From 3469f4d2473836815346c138bd359581b6aa9292 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 24 May 2021 10:29:41 -0700
Subject: [PATCH 001/250] Point to FindRMF CMake file

---
 doc/manual/outoftree.md  | 10 ++++++++++
 doc/manual/uselibrary.md |  7 ++++++-
 2 files changed, 16 insertions(+), 1 deletion(-)

diff --git a/doc/manual/outoftree.md b/doc/manual/outoftree.md
index ca2951751d..9592dbfe5b 100644
--- a/doc/manual/outoftree.md
+++ b/doc/manual/outoftree.md
@@ -50,6 +50,16 @@ not put in the `tools` directory) and the second argument to
 being built under the `modules` directory, this second argument should
 be omitted - the module names will match those of the subdirectories.)
 
+If you also need to use [RMF](https://integrativemodeling.org/rmf/)
+this should be searched for separately; add the
+[FindRMF.cmake](https://github.com/salilab/npctransport/blob/develop/tools/FindRMF.cmake)
+file and add a suitable `find_package` call to `CMakeLists.txt` after the
+search for %IMP. A suitable `CMakeLists.txt` can be found in the
+[npctransport repository](https://github.com/salilab/npctransport/blob/develop/CMakeLists.txt).
+This is needed because while RMF is often bundled with %IMP, it can also be
+installed separately (this is the case, for example, with some of the
+Anaconda packages).
+
 ## Building
 
 The module can now be built like any other CMake project - i.e. make a
diff --git a/doc/manual/uselibrary.md b/doc/manual/uselibrary.md
index 8c0de1cc8e..5ca36e7cf3 100644
--- a/doc/manual/uselibrary.md
+++ b/doc/manual/uselibrary.md
@@ -19,7 +19,8 @@ The `IMPConfig.cmake` file defines a number of CMake variables:
 - `IMP_xxx_LIBRARY`: the full path to the dynamic library for the `xxx` module
   (for example `IMP_kernel_LIBRARY` points to the IMP kernel and
   `IMP_atom_LIBRARY` to the IMP::atom library).
-- `RMF_INCLUDE_PATH`: the path containing RMF C++ headers.
+- `RMF_INCLUDE_PATH`: the path containing RMF C++ headers (if RMF is
+  bundled with %IMP).
 - `IMP_DATA_DIR`: the path containing %IMP data files.
 - `IMP_SWIG_DIR`: the path containing SWIG `.i` files for all %IMP modules.
 
@@ -31,6 +32,10 @@ file is provided to help CMake find this %IMP configuration (using the
 [find_package](https://cmake.org/cmake/help/v3.13/command/find_package.html)
 command), and can be used in other CMake projects. 
 
+If you also need to use [RMF](https://integrativemodeling.org/rmf/)
+this should be searched for separately using a
+[FindRMF.cmake](https://github.com/salilab/npctransport/blob/develop/tools/FindRMF.cmake) file. See the [npctransport repository](https://github.com/salilab/npctransport/blob/develop/CMakeLists.txt) for example usage.
+
 See also the tutorial on
 [using IMP as a C++ library](https://integrativemodeling.org/tutorials/using_cpp/)
 for a worked example of using %IMP in a CMake project.

From 23bd66536bddf69f14172a3840e2cf5c56123c35 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 24 May 2021 10:46:28 -0700
Subject: [PATCH 002/250] Don't imply that we're using RMF CMake files

We now use IMP's own copy of the CMake modules,
so drop the RMF_ prefix from the corresponding
CMake variables.
---
 CMakeLists.txt           | 12 ++++++------
 tools/cmake/UseIMP.cmake | 16 ++++++++--------
 2 files changed, 14 insertions(+), 14 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 96623a9ea7..e263266964 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -442,7 +442,7 @@ endif(IMP_DOXYGEN_FOUND)
 file(WRITE ${CMAKE_BINARY_DIR}/IMPConfig.cmake
      "set(IMP_INSTALL_PREFIX \"${CMAKE_BINARY_DIR}\" )\n"
      "set(IMP_TOOLS_DIR \"${CMAKE_SOURCE_DIR}/tools\" )\n"
-     "set(IMP_MODULES_DIR \"${CMAKE_SOURCE_DIR}/tools/cmake\" )\n"
+     "set(IMP_USE_DIR \"${CMAKE_SOURCE_DIR}/tools/cmake\" )\n"
      "set(IMP_BUILD_INFO_DIR \"${CMAKE_BINARY_DIR}/build_info\" )\n"
      "set(IMP_INCLUDE_DIR \"${CMAKE_BINARY_DIR}/include\" )\n"
      "set(IMP_BIN_DIR \"${CMAKE_BINARY_DIR}/bin\" )\n"
@@ -451,14 +451,14 @@ file(WRITE ${CMAKE_BINARY_DIR}/IMPConfig.cmake
      "set(IMP_DATA_DIR \"${CMAKE_BINARY_DIR}/data\" )\n"
      "set(IMP_SWIG_DIR \"${CMAKE_BINARY_DIR}/swig\" )\n"
      "set(RMF_SWIG_DIR \"${CMAKE_SOURCE_DIR}/modules/rmf/dependency/RMF/swig\" )\n"
-     "set(RMF_MODULES_DIR \"${CMAKE_SOURCE_DIR}/cmake_modules\" )\n"
+     "set(IMP_MODULES_DIR \"${CMAKE_SOURCE_DIR}/cmake_modules\" )\n"
      "set(RMF_INCLUDE_PATH \"${RMF_INCLUDE_PATH}\" )\n"
-     "set(IMP_USE_FILE \"\${IMP_MODULES_DIR}/UseIMP.cmake\" )\n")
+     "set(IMP_USE_FILE \"\${IMP_USE_DIR}/UseIMP.cmake\" )\n")
 # Installed locations
 file(WRITE ${CMAKE_BINARY_DIR}/cmake/IMPConfig.cmake
      "set(IMP_INSTALL_PREFIX \"${CMAKE_INSTALL_PREFIX}\" )\n"
      "set(IMP_TOOLS_DIR \"${CMAKE_INSTALL_FULL_TOOLSDIR}\" )\n"
-     "set(IMP_MODULES_DIR \"${CMAKE_INSTALL_FULL_CMAKEDIR}\" )\n"
+     "set(IMP_USE_DIR \"${CMAKE_INSTALL_FULL_CMAKEDIR}\" )\n"
      "set(IMP_BUILD_INFO_DIR \"${CMAKE_INSTALL_FULL_BUILDINFODIR}\" )\n"
      "set(IMP_INCLUDE_DIR \"${CMAKE_INSTALL_FULL_INCLUDEDIR}\" )\n"
      "set(IMP_BIN_DIR \"${CMAKE_INSTALL_FULL_BINDIR}\" )\n"
@@ -467,9 +467,9 @@ file(WRITE ${CMAKE_BINARY_DIR}/cmake/IMPConfig.cmake
      "set(IMP_DATA_DIR \"${CMAKE_INSTALL_FULL_DATADIR}/IMP\" )\n"
      "set(IMP_SWIG_DIR \"${CMAKE_INSTALL_FULL_SWIGDIR}\" )\n"
      "set(RMF_SWIG_DIR \"${CMAKE_INSTALL_FULL_SWIGDIR}\" )\n"
-     "set(RMF_MODULES_DIR \"${CMAKE_INSTALL_FULL_CMAKEDIR}\" )\n"
+     "set(IMP_MODULES_DIR \"${CMAKE_INSTALL_FULL_CMAKEDIR}\" )\n"
      "set(RMF_INCLUDE_PATH \"${CMAKE_INSTALL_FULL_INCLUDEDIR}\" )\n"
-     "set(IMP_USE_FILE \"\${IMP_MODULES_DIR}/UseIMP.cmake\" )\n")
+     "set(IMP_USE_FILE \"\${IMP_USE_DIR}/UseIMP.cmake\" )\n")
 list(REMOVE_DUPLICATES IMP_ALL_DEPENDS_VARS)
 foreach(cmakefile ${CMAKE_BINARY_DIR}/IMPConfig.cmake
                   ${CMAKE_BINARY_DIR}/cmake/IMPConfig.cmake)
diff --git a/tools/cmake/UseIMP.cmake b/tools/cmake/UseIMP.cmake
index ab04c72415..9e91dc2c61 100644
--- a/tools/cmake/UseIMP.cmake
+++ b/tools/cmake/UseIMP.cmake
@@ -11,12 +11,12 @@
 if(NOT USE_IMP_FILE_INCLUDED)
   set(USE_IMP_FILE_INCLUDED 1)
 
-  set(CMAKE_MODULE_PATH ${CMAKE_MODULE_PATH} ${RMF_MODULES_DIR})
+  set(CMAKE_MODULE_PATH ${CMAKE_MODULE_PATH} ${IMP_MODULES_DIR})
 
-  include(${RMF_MODULES_DIR}/IMPExecuteProcess.cmake)
-  include(${RMF_MODULES_DIR}/IMPAddTests.cmake)
-  include(${RMF_MODULES_DIR}/CheckCompiles.cmake)
-  include(${RMF_MODULES_DIR}/IMPFindPython.cmake)
+  include(${IMP_MODULES_DIR}/IMPExecuteProcess.cmake)
+  include(${IMP_MODULES_DIR}/IMPAddTests.cmake)
+  include(${IMP_MODULES_DIR}/CheckCompiles.cmake)
+  include(${IMP_MODULES_DIR}/IMPFindPython.cmake)
 
 endif()
 
@@ -34,8 +34,8 @@ function(imp_build_module sourcedir)
   endif()
 
   # Use same compiler flags as IMP itself
-  include(${RMF_MODULES_DIR}/IMPFindC++11.cmake)
-  include(${RMF_MODULES_DIR}/IMPFindCompilerFlags.cmake)
+  include(${IMP_MODULES_DIR}/IMPFindC++11.cmake)
+  include(${IMP_MODULES_DIR}/IMPFindCompilerFlags.cmake)
 
   # Add include directories of mandatory IMP dependencies
   include_directories(SYSTEM ${Boost_INCLUDE_DIR})
@@ -216,7 +216,7 @@ function(imp_build_module sourcedir)
        "    exec(fh.read())\n"
        "del __oldpathlen, extend_path\n")
 
-  include(${RMF_MODULES_DIR}/InstallDeref.cmake)
+  include(${IMP_MODULES_DIR}/InstallDeref.cmake)
 
   # Install headers
   install_deref(${CMAKE_BINARY_DIR}/include/IMP *

From 5883f3ac5d2fdf9debace1357ff43062ff602c73 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 24 May 2021 12:14:47 -0700
Subject: [PATCH 003/250] Squashed 'cmake_modules/' changes from
 94539adbc6..c80a68d422

c80a68d422 Use clang not Darwin version to detect c++14 support

git-subtree-dir: cmake_modules
git-subtree-split: c80a68d422a11e87ddc9f2a65fe7e1f7aa4e61cc
---
 cmake_modules/IMPFindC++11.cmake | 10 ++++++++--
 1 file changed, 8 insertions(+), 2 deletions(-)

diff --git a/cmake_modules/IMPFindC++11.cmake b/cmake_modules/IMPFindC++11.cmake
index a60e41975a..bf55e3d2fc 100644
--- a/cmake_modules/IMPFindC++11.cmake
+++ b/cmake_modules/IMPFindC++11.cmake
@@ -29,8 +29,14 @@ if(IMP_CXX11)
       set(IMP_CXX11_FLAGS "--std=c++0x" CACHE INTERNAL "" FORCE)
     endif()
   elseif("${CMAKE_CXX_COMPILER_ID}" MATCHES "Clang")
-    # Modern clang uses C++14 by default; don't force older C++11
-    if(APPLE AND DARWIN_VERSION GREATER 18)
+    execute_process(COMMAND ${CMAKE_CXX_COMPILER} --version
+                    OUTPUT_VARIABLE CLANG_VERSION)
+    if(CLANG_VERSION MATCHES "clang version ([0-9.]+)")
+      set(CLANG_VERSION ${CMAKE_MATCH_1})
+    endif()
+    message(STATUS "clang version: ${CLANG_VERSION}")
+    # Modern clang (6 or later) uses C++14 by default; don't force older C++11
+    if(CLANG_VERSION VERSION_GREATER 6.0)
       message(STATUS "Using clang C++11 (or later) support")
     # c++11's std::move (which boost/CGAL use) doesn't work until
     # OS X 10.9 (Darwin version 13)

From 8a546337df8804c1ac430c632e05dbddeebe465d Mon Sep 17 00:00:00 2001
From: Ilan E Chemmama <ilan.chemmama@ucsf.edu>
Date: Tue, 25 May 2021 11:48:50 -0700
Subject: [PATCH 004/250] Made window_size a function argument

---
 modules/em/include/BayesEM3D.h                        | 11 ++++++++---
 modules/em/include/FitRestraintBayesEM3D.h            |  5 +++--
 modules/em/src/BayesEM3D.cpp                          |  7 +++----
 modules/em/src/FitRestraintBayesEM3D.cpp              |  7 ++++---
 .../em/test/expensive_test_bayesem3d_derivatives.py   |  2 +-
 5 files changed, 19 insertions(+), 13 deletions(-)

diff --git a/modules/em/include/BayesEM3D.h b/modules/em/include/BayesEM3D.h
index 707e681589..d9ecefc1b9 100644
--- a/modules/em/include/BayesEM3D.h
+++ b/modules/em/include/BayesEM3D.h
@@ -71,7 +71,8 @@ IMPEMEXPORT std::vector<double> bayesem3d_get_value_no_deriv(
 //! Compute a generated EM density map given particles.
 //! Header and box size is copied from reference EM density map
 IMPEMEXPORT DensityMap *bayesem3d_get_density_from_particle(
-    DensityMap *em, const IMP::ParticlesTemp &ps, double resolution);
+    DensityMap *em, const IMP::ParticlesTemp &ps,
+    double resolution, const double window_size = 1.0);
 
 //! Compute a normalized cross-correlation coefficient
 IMPEMEXPORT double bayesem3d_get_cross_correlation_coefficient(const DensityMap *em1,
@@ -95,12 +96,16 @@ IMPEMEXPORT double bayesem3d_get_cross_correlation_coefficient(const DensityMap
       \param[in] sigma The expected variance of the difference between
       the normalized EM density map and the tested model.
 
+      \param[in] window_size The size of the window to extend
+      the blur of the model
+
       \return a numerically stable value for the score and its derivatives.
 
 */
 IMPEMEXPORT std::pair<double, algebra::Vector3Ds>
-bayesem3d_get_score_and_derivative(DensityMap *em, const IMP::ParticlesTemp &ps,
-                                   double resolution, double sigma);
+bayesem3d_get_score_and_derivative(DensityMap *em, 
+  const IMP::ParticlesTemp &ps, double resolution,
+  double sigma, const double window_size = 1.0);
 
 //! Normalization of an EM map by histogram matching against
 //! the CDF of the EM map generated from a set of particles.
diff --git a/modules/em/include/FitRestraintBayesEM3D.h b/modules/em/include/FitRestraintBayesEM3D.h
index 0815cc4ea6..dd9b0a741e 100644
--- a/modules/em/include/FitRestraintBayesEM3D.h
+++ b/modules/em/include/FitRestraintBayesEM3D.h
@@ -43,7 +43,8 @@ class IMPEMEXPORT FitRestraintBayesEM3D : public Restraint {
   //! Constructor
   FitRestraintBayesEM3D(ParticlesTemp ps, DensityMap *em_map,
                         FloatKey weight_key = atom::Mass::get_mass_key(),
-                        bool use_rigid_bodies = true, double sigma = .1);
+                        bool use_rigid_bodies = true, double sigma = .1, 
+                        double window_size = 1.0);
 
   virtual double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const
       IMP_OVERRIDE;
@@ -55,7 +56,7 @@ class IMPEMEXPORT FitRestraintBayesEM3D : public Restraint {
   double resolution_;
   double voxel_size_;
   double sigma_;
-
+  double window_size_;
   // reference to the IMP environment
   core::XYZs xyzs_;
 
diff --git a/modules/em/src/BayesEM3D.cpp b/modules/em/src/BayesEM3D.cpp
index 64deb62d06..a83d807ab0 100644
--- a/modules/em/src/BayesEM3D.cpp
+++ b/modules/em/src/BayesEM3D.cpp
@@ -31,8 +31,6 @@ namespace {
     for (typename M::const_iterator it = m.begin(); it != m.end(); ++it)
       v.push_back(it->second);
   }
-
-  const double window_size = 1.0;
 }  // anonymous namespace
 
 
@@ -281,7 +279,8 @@ double bayesem3d_get_cross_correlation_coefficient(const DensityMap *em1,
 
 DensityMap *bayesem3d_get_density_from_particle(DensityMap *em,
                                                 const IMP::ParticlesTemp &ps,
-                                                double resolution) {
+                                                double resolution,
+                                                const double window_size) {
   const DensityHeader *em_header = em->get_header();
   IMP::algebra::BoundingBox3D density_bb = get_bounding_box(em);
   IMP::em::KernelParameters kps(resolution);
@@ -340,7 +339,7 @@ DensityMap *bayesem3d_get_density_from_particle(DensityMap *em,
 
 std::pair<double, algebra::Vector3Ds> bayesem3d_get_score_and_derivative(
     DensityMap *em, const IMP::ParticlesTemp &ps, double resolution,
-    double sigma) {
+    double sigma, const double window_size) {
   const DensityHeader *em_header = em->get_header();
   const double *em_data = em->get_data();
 
diff --git a/modules/em/src/FitRestraintBayesEM3D.cpp b/modules/em/src/FitRestraintBayesEM3D.cpp
index 225182e43c..7fa9ab50ca 100644
--- a/modules/em/src/FitRestraintBayesEM3D.cpp
+++ b/modules/em/src/FitRestraintBayesEM3D.cpp
@@ -24,7 +24,8 @@ FitRestraintBayesEM3D::FitRestraintBayesEM3D(ParticlesTemp ps,
                                              DensityMap *em_map,
                                              FloatKey weight_key,
                                              bool use_rigid_bodies,
-                                             double sigma)
+                                             double sigma, 
+                                             double window_size)
     : Restraint(IMP::internal::get_model(ps), "Fit restraint BayesEM3D %1%") {
   target_dens_map_ = em_map;
   ps_ = get_as<Particles>(ps);
@@ -35,7 +36,7 @@ FitRestraintBayesEM3D::FitRestraintBayesEM3D(ParticlesTemp ps,
 
   weight_key_ = weight_key;
   sigma_ = sigma;
-
+  window_size_ = window_size;
   score_ = 0.;
   dv_.insert(dv_.end(), ps_.size(), algebra::Vector3D(0., 0., 0.));
 }
@@ -47,7 +48,7 @@ double FitRestraintBayesEM3D::unprotected_evaluate(
   std::pair<double, algebra::Vector3Ds> vals =
       IMP::em::bayesem3d_get_score_and_derivative(
           const_cast<DensityMap *>(target_dens_map_.get()), ps_, resolution_,
-          sigma_);
+          sigma_, window_size_);
 
   score_ = vals.first;
   dv_ = vals.second;
diff --git a/modules/em/test/expensive_test_bayesem3d_derivatives.py b/modules/em/test/expensive_test_bayesem3d_derivatives.py
index 0f069f7d35..783df224cf 100644
--- a/modules/em/test/expensive_test_bayesem3d_derivatives.py
+++ b/modules/em/test/expensive_test_bayesem3d_derivatives.py
@@ -26,7 +26,7 @@ def __init__(self, model, ps, dmap, weight_keys, resolution, sigma):
         dh = self.dmap.get_header()
         dh.set_resolution(resolution)
         fr = IMP.em.FitRestraintBayesEM3D(
-            self.ps, self.dmap, weight_keys, True, self.sigma)
+            self.ps, self.dmap, weight_keys, True, self.sigma, 1.0)
 
         self.rs = IMP.RestraintSet(self.model, "EMFitRestraintBayesEM3D")
         self.rs.add_restraint(fr)

From a315178a72c8ed61fad3a472c6acdbe3d33d15c7 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 25 May 2021 18:00:33 -0700
Subject: [PATCH 005/250] Find libxxx libraries on Windows

Most libraries on Windows just name the DLL using
the name of the library, e.g. RMF.dll, thus CMake
does not search for a possible 'lib' prefix. This
results in it failing to find libprotobuf.lib.
Work around by explicitly checking for a lib prefix.
---
 tools/build/cmake_templates/Dependency.cmake | 19 ++++++++++++++-----
 1 file changed, 14 insertions(+), 5 deletions(-)

diff --git a/tools/build/cmake_templates/Dependency.cmake b/tools/build/cmake_templates/Dependency.cmake
index 3df09ad639..dccee68fb1 100644
--- a/tools/build/cmake_templates/Dependency.cmake
+++ b/tools/build/cmake_templates/Dependency.cmake
@@ -22,12 +22,21 @@ find_path("%(PKGNAME)s_INCLUDE_DIR"
 )
 
 # Finally the library itself
+# On Windows CMake does not search the 'lib' prefix, so manually add that;
+# otherwise it will fail to find, e.g. libprotobuf.lib
 foreach(lib %(libraries)s)
-find_library("${lib}_LIBRARY"
-  NAMES ${lib}
-  PATHS ${%(PKGNAME)s_PKGCONF_LIBRARY_DIRS}
-)
-list(APPEND %(PKGNAME)s_LIBRARY "${${lib}_LIBRARY}")
+  if(WIN32)
+    find_library("${lib}_LIBRARY"
+      NAMES ${lib} lib${lib}
+      PATHS ${%(PKGNAME)s_PKGCONF_LIBRARY_DIRS}
+    )
+  else()
+    find_library("${lib}_LIBRARY"
+      NAMES ${lib}
+      PATHS ${%(PKGNAME)s_PKGCONF_LIBRARY_DIRS}
+    )
+  endif()
+  list(APPEND %(PKGNAME)s_LIBRARY "${${lib}_LIBRARY}")
 endforeach(lib)
 
 

From abd9a053ae9d01fe3db25d5562cdf49c343fdf51 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 25 May 2021 18:03:54 -0700
Subject: [PATCH 006/250] Don't use templated std::swap

Visual Studio 2017 refused to compile our
previous use of std::swap<someclass>. Replace
by calling the someclass.swap() method instead.
---
 modules/core/src/IncrementalScoringFunction.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/core/src/IncrementalScoringFunction.cpp b/modules/core/src/IncrementalScoringFunction.cpp
index 416619a5ba..0a14cc1eab 100644
--- a/modules/core/src/IncrementalScoringFunction.cpp
+++ b/modules/core/src/IncrementalScoringFunction.cpp
@@ -293,6 +293,6 @@ ModelObjectsTemp IncrementalScoringFunction::do_get_inputs() const {
 IncrementalScoringFunction::ScoringFunctionsMap::~ScoringFunctionsMap() {
   // move it to a temp so a second attempt to destroy it succeeds
   boost::unordered_map<ParticleIndex, Data> t;
-  std::swap<boost::unordered_map<ParticleIndex, Data> >(*this, t);
+  t.swap(*this);
 }
 IMPCORE_END_NAMESPACE

From 07cf26b58d0a80491d228d568b6d50feddde85cc Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 25 May 2021 18:07:02 -0700
Subject: [PATCH 007/250] Don't try to export from the anonymous namespace

EXPORT macros are intended for classes that form part
of the API, not for those in the anonymous namespace.
Visual Studio 2017 will refuse to compile this usage.
---
 modules/domino/src/subset_filters.cpp | 2 +-
 modules/rmf/src/restraint_io.cpp      | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/modules/domino/src/subset_filters.cpp b/modules/domino/src/subset_filters.cpp
index 03f4f5f951..c224fe7780 100644
--- a/modules/domino/src/subset_filters.cpp
+++ b/modules/domino/src/subset_filters.cpp
@@ -25,7 +25,7 @@ namespace {
 /** A minimum restraint score based SubsetFilter.
     See MinimumRestraintScoreSubsetFilterTable.
  */
-class IMPDOMINOEXPORT MinimumRestraintScoreSubsetFilter : public SubsetFilter {
+class MinimumRestraintScoreSubsetFilter : public SubsetFilter {
   Pointer<RestraintCache> rc_;
   RestraintsTemp rs_;
   Slices slices_;
diff --git a/modules/rmf/src/restraint_io.cpp b/modules/rmf/src/restraint_io.cpp
index 4c7aeb3f5e..6245a5a91f 100644
--- a/modules/rmf/src/restraint_io.cpp
+++ b/modules/rmf/src/restraint_io.cpp
@@ -32,7 +32,7 @@ class RMFRestraint;
 IMP_OBJECTS(RMFRestraint, RMFRestraints);
 /** A dummy restraint object to represent restraints loaded from
     an RMF file.*/
-class IMPRMFEXPORT RMFRestraint : public Restraint {
+class RMFRestraint : public Restraint {
   ParticlesTemp ps_;
   PointerMember<RestraintInfo> info_;
 

From d532e8bd4e052fa4dda0f955c89e98158a7347d3 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 26 May 2021 21:29:35 -0700
Subject: [PATCH 008/250] Update our workaround for Boost 1.76

---
 modules/statistics/src/internal/centrality_clustering.cpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/modules/statistics/src/internal/centrality_clustering.cpp b/modules/statistics/src/internal/centrality_clustering.cpp
index b8e79e0cbc..94149764d7 100644
--- a/modules/statistics/src/internal/centrality_clustering.cpp
+++ b/modules/statistics/src/internal/centrality_clustering.cpp
@@ -30,11 +30,11 @@ using graph::has_no_edges;
 
 // Add workaround for https://github.com/boostorg/graph/issues/175
 // (Note that this may not be the right #if condition; we have only seen
-// the issue with Boost 1.71 through 1.75 on Macs with Homebrew, but other
+// the issue with Boost 1.71 through 1.76 on Macs with Homebrew, but other
 // systems may be affected.)
 #if defined(__clang__) && BOOST_VERSION >= 107100 && BOOST_VERSION <= 107200
 # include "our_bc_clustering.hpp"
-#elif defined(__clang__) && BOOST_VERSION >= 107300 && BOOST_VERSION <= 107500
+#elif defined(__clang__) && BOOST_VERSION >= 107300 && BOOST_VERSION <= 107600
 # include "our_bc_clustering_1_73.hpp"
 #else
 # include <boost/graph/bc_clustering.hpp>

From a0158fa1af0216b1f5d2fff1e80f9b18e1816632 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 4 Jun 2021 16:42:49 -0700
Subject: [PATCH 009/250] Fix removal of IMP example application

Fix name of 'example' binary so that it is correctly
removed from the RPM. We also no longer include
systems, so no need to prune those.
---
 tools/rpm/IMP.spec.in | 10 +++-------
 1 file changed, 3 insertions(+), 7 deletions(-)

diff --git a/tools/rpm/IMP.spec.in b/tools/rpm/IMP.spec.in
index 140e1c67bb..41608a8aa6 100644
--- a/tools/rpm/IMP.spec.in
+++ b/tools/rpm/IMP.spec.in
@@ -435,14 +435,10 @@ cp /usr/%{_lib}/libCGAL.so.10 ${RPM_BUILD_ROOT}%{_libdir}/IMP/
 %endif
 %endif
 
-# Don't distribute example application, dependency, or system
-pydir=${RPM_BUILD_ROOT}%{_libdir}/%{default_python}*/site-packages
-rm -rf ${RPM_BUILD_ROOT}%{_prefix}/bin/example \
-       ${RPM_BUILD_ROOT}%{_libdir}/libimp_example_system* \
+# Don't distribute example application or dependency
+rm -rf ${RPM_BUILD_ROOT}%{_prefix}/bin/imp_example_app \
        ${RPM_BUILD_ROOT}%{_libdir}/libexample* \
-       ${RPM_BUILD_ROOT}%{_prefix}/include/example* \
-       ${pydir}/IMP/example_system_local \
-       ${pydir}/_IMP_example_system_local.so
+       ${RPM_BUILD_ROOT}%{_prefix}/include/example*
 
 # Make sure all Python applications and build tools use the same Python
 # we built with

From 9dd5998122f129798167d29212298ebc016d8412 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Sat, 5 Jun 2021 12:43:18 -0700
Subject: [PATCH 010/250] Make sure that imp_example_app is not distributed

---
 tools/nightly-tests/test-install/test_mock.py | 5 ++++-
 1 file changed, 4 insertions(+), 1 deletion(-)

diff --git a/tools/nightly-tests/test-install/test_mock.py b/tools/nightly-tests/test-install/test_mock.py
index cae96d2654..ca3b247228 100644
--- a/tools/nightly-tests/test-install/test_mock.py
+++ b/tools/nightly-tests/test-install/test_mock.py
@@ -64,7 +64,7 @@ def test_applications_installed(self):
         apps = ['cluster_profiles', 'cnmultifit',
                 'complex_to_anchor_graph', 'compute_chi',
                 'estimate_threshold_from_molecular_mass', 'foxs',
-                'imp_example_app', 'ligand_score', 'map2pca', 'mol2pca',
+                'ligand_score', 'map2pca', 'mol2pca',
                 'multifit', 'pdb_check', 'pdb_rmf', 'resample_density',
                 'compute_rg', 'rmf3_dump', 'rmf_cat', 'rmf_display',
                 'rmf_frames', 'rmf_info', 'rmf_interpolate', 'rmf_pdb',
@@ -88,6 +88,9 @@ def test_applications_installed(self):
             self.assertTrue(ret == 1 or ret == 0,
                             "Return code for %s app is %d, not 0 or 1; "
                             "output is %s" % (app, ret, out))
+        # We no longer distribute the example app
+        self.assertRaises(OSError, subprocess.Popen, ['imp_example_app'],
+                          stdout=subprocess.PIPE, stderr=subprocess.STDOUT)
 
 
 if __name__ == '__main__':

From 7ff71086a3745618fc9439106764571f9610b69b Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Sun, 6 Jun 2021 11:22:08 -0700
Subject: [PATCH 011/250] Fix removal of example app

---
 tools/debian/rules        | 9 +++------
 tools/w32/make-package.sh | 9 +++------
 2 files changed, 6 insertions(+), 12 deletions(-)

diff --git a/tools/debian/rules b/tools/debian/rules
index 82d75452de..acb1d8fcd0 100755
--- a/tools/debian/rules
+++ b/tools/debian/rules
@@ -71,13 +71,10 @@ override_dh_install:
 	 && symlinks -rc .)
 	# Make sure all Python applications use the system Python in /usr/bin
 	perl -pi -e 's@^#!.*python.*$$@#!/usr/bin/python3@' debian/tmp/usr/bin/*
-	# Don't distribute example application, dependency, or system
-	rm -rf debian/tmp/usr/bin/example \
-	       debian/tmp/usr/lib/*/libimp_example_system* \
+	# Don't distribute example application or dependency
+	rm -rf debian/tmp/usr/bin/imp_example_app \
 	       debian/tmp/usr/lib/*/libexample* \
-	       debian/tmp/usr/include/example* \
-	       debian/tmp/usr/lib/python*/IMP/example_system_local \
-	       debian/tmp/usr/lib/python*/_IMP_example_system_local.so
+	       debian/tmp/usr/include/example*
 	dh_install --fail-missing
 
 override_dh_compress:
diff --git a/tools/w32/make-package.sh b/tools/w32/make-package.sh
index 46c629a2a2..b93e3bcfb3 100755
--- a/tools/w32/make-package.sh
+++ b/tools/w32/make-package.sh
@@ -95,16 +95,13 @@ rmdir ${ROOT}/pylib || exit 1
 perl -pi -e 's/from \. import _format/from _ihm_pyd import _format/' \
      ${ROOT}/python/ihm/format.py || exit 1
 
-# Remove scratch module and example application/system/dependency
+# Remove scratch module and example application/dependency
 # (if installed)
-rm -rf ${ROOT}/bin/example \
-       ${ROOT}/bin/libimp_example_system* \
+rm -rf ${ROOT}/bin/imp_example_app.exe \
        ${ROOT}/bin/libimp_scratch.* \
        ${ROOT}/bin/libexample* \
        ${ROOT}/include/example* \
-       ${ROOT}/python/IMP/scratch ${ROOT}/python/*/_IMP_scratch.pyd \
-       ${ROOT}/python/IMP/example_system_local \
-       ${ROOT}/python/*/_IMP_example_system_local.pyd
+       ${ROOT}/python/IMP/scratch ${ROOT}/python/*/_IMP_scratch.pyd
 
 # Remove any .svn directories
 rm -rf `find ${ROOT} -name .svn`

From 3a7cd0bab2fafe42534afbd73d92f51d17875bfa Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 7 Jun 2021 10:48:53 -0700
Subject: [PATCH 012/250] Don't try to install removed example binary

---
 tools/debian/make-imp-install.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/tools/debian/make-imp-install.py b/tools/debian/make-imp-install.py
index 83c995bcc8..cd9319067f 100755
--- a/tools/debian/make-imp-install.py
+++ b/tools/debian/make-imp-install.py
@@ -30,6 +30,7 @@ def python_only(m):
             fname, ext = os.path.splitext(b)
             if not fname.startswith('__') and ext in ('', '.cpp', '.py'):
                 non_mpi_binaries.append(fname)
+non_mpi_binaries.remove('imp_example_app')
 
 
 def subst_line(line, template, modules):

From da95b0f72e6c5eead0ad02743398ed593c4381a1 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 7 Jun 2021 13:16:46 -0700
Subject: [PATCH 013/250] Provide more info on adding dependencies

---
 doc/manual/extdepends.md | 56 +++++++++++++++++++++++++++++++++++++---
 1 file changed, 53 insertions(+), 3 deletions(-)

diff --git a/doc/manual/extdepends.md b/doc/manual/extdepends.md
index b5ae2b439e..168a405980 100644
--- a/doc/manual/extdepends.md
+++ b/doc/manual/extdepends.md
@@ -1,9 +1,15 @@
 Adding external dependencies {#extdepends}
 ============================
 
-You can have an %IMP module depend on some external library.
-See the files `modules/kernel/dependencies.py` and
-`modules/kernel/dependency/Log4CXX.description` for examples.
+[TOC]
+
+# Introduction # {#extdep_intro}
+
+You can have an %IMP module depend on some external library, for example
+to take advantage of a method implemented in that library, or to link
+%IMP with another piece of software at runtime.
+
+# Considerations # {#extdep_consider}
 
 Think very carefully before introducing a new external dependency. Each
 additional dependency makes it harder for people to use your code.
@@ -16,3 +22,47 @@ Generally if you need to add a new dependency you should probably also put
 your code in a new module, rather than adding it to an existing module. That
 way, people that elect not to install that dependency will only be deprived
 of your code, not of the existing module.
+
+# Simple dependencies # {#extdep_simple}
+
+The simplest way to add a C/C++ dependency `foo` is to create a file
+`foo.description` in the `dependency` subdirectory of your module. This is a
+simple text file containing several variables:
+
+- `headers`: a colon-separated list of any C/C++ headers that need to be
+  included to use the dependency.
+- `libraries`: a colon-separated list of any libraries that need to be
+  linked against to use the dependency. (There is a similar `extra_libraries`
+  variable, if needed, for libraries that aren't part of the dependency but
+  that need to also be linked in order for it to work.)
+- `body`: a fragment of C++ code that uses the dependency.
+
+When CMake is run, it will use the variables in `foo.description` to build
+a small test program in order to make sure the dependency is available and
+that it works. See `modules/kernel/dependency/GPerfTools.description` for
+an example.
+
+# More complex dependencies # {#extdep_complex}
+
+For more complex dependencies, you can also create a `foo.cmake` file
+containing arbitrary CMake instructions to configure the dependency. See for
+example `modules/rmf/dependency/RMF.cmake`.
+
+# Using the dependency # {#extdep_using}
+
+The next step in adding a `foo` dependency is to list `foo` in the module's
+`dependencies.py` file. `foo` can be listed either in that file's
+`required_dependencies` variable or in `optional_dependencies`, both of
+which are colon-separated lists of external dependencies. See for example
+`modules/kernel/dependencies.py`.
+
+If placed in `required_dependencies`, the module cannot be built unless your
+dependency is found. The module will be automatically linked against the
+dependency.
+
+If placed in `optional_dependencies`, the module can be built either with
+or without the dependency. If the dependency is available, a preprocessor
+macro will be set when the module is built; protect your code with that
+macro. For example, IMP::score_functor can be built with or without the
+HDF5 library. Any code that requires HDF5 is conditional on the
+`IMP_SCORE_FUNCTOR_USE_HDF5` preprocessor macro.

From a0d78a5164547219be165289fec5203c57e63fce Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 7 Jun 2021 13:31:31 -0700
Subject: [PATCH 014/250] Document Python-only modules

---
 doc/manual/mainpage.dox |  1 +
 doc/manual/pyonlymod.md | 18 ++++++++++++++++++
 2 files changed, 19 insertions(+)
 create mode 100644 doc/manual/pyonlymod.md

diff --git a/doc/manual/mainpage.dox b/doc/manual/mainpage.dox
index 38b9f2d40d..ed3db2ebf1 100644
--- a/doc/manual/mainpage.dox
+++ b/doc/manual/mainpage.dox
@@ -70,6 +70,7 @@ complex might want to skip ahead to
    - [Writing new code](@ref new_code)
    - [Working with source control](@ref scm)
    - [Adding external dependencies](@ref extdepends)
+   - [Python-only modules](@ref pyonlymod)
    - [Design example](@ref design_example)
    - [Tools for developers](@ref dev_tools)
    - [Documenting your code](@ref documenting)
diff --git a/doc/manual/pyonlymod.md b/doc/manual/pyonlymod.md
new file mode 100644
index 0000000000..092f6a628c
--- /dev/null
+++ b/doc/manual/pyonlymod.md
@@ -0,0 +1,18 @@
+Python-only modules {#pyonlymod}
+===================
+
+Most %IMP modules are mostly written in C++ and provide a Python wrapper.
+However, it is also possible to write modules entirely in Python. To do this,
+
+- add `python_only=True` to the module's `dependencies.py` file.
+- don't provide a SWIG input file (`swig.i-in`) in the module's `pyext`
+  directory (it will be ignored).
+- provide an `__init__.py` in the module's `pyext/src` directory if needed.
+- any programs in the module's `bin` subdirectory should be Python scripts.
+- utility C++ headers can still be provided in the module's `include` directory
+  but no `.cpp` files can be included in the `src` directory.
+
+The advantage of making a Python-only module is that it is much faster to
+build (since it does not need to be compiled).
+
+For good examples, see the `test`, `sampcon`, and `saxs_merge` modules.

From 8b526a7b0e870afc61a960ef24c3fe71ed26d016 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 8 Jun 2021 12:11:11 -0700
Subject: [PATCH 015/250] Remove deprecated predicate get_value()

Remove the get_value() method from
{Singleton,Pair,Triplet,Quad}Predicate, that takes
a Particle (or ParticlePair, etc.). This has
long been deprecated. Use get_value_index() instead.
---
 ChangeLog.md                                  |  5 +++++
 .../kernel/ClassnamePredicate.h               |  9 +--------
 .../container_templates/kernel/classnames.cpp | 20 -------------------
 3 files changed, 6 insertions(+), 28 deletions(-)

diff --git a/ChangeLog.md b/ChangeLog.md
index 968b79af0e..e93b8a2d90 100644
--- a/ChangeLog.md
+++ b/ChangeLog.md
@@ -1,6 +1,11 @@
 ChangeLog {#changelog}
 =========
 
+# HEAD
+- The deprecated methods
+  IMP::{Singleton,Pair,Triplet,Quad}Predicate::get_value() have been removed.
+  Use the get_value_index() methods instead.
+
 # 2.15.0 - 2021-06-02 # {#changelog_2_15_0}
 - The [Homebrew](https://brew.sh/) Mac packages now support Apple Silicon.
 - We no longer provide RPMs for CentOS 6, since it has reached end of life.
diff --git a/tools/build/container_templates/kernel/ClassnamePredicate.h b/tools/build/container_templates/kernel/ClassnamePredicate.h
index 8015ec8abd..1b332fca58 100644
--- a/tools/build/container_templates/kernel/ClassnamePredicate.h
+++ b/tools/build/container_templates/kernel/ClassnamePredicate.h
@@ -30,13 +30,6 @@ class IMPKERNELEXPORT ClassnamePredicate : public ParticleInputs,
   typedef VARIABLETYPE Argument;
   typedef INDEXTYPE IndexArgument;
   ClassnamePredicate(std::string name = "ClassnamePredicate %1%");
-  /** \deprecated_at{2.1} Use the index based version.*/
-  IMPKERNEL_DEPRECATED_METHOD_DECL(2.1)
-  virtual int get_value(ARGUMENTTYPE vt) const;
-
-  /** \deprecated_at{2.1} Use the index based version.*/
-  IMPKERNEL_DEPRECATED_METHOD_DECL(2.1)
-  virtual Ints get_value(const PLURALVARIABLETYPE &o) const;
 
 #if !defined(IMP_DOXYGEN) && !defined(SWIG)
   //! remove any particles in ps for which this predicate evaluates to v
@@ -48,7 +41,7 @@ class IMPKERNELEXPORT ClassnamePredicate : public ParticleInputs,
 #endif
 
   //! Compute the predicate and the derivative if needed.
-  virtual int get_value_index(Model *m, PASSINDEXTYPE vt) const;
+  virtual int get_value_index(Model *m, PASSINDEXTYPE vt) const = 0;
 
   //! Setup for a batch of calls to get_value_index_in_batch()
   //! (could be used for improving performance - e.g. preload various
diff --git a/tools/build/container_templates/kernel/classnames.cpp b/tools/build/container_templates/kernel/classnames.cpp
index 53e1216a4a..3760fc82ba 100644
--- a/tools/build/container_templates/kernel/classnames.cpp
+++ b/tools/build/container_templates/kernel/classnames.cpp
@@ -88,21 +88,6 @@ void ClassnamePredicate::remove_if_equal(Model *m, PLURALINDEXTYPE &ps,
                           make_predicate_equal(this, m, value)),
            ps.end());
 }
-Ints ClassnamePredicate::get_value(const PLURALVARIABLETYPE &o) const {
-  IMPKERNEL_DEPRECATED_METHOD_DEF(2.1, "Use index version");
-  if (o.empty()) return Ints();
-  Ints ret(o.size());
-  Model *m = internal::get_model(o[0]);
-  for (unsigned int i = 0; i < o.size(); ++i) {
-    ret[i] += get_value_index(m, internal::get_index(o[i]));
-  }
-  return ret;
-}
-
-int ClassnamePredicate::get_value_index(Model *m,
-                                        PASSINDEXTYPE vt) const {
-  return get_value(internal::get_particle(m, vt));
-}
 
 void ClassnamePredicate::remove_if_not_equal(Model *m,
                                              PLURALINDEXTYPE &ps,
@@ -112,11 +97,6 @@ void ClassnamePredicate::remove_if_not_equal(Model *m,
            ps.end());
 }
 
-int ClassnamePredicate::get_value(ARGUMENTTYPE vt) const {
-  IMPKERNEL_DEPRECATED_METHOD_DEF(2.1, "Use index version");
-  return get_value_index(internal::get_model(vt), internal::get_index(vt));
-}
-
 ClassnameScore::ClassnameScore(std::string name) : Object(name) {
   /* Implemented here rather than in the header so that PairScore
      symbols are present in the kernel DSO */

From c9ff95bc3cb9a6b6cfccea34b5a75d882de1f3c6 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 8 Jun 2021 12:45:59 -0700
Subject: [PATCH 016/250] Add missing word

---
 modules/container/include/ClosePairContainer.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/container/include/ClosePairContainer.h b/modules/container/include/ClosePairContainer.h
index 8f360820e2..7c3e2a21ea 100644
--- a/modules/container/include/ClosePairContainer.h
+++ b/modules/container/include/ClosePairContainer.h
@@ -135,7 +135,7 @@ IMP_OBJECTS(ClosePairContainer, ClosePairContainers);
     - the time taken to compute the close pairs as a function
     of slack size
 
-    For best results, make the particles start in a
+    For best results, make the particles start in a configuration
     that is "typical" for the optimization.
 */
 IMPCONTAINEREXPORT double get_slack_estimate(

From bf25a0163bdc90fc45ee6b420ad540a52685d52a Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 8 Jun 2021 13:39:46 -0700
Subject: [PATCH 017/250] Use particle indexes in get_slack_estimate()

Provide an overload of get_slack_estimate()
that uses particle indexes, and deprecate the
older function that uses Particle objects.
---
 modules/container/include/ClosePairContainer.h |  6 ++++++
 modules/container/src/ClosePairContainer.cpp   | 18 +++++++++++++++---
 2 files changed, 21 insertions(+), 3 deletions(-)

diff --git a/modules/container/include/ClosePairContainer.h b/modules/container/include/ClosePairContainer.h
index 7c3e2a21ea..2decd0c6b3 100644
--- a/modules/container/include/ClosePairContainer.h
+++ b/modules/container/include/ClosePairContainer.h
@@ -138,6 +138,12 @@ IMP_OBJECTS(ClosePairContainer, ClosePairContainers);
     For best results, make the particles start in a configuration
     that is "typical" for the optimization.
 */
+IMPCONTAINEREXPORT double get_slack_estimate(
+    Model *m, ParticleIndexes ps, double upper_bound, double step,
+    const RestraintsTemp &restraints, bool derivatives, Optimizer *opt,
+    ClosePairContainer *cpc);
+
+IMPCONTAINER_DEPRECATED_METHOD_DECL(2.16)
 IMPCONTAINEREXPORT double get_slack_estimate(
     const ParticlesTemp &ps, double upper_bound, double step,
     const RestraintsTemp &restraints, bool derivatives, Optimizer *opt,
diff --git a/modules/container/src/ClosePairContainer.cpp b/modules/container/src/ClosePairContainer.cpp
index 7da33ab450..0bbff44aae 100644
--- a/modules/container/src/ClosePairContainer.cpp
+++ b/modules/container/src/ClosePairContainer.cpp
@@ -39,7 +39,7 @@ struct Data {
 };
 }
 
-double get_slack_estimate(const ParticlesTemp &ps, double upper_bound,
+double get_slack_estimate(Model *m, ParticleIndexes ps, double upper_bound,
                           double step, const RestraintsTemp &restraints,
                           bool derivatives, Optimizer *opt,
                           ClosePairContainer *cpc) {
@@ -90,7 +90,7 @@ double get_slack_estimate(const ParticlesTemp &ps, double upper_bound,
   std::vector<std::vector<algebra::Vector3D> > pos(
       1, std::vector<algebra::Vector3D>(ps.size()));
   for (unsigned int j = 0; j < ps.size(); ++j) {
-    pos[0][j] = core::XYZ(ps[j]).get_coordinates();
+    pos[0][j] = core::XYZ(m, ps[j]).get_coordinates();
   }
   do {
     IMP_LOG_VERBOSE("Stepping from " << last_ns << " to " << ns << std::endl);
@@ -103,7 +103,7 @@ double get_slack_estimate(const ParticlesTemp &ps, double upper_bound,
     for (int i = last_ns; i < ns; ++i) {
       opt->optimize(1);
       for (unsigned int j = 0; j < ps.size(); ++j) {
-        pos[i][j] = core::XYZ(ps[j]).get_coordinates();
+        pos[i][j] = core::XYZ(m, ps[j]).get_coordinates();
       }
     }
     for (int i = last_ns; i < ns; ++i) {
@@ -185,4 +185,16 @@ double get_slack_estimate(const ParticlesTemp &ps, double upper_bound,
   return datas[opt_i].slack;
 }
 
+double get_slack_estimate(const ParticlesTemp &ps, double upper_bound,
+                          double step, const RestraintsTemp &restraints,
+                          bool derivatives, Optimizer *opt,
+                          ClosePairContainer *cpc) {
+  IMPCONTAINER_DEPRECATED_FUNCTION_DEF(
+        2.16, "Use the index-based function instead");
+  Model *m = ps[0]->get_model();
+  return get_slack_estimate(m, IMP::internal::get_index(ps),
+                            upper_bound, step, restraints, derivatives,
+                            opt, cpc);
+}
+
 IMPCONTAINER_END_NAMESPACE

From 0908e820fa5c0e41bb99e2cd40a4180a6a8cb979 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 8 Jun 2021 13:41:14 -0700
Subject: [PATCH 018/250] Use index-based container methods/functions

---
 modules/rmf/benchmark/benchmark_brownian.cpp | 5 +++--
 1 file changed, 3 insertions(+), 2 deletions(-)

diff --git a/modules/rmf/benchmark/benchmark_brownian.cpp b/modules/rmf/benchmark/benchmark_brownian.cpp
index 3b2d9b06fc..de9aaf77d7 100644
--- a/modules/rmf/benchmark/benchmark_brownian.cpp
+++ b/modules/rmf/benchmark/benchmark_brownian.cpp
@@ -185,7 +185,8 @@ double simulate(It it, int ns) {
 void update_slack_estimate(It it) {
   std::cout << "Estimating slack " << std::endl;
   Restraints rt = it.bd->get_scoring_function()->create_restraints();
-  double slack = get_slack_estimate(it.lsc->get_particles(), 20, 1,
+  double slack = get_slack_estimate(it.lsc->get_model(),
+                                    it.lsc->get_contents(), 20, 1,
                                     get_restraints(rt), true, it.bd, it.cpc);
   it.sp->set_value(FloatKey("slack"), slack);
 }
@@ -288,7 +289,7 @@ int main(int argc, char **argv) {
           std::cout << Showable(all[i]) << " " << all[i]->get_last_score()
                     << std::endl;
         }
-        std::cout << "Close pairs: " << it.cpc->get_particle_pairs()
+        std::cout << "Close pairs: " << it.cpc->get_contents()
                   << std::endl;
         create(it, fh);
       }

From 0fc8d9324966e889d0640d681eb0dda59f05aab8 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 8 Jun 2021 13:41:39 -0700
Subject: [PATCH 019/250] Remove particle-based container methods

---
 ChangeLog.md                                                | 5 +++++
 tools/build/container_templates/kernel/ClassnameContainer.h | 6 ------
 tools/build/container_templates/kernel/classnames.cpp       | 5 -----
 3 files changed, 5 insertions(+), 11 deletions(-)

diff --git a/ChangeLog.md b/ChangeLog.md
index e93b8a2d90..23ef36c580 100644
--- a/ChangeLog.md
+++ b/ChangeLog.md
@@ -5,6 +5,11 @@ ChangeLog {#changelog}
 - The deprecated methods
   IMP::{Singleton,Pair,Triplet,Quad}Predicate::get_value() have been removed.
   Use the get_value_index() methods instead.
+- The deprecated methods IMP::SingletonContainer::get_particles(),
+  IMP::PairContainer::get_particle_pairs(),
+  IMP::TripletContainer::get_particle_triplets(), and
+  IMP::QuadContainer::get_particle_quads() have been removed. Use the
+  get_contents() method instead.
 
 # 2.15.0 - 2021-06-02 # {#changelog_2_15_0}
 - The [Homebrew](https://brew.sh/) Mac packages now support Apple Silicon.
diff --git a/tools/build/container_templates/kernel/ClassnameContainer.h b/tools/build/container_templates/kernel/ClassnameContainer.h
index 45490f168f..a36d9b831a 100644
--- a/tools/build/container_templates/kernel/ClassnameContainer.h
+++ b/tools/build/container_templates/kernel/ClassnameContainer.h
@@ -106,12 +106,6 @@ class IMPKERNELEXPORT ClassnameContainer : public Container {
 #endif
 #endif
 
-  /** \deprecated_at{2.1}
-      Use get_contents() instead.
-   */
-  IMPKERNEL_DEPRECATED_METHOD_DECL(2.1)
-  PLURALVARIABLETYPE get_FUNCTIONNAMEs() const;
-
  protected:
   ClassnameContainer(Model *m,
                      std::string name = "ClassnameContainer %1%");
diff --git a/tools/build/container_templates/kernel/classnames.cpp b/tools/build/container_templates/kernel/classnames.cpp
index 3760fc82ba..89e7cf0907 100644
--- a/tools/build/container_templates/kernel/classnames.cpp
+++ b/tools/build/container_templates/kernel/classnames.cpp
@@ -33,11 +33,6 @@ ClassnameContainer::ClassnameContainer(Model *m, std::string name)
 // here for gcc
 ClassnameContainer::~ClassnameContainer() {}
 
-PLURALVARIABLETYPE ClassnameContainer::get_FUNCTIONNAMEs() const {
-  IMPKERNEL_DEPRECATED_METHOD_DEF(2.1, "Use get_contents()");
-  return IMP::internal::get_particle(get_model(), get_indexes());
-}
-
 bool ClassnameContainer::get_provides_access() const {
   validate_readable();
   return do_get_provides_access();

From 1a822f12cf2cf419b6a17d547ba34b389fe5f818 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 8 Jun 2021 19:03:56 -0700
Subject: [PATCH 020/250] Allow int-like objects as input from Python

Allow objects that are not Python int but
act like it as input to any method that
takes int (or a vector of int). This includes
numpy int types, for example.
---
 .../include/internal/swig_helpers_base.h      | 16 ++++++--
 modules/kernel/test/test_attributes.py        | 39 +++++++++++++++++++
 2 files changed, 52 insertions(+), 3 deletions(-)

diff --git a/modules/kernel/include/internal/swig_helpers_base.h b/modules/kernel/include/internal/swig_helpers_base.h
index 5ff43a7628..6c2a2702ad 100644
--- a/modules/kernel/include/internal/swig_helpers_base.h
+++ b/modules/kernel/include/internal/swig_helpers_base.h
@@ -585,13 +585,23 @@ struct Convert<int> {
     } else if (PyLong_Check(o)) {
       return PyLong_AsLong(o);
     } else {
-      IMP_THROW(get_convert_error("Wrong type", symname, argnum, argtype),
-                TypeException);
+      long ret = PyLong_AsLong(o);
+#if PY_VERSION_HEX < 0x03000000
+      if (ret == -1 && PyErr_Occurred()) {
+        ret = PyInt_AsLong(o);
+      }
+#endif
+      if (ret != -1 || !PyErr_Occurred()) {
+        return ret;
+      } else {
+        IMP_THROW(get_convert_error("Wrong type", symname, argnum, argtype),
+                  TypeException);
+      }
     }
   }
   template <class SwigData>
   static bool get_is_cpp_object(PyObject* o, SwigData, SwigData, SwigData) {
-    return PyLong_Check(o) || PyInt_Check(o);
+    return PyLong_Check(o) || PyInt_Check(o) || PyNumber_Check(o);
   }
   template <class SwigData>
   static PyObject* create_python_object(int f, SwigData, int) {
diff --git a/modules/kernel/test/test_attributes.py b/modules/kernel/test/test_attributes.py
index 01a641edc2..682a93fddd 100644
--- a/modules/kernel/test/test_attributes.py
+++ b/modules/kernel/test/test_attributes.py
@@ -1,5 +1,6 @@
 import IMP
 import IMP.test
+import sys
 
 
 xkey = IMP.FloatKey("x")
@@ -9,6 +10,25 @@
 radkey = IMP.FloatKey("radius")
 
 
+class IntLike(object):
+    def __init__(self, val):
+        self.val = val
+    def __int__(self):
+        return self.val
+    def __index__(self):
+        return self.val
+
+
+if sys.version_info[0] == 2:
+    class LongLike(object):
+        def __init__(self, val):
+            self.val = val
+        def __index__(self):
+            return self.val
+        def __long__(self):
+            return self.val
+
+
 class Tests(IMP.test.TestCase):
 
     """Test particles"""
@@ -27,5 +47,24 @@ def test_no_model(self):
         m.add_attribute(pik, p.get_index(), p.get_index())
         self.assertEqual(m.get_attribute(pik, p.get_index()), p.get_index())
 
+    def test_intlike(self):
+        """Test int-like objects as attributes"""
+        m = IMP.Model()
+        p = IMP.Particle(m)
+        ik = IMP.IntKey("hi")
+        isk = IMP.IntsKey("hi")
+        m.add_attribute(ik, p.get_index(), IntLike(1))
+        self.assertEqual(m.get_attribute(ik, p.get_index()), 1)
+        if sys.version_info[0] == 2:
+            m.set_attribute(ik, p.get_index(), LongLike(42))
+            self.assertEqual(m.get_attribute(ik, p.get_index()), 42)
+
+        m.add_attribute(isk, p.get_index(), [IntLike(9)])
+        self.assertEqual(m.get_attribute(isk, p.get_index()), [9])
+        if sys.version_info[0] == 2:
+            m.set_attribute(isk, p.get_index(), [LongLike(99)])
+            self.assertEqual(m.get_attribute(isk, p.get_index()), [99])
+
+
 if __name__ == '__main__':
     IMP.test.main()

From c92ad5c4459883a687e3df352c69fb374d0adc1b Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 9 Jun 2021 10:17:12 -0700
Subject: [PATCH 021/250] Fix typos

---
 modules/atom/examples/cg_pdb.py                     | 2 +-
 modules/atom/examples/molecular_hierarchy.py        | 2 +-
 modules/container/examples/filter_close_pairs.py    | 2 +-
 modules/core/examples/randomize_rigid_body.py       | 2 +-
 modules/kernel/examples/flags.py                    | 2 +-
 modules/kernel/examples/graph.py                    | 4 ++--
 modules/kernel/examples/write_an_optimizer_state.py | 2 +-
 modules/statistics/examples/write_a_metric.py       | 2 +-
 8 files changed, 9 insertions(+), 9 deletions(-)

diff --git a/modules/atom/examples/cg_pdb.py b/modules/atom/examples/cg_pdb.py
index ad4dd97b1b..e492e2094f 100644
--- a/modules/atom/examples/cg_pdb.py
+++ b/modules/atom/examples/cg_pdb.py
@@ -12,7 +12,7 @@
 full = IMP.atom.read_pdb(IMP.atom.get_example_path("example_protein.pdb"), m)
 chain = IMP.atom.get_by_type(full, IMP.atom.CHAIN_TYPE)[0]
 print(chain)
-# for some reason the python wrapper won't make the implicit conversion to
+# for some reason the Python wrapper won't make the implicit conversion to
 # Chain
 simplified = IMP.atom.create_simplified_along_backbone(
     IMP.atom.Chain(chain), 3)
diff --git a/modules/atom/examples/molecular_hierarchy.py b/modules/atom/examples/molecular_hierarchy.py
index 61ab143d7f..4f3fe6fea6 100644
--- a/modules/atom/examples/molecular_hierarchy.py
+++ b/modules/atom/examples/molecular_hierarchy.py
@@ -17,7 +17,7 @@
 # get the 16th residue of the first chain
 hchain = IMP.atom.get_by_type(mp0, IMP.atom.CHAIN_TYPE)[0]
 # decorate the chain particle with an IMP.atom.Chain decorator.
-# unfortunately, our python wrapper does not handle converseions properly
+# unfortunately, our Python wrapper does not handle conversions properly
 # as a result you have to manually get the particle for that chain
 chain = IMP.atom.Chain(hchain.get_particle())
 r16 = IMP.atom.get_residue(chain, 16)
diff --git a/modules/container/examples/filter_close_pairs.py b/modules/container/examples/filter_close_pairs.py
index a2115c98c5..49290c0612 100644
--- a/modules/container/examples/filter_close_pairs.py
+++ b/modules/container/examples/filter_close_pairs.py
@@ -3,7 +3,7 @@
 # the IMP.container.ClosePairContainer (or
 # IMP.container.CloseBipartitePairContainer). Eventually the filter should
 # probably be implemented in C++, for speed but implementing the filter in
-# python is good for prototyping.
+# Python is good for prototyping.
 
 from __future__ import print_function
 import IMP
diff --git a/modules/core/examples/randomize_rigid_body.py b/modules/core/examples/randomize_rigid_body.py
index f6c50b7625..9d0347d65a 100644
--- a/modules/core/examples/randomize_rigid_body.py
+++ b/modules/core/examples/randomize_rigid_body.py
@@ -15,7 +15,7 @@
 translation = IMP.algebra.get_random_vector_in(
     IMP.algebra.get_unit_bounding_box_3d())
 
-# we don't yet have python code to generate a nearby rotation
+# we don't yet have Python code to generate a nearby rotation
 rotation = IMP.algebra.get_random_rotation_3d()
 transformation = IMP.algebra.Transformation3D(rotation, translation)
 # Option 1:
diff --git a/modules/kernel/examples/flags.py b/modules/kernel/examples/flags.py
index a3fb996399..903a0b91d0 100644
--- a/modules/kernel/examples/flags.py
+++ b/modules/kernel/examples/flags.py
@@ -1,5 +1,5 @@
 ## \example kernel/flags.py
-# A simple example of how to use IMP flags support in a python
+# A simple example of how to use IMP flags support in a Python
 # executable. Run with "--help" to see all available flags.
 
 import IMP
diff --git a/modules/kernel/examples/graph.py b/modules/kernel/examples/graph.py
index 60ecdddc39..d2514d128b 100644
--- a/modules/kernel/examples/graph.py
+++ b/modules/kernel/examples/graph.py
@@ -1,5 +1,5 @@
 ## \example kernel/graph.py
-# A simple example showing how to use the graph interface for in python.
+# A simple example showing how to use the graph interface for in Python.
 
 from __future__ import print_function
 import IMP
@@ -31,7 +31,7 @@
     matplotlib.use("macosx")
     import matplotlib.pyplot
 
-    # the method below requires the altgraph python package
+    # the method below requires the altgraph Python package
     xg = IMP.get_networkx_graph(g)
 
     # the networkx visualization tools suck, so skip them
diff --git a/modules/kernel/examples/write_an_optimizer_state.py b/modules/kernel/examples/write_an_optimizer_state.py
index 401f00fb8e..74925db650 100644
--- a/modules/kernel/examples/write_an_optimizer_state.py
+++ b/modules/kernel/examples/write_an_optimizer_state.py
@@ -36,7 +36,7 @@ def update(self):
 sf = rs.create_scoring_function()
 
 os = MyOptimizerState([r0, r1])
-os.set_name("python optimizer state")
+os.set_name("Python optimizer state")
 # we don't have any optimizers either
 co = IMP._ConstOptimizer(m)
 co.set_scoring_function(sf)
diff --git a/modules/statistics/examples/write_a_metric.py b/modules/statistics/examples/write_a_metric.py
index 0d062b47db..1cbece7181 100644
--- a/modules/statistics/examples/write_a_metric.py
+++ b/modules/statistics/examples/write_a_metric.py
@@ -1,5 +1,5 @@
 ## \example statistics/write_a_metric.py
-# This simple example shows how to write an IMP.statistics.Metric in python.
+# This simple example shows how to write an IMP.statistics.Metric in Python.
 
 import IMP.statistics
 import math

From 5b06f20528a9a62b182c04ccff59b8d4785d6bd7 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 9 Jun 2021 10:58:56 -0700
Subject: [PATCH 022/250] Correct issues noted by flake8

---
 modules/algebra/examples/geometry.py          |  4 +-
 modules/algebra/examples/grid_space.py        |  3 +-
 modules/atom/examples/assess_dope.py          |  2 +
 modules/atom/examples/brownian_statistics.py  | 20 +++++-----
 .../examples/charmm_forcefield_verbose.py     | 17 ++++++---
 modules/atom/examples/markers.py              | 10 ++++-
 modules/atom/examples/molecular_hierarchy.py  |  7 ++--
 modules/atom/examples/multiresolution.py      | 16 +++++---
 modules/atom/examples/multistate.py           |  1 +
 .../atom/examples/rigid_brownian_dynamics.py  |  5 +--
 .../examples/score_protein_with_ligand.py     |  8 ++--
 .../bipartite_nonbonded_interactions.py       |  8 ++--
 .../container/examples/filter_close_pairs.py  | 12 +++---
 .../examples/nonbonded_interactions.py        |  4 +-
 modules/core/examples/cover_particles.py      |  1 -
 modules/core/examples/custom_hierarchy.py     |  2 +
 .../examples/ms_connectivity_restraint.py     |  5 ++-
 modules/core/examples/optimize_balls.py       |  9 +++--
 modules/core/examples/randomize_rigid_body.py |  5 +--
 modules/core/examples/restrain_diameter.py    |  2 +-
 modules/core/examples/rigid_bodies.py         | 10 +++--
 modules/core/examples/rigid_collisions.py     |  4 +-
 modules/core/examples/symmetry.py             |  5 ++-
 modules/display/examples/basic_geometry.py    |  3 +-
 modules/display/examples/display_log.py       |  3 +-
 .../display/examples/displaying_ensembles.py  | 26 ++++++-------
 .../examples/show_particles_as_spheres.py     |  3 +-
 modules/domino/examples/custom_filter.py      |  8 ++--
 modules/domino/examples/domino_approach.py    |  2 +
 modules/domino/examples/interactive.py        |  7 ++--
 .../examples/interactive_with_containers.py   |  5 ++-
 modules/domino/examples/marina_party.py       | 13 ++++---
 modules/domino/examples/multiscale.py         | 22 +++++------
 .../examples/rigid_body_excluded_volume.py    |  1 +
 .../examples/six_particles_optimization.py    |  9 +++--
 modules/em/examples/analyze_convergence.py    |  2 +
 modules/em/examples/fit_restraint.py          |  3 +-
 ...generate_density_map_of_fixed_dimension.py |  8 +---
 modules/em/examples/local_fitting.py          | 17 ++++-----
 modules/em/examples/pdb2density.py            |  3 +-
 .../em2d/examples/clustering_of_pdb_models.py |  8 +---
 modules/em2d/examples/em_images_conversion.py |  1 -
 .../examples/optimize_em2d_with_montecarlo.py | 37 +++++++++----------
 modules/kernel/examples/basic_optimization.py |  4 +-
 modules/kernel/examples/chain.py              |  1 -
 modules/kernel/examples/dependency_graph.py   | 36 ++++++++++--------
 modules/kernel/examples/graph.py              |  2 +-
 modules/kernel/examples/log.py                |  2 +
 modules/kernel/examples/write_a_restraint.py  |  5 ++-
 .../examples/write_an_optimizer_state.py      |  3 +-
 modules/kmeans/examples/kmeans_example.py     |  5 ++-
 modules/misc/examples/decay.py                |  8 ++--
 .../modeller/examples/load_modeller_model.py  |  4 +-
 modules/rmf/examples/multiresolution.py       |  1 +
 modules/rotamer/examples/rotamer_pdb.py       | 11 +++---
 modules/rotamer/examples/rotamer_pdb2.py      |  4 +-
 modules/saxs/examples/profile.py              | 23 +++++++-----
 modules/saxs/examples/profile_fit.py          | 28 ++++++++------
 modules/statistics/examples/write_a_metric.py |  5 ++-
 modules/symmetry/examples/BallMover.py        |  6 +--
 60 files changed, 272 insertions(+), 217 deletions(-)

diff --git a/modules/algebra/examples/geometry.py b/modules/algebra/examples/geometry.py
index 157f1b6a12..66c4a02aa6 100644
--- a/modules/algebra/examples/geometry.py
+++ b/modules/algebra/examples/geometry.py
@@ -11,8 +11,8 @@
 # we can create some spheres
 s = []
 for i in range(0, 10):
-    s.append(IMP.algebra.Sphere3D(
-        IMP.algebra.get_random_vector_in(IMP.algebra.get_unit_bounding_box_3d()), .1))
+    s.append(IMP.algebra.Sphere3D(IMP.algebra.get_random_vector_in(
+        IMP.algebra.get_unit_bounding_box_3d()), .1))
 
 # we can compute a sphere which contains them all
 enclosing = IMP.algebra.get_enclosing_sphere(s)
diff --git a/modules/algebra/examples/grid_space.py b/modules/algebra/examples/grid_space.py
index 1159b3c230..a82f296b27 100644
--- a/modules/algebra/examples/grid_space.py
+++ b/modules/algebra/examples/grid_space.py
@@ -34,4 +34,5 @@
         g.add_voxel(i, -1)
         in_count += 1
 
-print("There are", len(g.get_all_indexes()), "distinct values", count, in_count)
+print("There are", len(g.get_all_indexes()), "distinct values",
+      count, in_count)
diff --git a/modules/atom/examples/assess_dope.py b/modules/atom/examples/assess_dope.py
index fb5c4c703a..3426048eec 100644
--- a/modules/atom/examples/assess_dope.py
+++ b/modules/atom/examples/assess_dope.py
@@ -9,6 +9,7 @@
 
 IMP.setup_from_argv(sys.argv, "assess dope")
 
+
 def create_representation():
     m = IMP.Model()
     mp0 = IMP.atom.read_pdb(IMP.atom.get_example_path(
@@ -35,6 +36,7 @@ def add_dope(m, prot):
     d = IMP.container.PairsRestraint(dps, dpc)
     return d
 
+
 print("creating representation")
 (m, prot) = create_representation()
 
diff --git a/modules/atom/examples/brownian_statistics.py b/modules/atom/examples/brownian_statistics.py
index 741bcbd329..2a00cdd6f6 100644
--- a/modules/atom/examples/brownian_statistics.py
+++ b/modules/atom/examples/brownian_statistics.py
@@ -32,13 +32,13 @@
                                   4 * expected_delta ** 2, time_step)
 
 print("with a time step of", time_step, "fs")
-print("an object of radius", minimum_particle_radius, "A will move",\
-    expected_delta, "A and a point on its surface will move",\
-    expected_rotational_delta, "A more")
-print("the motion from fluctuations in the spring compression will be",\
-    expected_spring_diffusion_length, "A")
-print("and a compression of 10% of the radius will induce a motion of",\
-    IMP.atom.get_diffusion_length(maximum_diffusion_coefficient,
-                         .5 * maximum_spring_constant *
-                         (.1 * minimum_particle_radius) ** 2,
-                         time_step), "A")
+print("an object of radius", minimum_particle_radius, "A will move",
+      expected_delta, "A and a point on its surface will move",
+      expected_rotational_delta, "A more")
+print("the motion from fluctuations in the spring compression will be",
+      expected_spring_diffusion_length, "A")
+print("and a compression of 10% of the radius will induce a motion of",
+      IMP.atom.get_diffusion_length(maximum_diffusion_coefficient,
+                                    .5 * maximum_spring_constant *
+                                    (.1 * minimum_particle_radius) ** 2,
+                                    time_step), "A")
diff --git a/modules/atom/examples/charmm_forcefield_verbose.py b/modules/atom/examples/charmm_forcefield_verbose.py
index 1e896bfdfe..c7433d40f0 100644
--- a/modules/atom/examples/charmm_forcefield_verbose.py
+++ b/modules/atom/examples/charmm_forcefield_verbose.py
@@ -1,5 +1,9 @@
 ## \example atom/charmm_forcefield_verbose.py
-# In this example, a PDB file is read in and scored using the CHARMM forcefield. It is similar to the 'charmm_forcefield.py' example, but fully works through each step of the procedure using lower-level IMP classes. This is useful if you want to customize the way in which the forcefield is applied.
+# In this example, a PDB file is read in and scored using the CHARMM
+# forcefield. It is similar to the 'charmm_forcefield.py' example, but fully
+# works through each step of the procedure using lower-level IMP classes.
+# This is useful if you want to customize the way in which the forcefield
+# is applied.
 #
 
 from __future__ import print_function
@@ -58,10 +62,10 @@
 # - A BondSingletonScore, when given a bond particle, scores the bond by
 #   calculating the distance between the two atoms it bonds, subtracting the
 #   ideal value, and weighting the result by the bond's "stiffness", such that
-#   an "ideal" bond scores zero, and bonds away from equilibrium score non-zero.
-#   It then hands off to a UnaryFunction to actually penalize the value. In
-#   this case, a Harmonic UnaryFunction is used with a mean of zero, so that
-#   bond lengths are harmonically restrained.
+#   an "ideal" bond scores zero, and bonds away from equilibrium score
+#   non-zero. It then hands off to a UnaryFunction to actually penalize the
+#   value. In this case, a Harmonic UnaryFunction is used with a mean of zero,
+#   so that bond lengths are harmonically restrained.
 # - A SingletonsRestraint simply goes through each of the bonds in the
 #   container and scores each one in turn.
 cont = IMP.container.ListSingletonContainer(m, bonds, "bonds")
@@ -102,7 +106,8 @@
 # of all pairs of Particles that are close. A StereochemistryPairFilter is used
 # to exclude atoms from this list that are bonded to each other or are involved
 # in an angle or dihedral (1-3 or 1-4 interaction). Then, a
-# LennardJonesPairScore scores a pair of atoms with the Lennard-Jones potential.
+# LennardJonesPairScore scores a pair of atoms with the
+# Lennard-Jones potential.
 # Finally, a PairsRestraint is used which simply applies the
 # LennardJonesPairScore to each pair in the ClosePairContainer.
 nbl = IMP.container.ClosePairContainer(cont, 4.0)
diff --git a/modules/atom/examples/markers.py b/modules/atom/examples/markers.py
index 51b6875b3a..a440e7e83a 100644
--- a/modules/atom/examples/markers.py
+++ b/modules/atom/examples/markers.py
@@ -1,7 +1,13 @@
 ## \example atom/markers.py
-# It is often useful to be able to add extra particles to a model to act as markers for particular features. Examples include creating a bounding sphere for some part of a molecule and using the bounding sphere particle in a distance restraint. The IMP.atom.create_cover() is such a function, creating a particle whose IMP.core.XYZR sphere contains the passed IMP.atom.Selection at all times.
+# It is often useful to be able to add extra particles to a model to act as
+# markers for particular features. Examples include creating a bounding sphere
+# for some part of a molecule and using the bounding sphere particle in a
+# distance restraint. The IMP.atom.create_cover() is such a function, creating
+# a particle whose IMP.core.XYZR sphere contains the passed IMP.atom.Selection
+# at all times.
 #
-# The same code also works (more efficiently in fact) if the protein is made into a rigid body.
+# The same code also works (more efficiently in fact) if the protein is made
+# into a rigid body.
 #
 
 import IMP.atom
diff --git a/modules/atom/examples/molecular_hierarchy.py b/modules/atom/examples/molecular_hierarchy.py
index 4f3fe6fea6..b2fa82e629 100644
--- a/modules/atom/examples/molecular_hierarchy.py
+++ b/modules/atom/examples/molecular_hierarchy.py
@@ -1,8 +1,9 @@
 ## \example atom/molecular_hierarchy.py
-# In this example, we read a protein from a PDB file and set the center and radius of each residue to enclose the atoms in that residue.
+# In this example, we read a protein from a PDB file and set the center and
+# radius of each residue to enclose the atoms in that residue.
 #
-# Then a second copy of the protein is loaded and they are both added to the same hierarchy
-# to define a hypothetical assembly.
+# Then a second copy of the protein is loaded and they are both added to the
+# same hierarchy to define a hypothetical assembly.
 #
 
 import IMP
diff --git a/modules/atom/examples/multiresolution.py b/modules/atom/examples/multiresolution.py
index aa95bd160a..b3b3ee8a14 100644
--- a/modules/atom/examples/multiresolution.py
+++ b/modules/atom/examples/multiresolution.py
@@ -43,12 +43,18 @@
 
 # note these resolutions need to be fixed
 print("atoms")
-print(IMP.atom.Selection(root, residue_index=15, resolution=1).get_selected_particles())
+print(IMP.atom.Selection(
+    root, residue_index=15, resolution=1).get_selected_particles())
 print("residues")
-print(IMP.atom.Selection(root, residue_index=15, resolution=.3).get_selected_particles())
+print(IMP.atom.Selection(
+    root, residue_index=15, resolution=.3).get_selected_particles())
 print("several residues")
-print(IMP.atom.Selection(root, residue_index=15, resolution=.2).get_selected_particles())
+print(IMP.atom.Selection(
+    root, residue_index=15, resolution=.2).get_selected_particles())
 print("very coarse")
-print(IMP.atom.Selection(root, residue_index=15, resolution=.01).get_selected_particles())
+print(IMP.atom.Selection(
+    root, residue_index=15, resolution=.01).get_selected_particles())
 print("all")
-print(IMP.atom.Selection(root, residue_index=15, resolution=IMP.atom.ALL_RESOLUTIONS).get_selected_particles())
+print(IMP.atom.Selection(
+    root, residue_index=15,
+    resolution=IMP.atom.ALL_RESOLUTIONS).get_selected_particles())
diff --git a/modules/atom/examples/multistate.py b/modules/atom/examples/multistate.py
index 109a191448..5c0ea5f27e 100644
--- a/modules/atom/examples/multistate.py
+++ b/modules/atom/examples/multistate.py
@@ -16,6 +16,7 @@ def create_one():
     h = IMP.atom.read_pdb(IMP.atom.get_example_path("1d3d-protein.pdb"), m)
     return h
 
+
 h0 = create_one()
 rt.add_child(h0)
 IMP.atom.State.setup_particle(h0, 0)
diff --git a/modules/atom/examples/rigid_brownian_dynamics.py b/modules/atom/examples/rigid_brownian_dynamics.py
index 5052a5e086..00c59cdc8b 100644
--- a/modules/atom/examples/rigid_brownian_dynamics.py
+++ b/modules/atom/examples/rigid_brownian_dynamics.py
@@ -41,6 +41,7 @@ def display(i, w, hs):
         g = IMP.atom.HierarchyGeometry(h)
         w.add_geometry(g)
 
+
 m = IMP.Model()
 IMP.set_log_level(IMP.SILENT)
 
@@ -53,10 +54,6 @@ def display(i, w, hs):
     IMP.container.ListSingletonContainer(
         m, rb0.get_rigid_members() + rb1.get_rigid_members()), 1, 3)
 
-#h= IMP.core.Harmonic(0,1)
-#s= IMP.core.DistanceToSingletonScore(h, IMP.algebra.Vector3D(0,0,0))
-#r= IMP.core.SingletonRestraint(s, rb0.get_member(0))
-# m.add_restraint(r)
 cr = IMP.atom.create_distance_restraint(
     IMP.atom.Selection(h0), IMP.atom.Selection(h1), 0, 1)
 
diff --git a/modules/atom/examples/score_protein_with_ligand.py b/modules/atom/examples/score_protein_with_ligand.py
index 5b50d351d8..d8db9236f9 100644
--- a/modules/atom/examples/score_protein_with_ligand.py
+++ b/modules/atom/examples/score_protein_with_ligand.py
@@ -18,11 +18,11 @@
 ps.set_was_used(True)
 # label each atom of the protein with the type needed for scoring
 IMP.atom.add_protein_ligand_score_data(protein)
-for l in ligands.get_children():
+for cl in ligands.get_children():
     # compute the atom type for each ligand atom
-    IMP.atom.add_protein_ligand_score_data(l)
+    IMP.atom.add_protein_ligand_score_data(cl)
     score = 0
-    ligand_atoms = IMP.atom.get_by_type(l, IMP.atom.ATOM_TYPE)
+    ligand_atoms = IMP.atom.get_by_type(cl, IMP.atom.ATOM_TYPE)
     for pa in protein_atoms:
         for la in ligand_atoms:
             # check if the atoms are close enough together
@@ -31,4 +31,4 @@
                 score += ps.evaluate_index(m,
                                            (pa.get_particle_index(),
                                             la.get_particle_index()), None)
-    print("score for ", l.get_name(), "is", score)
+    print("score for ", cl.get_name(), "is", score)
diff --git a/modules/container/examples/bipartite_nonbonded_interactions.py b/modules/container/examples/bipartite_nonbonded_interactions.py
index b185a99e86..5ae024f1e8 100644
--- a/modules/container/examples/bipartite_nonbonded_interactions.py
+++ b/modules/container/examples/bipartite_nonbonded_interactions.py
@@ -14,10 +14,10 @@
 
 m = IMP.Model()
 # The set of particles
-ps0 = IMP.container.ListSingletonContainer(m,
-                         IMP.core.create_xyzr_particles(m, 20, 1.0))
-ps1 = IMP.container.ListSingletonContainer(m,
-                         IMP.core.create_xyzr_particles(m, 20, 2.0))
+ps0 = IMP.container.ListSingletonContainer(
+    m, IMP.core.create_xyzr_particles(m, 20, 1.0))
+ps1 = IMP.container.ListSingletonContainer(
+    m, IMP.core.create_xyzr_particles(m, 20, 2.0))
 
 # Set up the nonbonded list
 nbl = IMP.container.CloseBipartitePairContainer(ps0, ps1, 0, 1)
diff --git a/modules/container/examples/filter_close_pairs.py b/modules/container/examples/filter_close_pairs.py
index 49290c0612..be1b79dd37 100644
--- a/modules/container/examples/filter_close_pairs.py
+++ b/modules/container/examples/filter_close_pairs.py
@@ -20,14 +20,14 @@
 ik = IMP.IntKey("num")
 IMP.set_log_level(IMP.SILENT)
 m = IMP.Model()
-l = []
+ll = []
 for i in range(0, np):
     p = m.add_particle("p%d" % i)
     m.add_attribute(ik, p, i)
-    IMP.core.XYZR.setup_particle(m,
-        p, IMP.algebra.Sphere3D(IMP.algebra.get_random_vector_in(bb), 1))
-    l.append(p)
-lsc = IMP.container.ListSingletonContainer(m, l)
+    IMP.core.XYZR.setup_particle(
+        m, p, IMP.algebra.Sphere3D(IMP.algebra.get_random_vector_in(bb), 1))
+    ll.append(p)
+lsc = IMP.container.ListSingletonContainer(m, ll)
 cpc = IMP.container.ClosePairContainer(lsc, 0.0)
 
 m.update()
@@ -51,6 +51,8 @@ def do_get_inputs(self, m, pis):
 
     def do_show(self, out):
         pass
+
+
 f = ConsecutiveFilter()
 cpc.add_pair_filter(f)
 m.update()
diff --git a/modules/container/examples/nonbonded_interactions.py b/modules/container/examples/nonbonded_interactions.py
index 2b3f609475..457ab4e00e 100644
--- a/modules/container/examples/nonbonded_interactions.py
+++ b/modules/container/examples/nonbonded_interactions.py
@@ -15,8 +15,8 @@
 
 m = IMP.Model()
 # The set of particles
-ps = IMP.container.ListSingletonContainer(m,
-         IMP.core.create_xyzr_particles(m, 20, 1.0))
+ps = IMP.container.ListSingletonContainer(
+    m, IMP.core.create_xyzr_particles(m, 20, 1.0))
 
 # create a bond between two particles
 bd0 = IMP.atom.Bonded.setup_particle(m, ps.get_indexes()[0])
diff --git a/modules/core/examples/cover_particles.py b/modules/core/examples/cover_particles.py
index e857d145bd..c41ed4c218 100644
--- a/modules/core/examples/cover_particles.py
+++ b/modules/core/examples/cover_particles.py
@@ -7,7 +7,6 @@
 import IMP
 import IMP.core
 import IMP.atom
-import IMP.atom
 import sys
 
 IMP.setup_from_argv(sys.argv, "cover particles")
diff --git a/modules/core/examples/custom_hierarchy.py b/modules/core/examples/custom_hierarchy.py
index 1c78e2beb3..060cc8deb3 100644
--- a/modules/core/examples/custom_hierarchy.py
+++ b/modules/core/examples/custom_hierarchy.py
@@ -7,6 +7,7 @@
 
 IMP.setup_from_argv(sys.argv, "custom hierarchy")
 
+
 def custom_hierarchy(parent_particle, children_particles):
     tr = IMP.core.HierarchyTraits("my hierarchy")
     pd = IMP.core.Hierarchy.setup_particle(parent_particle, tr)
@@ -15,6 +16,7 @@ def custom_hierarchy(parent_particle, children_particles):
         pd.add_child(cd)
     pd.show()
 
+
 m = IMP.Model()
 p1 = IMP.Particle(m)
 p2 = IMP.Particle(m)
diff --git a/modules/core/examples/ms_connectivity_restraint.py b/modules/core/examples/ms_connectivity_restraint.py
index f7184708e9..77fde6cc1a 100644
--- a/modules/core/examples/ms_connectivity_restraint.py
+++ b/modules/core/examples/ms_connectivity_restraint.py
@@ -1,5 +1,8 @@
 ## \example core/ms_connectivity_restraint.py
-# This example shows how to use the MSConnectivityRestraint to ensure that all the particles that are part of complexes end up in a connected conformation following the optimization. It allows multiple copies of particles and takes an experimental tree as an input.
+# This example shows how to use the MSConnectivityRestraint to ensure that
+# all the particles that are part of complexes end up in a connected
+# conformation following the optimization. It allows multiple copies of
+# particles and takes an experimental tree as an input.
 #
 
 # -- File: ms_connectivity_restraint.py --#
diff --git a/modules/core/examples/optimize_balls.py b/modules/core/examples/optimize_balls.py
index 6590f1514e..0c7d3495ea 100644
--- a/modules/core/examples/optimize_balls.py
+++ b/modules/core/examples/optimize_balls.py
@@ -88,8 +88,8 @@
 isf = IMP.core.IncrementalScoringFunction(m, aps, restraints)
 isf.set_name("I")
 # use special incremental support for the non-bonded part
-# apply the pair score sps to all touching ball pairs from the list of particles
-# aps, using the filters to remove undersired pairs
+# apply the pair score sps to all touching ball pairs from the list
+# of particles aps, using the filters to remove undersired pairs
 # this is equivalent to the nbl construction above but optimized for
 # incremental
 isf.add_close_pair_score(sps, 0, aps, filters)
@@ -122,8 +122,9 @@
     factor = .1 * i
     for p in aps:
         rs.append(
-            IMP.ScopedSetFloatAttribute(p, IMP.core.XYZR.get_radius_key(),
-                                        IMP.core.XYZR(p).get_radius() * factor))
+            IMP.ScopedSetFloatAttribute(
+                p, IMP.core.XYZR.get_radius_key(),
+                IMP.core.XYZR(p).get_radius() * factor))
     # move each particle nmc times
     print(factor)
     for j in range(0, ninner):
diff --git a/modules/core/examples/randomize_rigid_body.py b/modules/core/examples/randomize_rigid_body.py
index 9d0347d65a..4e7508daa0 100644
--- a/modules/core/examples/randomize_rigid_body.py
+++ b/modules/core/examples/randomize_rigid_body.py
@@ -23,9 +23,8 @@
 rbd.set_reference_frame(IMP.algebra.ReferenceFrame3D(transformation))
 # Option 2:
 # perturb the existing transformation
-composed_tr = IMP.algebra.compose \
-    (rbd.get_reference_frame().get_transformation_to(),
-     transformation)
+composed_tr = IMP.algebra.compose(
+    rbd.get_reference_frame().get_transformation_to(), transformation)
 rbd.set_reference_frame(IMP.algebra.ReferenceFrame3D(composed_tr))
 # Alternative to Option 2:
 IMP.core.transform(rbd, transformation)
diff --git a/modules/core/examples/restrain_diameter.py b/modules/core/examples/restrain_diameter.py
index 4ad3e932a9..b93a43739e 100644
--- a/modules/core/examples/restrain_diameter.py
+++ b/modules/core/examples/restrain_diameter.py
@@ -16,7 +16,7 @@
 diameter = 10
 m = IMP.Model()
 lc = IMP.container.ListSingletonContainer(
-               m, IMP.core.create_xyzr_particles(m, 50, 1.0))
+    m, IMP.core.create_xyzr_particles(m, 50, 1.0))
 h = IMP.core.HarmonicUpperBound(0, 1)
 r = IMP.core.DiameterRestraint(h, lc, diameter)
 sf = IMP.core.RestraintsScoringFunction([r])
diff --git a/modules/core/examples/rigid_bodies.py b/modules/core/examples/rigid_bodies.py
index dbb5762498..07b6c82b45 100644
--- a/modules/core/examples/rigid_bodies.py
+++ b/modules/core/examples/rigid_bodies.py
@@ -1,6 +1,7 @@
 ## \example core/rigid_bodies.py
-# This example shows how to set up rigid bodies, one per residue in a protein. A score
-# state is then used to ensure that the bodies remain rigid during the optimization process.
+# This example shows how to set up rigid bodies, one per residue in a protein.
+# A score state is then used to ensure that the bodies remain rigid during
+# the optimization process.
 #
 
 import IMP
@@ -17,7 +18,8 @@
 chains = IMP.atom.get_by_type(mp1, IMP.atom.CHAIN_TYPE)
 rd = IMP.atom.Hierarchy(chains[0])
 # Create a rigid body from the first chain
-# note that rbs != chains[0] as the bounding volume for rbs needs to include all of the
-# chain, but chains[0] might have a smaller sphere associated with it.
+# note that rbs != chains[0] as the bounding volume for rbs needs to include
+# all of the chain, but chains[0] might have a smaller sphere associated
+# with it.
 rbs = IMP.atom.create_rigid_body(chains[0])
 print("all done")
diff --git a/modules/core/examples/rigid_collisions.py b/modules/core/examples/rigid_collisions.py
index a6ed30fc22..e72bf9d1c2 100644
--- a/modules/core/examples/rigid_collisions.py
+++ b/modules/core/examples/rigid_collisions.py
@@ -1,6 +1,6 @@
 ## \example core/rigid_collisions.py
-# Collision detection and building of a non-bonded list can be sped up when rigid bodies are used.
-# To do this, use a RigidClosePairsFinder.
+# Collision detection and building of a non-bonded list can be sped up when
+# rigid bodies are used. To do this, use a RigidClosePairsFinder.
 
 import IMP
 import IMP.core
diff --git a/modules/core/examples/symmetry.py b/modules/core/examples/symmetry.py
index 0a71afe922..2d35d49350 100644
--- a/modules/core/examples/symmetry.py
+++ b/modules/core/examples/symmetry.py
@@ -29,8 +29,9 @@
                                                 i + 1)),
         IMP.algebra.Vector3D(0, 0, 0))
     sm = IMP.core.TransformationSymmetry(tr)
-    # set up a constraint for the one particle, if you have more than one with the same symmetry
-    # transform, you should use an IMP.container.SingletonsConstraint.
+    # set up a constraint for the one particle; if you have more than one
+    # with the same symmetry transform, you should use
+    # an IMP.container.SingletonsConstraint.
     c = IMP.core.SingletonConstraint(sm, None, m, p)
     m.add_score_state(c)
 lsc = IMP.container.ListSingletonContainer(m, ps)
diff --git a/modules/display/examples/basic_geometry.py b/modules/display/examples/basic_geometry.py
index 28a60f272d..c1d44bb124 100644
--- a/modules/display/examples/basic_geometry.py
+++ b/modules/display/examples/basic_geometry.py
@@ -6,7 +6,8 @@
 import IMP.display
 import sys
 
-IMP.setup_from_argv(sys.argv,
+IMP.setup_from_argv(
+    sys.argv,
     "Write basic geometric primitives to a file with color and name.")
 
 name = IMP.create_temporary_file_name("example", ".py")
diff --git a/modules/display/examples/display_log.py b/modules/display/examples/display_log.py
index b25caf1ba7..50afc410fe 100644
--- a/modules/display/examples/display_log.py
+++ b/modules/display/examples/display_log.py
@@ -6,7 +6,8 @@
 import IMP.container
 import sys
 
-IMP.setup_from_argv(sys.argv,
+IMP.setup_from_argv(
+    sys.argv,
     "Example of how to use one of the IMP.display.LogOptimizerStates")
 
 m = IMP.Model()
diff --git a/modules/display/examples/displaying_ensembles.py b/modules/display/examples/displaying_ensembles.py
index 510d36586d..bed9a3e403 100644
--- a/modules/display/examples/displaying_ensembles.py
+++ b/modules/display/examples/displaying_ensembles.py
@@ -11,8 +11,8 @@
 import IMP.atom
 import sys
 
-IMP.setup_from_argv(sys.argv,
-    "Experiments with trying to visualize an ensemble of structures")
+IMP.setup_from_argv(
+    sys.argv, "Experiments with trying to visualize an ensemble of structures")
 
 Segment = IMP.algebra.Segment3D
 Cylinder = IMP.algebra.Cylinder3D
@@ -36,8 +36,6 @@ def read(m, beyond_file):
                 IMP.atom.Chain(c), 4)
             hr.add_child(simp)
         IMP.atom.destroy(h)
-        if i == 0:
-            base = IMP.atom.get_leaves(hr)
         print(" ", i)
     return hs
 
@@ -109,6 +107,7 @@ def add_skeleton(h, c, r, w, chain_colors):
                 g.set_name(get_nice_name(h) + "_skel")
                 w.add_geometry(g)
 
+
 IMP.set_log_level(IMP.TERSE)
 m = IMP.Model()
 
@@ -134,20 +133,19 @@ def add_skeleton(h, c, r, w, chain_colors):
         if h == hs[0]:
             crb = IMP.atom.create_rigid_body(hc)
         else:
-            # make sure the rigid bodies have equivalent defining reference frames
-            # if we just used IMP.atom.create_rigid_body, globular proteins are likely
-            # to have different axis computed when starting in different
-            # orientations
+            # Make sure the rigid bodies have equivalent defining reference
+            # frames. If we just used IMP.atom.create_rigid_body, globular
+            # proteins are likely to have different axes computed when
+            # starting in different orientations
             crb = IMP.atom.create_compatible_rigid_body(
                 hc, base_chains[c.get_id()])
     print(" ", i)
 
 chains = IMP.atom.get_by_type(hs[0], IMP.atom.CHAIN_TYPE)
-chains.sort(key = lambda x: IMP.core.XYZ(x).get_x() + IMP.core.XYZ(x).get_y())
+chains.sort(key=lambda x: IMP.core.XYZ(x).get_x() + IMP.core.XYZ(x).get_y())
 chain_colors = {}
 for i, c in enumerate(chains):
     id = IMP.atom.Chain(c).get_id()
-    #f= i/float(len(chains))
     color = IMP.display.get_display_color(i)
     # IMP.display.get_jet_color(f)
     chain_colors[id] = color
@@ -157,10 +155,10 @@ def add_skeleton(h, c, r, w, chain_colors):
 hso = hs[1:]
 
 
-# sort them spatially so the colors are nicely arranged and allow one to visually connect
-# the position of one end with that of the other
-hso.sort(key=lambda h: IMP.core.XYZ(IMP.atom.Selection(h, chain='I',
-                       residue_index=237).get_selected_particles()[0]).get_z())
+# sort them spatially so the colors are nicely arranged and allow one to
+# visually connect the position of one end with that of the other
+hso.sort(key=lambda h: IMP.core.XYZ(IMP.atom.Selection(
+    h, chain='I', residue_index=237).get_selected_particles()[0]).get_z())
 print("adding markers", end=' ')
 for i, h in enumerate(hso):
     c = IMP.display.get_interpolated_rgb(
diff --git a/modules/display/examples/show_particles_as_spheres.py b/modules/display/examples/show_particles_as_spheres.py
index 9e4303f495..e0833fa6e5 100644
--- a/modules/display/examples/show_particles_as_spheres.py
+++ b/modules/display/examples/show_particles_as_spheres.py
@@ -9,7 +9,8 @@
 import IMP.display
 import sys
 
-IMP.setup_from_argv(sys.argv,
+IMP.setup_from_argv(
+    sys.argv,
     "Write two colored sets of random XYZR particles to a Pymol input file")
 
 # create two lists of random particles for display
diff --git a/modules/domino/examples/custom_filter.py b/modules/domino/examples/custom_filter.py
index 8005e3b2cd..cecdecc4c2 100644
--- a/modules/domino/examples/custom_filter.py
+++ b/modules/domino/examples/custom_filter.py
@@ -24,8 +24,8 @@ def create_scoring(m, ps):
                                          "Restrained pairs")
     pr = IMP.container.PairsRestraint(score, pc)
     pr.set_maximum_score(.01)
-    d = IMP.core.DistanceToSingletonScore(IMP.core.HarmonicUpperBound(2, 1),
-                                          IMP.algebra.Vector3D(2, 0, 0))
+    # d = IMP.core.DistanceToSingletonScore(IMP.core.HarmonicUpperBound(2, 1),
+    #                                       IMP.algebra.Vector3D(2, 0, 0))
     return [pr]
 
 
@@ -96,7 +96,8 @@ def __init__(self, p, s):
 
     def get_subset_filter(self, subset, excluded):
         # create a filter if self.p is in subset but not in excluded
-        if self.p in subset and self.p not in sum([list(x) for x in excluded], []):
+        if (self.p in subset
+                and self.p not in sum([list(x) for x in excluded], [])):
             # pass the position of self.p and the value that it must have
             return self.MyFilter(list(subset).index(self.p), self.s)
         else:
@@ -126,6 +127,7 @@ def create_sampler(m, ps, rs, pst):
     s.set_subset_filter_tables(filters)
     return s
 
+
 IMP.set_log_level(IMP.TERSE)
 m = IMP.Model()
 m.set_log_level(IMP.SILENT)
diff --git a/modules/domino/examples/domino_approach.py b/modules/domino/examples/domino_approach.py
index 2e3d6c2627..2f0a0fe366 100644
--- a/modules/domino/examples/domino_approach.py
+++ b/modules/domino/examples/domino_approach.py
@@ -9,6 +9,7 @@
 
 IMP.setup_from_argv(sys.argv, "domino approach")
 
+
 def optimize_subsets(subsets):
     pst = IMP.domino.ParticleStatesTable()
     for subset in subsets:
@@ -52,6 +53,7 @@ def initiate_configuration(domino_smp, ps):
     for p in ps:
         domino_smp.set_particle_states(p, states)
 
+
 sys.exit()
 # REPRESENTATION
 # 1. setting up the representation (6 particles)
diff --git a/modules/domino/examples/interactive.py b/modules/domino/examples/interactive.py
index 8452499145..f01745b940 100644
--- a/modules/domino/examples/interactive.py
+++ b/modules/domino/examples/interactive.py
@@ -23,8 +23,8 @@
                       for x in range(0, 3)])
 
 s = IMP.core.HarmonicDistancePairScore(1, 1)
-lpc = IMP.container.ListPairContainer(m,
-    [(ps[i[0]], ps[i[1]]) for i in [(0, 1), (1, 2)]])
+lpc = IMP.container.ListPairContainer(
+    m, [(ps[i[0]], ps[i[1]]) for i in [(0, 1), (1, 2)]])
 print([(m.get_particle_name(p[0]), m.get_particle_name(p[1]))
        for p in lpc.get_contents()])
 r = IMP.container.PairsRestraint(s, lpc)
@@ -73,10 +73,10 @@ def get_assignments(vertex):
     print(mt.get_vertex_name(vertex), [str(r) for r in ret])
     return ret
 
+
 # the root is the last vetex
 get_assignments(mt.get_vertices()[-1])
 
-
 schedule = []
 # we could instead decompose the tree into independent sets of jobs
 
@@ -95,5 +95,6 @@ def schedule_job(vertex):
     schedule[my_time].append(vertex)
     return my_time
 
+
 schedule_job(mt.get_vertices()[-1])
 print("The merging can be scheduled as", schedule)
diff --git a/modules/domino/examples/interactive_with_containers.py b/modules/domino/examples/interactive_with_containers.py
index c9493fe070..ed64a52012 100644
--- a/modules/domino/examples/interactive_with_containers.py
+++ b/modules/domino/examples/interactive_with_containers.py
@@ -21,8 +21,8 @@
                       for x in range(0, 3)])
 
 s = IMP.core.HarmonicDistancePairScore(1, 1)
-lpc = IMP.container.ListPairContainer(m,
-    [(ps[i[0]], ps[i[1]]) for i in [(0, 1), (1, 2)]])
+lpc = IMP.container.ListPairContainer(
+    m, [(ps[i[0]], ps[i[1]]) for i in [(0, 1), (1, 2)]])
 print([(m.get_particle_name(p[0]), m.get_particle_name(p[1]))
        for p in lpc.get_contents()])
 r = IMP.container.PairsRestraint(s, lpc)
@@ -81,6 +81,7 @@ def get_assignments(vertex):
             dataset, ss, pst.get_particles(), ssn))
     )
 
+
 # the root is the last vetex
 all = get_assignments(mt.get_vertices()[-1])
 all[1].set_was_used(True)
diff --git a/modules/domino/examples/marina_party.py b/modules/domino/examples/marina_party.py
index 99b1c10d87..4c30001bca 100644
--- a/modules/domino/examples/marina_party.py
+++ b/modules/domino/examples/marina_party.py
@@ -1,16 +1,16 @@
 ## \example domino/marina_party.py
 #
 # This is a not very serious example that shows how to use domino from scratch
-# to solve a problem. It is illustrative of creating your own type of particles,
-# a pair score, particle states for DOMINO, a decorator, and using subset filter
-# tables with DOMINO.
+# to solve a problem. It is illustrative of creating your own type of
+# particles, a pair score, particle states for DOMINO, a decorator, and using
+# subset filter tables with DOMINO.
 #
 # Solution of the Marina Party Problem with DOMINO:
 #
 # - Girls attend a party
 # - Each girl has dresses of different price
 # - There can not be repeated dresses in the party within a group of connected
-# people
+#   people
 # - Girls that are friends can call each other to agree
 # - The objective is to maximize the total price of all dresses in the party
 #
@@ -25,6 +25,7 @@
 
 IMP.setup_from_argv(sys.argv, "marina party")
 
+
 class SumPricePairScore(IMP.PairScore):
 
     def evaluate_index(self, m, pair, accum):
@@ -83,7 +84,6 @@ def get_total_price(states_table, subset, assignment):
 
 
 def print_assignment(states_table, subset, assignment):
-    total_price = 0
     print("########## solution assignment", assignment)
     for i, p in enumerate(subset):
         price_states = states_table.get_particle_states(p)
@@ -123,7 +123,8 @@ def print_assignment(states_table, subset, assignment):
     # Each girl has a selection of dresses
     selection = random.sample(prices, n_dresses)
     allowed_states_indices = [prices.index(price) for price in selection]
-    print(p.get_name(), "prices selected", selection, "indices", allowed_states_indices)
+    print(p.get_name(), "prices selected", selection, "indices",
+          allowed_states_indices)
     list_states_table = IMP.domino.ListSubsetFilterTable(states_table)
     list_states_table.set_allowed_states(p, allowed_states_indices)
     sampler.add_subset_filter_table(list_states_table)
diff --git a/modules/domino/examples/multiscale.py b/modules/domino/examples/multiscale.py
index 40ee631d41..245dceada4 100644
--- a/modules/domino/examples/multiscale.py
+++ b/modules/domino/examples/multiscale.py
@@ -19,22 +19,20 @@
 
 k = 1
 h = IMP.core.Harmonic(0, k)
-r0 = IMP.core.SingletonRestraint(m,
-    IMP.core.DistanceToSingletonScore(h, IMP.algebra.Vector3D(0, 0, 0)),
+r0 = IMP.core.SingletonRestraint(
+    m, IMP.core.DistanceToSingletonScore(h, IMP.algebra.Vector3D(0, 0, 0)),
     ds[0].get_particle_index(), "0 at origin")
 
-r1 = IMP.core.SingletonRestraint(m, IMP.core.AttributeSingletonScore(h,
-                                                                  IMP.core.XYZ.get_xyz_keys(
-                                                                  )[0]),
-                                 ds[1].get_particle_index(), "1 on axis")
+r1 = IMP.core.SingletonRestraint(
+    m, IMP.core.AttributeSingletonScore(h, IMP.core.XYZ.get_xyz_keys()[0]),
+    ds[1].get_particle_index(), "1 on axis")
 
 rs = [r0, r1]
 for pr in [(0, 1), (1, 2), (0, 2)]:
-    r = IMP.core.PairRestraint(m,
-                 IMP.core.HarmonicSphereDistancePairScore(0, k),
-                 (ds[pr[0]].get_particle_index(),
-                  ds[pr[1]].get_particle_index()),
-                 "R for " + str(pr))
+    r = IMP.core.PairRestraint(
+        m, IMP.core.HarmonicSphereDistancePairScore(0, k),
+        (ds[pr[0]].get_particle_index(), ds[pr[1]].get_particle_index()),
+        "R for " + str(pr))
     rs.append(r)
 
 
@@ -66,6 +64,7 @@ def setup(cover, scale):
     sampler.set_log_level(IMP.SILENT)
     return (sampler, lf, pst)
 
+
 (sampler, lf, pst) = setup(covers[0], 4.0)
 
 subset = IMP.domino.Subset(ds)
@@ -82,6 +81,7 @@ def get_mapping(cover0, cover1):
         ret[nns].append(i)
     return ret
 
+
 mw = IMP.display.PymolWriter("mapping.pym")
 
 
diff --git a/modules/domino/examples/rigid_body_excluded_volume.py b/modules/domino/examples/rigid_body_excluded_volume.py
index 3f3d9ae1e3..27153b18c7 100644
--- a/modules/domino/examples/rigid_body_excluded_volume.py
+++ b/modules/domino/examples/rigid_body_excluded_volume.py
@@ -86,6 +86,7 @@ def display(m, helices, name):
         g.set_color(IMP.display.get_display_color(i))
         w.add_geometry(g)
 
+
 IMP.set_log_level(IMP.SILENT)
 print("creating representation")
 (m, helices) = create_representation()
diff --git a/modules/domino/examples/six_particles_optimization.py b/modules/domino/examples/six_particles_optimization.py
index a4ad09518d..9a2ae2844f 100644
--- a/modules/domino/examples/six_particles_optimization.py
+++ b/modules/domino/examples/six_particles_optimization.py
@@ -1,8 +1,8 @@
 ## \example domino/six_particles_optimization.py
-# Optimize six particles on a 2D unit grid. In order to remove translation degrees
-# of freedom, the 0th particle is pinned at the origin by allowing it only a
-# single conformation. To remove flips, the first particle is restrained to
-# have a positive x coordinate.
+# Optimize six particles on a 2D unit grid. In order to remove translation
+# degrees of freedom, the 0th particle is pinned at the origin by allowing
+# it only a single conformation. To remove flips, the first particle is
+# restrained to have a positive x coordinate.
 
 from __future__ import print_function
 import IMP
@@ -88,6 +88,7 @@ def create_sampler(m, r, pst):
 
     return s
 
+
 IMP.set_log_level(IMP.TERSE)
 m = IMP.Model()
 # don't print information during Model.evaluate
diff --git a/modules/em/examples/analyze_convergence.py b/modules/em/examples/analyze_convergence.py
index bab8931f32..139fb25dab 100644
--- a/modules/em/examples/analyze_convergence.py
+++ b/modules/em/examples/analyze_convergence.py
@@ -69,6 +69,7 @@
 opt = IMP.core.ConjugateGradients(m)
 opt.set_scoring_function(sf)
 
+
 def try_point(i, j, k):
     print("trying", i, j, k)
     vc = IMP.algebra.Vector3D(i, j, k)
@@ -93,6 +94,7 @@ def try_point(i, j, k):
     sg.set_name("converge")
     w.add_geometry(sg)
 
+
 try_point(-bd, -bd, -bd)
 
 # For a more informative (but much slower) test, use the following instead:
diff --git a/modules/em/examples/fit_restraint.py b/modules/em/examples/fit_restraint.py
index 58eae12c2c..146fef8d35 100644
--- a/modules/em/examples/fit_restraint.py
+++ b/modules/em/examples/fit_restraint.py
@@ -27,7 +27,8 @@
     IMP.em.get_example_path("input.mrc"), IMP.em.MRCReaderWriter())
 dmap.get_header_writable().set_resolution(resolution)
 # 3. calculate the cross correlation between the density and the map
-print("The cross-correlation score is:", 1. - IMP.em.compute_fitting_score(ps, dmap))
+print("The cross-correlation score is:",
+      1. - IMP.em.compute_fitting_score(ps, dmap))
 # 4. add a fitting restraint
 r = IMP.em.FitRestraint(ps, dmap)
 print("The fit of the particles in the density is:", r.evaluate(False))
diff --git a/modules/em/examples/generate_density_map_of_fixed_dimension.py b/modules/em/examples/generate_density_map_of_fixed_dimension.py
index b87b172dca..921bdf3b30 100644
--- a/modules/em/examples/generate_density_map_of_fixed_dimension.py
+++ b/modules/em/examples/generate_density_map_of_fixed_dimension.py
@@ -19,10 +19,6 @@
 resolution = 6.
 # compute bbox, and map size in voxels
 bbox = IMP.atom.get_bounding_box(mh)
-#diag            = bbox.get_corner(0) - bbox.get_corner(1)
-#nx              = int(bboxCoverage * diag[0] / apix)
-#ny              = int(bboxCoverage * diag[1] / apix)
-#nz              = int(bboxCoverage * diag[2] / apix)
 
 # create a density header of the requested size
 dheader = IMP.em.create_density_header(bbox, apix)
@@ -32,8 +28,8 @@
 dmap.set_particles(ps)
 # dmap.get_header_writable().set_number_of_voxels(nx,ny,nz)
 dmap.resample()
+# computes statistic stuff about the map and insert it in the
+# header
 dmap.calcRMS()
-             # computes statistic stuff about the map and insert it in the
-             # header
 print(dmap.get_header().show(), "\n")
 IMP.em.write_map(dmap, "map.mrc", IMP.em.MRCReaderWriter())
diff --git a/modules/em/examples/local_fitting.py b/modules/em/examples/local_fitting.py
index b375523143..9f1f0c80dd 100644
--- a/modules/em/examples/local_fitting.py
+++ b/modules/em/examples/local_fitting.py
@@ -90,8 +90,11 @@
 # 5.1 run local fitting
 print("performing local refinement, may run for 3-4 minutes")
 # translate the molecule to the center of the density
-IMP.core.transform(prot_rb, IMP.algebra.Transformation3D(
-    IMP.algebra.get_identity_rotation_3d(), dmap.get_centroid() - IMP.core.get_centroid(ps)))
+IMP.core.transform(
+    prot_rb,
+    IMP.algebra.Transformation3D(
+        IMP.algebra.get_identity_rotation_3d(),
+        dmap.get_centroid() - IMP.core.get_centroid(ps)))
 m.update()  # to make sure the transformation was applied
 sampled_input_density.resample()
 sampled_input_density.calcRMS()
@@ -99,10 +102,6 @@
 score2 = IMP.em.get_coarse_cc_coefficient(
     dmap, sampled_input_density, sampled_input_density.get_header().dmin)
 print("The score after centering is:", score2, "with rmsd of:", rmsd)
-# IMP.em.local_rigid_fitting_grid_search(
-#    ps,IMP.core.XYZR.get_radius_key(),
-#    IMP.atom.Mass.get_mass_key(),
-#    dmap,fitting_sols)
 
 refiner = IMP.core.LeavesRefiner(IMP.atom.Hierarchy.get_traits())
 fitting_sols = IMP.em.local_rigid_fitting(
@@ -115,13 +114,13 @@
 print("The start score is:", start_score, "with rmsd of:", start_rmsd)
 for i in range(fitting_sols.get_number_of_solutions()):
     IMP.core.transform(prot_rb, fitting_sols.get_transformation(i))
-    # prot_rb.set_reference_frame(IMP.algebra.ReferenceFrame3D(fitting_sols.get_transformation(i)))
     m.update()  # to make sure the transformation was applied
-# 5.2.2 calc rmsd to native configuration
+    # 5.2.2 calc rmsd to native configuration
     rmsd = IMP.atom.get_rmsd(
         IMP.core.XYZs(ps), IMP.core.XYZs(IMP.core.get_leaves(mh_ref)))
     IMP.atom.write_pdb(mh, "temp_" + str(i) + ".pdb")
-    print("Fit with index:", i, " with cc: ", 1. - fitting_sols.get_score(i), " and rmsd to native of:", rmsd)
+    print("Fit with index:", i, " with cc: ", 1. - fitting_sols.get_score(i),
+          " and rmsd to native of:", rmsd)
     IMP.atom.write_pdb(mh, "sol_" + str(i) + ".pdb")
     IMP.core.transform(
         prot_rb, fitting_sols.get_transformation(i).get_inverse())
diff --git a/modules/em/examples/pdb2density.py b/modules/em/examples/pdb2density.py
index 48ce31162d..11924f84aa 100644
--- a/modules/em/examples/pdb2density.py
+++ b/modules/em/examples/pdb2density.py
@@ -1,6 +1,7 @@
 ## \example em/pdb2density.py
 # A simple example showing how to simulate density from a protein.
-# IMP uses a Gaussian smoothing kernel. see SampledDensityMap::resample for documentation.
+# IMP uses a Gaussian smoothing kernel. see SampledDensityMap::resample
+# for documentation.
 #
 
 import IMP.em
diff --git a/modules/em2d/examples/clustering_of_pdb_models.py b/modules/em2d/examples/clustering_of_pdb_models.py
index a54ec287a8..c9b97a6ef4 100644
--- a/modules/em2d/examples/clustering_of_pdb_models.py
+++ b/modules/em2d/examples/clustering_of_pdb_models.py
@@ -14,7 +14,6 @@
 import IMP.core
 import IMP.atom
 import IMP.em2d
-import os
 import sys
 import csv
 
@@ -63,15 +62,11 @@ def argmin(sequence):
     min_value = sequence[0]
     min_index = 0
     for i in range(0, len(sequence)):
-#        print "argmin - checking ",sequence[i]
         if(sequence[i] < min_value):
             min_value = sequence[i]
             min_index = i
-#            print "argmin - selecting ",min_value,min_index
     return min_value, min_index
 
-#***************************
-
 
 fn_selection = IMP.em2d.get_example_path("all-models-1z5s.sel")
 fn_em2d_scores = IMP.em2d.get_example_path("em2d_scores_for_clustering.data")
@@ -139,7 +134,8 @@ def argmin(sequence):
         pdb_name = "cluster-%03d-elem-%03d.pdb" % (c, i)
 
         if(i != min_elem_id):
-            print("Writing element", i, "aligned to ", min_elem_id, ":", pdb_name)
+            print("Writing element", i, "aligned to ", min_elem_id, ":",
+                  pdb_name)
             T = IMP.core.Transform(transformations[i][min_elem_id])
             ps = IMP.atom.get_leaves(hierarchies[i])
             for p in ps:
diff --git a/modules/em2d/examples/em_images_conversion.py b/modules/em2d/examples/em_images_conversion.py
index 897c0ed623..80925023b0 100644
--- a/modules/em2d/examples/em_images_conversion.py
+++ b/modules/em2d/examples/em_images_conversion.py
@@ -4,7 +4,6 @@
 
 import IMP
 import IMP.em2d
-import os
 import sys
 
 IMP.setup_from_argv(sys.argv, "EM images conversion")
diff --git a/modules/em2d/examples/optimize_em2d_with_montecarlo.py b/modules/em2d/examples/optimize_em2d_with_montecarlo.py
index 7e268562ee..15180f11c5 100644
--- a/modules/em2d/examples/optimize_em2d_with_montecarlo.py
+++ b/modules/em2d/examples/optimize_em2d_with_montecarlo.py
@@ -9,7 +9,6 @@
 import IMP.em2d
 import IMP.algebra
 import IMP.container
-import random
 import sys
 
 IMP.setup_from_argv(sys.argv, "optimize EM2D with MonteCarlo")
@@ -30,8 +29,6 @@ def update(self):
             return
         else:
             self.count = 0
-        o = self.get_optimizer()
-        m = o.get_model()
         for r in self.restraints:
             print(r.get_name(), r.get_last_score())
         # for i in range(0,m.get_number_of_restraints()):
@@ -58,8 +55,8 @@ def update(self):
     rbd = IMP.core.RigidBody.setup_particle(c, atoms)
     rbd.set_coordinates_are_optimized(True)
     rigid_bodies.append(rbd)
-    print("chain has", rbd.get_number_of_members(), \
-        "atoms", "coordinates: ", rbd.get_coordinates())
+    print("chain has", rbd.get_number_of_members(),
+          "atoms", "coordinates: ", rbd.get_coordinates())
     native_chain_centers.append(rbd.get_coordinates())
 
 bb = IMP.algebra.BoundingBox3D(IMP.algebra.Vector3D(-25, -40, -60),
@@ -80,30 +77,30 @@ def update(self):
 print("Writing transformed assembly")
 IMP.atom.write_pdb(prot, "1z5s-transformed.pdb")
 
-# set distance restraints measusring some distances between rigid bodies
+# set distance restraints measuring some distances between rigid bodies
 # for the solution.
 d01 = IMP.algebra.get_distance(
     native_chain_centers[0], native_chain_centers[1])
-r01 = IMP.core.DistanceRestraint(m,
-    IMP.core.Harmonic(d01, 1), chains[0], chains[1])
+r01 = IMP.core.DistanceRestraint(
+    m, IMP.core.Harmonic(d01, 1), chains[0], chains[1])
 r01.set_name("distance 0-1")
 d12 = IMP.algebra.get_distance(
     native_chain_centers[1], native_chain_centers[2])
-r12 = IMP.core.DistanceRestraint(m,
-    IMP.core.Harmonic(d12, 1), chains[1], chains[2])
+r12 = IMP.core.DistanceRestraint(
+    m, IMP.core.Harmonic(d12, 1), chains[1], chains[2])
 r12.set_name("distance 1-2")
 d23 = IMP.algebra.get_distance(
     native_chain_centers[2], native_chain_centers[3])
-r23 = IMP.core.DistanceRestraint(m,
-    IMP.core.Harmonic(d23, 1), chains[2], chains[3])
+r23 = IMP.core.DistanceRestraint(
+    m, IMP.core.Harmonic(d23, 1), chains[2], chains[3])
 r23.set_name("distance 2-3")
 d30 = IMP.algebra.get_distance(
     native_chain_centers[3], native_chain_centers[0])
-r30 = IMP.core.DistanceRestraint(m,
-    IMP.core.Harmonic(d30, 1), chains[3], chains[0])
+r30 = IMP.core.DistanceRestraint(
+    m, IMP.core.Harmonic(d30, 1), chains[3], chains[0])
 r30.set_name("distance 3-0")
-print("Distances in the solution: d01 =", \
-    d01, "d12 =", d12, "d23 =", d23, "d30 =", d30)
+print("Distances in the solution: d01 =",
+      d01, "d12 =", d12, "d23 =", d23, "d30 =", d30)
 
 # set em2D restraint
 srw = IMP.em2d.SpiderImageReaderWriter()
@@ -181,13 +178,13 @@ def update(self):
 print("*** End optimization ***")
 new_centers = []
 for rbd in rigid_bodies:
-    print("chain has", rbd.get_number_of_members(), \
-        "atoms", "coordinates: ", rbd.get_coordinates())
+    print("chain has", rbd.get_number_of_members(),
+          "atoms", "coordinates: ", rbd.get_coordinates())
     new_centers.append(rbd.get_coordinates())
 
 d01 = IMP.algebra.get_distance(new_centers[0], new_centers[1])
 d12 = IMP.algebra.get_distance(new_centers[1], new_centers[2])
 d23 = IMP.algebra.get_distance(new_centers[2], new_centers[3])
 d30 = IMP.algebra.get_distance(new_centers[3], new_centers[0])
-print("Distances at the end of the optimization: d01 =", \
-    d01, "d12 =", d12, "d23 =", d23, "d30 =", d30)
+print("Distances at the end of the optimization: d01 =",
+      d01, "d12 =", d12, "d23 =", d23, "d30 =", d30)
diff --git a/modules/kernel/examples/basic_optimization.py b/modules/kernel/examples/basic_optimization.py
index ebe9c80385..5fac616be3 100644
--- a/modules/kernel/examples/basic_optimization.py
+++ b/modules/kernel/examples/basic_optimization.py
@@ -1,6 +1,6 @@
 ## \example kernel/basic_optimization.py
-# This illustrates a basic main loop for optimization and searching for the best
-# scoring conformation.
+# This illustrates a basic main loop for optimization and searching for the
+# best scoring conformation.
 #
 
 from __future__ import print_function
diff --git a/modules/kernel/examples/chain.py b/modules/kernel/examples/chain.py
index 4a60cae6f8..ea4f4c494f 100644
--- a/modules/kernel/examples/chain.py
+++ b/modules/kernel/examples/chain.py
@@ -6,7 +6,6 @@
 from __future__ import print_function
 import IMP.atom
 import IMP.core
-import random
 import RMF
 import IMP.container
 import IMP.rmf
diff --git a/modules/kernel/examples/dependency_graph.py b/modules/kernel/examples/dependency_graph.py
index 3ac2e170f1..04f24d98a9 100644
--- a/modules/kernel/examples/dependency_graph.py
+++ b/modules/kernel/examples/dependency_graph.py
@@ -1,5 +1,12 @@
 ## \example kernel/dependency_graph.py
-# When trying to understand what is going on in \imp, it can often be useful to view the dependency graph, that is, the graph showing how various entities relate to one another. In it, an arrow leads from an IMP::Container or IMP::Particle to an IMP::Restraint if the IMP::Restraint reads from that container or particle. Similarly, an arrow leads from an IMP::Container or IMP::Particle to an IMP::ScoreState if the score state reads from it, and an arrow leads from an IMP::ScoreState to an IMP::Container or IMP::Particle if the score state updates the particle.
+# When trying to understand what is going on in \imp, it can often be useful
+# to view the dependency graph, that is, the graph showing how various
+# entities relate to one another. In it, an arrow leads from an IMP::Container
+# or IMP::Particle to an IMP::Restraint if the IMP::Restraint reads from that
+# container or particle. Similarly, an arrow leads from an IMP::Container or
+# IMP::Particle to an IMP::ScoreState if the score state reads from it, and
+# an arrow leads from an IMP::ScoreState to an IMP::Container or IMP::Particle
+# if the score state updates the particle.
 #
 # The resulting pruned dependency graph is:
 # \dotgraph{ \dot
@@ -141,11 +148,10 @@ def create_representation():
 
     def create_protein(name, ds):
         h = IMP.atom.create_protein(m, name, 10, ds)
-        leaves = IMP.atom.get_leaves(h)
+        # leaves = IMP.atom.get_leaves(h)
         all.add_child(h)
-        r = IMP.atom.create_connectivity_restraint([IMP.atom.Selection(c)
-                                                    for c in h.get_children()],
-                                                   1)
+        r = IMP.atom.create_connectivity_restraint(
+            [IMP.atom.Selection(c) for c in h.get_children()], 1)
         if r:
             rs.append(r)
 
@@ -153,8 +159,8 @@ def create_protein_from_pdbs(name, files):
         def create_from_pdb(file):
             with IMP.SetLogState(IMP.NONE):
                 t = IMP.atom.read_pdb(
-                      IMP.get_example_path("data/" + file), m,
-                      IMP.atom.ATOMPDBSelector())
+                    IMP.get_example_path("data/" + file), m,
+                    IMP.atom.ATOMPDBSelector())
             # IMP.atom.show_molecular_hierarchy(t)
             c = IMP.atom.Chain(IMP.atom.get_by_type(t, IMP.atom.CHAIN_TYPE)[0])
             if c.get_number_of_children() == 0:
@@ -176,10 +182,8 @@ def create_from_pdb(file):
                 c = create_from_pdb(f)
                 h.add_child(c)
                 c.set_name(name + " chain " + str(i))
-            r = IMP.atom.create_connectivity_restraint([IMP.atom.Selection(c)
-                                                        for c in h.get_children(
-                                                        )],
-                                                       1)
+            r = IMP.atom.create_connectivity_restraint(
+                [IMP.atom.Selection(c) for c in h.get_children()], 1)
             if r:
                 rs.append(r)
         else:
@@ -221,8 +225,9 @@ def add_distance_restraint(s0, s1):
         IMP.atom.Selection(hierarchy=all, molecule="Nup120",
                            residue_indexes=range(500, 762)))
     add_distance_restraint(IMP.atom.Selection(hierarchy=all, molecule="Nup84"),
-                           IMP.atom.Selection(hierarchy=all, molecule="Nup133",
-                                              residue_indexes=range(778, 1160)))
+                           IMP.atom.Selection(
+                               hierarchy=all, molecule="Nup133",
+                               residue_indexes=range(778, 1160)))
     add_distance_restraint(IMP.atom.Selection(hierarchy=all, molecule="Nup85"),
                            IMP.atom.Selection(hierarchy=all, molecule="Seh1"))
     add_distance_restraint(
@@ -230,14 +235,15 @@ def add_distance_restraint(s0, s1):
                            residue_indexes=range(0, 423)),
         IMP.atom.Selection(hierarchy=all, molecule="Sec13"))
 
+
 # now do the actual work
 (m, rs, all) = create_representation()
 create_restraints(m, rs, all)
 
 sf = IMP.core.RestraintsScoringFunction(rs)
 
-# we can get the full dependency graph for the whole model with all the restraints
-# but it is pretty complex
+# we can get the full dependency graph for the whole model with all
+# the restraints but it is pretty complex
 dg = IMP.get_dependency_graph(m)
 IMP.show_graphviz(dg)
 
diff --git a/modules/kernel/examples/graph.py b/modules/kernel/examples/graph.py
index d2514d128b..27092d8a85 100644
--- a/modules/kernel/examples/graph.py
+++ b/modules/kernel/examples/graph.py
@@ -35,7 +35,7 @@
     xg = IMP.get_networkx_graph(g)
 
     # the networkx visualization tools suck, so skip them
-    #import networkx
+    # import networkx
     # networkx.draw(xg)
     # networkx.draw_shell(xg)
     # matplotlib.pyplot.show()
diff --git a/modules/kernel/examples/log.py b/modules/kernel/examples/log.py
index ae7e3fc356..87c34eaec5 100644
--- a/modules/kernel/examples/log.py
+++ b/modules/kernel/examples/log.py
@@ -6,6 +6,7 @@
 
 IMP.setup_from_argv(sys.argv, "Log example")
 
+
 class DummyObject(IMP.Object):
 
     def __init__(self):
@@ -21,6 +22,7 @@ def add_log(self):
                 IMP.add_to_log(IMP.VERBOSE,
                                "A verbose message in the object\n")
 
+
 # we can set the log level for all of IMP
 IMP.set_log_level(IMP.TERSE)
 
diff --git a/modules/kernel/examples/write_a_restraint.py b/modules/kernel/examples/write_a_restraint.py
index 39bac8ef8f..271fae222e 100644
--- a/modules/kernel/examples/write_a_restraint.py
+++ b/modules/kernel/examples/write_a_restraint.py
@@ -1,5 +1,7 @@
 ## \example kernel/write_a_restraint.py
-# While we do not recommend doing serious work using restraints written in Python, it is often useful when prototyping or testing code. Copy this example and modify as needed.
+# While we do not recommend doing serious work using restraints written
+# in Python, it is often useful when prototyping or testing code.
+# Copy this example and modify as needed.
 #
 
 from __future__ import print_function
@@ -38,6 +40,7 @@ def unprotected_evaluate(self, da):
     def do_get_inputs(self):
         return self.ps
 
+
 # some code to create and evaluate it
 k = IMP.FloatKey("a key")
 m = IMP.Model()
diff --git a/modules/kernel/examples/write_an_optimizer_state.py b/modules/kernel/examples/write_an_optimizer_state.py
index 74925db650..0825c806f9 100644
--- a/modules/kernel/examples/write_an_optimizer_state.py
+++ b/modules/kernel/examples/write_an_optimizer_state.py
@@ -11,7 +11,7 @@
 
 
 class MyOptimizerState(IMP.OptimizerState):
-    """An optimizer state which prints out the last scores of some restraints"""
+    "An optimizer state which prints out the last scores of some restraints"
 
     def __init__(self, rs):
         IMP.OptimizerState.__init__(self, rs[0].get_model(),
@@ -22,6 +22,7 @@ def update(self):
         for r in self.rs:
             print(r.get_name(), r.get_last_score())
 
+
 # some code to create and evaluate it
 k = IMP.FloatKey("a key")
 m = IMP.Model()
diff --git a/modules/kmeans/examples/kmeans_example.py b/modules/kmeans/examples/kmeans_example.py
index fe447700b1..fd6808c6ac 100644
--- a/modules/kmeans/examples/kmeans_example.py
+++ b/modules/kmeans/examples/kmeans_example.py
@@ -22,6 +22,7 @@ def add_points(km):
     km.add_data_pt([9.2, 11])
     km.add_data_pt([0, 0])
 
+
 IMP.set_log_level(IMP.PROGRESS)
 km = IMP.kmeans.KMeans()
 add_points(km)
@@ -43,5 +44,5 @@ def add_points(km):
 for i in range(0, n):
     print("Point ", i, ": ")
     print(km.get_data_point(i))
-    print("Cluster center: ", assignments[i], \
-        " sqrt-dist: ", sqrdist[i])
+    print("Cluster center: ", assignments[i],
+          " sqrt-dist: ", sqrdist[i])
diff --git a/modules/misc/examples/decay.py b/modules/misc/examples/decay.py
index 674b260eb5..02ba0e03a6 100644
--- a/modules/misc/examples/decay.py
+++ b/modules/misc/examples/decay.py
@@ -10,12 +10,13 @@
 import IMP.example
 import sys
 import IMP.rmf
-#import IMP.benchmark
 import RMF
 import random
 
 IMP.setup_from_argv(
-    sys.argv, "Use the IMP::misc::DecayPairContainerOptimizerState to gradually break the bonds in a bd simulation")
+    sys.argv,
+    "Use the IMP::misc::DecayPairContainerOptimizerState to gradually "
+    "break the bonds in a bd simulation")
 
 if IMP.get_bool_flag("run_quick_test"):
     np = 8
@@ -38,7 +39,8 @@
 for i in range(0, np):
     p = m.add_particle("p")
     d = IMP.core.XYZR.setup_particle(m, p)
-    d.set_coordinates(IMP.algebra.Vector3D(10. * (i/10), 10. * (i%10), 10.))
+    d.set_coordinates(
+        IMP.algebra.Vector3D(10. * (i / 10), 10. * (i % 10), 10.))
     d.set_radius(10)
     d.set_coordinates_are_optimized(True)
     IMP.atom.Hierarchy.setup_particle(m, p)
diff --git a/modules/modeller/examples/load_modeller_model.py b/modules/modeller/examples/load_modeller_model.py
index 9f98ed14d6..83067debac 100644
--- a/modules/modeller/examples/load_modeller_model.py
+++ b/modules/modeller/examples/load_modeller_model.py
@@ -31,7 +31,7 @@
 # Load each Modeller static restraint, and each Modeller dynamic restraint
 # (soft-sphere in this case) in as an IMP.Restraint
 sf = IMP.core.RestraintsScoringFunction(
-             list(loader.load_static_restraints())
-           + list(loader.load_dynamic_restraints()))
+    list(loader.load_static_restraints())
+    + list(loader.load_dynamic_restraints()))
 
 print(sf.evaluate(False))
diff --git a/modules/rmf/examples/multiresolution.py b/modules/rmf/examples/multiresolution.py
index 63329a46f5..f39d4b57b5 100644
--- a/modules/rmf/examples/multiresolution.py
+++ b/modules/rmf/examples/multiresolution.py
@@ -44,6 +44,7 @@ def recursive_approximation(res):
         hc.add_child(mm)
     return [hc]
 
+
 for c in chains:
     res = IMP.atom.get_by_type(h, IMP.atom.RESIDUE_TYPE)
     for r in res:
diff --git a/modules/rotamer/examples/rotamer_pdb.py b/modules/rotamer/examples/rotamer_pdb.py
index b03a1a4655..e6eff87f43 100644
--- a/modules/rotamer/examples/rotamer_pdb.py
+++ b/modules/rotamer/examples/rotamer_pdb.py
@@ -1,8 +1,9 @@
 ## \example rotamer/rotamer_pdb.py
-# rotamer_pdb.py is a script demonstrating the usage of RotamerCalculator and RotamerLibrary.
-# It reads a PDB file and a rotamer library file, and tries to rotate the atoms based on the most
-# probable chi angles from the rotamer library. Then it saves the rotated atoms to a specified output
-# PDB file.
+# rotamer_pdb.py is a script demonstrating the usage of RotamerCalculator
+# and RotamerLibrary.
+# It reads a PDB file and a rotamer library file, and tries to rotate the
+# atoms based on the most probable chi angles from the rotamer library.
+# Then it saves the rotated atoms to a specified output PDB file.
 #
 # Usage:
 #
@@ -10,7 +11,7 @@
 #
 # Example (the result will be saved into transformed_1z5s_A.pdb):
 #
-# `../../../tools/imppy.sh python rotamer_pdb.py -i ../../atom/test/input/1z5s_A.pdb \
+# `python rotamer_pdb.py -i ../../atom/test/input/1z5s_A.pdb \
 # -l /path/to/ALL.bbdep.rotamers.lib -o transformed_1z5s_A.pdb`
 #
 
diff --git a/modules/rotamer/examples/rotamer_pdb2.py b/modules/rotamer/examples/rotamer_pdb2.py
index fb4227da76..1006ea264c 100644
--- a/modules/rotamer/examples/rotamer_pdb2.py
+++ b/modules/rotamer/examples/rotamer_pdb2.py
@@ -11,7 +11,7 @@
 #
 # Example (the result will be saved into transformed_1z5s_A.pdb):
 #
-# `../../../tools/imppy.sh python rotamer_pdb.py -i ../../atom/test/input/1z5s_A.pdb \
+# `python rotamer_pdb.py -i ../../atom/test/input/1z5s_A.pdb \
 # -l /path/to/ALL.bbdep.rotamers.lib -o transformed_1z5s_A.pdb`
 #
 
@@ -34,7 +34,7 @@ def transform(input_pdb, input_lib, output_pdb):
     # read the original PDB
     m = IMP.Model()
     orig_h = IMP.atom.read_pdb(input_pdb, m)
-    mh = IMP.atom.get_by_type(orig_h, IMP.atom.RESIDUE_TYPE)
+    # mh = IMP.atom.get_by_type(orig_h, IMP.atom.RESIDUE_TYPE)
 
     # transform...
     hps = IMP.core.HarmonicDistancePairScore(1, 100)
diff --git a/modules/saxs/examples/profile.py b/modules/saxs/examples/profile.py
index cd27d8e05b..4b3507dbe2 100644
--- a/modules/saxs/examples/profile.py
+++ b/modules/saxs/examples/profile.py
@@ -1,9 +1,13 @@
 ## \example saxs/profile.py
-# In this example, we read a protein from a PDB file and experimental profile file. Next we compute the theoretical profile from the PDB file and fit it to the experimental one.
+# In this example, we read a protein from a PDB file and experimental profile
+# file. Next we compute the theoretical profile from the PDB file and fit it
+# to the experimental one.
 #
-# This application is available as a web service at salilab.org/foxs. It is also available as C++ code in IMP/applications.
+# This application is available as a web service at salilab.org/foxs. It is
+# also available as C++ code in IMP/applications.
 #
-# The experimental data for lysozyme is taken from crysol program (www.embl-hamburg.de/ExternalInfo/Research/Sax/crysol.html)
+# The experimental data for lysozyme is taken from crysol program
+# (www.embl-hamburg.de/ExternalInfo/Research/Sax/crysol.html)
 #
 
 from __future__ import print_function
@@ -11,39 +15,38 @@
 import IMP.atom
 import IMP.core
 import IMP.saxs
-import os
 import sys
 
 IMP.setup_from_argv(sys.argv, "profile")
 
 m = IMP.Model()
 
-#! read PDB
+# read PDB
 mp = IMP.atom.read_pdb(IMP.saxs.get_example_path('6lyz.pdb'), m,
                        IMP.atom.NonWaterNonHydrogenPDBSelector())
 
-#! read experimental profile
+# read experimental profile
 exp_profile = IMP.saxs.Profile(IMP.saxs.get_example_path('lyzexp.dat'))
 
 print('min_q = ' + str(exp_profile.get_min_q()))
 print('max_q = ' + str(exp_profile.get_max_q()))
 print('delta_q = ' + str(exp_profile.get_delta_q()))
 
-#! select particles from the model
+# select particles from the model
 particles = IMP.atom.get_by_type(mp, IMP.atom.ATOM_TYPE)
 
-#! calculate SAXS profile
+# calculate SAXS profile
 model_profile = IMP.saxs.Profile()
 model_profile.calculate_profile(particles)
 model_profile.write_SAXS_file('6lyz.dat')
 
-#! calculate chi score (should be ~0.5 for this example)
+# calculate chi score (should be ~0.5 for this example)
 saxs_score = IMP.saxs.ProfileFitterChi(exp_profile)
 chi = saxs_score.compute_score(model_profile)
 print('Chi = ' + str(chi))
 
 
-#! convert to p(r)
+# convert to p(r)
 pr = IMP.saxs.RadialDistributionFunction(0.5)
 model_profile.profile_2_distribution(pr, 48.0)
 pr.normalize()
diff --git a/modules/saxs/examples/profile_fit.py b/modules/saxs/examples/profile_fit.py
index e7e8920523..852ddab435 100644
--- a/modules/saxs/examples/profile_fit.py
+++ b/modules/saxs/examples/profile_fit.py
@@ -1,9 +1,15 @@
 ## \example saxs/profile_fit.py
-# In this example, we read a protein from a PDB file and experimental profile file. Next we compute the theoretical profile from the PDB file and fit it to the experimental one. Unlike in profile.py example, here we fit the profile with adjustment of the excluded volume and hydration layer density of the molecule.
+# In this example, we read a protein from a PDB file and experimental profile
+# file. Next we compute the theoretical profile from the PDB file and fit it
+# to the experimental one. Unlike in profile.py example, here we fit the
+# profile with adjustment of the excluded volume and hydration layer density
+# of the molecule.
 #
-# This application is available as a web service at salilab.org/foxs. It is also available as C++ code in IMP/applications.
+# This application is available as a web service at salilab.org/foxs. It is
+# also available as C++ code in IMP/applications.
 #
-# The experimental data for lysozyme is taken from crysol program (www.embl-hamburg.de/ExternalInfo/Research/Sax/crysol.html)
+# The experimental data for lysozyme is taken from crysol program
+# (www.embl-hamburg.de/ExternalInfo/Research/Sax/crysol.html)
 #
 
 from __future__ import print_function
@@ -11,28 +17,27 @@
 import IMP.atom
 import IMP.core
 import IMP.saxs
-import os
 import sys
 
 IMP.setup_from_argv(sys.argv, "profile fit")
 
 m = IMP.Model()
 
-#! read PDB
+# read PDB
 mp = IMP.atom.read_pdb(IMP.saxs.get_example_path('6lyz.pdb'), m,
                        IMP.atom.NonWaterNonHydrogenPDBSelector(), True, True)
 
-#! read experimental profile
+# read experimental profile
 exp_profile = IMP.saxs.Profile(IMP.saxs.get_example_path('lyzexp.dat'))
 
 print('min_q = ' + str(exp_profile.get_min_q()))
 print('max_q = ' + str(exp_profile.get_max_q()))
 print('delta_q = ' + str(exp_profile.get_delta_q()))
 
-#! select particles from the model
+# select particles from the model
 particles = IMP.atom.get_by_type(mp, IMP.atom.ATOM_TYPE)
 
-#! add radius for water layer computation
+# add radius for water layer computation
 ft = IMP.saxs.get_default_form_factor_table()
 for i in range(0, len(particles)):
     radius = ft.get_radius(particles[i])
@@ -41,18 +46,19 @@
 s = IMP.saxs.SolventAccessibleSurface()
 surface_area = s.get_solvent_accessibility(IMP.core.XYZRs(particles))
 
-#! calculate SAXS profile
+# calculate SAXS profile
 delta_q = 0.5 / 500
 model_profile = IMP.saxs.Profile(0.0, 0.5, delta_q)
 model_profile.calculate_profile_partial(particles, surface_area)
 # model_profile.write_SAXS_file('6lyz.dat')
 
-#! calculate chi-square score (should be ~0.25 for this example)
+# calculate chi-square score (should be ~0.25 for this example)
 saxs_score = IMP.saxs.ProfileFitterChi(exp_profile)
 chi = saxs_score.compute_score(model_profile)
 print('Chi without parameter fitting = ' + str(chi))
 
 chi = (saxs_score.fit_profile(model_profile)).get_chi_square()
-print('Chi after adjustment of excluded volume and water layer parameters = ' + str(chi))
+print('Chi after adjustment of excluded volume and water layer parameters = '
+      + str(chi))
 saxs_score.fit_profile(model_profile, 0.95, 1.05, -2.0, 4.0, False,
                        '6lyz_fitted.dat')
diff --git a/modules/statistics/examples/write_a_metric.py b/modules/statistics/examples/write_a_metric.py
index 1cbece7181..e65722041d 100644
--- a/modules/statistics/examples/write_a_metric.py
+++ b/modules/statistics/examples/write_a_metric.py
@@ -11,7 +11,8 @@
 
 class MyMetric(IMP.statistics.Metric):
 
-    """Define a metric on a list of floating point numbers based on their difference"""
+    """Define a metric on a list of floating point numbers based on
+       their difference"""
 
     def __init__(self, nums):
         """Store the list of numbers to measure distances between"""
@@ -19,7 +20,7 @@ def __init__(self, nums):
         self._nums = nums
 
     def get_distance(self, i, j):
-        """Return the magnitude of the distance between the ith and jth number"""
+        "Return the magnitude of the distance between the ith and jth number"
         return math.fabs(self._nums[i] - self._nums[j])
 
     def get_number_of_items(self):
diff --git a/modules/symmetry/examples/BallMover.py b/modules/symmetry/examples/BallMover.py
index e1cf524add..337b7bf047 100755
--- a/modules/symmetry/examples/BallMover.py
+++ b/modules/symmetry/examples/BallMover.py
@@ -21,8 +21,8 @@
 ps = []
 for i in range(2):
     p = m.add_particle("P%d" % i)
-    d = IMP.core.XYZR.setup_particle(m, p,
-                                     IMP.algebra.Sphere3D(IMP.algebra.Vector3D(0., 0., 0.), 1.0))
+    d = IMP.core.XYZR.setup_particle(
+        m, p, IMP.algebra.Sphere3D(IMP.algebra.Vector3D(0., 0., 0.), 1.0))
     d.set_coordinates_are_optimized(True)
     ps.append(p)
 
@@ -48,7 +48,7 @@
 movers = []
 # symmetry mover with ps[0] being the master particle
 movers.append(IMP.symmetry.BallMover(m.get_particle(ps[0]),
-                              [m.get_particle(ps[1])], 1.0, ctrs, trs))
+                                     [m.get_particle(ps[1])], 1.0, ctrs, trs))
 # normal BallMover for the other particle
 movers.append(IMP.core.BallMover(m, ps[1], 1.0))
 # serial mover

From e0423c5b757018c5e308ffa2245c36b6858fc5d3 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 9 Jun 2021 11:07:21 -0700
Subject: [PATCH 023/250] Don't use removed particle methods

---
 modules/container/examples/filter_close_pairs.py | 4 ++--
 modules/container/test/test_distribute.py        | 8 ++++----
 modules/container/test/test_pred_restraint.py    | 6 +++---
 3 files changed, 9 insertions(+), 9 deletions(-)

diff --git a/modules/container/examples/filter_close_pairs.py b/modules/container/examples/filter_close_pairs.py
index be1b79dd37..c4b6599d16 100644
--- a/modules/container/examples/filter_close_pairs.py
+++ b/modules/container/examples/filter_close_pairs.py
@@ -40,8 +40,8 @@ class ConsecutiveFilter(IMP.PairPredicate):
     def __init__(self):
         IMP.PairPredicate.__init__(self, "ConsecutiveFilter%1%")
 
-    def get_value(self, pp):
-        diff = pp[0].get_value(ik) - pp[1].get_value(ik)
+    def get_value_index(self, m, pp):
+        diff = m.get_attribute(ik, pp[0]) - m.get_attribute(ik, pp[1])
         if diff == -1 or diff == 1:
             return 1
         return 0
diff --git a/modules/container/test/test_distribute.py b/modules/container/test/test_distribute.py
index 43f368ecb3..0cf4dfaf96 100644
--- a/modules/container/test/test_distribute.py
+++ b/modules/container/test/test_distribute.py
@@ -9,8 +9,8 @@
 
 class Odd(IMP.SingletonPredicate):
 
-    def get_value(self, p):
-        return p.get_value(ik) % 2
+    def get_value_index(self, m, p):
+        return m.get_attribute(ik, p) % 2
 
     def do_get_inputs(self, m, pis):
         return [m.get_particle(i) for i in pis]
@@ -18,8 +18,8 @@ def do_get_inputs(self, m, pis):
 
 class Mod5(IMP.SingletonPredicate):
 
-    def get_value(self, p):
-        return p.get_value(ik) % 5
+    def get_value_index(self, m, p):
+        return m.get_attribute(ik, p) % 5
 
     def do_get_inputs(self, m, pis):
         return [m.get_particle(i) for i in pis]
diff --git a/modules/container/test/test_pred_restraint.py b/modules/container/test/test_pred_restraint.py
index 6c4e8cee7c..1430b1a550 100644
--- a/modules/container/test/test_pred_restraint.py
+++ b/modules/container/test/test_pred_restraint.py
@@ -14,8 +14,8 @@ class Pred(IMP.PairPredicate):
     def __init__(self):
         IMP.PairPredicate.__init__(self)
 
-    def get_value(self, pp):
-        return pp[0].get_value(tk) + pp[1].get_value(tk)
+    def get_value_index(self, m, pp):
+        return m.get_attribute(tk, pp[0]) + m.get_attribute(tk, pp[1])
 
     def do_get_inputs(self, m, pis):
         return [m.get_particle(i) for i in pis]
@@ -30,7 +30,7 @@ def __init__(self, v):
         IMP.PairScore.__init__(self)
 
     def evaluate_index(self, m, pp, da):
-        if self._pred.get_value(IMP.get_particles(m, pp)) == self._value:
+        if self._pred.get_value_index(m, pp) == self._value:
             return 0
         else:
             print("uh oh", m.get_attribute(tk, pp[0]),

From 7fb48efce7dd316bd14b01e0981d30ea26789677 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 9 Jun 2021 12:12:09 -0700
Subject: [PATCH 024/250] Remove LongLike test

Objects that implement only __long__ but not __int__
are not considered 'numbers' by Python 2.
---
 modules/kernel/test/test_attributes.py | 18 ------------------
 1 file changed, 18 deletions(-)

diff --git a/modules/kernel/test/test_attributes.py b/modules/kernel/test/test_attributes.py
index 682a93fddd..43ea506aba 100644
--- a/modules/kernel/test/test_attributes.py
+++ b/modules/kernel/test/test_attributes.py
@@ -1,6 +1,5 @@
 import IMP
 import IMP.test
-import sys
 
 
 xkey = IMP.FloatKey("x")
@@ -19,16 +18,6 @@ def __index__(self):
         return self.val
 
 
-if sys.version_info[0] == 2:
-    class LongLike(object):
-        def __init__(self, val):
-            self.val = val
-        def __index__(self):
-            return self.val
-        def __long__(self):
-            return self.val
-
-
 class Tests(IMP.test.TestCase):
 
     """Test particles"""
@@ -55,15 +44,8 @@ def test_intlike(self):
         isk = IMP.IntsKey("hi")
         m.add_attribute(ik, p.get_index(), IntLike(1))
         self.assertEqual(m.get_attribute(ik, p.get_index()), 1)
-        if sys.version_info[0] == 2:
-            m.set_attribute(ik, p.get_index(), LongLike(42))
-            self.assertEqual(m.get_attribute(ik, p.get_index()), 42)
-
         m.add_attribute(isk, p.get_index(), [IntLike(9)])
         self.assertEqual(m.get_attribute(isk, p.get_index()), [9])
-        if sys.version_info[0] == 2:
-            m.set_attribute(isk, p.get_index(), [LongLike(99)])
-            self.assertEqual(m.get_attribute(isk, p.get_index()), [99])
 
 
 if __name__ == '__main__':

From 34bc66ca5f98a02761f5871cea88e08a558904dc Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 9 Jun 2021 14:15:01 -0700
Subject: [PATCH 025/250] Squashed 'modules/pmi/' changes from
 7578bf3c97..1e95380381

1e95380381 Correct issues noted by flake8
bc61a9e241 Drop old Travis/IMP logic
04ea300991 Ignore Mac junk
5f7763166e New conda package uses Python 3.9
8e58f363b4 Use new imp-nightly package that uses conda-forge

git-subtree-dir: modules/pmi
git-subtree-split: 1e9538038174b794bb9f8a20f25c767dc96265b7
---
 modules/pmi/.github/workflows/build.yml |   7 +-
 modules/pmi/.gitignore                  |   1 +
 modules/pmi/examples/ambiguity.py       | 100 +++++++++++++-----------
 modules/pmi/examples/atomistic.py       |  33 ++++----
 modules/pmi/examples/automatic.py       |  60 +++++++-------
 modules/pmi/examples/em.py              |  63 +++++++++------
 modules/pmi/examples/ideal_helix.py     |   6 +-
 modules/pmi/examples/membrane.py        |  17 ++--
 modules/pmi/examples/multiscale.py      |  73 +++++++++--------
 modules/pmi/examples/selection.py       |  61 +++++++++------
 modules/pmi/examples/symmetry.py        |  37 +++++----
 modules/pmi/tools/setup_ci.sh           |  16 ++++
 modules/pmi/tools/setup_travis.sh       |  24 ------
 13 files changed, 272 insertions(+), 226 deletions(-)
 create mode 100755 modules/pmi/tools/setup_ci.sh
 delete mode 100755 modules/pmi/tools/setup_travis.sh

diff --git a/modules/pmi/.github/workflows/build.yml b/modules/pmi/.github/workflows/build.yml
index 2fdb779498..9785fb9384 100644
--- a/modules/pmi/.github/workflows/build.yml
+++ b/modules/pmi/.github/workflows/build.yml
@@ -13,7 +13,7 @@ jobs:
       fail-fast: false
       matrix:
         os: [ubuntu-latest]
-        python-version: [2.7, 3.8]
+        python-version: [2.7, 3.9]
     runs-on: ${{ matrix.os }}
 
     steps:
@@ -22,10 +22,9 @@ jobs:
         submodules: true
     - name: Setup conda and dependencies
       run: |
-        tools/setup_travis.sh ${{ matrix.python-version }}
+        tools/setup_ci.sh ${{ matrix.python-version }}
     - name: Test
       run: |
-        export IMP_TMP_DIR=/tmp
         eval "$(conda shell.bash hook)"
         conda activate python${{ matrix.python-version }}
         rm -f ${CONDA_PREFIX}/lib/libimp_pmi.so* ${CONDA_PREFIX}/lib/_IMP_pmi.so
@@ -36,6 +35,6 @@ jobs:
         if test "${{ matrix.python-version }}" = "2.7" ; then PY2=on; else PY2=off; fi
         cmake .. -DIMP_DIR=${CONDA_PREFIX}/lib/cmake/IMP -DUSE_PYTHON2=${PY2} -DCMAKE_CXX_FLAGS="-fprofile-arcs -ftest-coverage"
         make
-        ./setup_environment.sh py.test --cov=.. --cov-branch --cov-report=xml -v ../test/test_*.py ../test/medium_test_*.py test/*/*.py
+        ./setup_environment.sh pytest --cov=.. --cov-branch --cov-report=xml -v ../test/test_*.py ../test/medium_test_*.py test/*/*.py
         flake8 ../pyext/src/
     - uses: codecov/codecov-action@v1
diff --git a/modules/pmi/.gitignore b/modules/pmi/.gitignore
index 439f40425b..df9717834a 100644
--- a/modules/pmi/.gitignore
+++ b/modules/pmi/.gitignore
@@ -1,4 +1,5 @@
 *.pyc
+.DS_Store
 *~
 ~.orig
 *~
diff --git a/modules/pmi/examples/ambiguity.py b/modules/pmi/examples/ambiguity.py
index 07efde6e3a..8f61ff821d 100644
--- a/modules/pmi/examples/ambiguity.py
+++ b/modules/pmi/examples/ambiguity.py
@@ -1,8 +1,10 @@
 ## \example pmi/ambiguity.py
-"""This script shows how to create a system with multiple copies of the same molecule.
+"""This script shows how to create a system with multiple copies of the
+same molecule.
 We also create some cross-links which take into account the ambiguity.
 The key to ambiguity is using the same molecule name for ambiguous copies.
-That way when you perform Selection it automatically finds all relevant molecules.
+That way when you perform Selection it automatically finds all relevant
+molecules.
 """
 
 import IMP
@@ -21,50 +23,52 @@
 
 IMP.setup_from_argv(sys.argv, "ambiguity example")
 
-###################### SYSTEM SETUP #####################
+# ##################### SYSTEM SETUP #####################
 
-### Setup multistate system
+# Setup multistate system
 mdl = IMP.Model()
 s = IMP.pmi.topology.System(mdl)
 st1 = s.create_state()
 st2 = s.create_state()
 
-### For each state add some molecules - we'll make some bead only structures
+# For each state add some molecules - we'll make some bead only structures
 # State 1: ProtA (chainA), ProtA (chainB), ProtC (chainC)
 sequence = 'A'*10
-m1A = st1.create_molecule('ProtA',sequence,chain_id='A')
-m1A.add_representation(m1A,resolutions=[1])
-m1B = m1A.create_clone(chain_id='B') # create_clone() will copy name/structure/representation
-                                     # You cannot edit it!
-                                     # There is also a function create_copy() which
-                                     #  only copies the name, then you can change reps
-m1C = st1.create_molecule('ProtC',sequence,chain_id='C')
-m1C.add_representation(m1C,resolutions=[1])
+m1A = st1.create_molecule('ProtA', sequence, chain_id='A')
+m1A.add_representation(m1A, resolutions=[1])
+# create_clone() will copy name/structure/representation
+# You cannot edit it!
+# There is also a function create_copy() which
+# only copies the name, then you can change reps
+m1B = m1A.create_clone(chain_id='B')
+m1C = st1.create_molecule('ProtC', sequence, chain_id='C')
+m1C.add_representation(m1C, resolutions=[1])
 
 # State 2: ProtA (chainA), ProtC (chainC)
-m2A = st2.create_molecule('ProtA',sequence,chain_id='A')
-m2A.add_representation(m2A,resolutions=[1])
-m2C = st2.create_molecule('ProtC',sequence,chain_id='C')
-m2C.add_representation(m2C,resolutions=[1])
+m2A = st2.create_molecule('ProtA', sequence, chain_id='A')
+m2A.add_representation(m2A, resolutions=[1])
+m2C = st2.create_molecule('ProtC', sequence, chain_id='C')
+m2C.add_representation(m2C, resolutions=[1])
 root_hier = s.build()
 
-### Display all the states, molecules, representations
+# Display all the states, molecules, representations
 IMP.atom.show_with_representations(root_hier)
 
-### Setup all molecules to move as flexible beads and super rigid bodies
-#  "Super rigid bodies" aren't really rigid, it's just a mover that moves the whole body together
+# Setup all molecules to move as flexible beads and super rigid bodies
+#  "Super rigid bodies" aren't really rigid, it's just a mover that
+#  moves the whole body together
 dof = IMP.pmi.dof.DegreesOfFreedom(mdl)
-for mol in (m1A,m1B,m1C,m2A,m2C):
-    dof.create_flexible_beads(mol,
-                              max_trans=0.1)
+for mol in (m1A, m1B, m1C, m2A, m2C):
+    dof.create_flexible_beads(mol, max_trans=0.1)
     dof.create_super_rigid_body(mol)
 
 
-###################### RESTRAINTS #####################
-output_objects = [] # keep a list of functions that need to be reported
+# ##################### RESTRAINTS #####################
+output_objects = []  # keep a list of functions that need to be reported
 
-### Crosslinks setup
-# 1) Create file. This one XL has 3 ambiguity options: State1 has 2, State2 has 1
+# Crosslinks setup
+# 1) Create file. This one XL has 3 ambiguity options: State1 has 2,
+#    State2 has 1
 lines = '''id,mol1,res1,mol2,res2,score
 1,ProtA,3,ProtC,9,1.0
 '''
@@ -94,41 +98,45 @@
     slope=0.01)
 xlr.add_to_model()
 output_objects.append(xlr)
-dof.get_nuisances_from_restraint(xlr) # needed to sample the nuisance particles (noise params)
+# needed to sample the nuisance particles (noise params)
+dof.get_nuisances_from_restraint(xlr)
 
-### Connectivity keeps things connected along the backbone
+# Connectivity keeps things connected along the backbone
 crs = []
-for mol in (m1A,m1B,m1C,m2A,m2C):
+for mol in (m1A, m1B, m1C, m2A, m2C):
     cr = IMP.pmi.restraints.stereochemistry.ConnectivityRestraint(mol)
     cr.add_to_model()
     output_objects.append(cr)
 
-### Excluded volume - one for each state (they don't interact)
-evr1 = IMP.pmi.restraints.stereochemistry.ExcludedVolumeSphere(included_objects = (m1A,m1B,m1C))
+# Excluded volume - one for each state (they don't interact)
+evr1 = IMP.pmi.restraints.stereochemistry.ExcludedVolumeSphere(
+    included_objects=(m1A, m1B, m1C))
 evr1.add_to_model()
 output_objects.append(evr1)
-evr2 = IMP.pmi.restraints.stereochemistry.ExcludedVolumeSphere(included_objects = (m2A,m2C))
+evr2 = IMP.pmi.restraints.stereochemistry.ExcludedVolumeSphere(
+    included_objects=(m2A, m2C))
 evr2.add_to_model()
 output_objects.append(evr2)
 
-###################### SAMPLING #####################
+# ##################### SAMPLING #####################
 # randomize particles a bit
-IMP.pmi.tools.shuffle_configuration(root_hier,
-                                    max_translation=20)
+IMP.pmi.tools.shuffle_configuration(root_hier, max_translation=20)
 
 # Shift state 2
 # Even though the two states don't interact,
 #  it'll be easier to look at the RMF if we separate them
-trans = IMP.algebra.Transformation3D([50,0,0])
-for fb in IMP.core.get_leaves(m2A.get_hierarchy())+IMP.core.get_leaves(m2C.get_hierarchy()):
-    IMP.core.transform(IMP.core.XYZ(fb),trans)
+trans = IMP.algebra.Transformation3D([50, 0, 0])
+for fb in IMP.core.get_leaves(m2A.get_hierarchy()) + \
+        IMP.core.get_leaves(m2C.get_hierarchy()):
+    IMP.core.transform(IMP.core.XYZ(fb), trans)
 
 # Run replica exchange Monte Carlo sampling
-rex=IMP.pmi.macros.ReplicaExchange0(mdl,
-                                    root_hier=root_hier,                          # pass the root hierarchy
-                                    monte_carlo_sample_objects=dof.get_movers(),  # pass MC movers
-                                    global_output_directory='ambiguity_output/',
-                                    output_objects=output_objects,
-                                    monte_carlo_steps=10,
-                                    number_of_frames=1)     # increase number of frames to get better results!
+rex = IMP.pmi.macros.ReplicaExchange0(
+    mdl,
+    root_hier=root_hier,                          # pass the root hierarchy
+    monte_carlo_sample_objects=dof.get_movers(),  # pass MC movers
+    global_output_directory='ambiguity_output/',
+    output_objects=output_objects,
+    monte_carlo_steps=10,
+    number_of_frames=1)     # increase number of frames to get better results!
 rex.execute_macro()
diff --git a/modules/pmi/examples/atomistic.py b/modules/pmi/examples/atomistic.py
index 94ac9e64cc..edc8b8f7c4 100644
--- a/modules/pmi/examples/atomistic.py
+++ b/modules/pmi/examples/atomistic.py
@@ -27,14 +27,15 @@
 
 # Read sequences and create Molecules
 seqs = IMP.pmi.topology.Sequences(IMP.pmi.get_example_path('data/gcp2.fasta'))
-gcp2 = st1.create_molecule("GCP2",sequence=seqs["GCP2_YEAST"],chain_id='A')
+gcp2 = st1.create_molecule("GCP2", sequence=seqs["GCP2_YEAST"], chain_id='A')
 
-# Add structure. This function returns a list of the residues that now have structure
+# Add structure. This function returns a list of the residues that now
+# have structure
 a1 = gcp2.add_structure(IMP.pmi.get_example_path('data/gcp2.pdb'),
                         chain_id='A')
 
 # Add structured part representation and then build
-gcp2.add_representation(a1,resolutions=[0])
+gcp2.add_representation(a1, resolutions=[0])
 print('building molecule')
 hier = s.build()
 
@@ -44,8 +45,8 @@
 charmm.add_to_model()
 
 # add elastic network on secondary structure units
-sses = IMP.pmi.io.parse_dssp(IMP.pmi.get_example_path('data/gcp2.dssp'),'A',
-                             name_map={'A':'GCP2'})
+sses = IMP.pmi.io.parse_dssp(IMP.pmi.get_example_path('data/gcp2.dssp'), 'A',
+                             name_map={'A': 'GCP2'})
 all_rs = []
 for sse in sses['helix']+sses['beta']:
     er = IMP.pmi.restraints.stereochemistry.ElasticNetworkRestraint(
@@ -57,15 +58,19 @@
     all_rs.append(er)
     er.add_to_model()
 
-# seutp MD and run
+# setup MD and run
 dof = IMP.pmi.dof.DegreesOfFreedom(mdl)
 md_ps = dof.setup_md(gcp2)
-rex = IMP.pmi.macros.ReplicaExchange0(mdl,
-                                      root_hier=hier,
-                                      crosslink_restraints = all_rs,        #for visualizing SSEs in RMF
-                                      molecular_dynamics_sample_objects=md_ps,
-                                      molecular_dynamics_steps=5,
-                                      number_of_best_scoring_models=0,      # set >0 to store best PDB files (but this is slow to do online)
-                                      number_of_frames=1,                   # increase number of frames to get better results!
-                                      global_output_directory='atomistic_output/')
+rex = IMP.pmi.macros.ReplicaExchange0(
+    mdl,
+    root_hier=hier,
+    # for visualizing SSEs in RMF
+    crosslink_restraints=all_rs,
+    molecular_dynamics_sample_objects=md_ps,
+    molecular_dynamics_steps=5,
+    # set >0 to store best PDB files (but this is slow to do online)
+    number_of_best_scoring_models=0,
+    # increase number of frames to get better results!
+    number_of_frames=1,
+    global_output_directory='atomistic_output/')
 rex.execute_macro()
diff --git a/modules/pmi/examples/automatic.py b/modules/pmi/examples/automatic.py
index 901ac590db..0062330ed4 100644
--- a/modules/pmi/examples/automatic.py
+++ b/modules/pmi/examples/automatic.py
@@ -1,5 +1,6 @@
 ## \example pmi/automatic.py
-"""This script shows how to use the BuildSystem macro to construct large systems with minimal code
+"""This script shows how to use the BuildSystem macro to construct large
+   systems with minimal code
 """
 
 from __future__ import print_function
@@ -12,7 +13,8 @@
 import IMP.pmi.macros
 import IMP.pmi.restraints
 import IMP.pmi.restraints.stereochemistry
-import tempfile,os
+import tempfile
+import os
 import sys
 
 IMP.setup_from_argv(sys.argv, "Automatic setup of a large system")
@@ -23,10 +25,13 @@
 
 # This is the topology table format.
 #  It allows you to create many components in a simple way
-#  By default it sets up each molecule as a rigid body, filling in missing pieces with beads
-#  You can create multiple domains by specifying different segments, as in Rpb1 below
-#  You can also create copies of molecules by appending '.X' to the name, as in Rpb4 below
-topology='''
+#  By default it sets up each molecule as a rigid body, filling in missing
+#  pieces with beads
+#  You can create multiple domains by specifying different segments, as
+#  in Rpb1 below
+#  You can also create copies of molecules by appending '.X' to the name,
+#  as in Rpb4 below
+topology = '''
 |molecule_name|color|fasta_fn|fasta_id|pdb_fn|chain|residue_range|pdb_offset|bead_size|em_residues_per_gaussian|rigid_body|super_rigid_body|chain_of_super_rigid_bodies|
 |Rpb1  |blue      |1WCM.fasta|1WCM:A|1WCM_fitted.pdb|A|1,100  |0 |5|0 |1|1,2| |
 |Rpb1  |cyan      |1WCM.fasta|1WCM:A|BEADS          |A|101,150|0 |5|0 |2|1,2| |
@@ -39,25 +44,29 @@
 |Rpb5  |pink      |1WCM.fasta|1WCM:E|IDEAL_HELIX    | |51,100 |  |5|0 |8|1  | |
 '''
 
-# Normally the topology table is kept in a text file but here we just write it to a temporary one
+# Normally the topology table is kept in a text file but here we just write
+# it to a temporary one
 tf = tempfile.NamedTemporaryFile(delete=False, mode='w')
 tf.write(topology)
 tf.close()
 
-# The TopologyReader reads the text file, and the BuildSystem macro constructs it
+# The TopologyReader reads the text file, and the BuildSystem macro
+# constructs it
 mdl = IMP.Model()
-reader = IMP.pmi.topology.TopologyReader(tf.name,
-                                         pdb_dir = IMP.pmi.get_example_path('data/'),
-                                         fasta_dir = IMP.pmi.get_example_path('data/'),
-                                         gmm_dir = IMP.pmi.get_example_path('data/'))
+reader = IMP.pmi.topology.TopologyReader(
+    tf.name, pdb_dir=IMP.pmi.get_example_path('data/'),
+    fasta_dir=IMP.pmi.get_example_path('data/'),
+    gmm_dir=IMP.pmi.get_example_path('data/'))
 bs = IMP.pmi.macros.BuildSystem(mdl)
-bs.add_state(reader) # note you can call this multiple times to create a multi-state system
+# note you can call this multiple times to create a multi-state system
+bs.add_state(reader)
 hier, dof = bs.execute_macro()
 
-###################### RESTRAINTS #####################
-output_objects = [] # keep a list of functions that need to be reported
+# ##################### RESTRAINTS #####################
+output_objects = []  # keep a list of functions that need to be reported
 
-# Connectivity keeps things connected along the backbone (ignores if inside same rigid body)
+# Connectivity keeps things connected along the backbone (ignores if inside
+# same rigid body)
 crs = []
 moldict = bs.get_molecules()[0]
 mols = []
@@ -70,12 +79,13 @@
         mols.append(mol)
 
 # Excluded volume - automatically more efficient due to rigid bodies
-evr = IMP.pmi.restraints.stereochemistry.ExcludedVolumeSphere(included_objects = mols)
+evr = IMP.pmi.restraints.stereochemistry.ExcludedVolumeSphere(
+    included_objects=mols)
 evr.add_to_model()
 output_objects.append(evr)
 
 
-###################### SAMPLING #####################
+# ##################### SAMPLING #####################
 
 
 # mix it up so it looks cool
@@ -84,16 +94,10 @@
 # Quickly move all flexible beads into place
 dof.optimize_flexible_beads(100)
 
-rex=IMP.pmi.macros.ReplicaExchange0(mdl,
-                                    root_hier=hier,
-                                    monte_carlo_sample_objects=dof.get_movers(),
-                                    global_output_directory='auto_output/',
-                                    output_objects=output_objects,
-                                    monte_carlo_steps=10,
-                                    number_of_best_scoring_models=0,
-                                    number_of_frames=5)
+rex = IMP.pmi.macros.ReplicaExchange0(
+    mdl, root_hier=hier, monte_carlo_sample_objects=dof.get_movers(),
+    global_output_directory='auto_output/', output_objects=output_objects,
+    monte_carlo_steps=10, number_of_best_scoring_models=0, number_of_frames=5)
 rex.execute_macro()
 
-
-
 os.remove(tf.name)
diff --git a/modules/pmi/examples/em.py b/modules/pmi/examples/em.py
index 0def5c232a..8ca625d5b8 100644
--- a/modules/pmi/examples/em.py
+++ b/modules/pmi/examples/em.py
@@ -2,10 +2,12 @@
 """This script shows how to create DENSITY representations.
 and set up the Gaussian EM restraint.
 
-These representations are useful when you are doing EM fitting with rigid bodies.
+These representations are useful when you are doing EM fitting with
+rigid bodies.
 
 Preliminary step: you should convert your EM map to a GMM file
-with the command line utility create_gmm.py (located in isd/pyext/src/create_gmm.py):
+with the command line utility create_gmm.py
+(located in isd/pyext/src/create_gmm.py):
 python create_gmm.py emd_1883.mrc 50 emd_1883.gmm50.txt -m emd_1883.gmm50.mrc
 """
 
@@ -22,7 +24,7 @@
 
 IMP.setup_from_argv(sys.argv, "Set up the EM restraint")
 
-###################### SYSTEM SETUP #####################
+# ##################### SYSTEM SETUP #####################
 # Preliminaries
 mdl = IMP.Model()
 seqs = IMP.pmi.topology.Sequences(IMP.pmi.get_example_path('data/1WCM.fasta'))
@@ -30,44 +32,57 @@
 # Setup just one molecule
 s = IMP.pmi.topology.System(mdl)
 st = s.create_state()
-mol = st.create_molecule("Rpn4",sequence=seqs["1WCM:D"],chain_id="D")
-atomic_res = mol.add_structure(IMP.pmi.get_example_path('data/1WCM_fitted.pdb'),
-                           chain_id="D",
-                           offset=0)
+mol = st.create_molecule("Rpn4", sequence=seqs["1WCM:D"], chain_id="D")
+atomic_res = mol.add_structure(
+    IMP.pmi.get_example_path('data/1WCM_fitted.pdb'), chain_id="D", offset=0)
 
 # Below we create a GMM approximation for this moleucle
-# This "DENSITY" representation is used in the GaussianEMRestraint (and others in the future)
+# This "DENSITY" representation is used in the GaussianEMRestraint (and others
+# in the future)
 # For structure regions we "fit" GMM components to all atom centers
-mol.add_representation(atomic_res,
-                       resolutions=[1,10],
-                       density_residues_per_component=10, #how much to coarsen this representation
-                       density_prefix="Rpn4_gmm",         # will write a .txt and .mrc file forcomponent
-                       density_force_compute=False,       # set True if you want to overwrite
-                       density_voxel_size=3.0)            # set to 0 if you don't care about writing the map
-                                                          # if rasterizing takes too long, increase this value
+mol.add_representation(
+    atomic_res,
+    resolutions=[1, 10],
+    # how much to coarsen this representation
+    density_residues_per_component=10,
+    # will write a .txt and .mrc file forcomponent
+    density_prefix="Rpn4_gmm",
+    # set True if you want to overwrite
+    density_force_compute=False,
+    # set to 0 if you don't care about writing the map
+    # if rasterizing takes too long, increase this value
+    density_voxel_size=3.0)
 
-# for the unstructured regions, we simply decorate each bead AS a gaussian, so no fitting is necessary
+# for the unstructured regions, we simply decorate each bead AS a Gaussian,
+# so no fitting is necessary
 mol.add_representation(mol.get_non_atomic_residues(),
                        resolutions=[10],
-                       setup_particles_as_densities=True) # just set this flag, nothing is written
+                       # just set this flag, nothing is written
+                       setup_particles_as_densities=True)
 
 hier = s.build()
 
 # You can always check the representations with:
 IMP.atom.show_with_representations(hier)
 
-###################### RESTRAINTS #####################
+# ##################### RESTRAINTS #####################
 output_objects = []
 
 # To add the GaussianEMRestraint, first select all densities
-densities = IMP.atom.Selection(hier,representation_type=IMP.atom.DENSITIES).get_selected_particles()
+densities = IMP.atom.Selection(
+    hier, representation_type=IMP.atom.DENSITIES).get_selected_particles()
 emr = IMP.pmi.restraints.em.GaussianEMRestraint(
     densities,
-    target_fn=IMP.pmi.get_example_path('data/emd_1883.gmm50.txt'),  # created by user, see top of file
-    slope=0.01,                           # a small number, helps drag bits into map
-    scale_target_to_mass=False,           # if the model is the same size as map, usually set to True
-    target_mass_scale=100000,             # manually set the mass of the target map (remove if you set above to True)
-    weight=100.0)                         # the data weight
+    # created by user, see top of file
+    target_fn=IMP.pmi.get_example_path('data/emd_1883.gmm50.txt'),
+    # a small number, helps drag bits into map
+    slope=0.01,
+    # if the model is the same size as map, usually set to True
+    scale_target_to_mass=False,
+    # manually set the mass of the target map (remove if you set above to True)
+    target_mass_scale=100000,
+    # the data weight
+    weight=100.0)
 emr.add_to_model()
 output_objects.append(emr)
 mdl.update()
diff --git a/modules/pmi/examples/ideal_helix.py b/modules/pmi/examples/ideal_helix.py
index 930d057426..a13346decb 100644
--- a/modules/pmi/examples/ideal_helix.py
+++ b/modules/pmi/examples/ideal_helix.py
@@ -21,13 +21,13 @@
 
 # Create a molecule and add helix representation
 #  this makes a c-alpha chain in approximately the shape of a helix
-mol = st.create_molecule("example_helix",sequence='A'*20,chain_id='A')
+mol = st.create_molecule("example_helix", sequence='A'*20, chain_id='A')
 mol.add_representation(mol,
-                       resolutions=[1,10],
+                       resolutions=[1, 10],
                        ideal_helix=True)
 hier = s.build()
 
 # write a single-frame RMF to view the helix
 out = IMP.pmi.output.Output()
-out.init_rmf("example_helix.rmf3",hierarchies=[hier])
+out.init_rmf("example_helix.rmf3", hierarchies=[hier])
 out.write_rmf("example_helix.rmf3")
diff --git a/modules/pmi/examples/membrane.py b/modules/pmi/examples/membrane.py
index 8528d1da86..a1af2cf4aa 100644
--- a/modules/pmi/examples/membrane.py
+++ b/modules/pmi/examples/membrane.py
@@ -102,16 +102,13 @@
 ##############################
 
 frames = 10 if IMP.get_is_quick_test() else 2000
-rex = IMP.pmi.macros.ReplicaExchange0(model,
-                                      root_hier=hier,
-                                      crosslink_restraints=rmf_restraints,
-                                      monte_carlo_sample_objects=dof.get_movers(),
-                                      replica_exchange_maximum_temperature=3.0,
-                                      global_output_directory="output/",
-                                      output_objects=output_objects,
-                                      monte_carlo_steps=10,
-                                      number_of_frames=frames,
-                                      number_of_best_scoring_models=0)
+rex = IMP.pmi.macros.ReplicaExchange0(
+    model, root_hier=hier, crosslink_restraints=rmf_restraints,
+    monte_carlo_sample_objects=dof.get_movers(),
+    replica_exchange_maximum_temperature=3.0,
+    global_output_directory="output/", output_objects=output_objects,
+    monte_carlo_steps=10, number_of_frames=frames,
+    number_of_best_scoring_models=0)
 
 rex.execute_macro()
 exit()
diff --git a/modules/pmi/examples/multiscale.py b/modules/pmi/examples/multiscale.py
index 97374ab586..cc237840d3 100644
--- a/modules/pmi/examples/multiscale.py
+++ b/modules/pmi/examples/multiscale.py
@@ -1,5 +1,6 @@
 ## \example pmi/multiscale.py
-"""This script shows how to represent a system at multiple scales and do basic sampling.
+"""This script shows how to represent a system at multiple scales and do
+   basic sampling.
 """
 
 from __future__ import print_function
@@ -20,11 +21,11 @@
     print("internal tests enabled, or without the --run-quick-test flag")
     sys.exit(0)
 
-###################### SYSTEM SETUP #####################
+# ##################### SYSTEM SETUP #####################
 # Read sequences etc
 seqs = IMP.pmi.topology.Sequences(IMP.pmi.get_example_path('data/1WCM.fasta'))
-components = ["Rpb1","Rpb2","Rpb3","Rpb4"]
-colors = ['medium purple','goldenrod','orchid','olive drab']
+components = ["Rpb1", "Rpb2", "Rpb3", "Rpb4"]
+colors = ['medium purple', 'goldenrod', 'orchid', 'olive drab']
 chains = "ABCD"
 beadsize = 10
 
@@ -36,34 +37,37 @@
 # Add Molecules for each component as well as representations
 mols = []
 for n in range(len(components)):
-    print('PMI: setting up',components[n],'1WCM:'+chains[n])
+    print('PMI: setting up', components[n], '1WCM:'+chains[n])
     mol = st.create_molecule(                      # create molecule
         components[n],
         sequence=seqs['1WCM:'+chains[n]],
         chain_id=chains[n])
-    atomic = mol.add_structure(IMP.pmi.get_example_path('data/1WCM_fitted.pdb'),
-                               chain_id=chains[n],
-                               offset=0)
-    mol.add_representation(atomic,                 # res 1,10 for structured regions
-                           resolutions=[1,10],
+    atomic = mol.add_structure(
+        IMP.pmi.get_example_path('data/1WCM_fitted.pdb'),
+        chain_id=chains[n], offset=0)
+    mol.add_representation(atomic,  # res 1,10 for structured regions
+                           resolutions=[1, 10],
                            color=colors[n])
-    mol.add_representation(mol[:]-atomic,          # res 10 for unstructured regions
+    mol.add_representation(mol[:]-atomic,  # res 10 for unstructured regions
                            resolutions=[beadsize],
                            color=colors[n])
     mols.append(mol)
 
-# calling System.build() creates all States and Molecules (and their representations)
+# calling System.build() creates all States and Molecules (and their
+# representations)
 #  Once you call build(), anything without representation is destroyed.
-#  You can still use handles like molecule[a:b], molecule.get_atomic_residues() or molecule.get_non_atomic_residues()
+#  You can still use handles like molecule[a:b], molecule.get_atomic_residues()
+#  or molecule.get_non_atomic_residues()
 #  However these functions will only return BUILT representations
 root_hier = s.build()
 
 # Uncomment this for verbose output of the representation
-#IMP.atom.show_with_representations(root_hier)
+# IMP.atom.show_with_representations(root_hier)
 
 # Setup degrees of freedom
 #  The DOF functions automatically select all resolutions
-#  Objects passed to nonrigid_parts move with the frame but also have their own independent movers.
+#  Objects passed to nonrigid_parts move with the frame but also have
+#  their own independent movers.
 dof = IMP.pmi.dof.DegreesOfFreedom(mdl)
 for mol in mols:
     dof.create_rigid_body(mol,
@@ -76,10 +80,11 @@
     IMP.pmi.tools.display_bonds(mol)
 
 
-###################### RESTRAINTS #####################
-output_objects = [] # keep a list of functions that need to be reported
+# ##################### RESTRAINTS #####################
+output_objects = []  # keep a list of functions that need to be reported
 
-# Connectivity keeps things connected along the backbone (ignores if inside same rigid body)
+# Connectivity keeps things connected along the backbone (ignores if inside
+# same rigid body)
 crs = []
 for mol in mols:
     cr = IMP.pmi.restraints.stereochemistry.ConnectivityRestraint(mol)
@@ -88,27 +93,33 @@
     crs.append(cr)
 
 # Excluded volume - automatically more efficient due to rigid bodies
-evr = IMP.pmi.restraints.stereochemistry.ExcludedVolumeSphere(included_objects = mols)
+evr = IMP.pmi.restraints.stereochemistry.ExcludedVolumeSphere(
+    included_objects=mols)
 evr.add_to_model()
 output_objects.append(evr)
 
 
-###################### SAMPLING #####################
+# ##################### SAMPLING #####################
 # First shuffle the system
-IMP.pmi.tools.shuffle_configuration(root_hier,
-                                    max_translation=30)
+IMP.pmi.tools.shuffle_configuration(root_hier, max_translation=30)
 
 # Quickly move all flexible beads into place
 dof.optimize_flexible_beads(100)
 
 # Run replica exchange Monte Carlo sampling
-rex=IMP.pmi.macros.ReplicaExchange0(mdl,
-                                    root_hier=root_hier,                          # pass the root hierarchy
-                                    crosslink_restraints=crs,                     # will display like XLs
-                                    monte_carlo_sample_objects=dof.get_movers(),  # pass MC movers
-                                    global_output_directory='multiscale_output/',
-                                    output_objects=output_objects,
-                                    monte_carlo_steps=10,
-                                    number_of_best_scoring_models=0,      # set >0 to store best PDB files (but this is slow to do online)
-                                    number_of_frames=1)                   # increase number of frames to get better results!
+rex = IMP.pmi.macros.ReplicaExchange0(
+    mdl,
+    # pass the root hierarchy
+    root_hier=root_hier,
+    # will display like XLs
+    crosslink_restraints=crs,
+    # pass MC movers
+    monte_carlo_sample_objects=dof.get_movers(),
+    global_output_directory='multiscale_output/',
+    output_objects=output_objects,
+    monte_carlo_steps=10,
+    # set >0 to store best PDB files (but this is slow to do online)
+    number_of_best_scoring_models=0,
+    # increase number of frames to get better results!
+    number_of_frames=1)
 rex.execute_macro()
diff --git a/modules/pmi/examples/selection.py b/modules/pmi/examples/selection.py
index d127e02282..4d486b9dc8 100644
--- a/modules/pmi/examples/selection.py
+++ b/modules/pmi/examples/selection.py
@@ -1,7 +1,8 @@
 ## \example pmi/selection.py
-"""This script demonstrates a few different ways you can perform selection in PMI.
-In PMI we first set up molecules at various resolutions.
-Then you call System.build() and this creates all requested representations.
+"""This script demonstrates a few different ways you can perform selection
+   in PMI.
+   In PMI we first set up molecules at various resolutions.
+   Then you call System.build() and this creates all requested representations.
 """
 
 import IMP
@@ -17,17 +18,19 @@
 
 IMP.setup_from_argv(sys.argv, "Selection in PMI")
 
-################ BEFORE BUILDING ###################
+# ############### BEFORE BUILDING ###################
 # Preliminaries: read sequences, create a system and a state
 seqs = IMP.pmi.topology.Sequences(IMP.pmi.get_example_path('data/1WCM.fasta'))
 mdl = IMP.Model()
 s = IMP.pmi.topology.System(mdl)
 st = s.create_state()
 
-# Create a molecule. This sets up "TempResidues" for all elements in the sequence.
-mol = st.create_molecule("Rpb4",seqs["1WCM:D"],chain_id="D")
+# Create a molecule. This sets up "TempResidues" for all elements in
+# the sequence.
+mol = st.create_molecule("Rpb4", seqs["1WCM:D"], chain_id="D")
 
-# No structure has been built yet - you have to call 'Molecule.add_representation'
+# No structure has been built yet - you have to call
+# 'Molecule.add_representation'
 #  The first argument to that function is a set of "TempResidues"
 #  Here are some ways of getting them:
 
@@ -35,9 +38,10 @@
 myres1 = mol[0:10]
 
 # Use PDB numbering with residue_range (inclusive on both ends)
-myres2 = mol.residue_range('1','10')
+myres2 = mol.residue_range('1', '10')
 
-# If you add a PDB, this returns the set of TempResidues that were in the PDB file
+# If you add a PDB, this returns the set of TempResidues that were in
+# the PDB file
 atomic = mol.add_structure(IMP.pmi.get_example_path('data/1WCM_fitted.pdb'),
                            chain_id="D")
 
@@ -45,15 +49,18 @@
 atomic = mol.get_atomic_residues()
 non_atomic = mol.get_non_atomic_residues()
 
-# All of the above objects are OrderedSets, so you can actually perform set operations
-myres3 = mol[0:50] - atomic # non-atomic residues from 0 to 50
-myres4 = mol[0:50] & atomic # atomic residues between 0 and 50
+# All of the above objects are OrderedSets, so you can actually perform
+# set operations
+myres3 = mol[0:50] - atomic  # non-atomic residues from 0 to 50
+myres4 = mol[0:50] & atomic  # atomic residues between 0 and 50
 
 # Finally, pass your favorite handle to add_representation
-mol.add_representation(myres3,
-                       resolutions=[1]) #creates beads with size 1 (non-atomic can only have one beadsize)
+mol.add_representation(
+    myres3,
+    # creates beads with size 1 (non-atomic can only have one beadsize)
+    resolutions=[1])
 mol.add_representation(myres4,
-                       resolutions=[1,10]) #creates beads with size 1 and 10
+                       resolutions=[1, 10])  # creates beads with size 1 and 10
 
 # When you have decided all representations, call build()
 #  This returns an IMP hierarchy
@@ -63,27 +70,31 @@
 IMP.atom.show_with_representations(hier)
 
 
-################ AFTER BUILDING ###################
-# After building, only what you requested with add_representation() can be selected
+# ############### AFTER BUILDING ###################
+# After building, only what you requested with add_representation()
+# can be selected
 
 # PMI selection
-# Most PMI functions will let you pass Molecules or TempResidues and it will automatically gather things.
+# Most PMI functions will let you pass Molecules or TempResidues and it
+# will automatically gather things.
 conn = IMP.pmi.restraints.stereochemistry.ConnectivityRestraint(mol,
                                                                 resolution=1)
 
-# Similarly for rigid body creation, we recommend passing PMI objects and it will gather all resolutions
+# Similarly for rigid body creation, we recommend passing PMI objects
+# and it will gather all resolutions
 dof = IMP.pmi.dof.DegreesOfFreedom(mdl)
-dof.create_rigid_body(mol,
-                      nonrigid_parts = non_atomic,
+dof.create_rigid_body(mol, nonrigid_parts=non_atomic,
                       resolution='all')
 
 # Advanced: IMP selection
-# Note if you request a resolution this will find the NEAREST available resolution.
-#  E.g. if only resolution 1 is built, those particles will be returned below:
-sel = IMP.atom.Selection(hier,resolution=10,molecule="Rpb4",residue_indexes=range(1,10))
+# Note if you request a resolution this will find the NEAREST available
+# resolution.
+#  e.g. if only resolution 1 is built, those particles will be returned below:
+sel = IMP.atom.Selection(hier, resolution=10, molecule="Rpb4",
+                         residue_indexes=range(1, 10))
 particles = sel.get_selected_particles()
 
 # Retrieving the molecule object
 # The molecules are stored within the state, so you can do :
-all_mol_copies = st.molecules["Rpb4"] # a list of all copies
+all_mol_copies = st.molecules["Rpb4"]  # a list of all copies
 mol = all_mol_copies[0]
diff --git a/modules/pmi/examples/symmetry.py b/modules/pmi/examples/symmetry.py
index ff3f088f52..5b04698a62 100644
--- a/modules/pmi/examples/symmetry.py
+++ b/modules/pmi/examples/symmetry.py
@@ -21,16 +21,16 @@
 st = s.create_state()
 
 # Create a simple all-bead molecule
-mol = st.create_molecule("mymol",sequence='A'*10,chain_id='A')
-mol.add_representation(mol,
-                       resolutions=[1])
+mol = st.create_molecule("mymol", sequence='A'*10, chain_id='A')
+mol.add_representation(mol, resolutions=[1])
 
 # Clone the molecule multiple times
-# Calling molecule.create_clone makes a new molecule with the same name, sequence,
-#  initial structure, and choice of representations
-# Note: another function, molecule.create_copy(), just copies the name and sequence
+# Calling molecule.create_clone makes a new molecule with the same name,
+# sequence, initial structure, and choice of representations
+# Note: another function, molecule.create_copy(), just copies the name
+# and sequence
 mols = [mol]
-chains='BCDEFGHI'
+chains = 'BCDEFGHI'
 for nc in range(7):
     clone = mol.create_clone(chains[nc])
     mols.append(clone)
@@ -38,18 +38,20 @@
 hier = s.build()
 
 # Create a symmetry constraint
-#  A constrant is invariant: IMP will automatically move all clones to match the reference
-#  If instead you want some more flexiblity, consider IMP.pmi.restraints.stereochemistry.SymmetryRestraint
+#  A constrant is invariant: IMP will automatically move all clones to
+#  match the reference
+#  If instead you want some more flexiblity, consider
+#  IMP.pmi.restraints.stereochemistry.SymmetryRestraint
 dof = IMP.pmi.dof.DegreesOfFreedom(mdl)
-center = IMP.algebra.Vector3D([50,0,0])
+center = IMP.algebra.Vector3D([50, 0, 0])
 for nc in range(7):
-    rot = IMP.algebra.get_rotation_about_axis([0,0,1],2*math.pi*(nc+1)/8)
-    transform = IMP.algebra.get_rotation_about_point(center,rot)
-    dof.constrain_symmetry(mols[0],mols[nc+1],transform)
-mdl.update() # propagates coordinates
+    rot = IMP.algebra.get_rotation_about_axis([0, 0, 1], 2*math.pi*(nc+1)/8)
+    transform = IMP.algebra.get_rotation_about_point(center, rot)
+    dof.constrain_symmetry(mols[0], mols[nc+1], transform)
+mdl.update()  # propagates coordinates
 
 
-############ Make stuff look cool with restraints ###########
+# ########### Make stuff look cool with restraints ###########
 
 # set up the original molecule as flexible beads
 dof.create_flexible_beads(mols[0])
@@ -59,7 +61,8 @@
 cr.add_to_model()
 
 # Create excluded volume for all particles
-evr = IMP.pmi.restraints.stereochemistry.ExcludedVolumeSphere(included_objects=mols)
+evr = IMP.pmi.restraints.stereochemistry.ExcludedVolumeSphere(
+    included_objects=mols)
 evr.add_to_model()
 
 # Quickly move all flexible beads into place
@@ -67,5 +70,5 @@
 
 # write a single-frame RMF to view the helix
 out = IMP.pmi.output.Output()
-out.init_rmf("example_symmetry.rmf3",hierarchies=[hier])
+out.init_rmf("example_symmetry.rmf3", hierarchies=[hier])
 out.write_rmf("example_symmetry.rmf3")
diff --git a/modules/pmi/tools/setup_ci.sh b/modules/pmi/tools/setup_ci.sh
new file mode 100755
index 0000000000..27870d3441
--- /dev/null
+++ b/modules/pmi/tools/setup_ci.sh
@@ -0,0 +1,16 @@
+#!/bin/bash -e
+
+# Set up an environment to run CI tests, e.g. with GitHub Actions or Travis
+
+if [ $# -ne 1 ]; then
+  echo "Usage: $0 python_version"
+  exit 1
+fi
+
+python_version=$1
+
+conda config --remove channels defaults  # get conda-forge, not main, packages
+conda create --yes -q -n python${python_version} -c salilab -c conda-forge python=${python_version} pip scipy matplotlib imp-nightly gxx_linux-64 eigen swig cmake
+eval "$(conda shell.bash hook)"
+conda activate python${python_version}
+pip install pytest-cov coverage pytest-flake8
diff --git a/modules/pmi/tools/setup_travis.sh b/modules/pmi/tools/setup_travis.sh
deleted file mode 100755
index 61131d77d4..0000000000
--- a/modules/pmi/tools/setup_travis.sh
+++ /dev/null
@@ -1,24 +0,0 @@
-#!/bin/bash -e
-
-# Set up an environment to run tests under Travis CI (see ../.travis.yml)
-
-if [ $# -ne 1 ]; then
-  echo "Usage: $0 python_version"
-  exit 1
-fi
-
-cur_dir=$(pwd)
-python_version=$1
-temp_dir=$(mktemp -d)
-
-cd ${temp_dir}
-
-conda update --yes -q conda
-conda create --yes -q -n python${python_version} -c salilab python=${python_version} pip scipy matplotlib imp-nightly gxx_linux-64 eigen swig cmake
-eval "$(conda shell.bash hook)"
-conda activate python${python_version}
-pip install pytest-cov coverage pytest-flake8
-
-cd ${cur_dir}
-
-rm -rf ${temp_dir}

From 8fb63c03ec8e270af6643ae22b3a2bf8b8c6227f Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 9 Jun 2021 14:31:34 -0700
Subject: [PATCH 026/250] Get latest npctransport

---
 modules/npctransport | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/npctransport b/modules/npctransport
index 148795a045..0bbb468827 160000
--- a/modules/npctransport
+++ b/modules/npctransport
@@ -1 +1 @@
-Subproject commit 148795a0458a34c10029d495499ea9ed724b311f
+Subproject commit 0bbb4688276a3342f3bc68de2dec53c35d0ec213

From 108e9c1d2ea6ff61f0a43251ba9f21a40742f7f7 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 9 Jun 2021 16:22:47 -0700
Subject: [PATCH 027/250] Add example of using PredicatePairsRestraint

Add an example that shows how to create a simple
statistical potential using the
PredicatePairsRestraint.
---
 modules/container/examples/statistical.py | 62 +++++++++++++++++++++++
 1 file changed, 62 insertions(+)
 create mode 100644 modules/container/examples/statistical.py

diff --git a/modules/container/examples/statistical.py b/modules/container/examples/statistical.py
new file mode 100644
index 0000000000..2758f572f3
--- /dev/null
+++ b/modules/container/examples/statistical.py
@@ -0,0 +1,62 @@
+## \example container/statistical.py
+# This example shows how to create a simple statistical potential using
+# the PredicatePairsRestraint.
+
+import IMP
+import IMP.core
+import IMP.atom
+import IMP.container
+import sys
+
+IMP.setup_from_argv(sys.argv, "statistical potential")
+
+# Create simple test model containing 6 spherical particles
+m = IMP.Model()
+ps = IMP.core.create_xyzr_particles(m, 6, 1.0, 5.0)
+
+# Assign a numeric type to some of the particles. In practice this might
+# be a function of the atom and/or residue type.
+ik = IMP.IntKey("statpot_type")
+ps[0].add_attribute(ik, 0)
+ps[1].add_attribute(ik, 1)
+ps[2].add_attribute(ik, 0)
+ps[3].add_attribute(ik, 1)
+
+
+# Define a custom PairPredicate that, given a pair of particles, maps the
+# pair of types to a unique index, assuming that the i-j interaction is the
+# same as j-i
+class PairTypePredicate(IMP.PairPredicate):
+    def do_get_inputs(self, m, pis):
+        # We only use the particles themselves, no other inputs
+        return [m.get_particle(i) for i in pis]
+
+    def get_value_index(self, m, pis):
+        # Return -1 if either particle is untyped
+        if not all(m.get_has_attribute(ik, pi) for pi in pis):
+            print("particle pair %s is untyped" % str(pis))
+            return -1
+        # Particle types 0,0 map to unique index 0; 1,0 or 0,1 to 1; 1,1 to 2
+        ts = sorted(m.get_attribute(ik, pi) for pi in pis)
+        ind = (ts[1] * ts[1]+1)/2 + ts[0]
+        print("particle pair %s types %s map to %d" % (pis, ts, ind))
+        return ind
+
+
+# Apply our restraint to all pairs of particles within 20.0
+lps = IMP.container.ListSingletonContainer(m, ps)
+nbl = IMP.container.ClosePairContainer(lps, 20.0, 0.2)
+r = IMP.container.PredicatePairsRestraint(PairTypePredicate(), nbl)
+
+# Now we can score specific interactions. Here we try to draw pairs
+# of particles that both have type 1 (unique index 2 returned by
+# our predicate) together
+ps = IMP.core.HarmonicDistancePairScore(0., 1.)
+r.set_score(2, ps)
+
+# Any other interaction between either typed or untyped particles is ignored
+r.set_is_complete(False)
+
+# Score the system
+sf = IMP.core.RestraintsScoringFunction([r])
+print("Score is", sf.evaluate(False))

From 8bb7495c90b0c70cf83f7bb844659cae5c7eb690 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 9 Jun 2021 17:55:34 -0700
Subject: [PATCH 028/250] Initialize numpy on module startup

If we built IMP with numpy support, initialize
the numpy extension whenever we import an IMP
module, rather than whenever we call a numpy
function. This should allow wrappers to use
numpy.
---
 modules/kernel/pyext/IMP_kernel.numpy.i       | 25 +++----------------
 .../pyext/include/IMP_kernel.import_numpy.i   | 13 ++++++++++
 2 files changed, 16 insertions(+), 22 deletions(-)
 create mode 100644 modules/kernel/pyext/include/IMP_kernel.import_numpy.i

diff --git a/modules/kernel/pyext/IMP_kernel.numpy.i b/modules/kernel/pyext/IMP_kernel.numpy.i
index 5a9feb19c0..3e7d37413b 100644
--- a/modules/kernel/pyext/IMP_kernel.numpy.i
+++ b/modules/kernel/pyext/IMP_kernel.numpy.i
@@ -2,29 +2,10 @@
 
 
 %{
-#if IMP_KERNEL_HAS_NUMPY
-#include <numpy/arrayobject.h>
-
-static bool import_numpy_module()
-{
-  static bool imported;
-
-  if (imported) {
-    return true;
-  } else {
-    int ret = _import_array();
-    if (ret == 0) {
-      imported = true;
-    }
-    return (ret == 0);
-  }
-}
-#endif
-
 PyObject *_get_floats_data_numpy(PyObject *m_pyobj, unsigned sz, double *data)
 {
 #if IMP_KERNEL_HAS_NUMPY
-  if (!import_numpy_module()) {
+  if (numpy_import_retval != 0) {
     return NULL;
   }
 
@@ -55,7 +36,7 @@ PyObject *_get_floats_data_numpy(PyObject *m_pyobj, unsigned sz, double *data)
 PyObject *_get_ints_data_numpy(PyObject *m_pyobj, unsigned sz, int *data)
 {
 #if IMP_KERNEL_HAS_NUMPY
-  if (!import_numpy_module()) {
+  if (numpy_import_retval != 0) {
     return NULL;
   }
 
@@ -113,7 +94,7 @@ PyObject *_get_spheres_data_numpy(PyObject *m_pyobj, unsigned sz,
                                   algebra::Sphere3D *data)
 {
 #if IMP_KERNEL_HAS_NUMPY
-  if (!import_numpy_module()) {
+  if (numpy_import_retval != 0) {
     return NULL;
   }
 
diff --git a/modules/kernel/pyext/include/IMP_kernel.import_numpy.i b/modules/kernel/pyext/include/IMP_kernel.import_numpy.i
new file mode 100644
index 0000000000..da0e9c0e62
--- /dev/null
+++ b/modules/kernel/pyext/include/IMP_kernel.import_numpy.i
@@ -0,0 +1,13 @@
+// If IMP is built with numpy, initialize it in every module
+
+#if IMP_KERNEL_HAS_NUMPY
+%begin %{
+#include <numpy/arrayobject.h>
+
+static int numpy_import_retval;
+%}
+
+%init {
+  numpy_import_retval = _import_array();
+}
+#endif

From 088de244a52b3ffa8535b767e2d1a238f3b89ac1 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 9 Jun 2021 19:26:33 -0700
Subject: [PATCH 029/250] Copy numpy arrays directly to Ints/Floats

Provide custom SWIG typemaps when built with
numpy support, that copy data directly from
the numpy array into an IMP Ints or Floats
array, provided the array is of the correct
native type and is laid out flat in memory.
This should be faster than the default typemaps,
particularly for large arrays, which enumerate
every item in the sequence and convert them to
and from Python objects.
---
 .../include/internal/swig_helpers_base.h      | 85 +++++++++++++++++++
 modules/kernel/test/test_attributes.py        | 32 +++++++
 2 files changed, 117 insertions(+)

diff --git a/modules/kernel/include/internal/swig_helpers_base.h b/modules/kernel/include/internal/swig_helpers_base.h
index 6c2a2702ad..ae1b4ace05 100644
--- a/modules/kernel/include/internal/swig_helpers_base.h
+++ b/modules/kernel/include/internal/swig_helpers_base.h
@@ -22,6 +22,28 @@
 #include <vector>
 #include <cstdio>
 
+#if IMP_KERNEL_HAS_NUMPY
+#include <numpy/arrayobject.h>
+// This should be defined in the including module's SWIG wrapper
+extern int numpy_import_retval;
+
+// Return true iff `o` is a 1D numpy array of the given type laid out in
+// a contiguous chunk of memory
+bool is_native_numpy_array(PyObject *o, int numpy_type) {
+  if (!o || !PyArray_Check(o)) return false; // not a numpy array
+
+  PyArrayObject *a = (PyArrayObject *)o;
+  int array_type = PyArray_TYPE(a);
+  if (array_type != NPY_NOTYPE
+      && !PyArray_EquivTypenums(array_type, numpy_type)) {
+    return false;  // data type does not match
+  }
+
+  return PyArray_ISCONTIGUOUS(a) && PyArray_ISNOTSWAPPED(a)
+         && PyArray_NDIM(a) == 1;
+}
+#endif
+
 // using namespace IMP;
 using namespace IMP;
 #ifndef SWIG
@@ -492,6 +514,69 @@ struct ConvertSequence<
   static const int converter = 31;
 };
 
+#if IMP_KERNEL_HAS_NUMPY
+/* Provide template specializations that copy directly between IMP
+   arrays and numpy objects, without having to construct Python objects
+   for each sequence element */
+template <class ConvertT>
+struct ConvertSequence<Ints, ConvertT> : public ConvertVectorBase<
+                                                        Ints, ConvertT> {
+  static const int converter = 32;
+  typedef ConvertVectorBase<Ints, ConvertT> Base;
+
+  template <class SwigData>
+  static bool get_is_cpp_object(PyObject* in, SwigData st, SwigData particle_st,
+                                SwigData decorator_st) {
+    return (numpy_import_retval == 0 && is_native_numpy_array(in, NPY_INT))
+           || Base::get_is_cpp_object(in, st, particle_st, decorator_st);
+  }
+
+  template <class SwigData>
+  static Ints get_cpp_object(PyObject* o, const char *symname, int argnum,
+                             const char *argtype, SwigData st,
+                             SwigData particle_st,
+                             SwigData decorator_st) {
+    if (numpy_import_retval == 0 && is_native_numpy_array(o, NPY_INT)) {
+      int dim = PyArray_DIM((PyArrayObject*)o, 0);
+      int *data = (int *)PyArray_DATA((PyArrayObject*)o);
+      return Ints(data, data+dim);
+    } else {
+      return Base::get_cpp_object(o, symname, argnum, argtype, st,
+                                  particle_st, decorator_st);
+    }
+  }
+};
+
+template <class ConvertT>
+struct ConvertSequence<Floats, ConvertT> : public ConvertVectorBase<
+                                                        Floats, ConvertT> {
+  static const int converter = 33;
+  typedef ConvertVectorBase<Floats, ConvertT> Base;
+
+  template <class SwigData>
+  static bool get_is_cpp_object(PyObject* in, SwigData st, SwigData particle_st,
+                                SwigData decorator_st) {
+    return (numpy_import_retval == 0 && is_native_numpy_array(in, NPY_DOUBLE))
+           || Base::get_is_cpp_object(in, st, particle_st, decorator_st);
+  }
+
+  template <class SwigData>
+  static Floats get_cpp_object(PyObject* o, const char *symname, int argnum,
+                               const char *argtype, SwigData st,
+                               SwigData particle_st,
+                               SwigData decorator_st) {
+    if (numpy_import_retval == 0 && is_native_numpy_array(o, NPY_DOUBLE)) {
+      int dim = PyArray_DIM((PyArrayObject*)o, 0);
+      double *data = (double *)PyArray_DATA((PyArrayObject*)o);
+      return Floats(data, data+dim);
+    } else {
+      return Base::get_cpp_object(o, symname, argnum, argtype, st,
+                                  particle_st, decorator_st);
+    }
+  }
+};
+#endif
+
 template <>
 struct Convert<std::string> {
   static const int converter = 10;
diff --git a/modules/kernel/test/test_attributes.py b/modules/kernel/test/test_attributes.py
index 43ea506aba..663965a7b7 100644
--- a/modules/kernel/test/test_attributes.py
+++ b/modules/kernel/test/test_attributes.py
@@ -1,5 +1,7 @@
 import IMP
 import IMP.test
+if IMP.IMP_KERNEL_HAS_NUMPY:
+    import numpy
 
 
 xkey = IMP.FloatKey("x")
@@ -47,6 +49,36 @@ def test_intlike(self):
         m.add_attribute(isk, p.get_index(), [IntLike(9)])
         self.assertEqual(m.get_attribute(isk, p.get_index()), [9])
 
+    @IMP.test.skipIf(not IMP.IMP_KERNEL_HAS_NUMPY, "No numpy support")
+    def test_numpy_int(self):
+        """Test using numpy arrays as input for Ints attributes"""
+        m = IMP.Model()
+        p = IMP.Particle(m)
+        isk = IMP.IntsKey("hi")
+        m.add_attribute(isk, p.get_index(), [1])
+
+        # 32-bit int should be copied directly from numpy to IMP; 64-bit should
+        # use the normal per-element typemaps
+        for dtype in (numpy.int32, numpy.int64):
+            n = numpy.array([1,2,3,4,5,6], dtype=dtype)
+            p.set_value(isk, n)
+            self.assertEqual(p.get_value(isk), [1,2,3,4,5,6])
+
+    @IMP.test.skipIf(not IMP.IMP_KERNEL_HAS_NUMPY, "No numpy support")
+    def test_numpy_float(self):
+        """Test using numpy arrays as input for Floats attributes"""
+        m = IMP.Model()
+        p = IMP.Particle(m)
+        fsk = IMP.FloatsKey("hi")
+        m.add_attribute(fsk, p.get_index(), [1.])
+
+        # double should be copied directly from numpy to IMP; float should
+        # use the normal per-element typemaps
+        for dtype in (numpy.float32, numpy.float64):
+            n = numpy.array([1.,2.,3.,4.,5.,6.], dtype=dtype)
+            p.set_value(fsk, n)
+            self.assertEqual(p.get_value(fsk), [1.,2.,3.,4.,5.,6.])
+
 
 if __name__ == '__main__':
     IMP.test.main()

From 8b2b649632a5d5a9e6e9d8ea860e2631690d64cc Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 10 Jun 2021 11:17:48 -0700
Subject: [PATCH 030/250] Test numpy support

---
 tools/nightly-tests/test-install/test.py | 31 ++++++++++++++++++++++++
 1 file changed, 31 insertions(+)

diff --git a/tools/nightly-tests/test-install/test.py b/tools/nightly-tests/test-install/test.py
index 44d5bf5f56..3f83fa18c5 100644
--- a/tools/nightly-tests/test-install/test.py
+++ b/tools/nightly-tests/test-install/test.py
@@ -87,6 +87,37 @@ def test_applications_installed(self):
                                  "Return code for %s app is %d, not 0; "
                                  "output is %s" % (app.name, ret, out))
 
+    def test_get_numpy(self):
+        """Test numpy support"""
+        m1 = IMP.Model("numpy get_ints")
+        p1 = IMP.Particle(m1)
+        p2 = IMP.Particle(m1)
+        p3 = IMP.Particle(m1)
+
+        m2 = IMP.Model("numpy no get_ints")
+        p12 = IMP.Particle(m2)
+
+        k = IMP.IntKey("myf")
+        p1.add_attribute(k, 1)
+        p2.add_attribute(k, 2)
+
+        if IMP.IMP_KERNEL_HAS_NUMPY:
+            n = m1._get_ints_numpy(k)
+            self.assertIs(n.base, m1)
+            self.assertEqual(len(n), 2) # no int attribute for p3
+            self.assertEqual(n[0], 1)
+            self.assertEqual(n[1], 2)
+            n[0] = 42
+            n[1] = 24
+            self.assertEqual(p1.get_value(k), 42)
+            self.assertEqual(p2.get_value(k), 24)
+
+            n = m2._get_ints_numpy(k)
+            self.assertIs(n.base, m2)
+            self.assertEqual(len(n), 0) # no int key for this model
+        else:
+            self.assertRaises(NotImplementedError, m1._get_ints_numpy, k)
+
 
 if __name__ == '__main__':
     unittest.main()

From cd48b21857046301ece0a36fc86846d0d777fd7e Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 10 Jun 2021 11:46:40 -0700
Subject: [PATCH 031/250] Make sure we include Python.h before numpy

---
 modules/kernel/pyext/include/IMP_kernel.import_numpy.i | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/kernel/pyext/include/IMP_kernel.import_numpy.i b/modules/kernel/pyext/include/IMP_kernel.import_numpy.i
index da0e9c0e62..f70d2434dd 100644
--- a/modules/kernel/pyext/include/IMP_kernel.import_numpy.i
+++ b/modules/kernel/pyext/include/IMP_kernel.import_numpy.i
@@ -1,7 +1,7 @@
 // If IMP is built with numpy, initialize it in every module
 
 #if IMP_KERNEL_HAS_NUMPY
-%begin %{
+%{
 #include <numpy/arrayobject.h>
 
 static int numpy_import_retval;

From 7b330b174b1863638767a5e624afa6a9639c5c1e Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 10 Jun 2021 11:51:36 -0700
Subject: [PATCH 032/250] Need numpy at runtime for Python 2 package

We build the Python 2 package for RHEL with
numpy support, so we need to pull it in at
runtime otherwise 'import IMP' will fail
because it cannot in turn import numpy.
---
 tools/rpm/IMP.spec.in | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/tools/rpm/IMP.spec.in b/tools/rpm/IMP.spec.in
index 41608a8aa6..e278000610 100644
--- a/tools/rpm/IMP.spec.in
+++ b/tools/rpm/IMP.spec.in
@@ -195,6 +195,9 @@ Requires:      python2
 %if 0%{?fedora} > 0 && 0%{?fedora} < 32
 Requires: python2-protobuf
 %endif
+%if 0%{?fedora} < 34 || 0%{?rhel}
+Requires: python2-numpy
+%endif
 
 %description python2
 This package contains wrappers for Python 2 (the base package already

From 861bce63b1f8dd11f9c0030f990d1c85f94eae5d Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 10 Jun 2021 11:54:54 -0700
Subject: [PATCH 033/250] Address issues noted by flake8

---
 tools/nightly-tests/test-install/test.py | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/tools/nightly-tests/test-install/test.py b/tools/nightly-tests/test-install/test.py
index 3f83fa18c5..5c0e4fdce7 100644
--- a/tools/nightly-tests/test-install/test.py
+++ b/tools/nightly-tests/test-install/test.py
@@ -92,10 +92,10 @@ def test_get_numpy(self):
         m1 = IMP.Model("numpy get_ints")
         p1 = IMP.Particle(m1)
         p2 = IMP.Particle(m1)
-        p3 = IMP.Particle(m1)
+        p3 = IMP.Particle(m1)  # noqa: F841
 
         m2 = IMP.Model("numpy no get_ints")
-        p12 = IMP.Particle(m2)
+        p12 = IMP.Particle(m2)  # noqa: F841
 
         k = IMP.IntKey("myf")
         p1.add_attribute(k, 1)
@@ -104,7 +104,7 @@ def test_get_numpy(self):
         if IMP.IMP_KERNEL_HAS_NUMPY:
             n = m1._get_ints_numpy(k)
             self.assertIs(n.base, m1)
-            self.assertEqual(len(n), 2) # no int attribute for p3
+            self.assertEqual(len(n), 2)  # no int attribute for p3
             self.assertEqual(n[0], 1)
             self.assertEqual(n[1], 2)
             n[0] = 42
@@ -114,7 +114,7 @@ def test_get_numpy(self):
 
             n = m2._get_ints_numpy(k)
             self.assertIs(n.base, m2)
-            self.assertEqual(len(n), 0) # no int key for this model
+            self.assertEqual(len(n), 0)  # no int key for this model
         else:
             self.assertRaises(NotImplementedError, m1._get_ints_numpy, k)
 

From bde97d2f6622d7ab949085599a3f965375b6f08a Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 10 Jun 2021 11:55:34 -0700
Subject: [PATCH 034/250] Update to Python 3.9

---
 .github/workflows/flake.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/flake.yml b/.github/workflows/flake.yml
index a864428f44..2c100bc8de 100644
--- a/.github/workflows/flake.yml
+++ b/.github/workflows/flake.yml
@@ -9,7 +9,7 @@ jobs:
       fail-fast: false
       matrix:
         os: [ubuntu-latest]
-        python-version: [3.8]
+        python-version: [3.9]
     runs-on: ${{ matrix.os }}
 
     steps:

From 45278a8d8ec9ef0d96b5b61110a8d9403dcfacf9 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 10 Jun 2021 12:23:08 -0700
Subject: [PATCH 035/250] Correct issues in IMP.statistics noted by flake8

---
 .github/workflows/flake.yml                |  2 +-
 modules/statistics/pyext/src/_histogram.py | 15 +++++++--------
 2 files changed, 8 insertions(+), 9 deletions(-)

diff --git a/.github/workflows/flake.yml b/.github/workflows/flake.yml
index 2c100bc8de..a349b68504 100644
--- a/.github/workflows/flake.yml
+++ b/.github/workflows/flake.yml
@@ -21,4 +21,4 @@ jobs:
     - name: Test
       run: |
         pip install flake8
-        flake8 tools modules/parallel/pyext modules/test/pyext modules/mmcif/pyext
+        flake8 tools modules/parallel/pyext modules/test/pyext modules/mmcif/pyext modules/statistics/pyext
diff --git a/modules/statistics/pyext/src/_histogram.py b/modules/statistics/pyext/src/_histogram.py
index 162407d0d7..d1e735ce99 100644
--- a/modules/statistics/pyext/src/_histogram.py
+++ b/modules/statistics/pyext/src/_histogram.py
@@ -1,10 +1,10 @@
+import IMP.algebra
+
+
 def _show_histogram_1d(h, yscale, xscale, curves):
-    import numpy as np
     import matplotlib.pyplot as plt
-    import matplotlib.mlab as mlab
     fig = plt.figure()
     ax = fig.add_subplot(111)
-    data = []
     countsgrid = h.get_counts()
     bins = [countsgrid.get_bounding_box(i).get_corner(0)[0]
             for i in countsgrid.get_all_indexes()]
@@ -18,7 +18,7 @@ def _show_histogram_1d(h, yscale, xscale, curves):
                 gbb.get_corner(1)[0])
     ax.set_xscale(xscale)
     ax.set_yscale(yscale)
-        # only scale based on histogram
+    # only scale based on histogram
     ax.set_autoscaley_on(False)
     for c in curves:
         ax.plot(bins, [c(x) for x in bins], "go-", linewidth=1)
@@ -28,7 +28,6 @@ def _show_histogram_1d(h, yscale, xscale, curves):
 def _show_histogram_2d(h, yscale, xscale):
     import numpy as np
     import matplotlib.cm as cm
-    import matplotlib.mlab as mlab
     import matplotlib.pyplot as plt
     cg = h.get_counts()
     steps = cg.get_unit_cell()
@@ -49,9 +48,9 @@ def _show_histogram_2d(h, yscale, xscale):
 def _get_min_dim(bb):
     md = 100000
     for i in range(0, bb.get_dimension()):
-        l = bb.get_corner(1)[i] - bb.get_corner(0)[i]
-        if l < md:
-            md = l
+        ld = bb.get_corner(1)[i] - bb.get_corner(0)[i]
+        if ld < md:
+            md = ld
     return md
 
 

From aaabf6126c765b642bc7826d39964e3811171007 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 10 Jun 2021 12:24:20 -0700
Subject: [PATCH 036/250] Remove unused file

---
 modules/spb/pyext/src/randomize.py | 8 --------
 1 file changed, 8 deletions(-)
 delete mode 100644 modules/spb/pyext/src/randomize.py

diff --git a/modules/spb/pyext/src/randomize.py b/modules/spb/pyext/src/randomize.py
deleted file mode 100644
index 23742adede..0000000000
--- a/modules/spb/pyext/src/randomize.py
+++ /dev/null
@@ -1,8 +0,0 @@
-# python files placed in this src directory are automatically added to the module.
-# The function below can be accessed as IMP.spb.randomize.randomize_particles().
-
-import IMP.core
-
-def randomize_particle(p):
-    d= IMP.core.XYZ.decorate_particle(p)
-    d.set_coordinates(IMP.algebra.get_random_vector_in(IMP.algebra.get_unit_bounding_box_3d()))

From 563de75f9934dba0947823dd30e7cb9785e4353d Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 10 Jun 2021 12:48:52 -0700
Subject: [PATCH 037/250] Correct issues in IMP.pepdock noted by flake8

---
 .github/workflows/flake.yml                   |   2 +-
 modules/pepdock/pyext/src/atomicDomino.py     | 145 ++++++++++--------
 .../pyext/src/atomicDominoUtilities.py        |  21 ++-
 modules/pepdock/pyext/src/osPeptideDocker.py  |  13 --
 modules/pepdock/pyext/src/peptideDocker.py    | 141 +++++++++--------
 .../pepdock/pyext/src/serialPeptideDocker.py  |  12 --
 6 files changed, 168 insertions(+), 166 deletions(-)

diff --git a/.github/workflows/flake.yml b/.github/workflows/flake.yml
index a349b68504..9982a61778 100644
--- a/.github/workflows/flake.yml
+++ b/.github/workflows/flake.yml
@@ -21,4 +21,4 @@ jobs:
     - name: Test
       run: |
         pip install flake8
-        flake8 tools modules/parallel/pyext modules/test/pyext modules/mmcif/pyext modules/statistics/pyext
+        flake8 tools modules/parallel/pyext modules/test/pyext modules/mmcif/pyext modules/statistics/pyext modules/pepdock/pyext
diff --git a/modules/pepdock/pyext/src/atomicDomino.py b/modules/pepdock/pyext/src/atomicDomino.py
index 28779320b4..d9498dc7a0 100644
--- a/modules/pepdock/pyext/src/atomicDomino.py
+++ b/modules/pepdock/pyext/src/atomicDomino.py
@@ -1,17 +1,13 @@
 from __future__ import print_function
 import IMP
-import subprocess
-import random
 import IMP.domino
 import IMP.core
 import IMP.rmf
 import RMF
 import time
 import IMP.algebra
-import types
 import re
 import sys
-import operator
 import os
 import resource
 from . import atomicDominoUtilities
@@ -110,7 +106,6 @@ def filterAssignments(self, assignments, subset, nodeIndex, rssft):
         # make dependency graph for stats
         for r in IMP.get_restraints([self.model.get_root_restraint_set()]):
             restraintList.append(r)
-        dg = IMP.get_dependency_graph(restraintList)
 
         stateCounter = 0
         passedCounter = 0
@@ -129,9 +124,11 @@ def filterAssignments(self, assignments, subset, nodeIndex, rssft):
 
             stateCounter += 1
         fraction = (passedCounter * 1.0) / (stateCounter * 1.0)
-        print("%s states passed out of %s total for this subset (fraction %s)" % (passedCounter, stateCounter, fraction))
+        print("%s states passed out of %s total for this subset (fraction %s)"
+              % (passedCounter, stateCounter, fraction))
         if (passedCounter == 0):
-            print("subset %s had 0 assignments (out of %s) pass. Exiting..." % (subset, stateCounter))
+            print("subset %s had 0 assignments (out of %s) pass. Exiting..."
+                  % (subset, stateCounter))
             sys.exit()
 
         return filteredAssignments
@@ -172,7 +169,8 @@ def createSampler(self):
 
         self.sampler = s
 
-    # Use the model restraint set to get the interaction graph, junction tree, and merge tree, and also get subsets
+    # Use the model restraint set to get the interaction graph, junction tree,
+    # and merge tree, and also get subsets
     # from the junction tree and return them
     def createSubsets(self):
         self.initializeParticleStatesTable()
@@ -252,7 +250,8 @@ def getMtIndexToParticles(self):
             subset = self.mt.get_vertex_name(nodeIndex)
             particleList = self.quickSubsetName(subset)
             mtIndexToParticles[nodeIndex] = particleList
-            print("createtMtIndexToParticles: index %s is particleList %s " % (nodeIndex, particleList))
+            print("createtMtIndexToParticles: index %s is particleList %s "
+                  % (nodeIndex, particleList))
 
         return mtIndexToParticles
 
@@ -277,7 +276,6 @@ def readTrajectoryFile(
                 print("execption in loading frame %s" % i)
                 continue
             score = self.model.evaluate(False)
-            leaves = IMP.atom.get_leaves(self.protein)
             # for leaf in leaves:
             #    xyzD = IMP.core.XYZ.decorate_particle(leaf)
             # print "read trajectory file: coordinates for frame %s particle %s
@@ -322,8 +320,9 @@ def readTrajectoryFile(
                 print("didn't add domino states due to skip parameters")
         return [bestScore, bestScoreFrame, bestRmsd, bestRmsdFrame]
 
-    # Get the grid index for the given particle. Returns an integer that can be used to get the center
-    # of the grid space for discretizing the particle
+    # Get the grid index for the given particle. Returns an integer that
+    # can be used to get the center of the grid space for discretizing
+    # the particle
     def getParticleGridIndex(self, leaf):
         xyzDecorator = IMP.core.XYZ(leaf)
         coordinates = xyzDecorator.get_coordinates()
@@ -415,8 +414,8 @@ def createGrid(self):
 
         self.grid = g
 
-    # Create Particle States Table and for each particle in the system, add XYZStates with that particle's
-    # initial location
+    # Create Particle States Table and for each particle in the system,
+    # add XYZStates with that particle's initial location
     def initializeParticleStatesTable(self):
 
         dominoPst = IMP.domino.ParticleStatesTable()
@@ -424,8 +423,6 @@ def initializeParticleStatesTable(self):
             self.protein, self.model, self.namesToParticles)
 
         for p in restrainedParticles:
-
-            xyzD = IMP.core.XYZ(p)
             xyz = IMP.core.XYZ(p).get_coordinates()
             xyzStates = IMP.domino.XYZStates([xyz])
             dominoPst.set_particle_states(p, xyzStates)
@@ -477,12 +474,12 @@ def readMdTrajectory(self, atomList, flexibleAtoms):
         print("preparing to read md frames %s" % framesToRead)
         # prepare data structures for tracking
         particleInfo = {}
-            # for each particle, list where each entry corresponds to an md step, and its value [domino state, coordinates]
+        # for each particle, list where each entry corresponds to an md step,
+        # and its value [domino state, coordinates]
         # for each particle, dictionary where the key is the grid index and
         # value is domino state
         particleStatesSeen = {}
         for atomName in atomList:
-            particle = self.namesToParticles[atomName]
             particleInfo[atomName] = []
             particleStatesSeen[atomName] = {}
 
@@ -510,7 +507,6 @@ def readMdTrajectory(self, atomList, flexibleAtoms):
             fullFile,
             bestScoreFrame,
             self.getParam("best_md_score_output_file"))
-        #self.singlePdbResults(fullFile, 10000, self.getParam("best_md_score_output_file"))
 
         self.singlePdbResults(
             fullFile,
@@ -568,9 +564,12 @@ def readCgTrajectories(self, atomList, flexibleAtoms):
                 cgScoreOutputFile = os.path.join(
                     outputDir, "%s%s" %
                     (self.getParam("cg_score_output_file"), cgNumber))
-                [cgScore, cgScoreFrame, cgRmsd, cgRmsdFrame] = self.readTrajectoryFile(
-                    atomList, rh, cgFrames, cgScoreOutputFile, skipCgDomino, flexibleAtoms)
-                print("cg number %s rmsd %s score %s" % (cgNumber, cgRmsd, cgScore))
+                [cgScore, cgScoreFrame, cgRmsd, cgRmsdFrame] = \
+                    self.readTrajectoryFile(atomList, rh, cgFrames,
+                                            cgScoreOutputFile, skipCgDomino,
+                                            flexibleAtoms)
+                print("cg number %s rmsd %s score %s"
+                      % (cgNumber, cgRmsd, cgScore))
                 # Update best score
                 if (cgScore < bestCgScore):
                     bestCgScore = cgScore
@@ -589,8 +588,8 @@ def readCgTrajectories(self, atomList, flexibleAtoms):
                 -1,
                 self.getParam("best_cg_rmsd_output_file"))
             self.singlePdbResults(
-                "%s%s" %
-                (cgFileName, framesToRead[-1]), -1, self.getParam("final_cg_frame_output_file"))
+                "%s%s" % (cgFileName, framesToRead[-1]),
+                -1, self.getParam("final_cg_frame_output_file"))
             finalCgRmsd = self.calculateNativeRmsd(flexibleAtoms)
             print("final cg rmsd is %s " % finalCgRmsd)
         self.bestCgScore = round(bestCgScore, 2)
@@ -647,7 +646,6 @@ def calculateTrajectoryRmsd(
         trajectoryFrame,
             flexibleAtoms):
         pdbName = self.getParam("native_pdb_input_file")
-        otherModel = IMP.Model()
         otherProtein = IMP.atom.read_pdb(
             pdbName,
             self.nativeModel,
@@ -710,7 +708,8 @@ def loadAssignments(self, nodeIndex):
             print("computing assignments for leaf %s" % nodeIndex)
 
             self.sampler.load_vertex_assignments(nodeIndex, mine)
-            print("leaf node %s has %s leaf assignments" % (nodeIndex, mine.get_number_of_assignments()))
+            print("leaf node %s has %s leaf assignments"
+                  % (nodeIndex, mine.get_number_of_assignments()))
         else:
             if (children[0] > children[1]):
                 children = [children[1], children[0]]
@@ -722,8 +721,11 @@ def loadAssignments(self, nodeIndex):
                 nodeIndex, firstAc, secondAc, mine)
 
             timeDifference = self.logTimePoint(0)
-            print("Done Parent %s Assignments %s first child %s second child %s time %s" % (nodeIndex, mine.get_number_of_assignments(), firstAc.get_number_of_assignments(),
-                                                                                            secondAc.get_number_of_assignments(), timeDifference))
+            print("Done Parent %s Assignments %s first child %s "
+                  "second child %s time %s"
+                  % (nodeIndex, mine.get_number_of_assignments(),
+                     firstAc.get_number_of_assignments(),
+                     secondAc.get_number_of_assignments(), timeDifference))
         self.totalAssignments += mine.get_number_of_assignments()
         self.logMemory()
         return mine
@@ -747,7 +749,8 @@ def writeOutput(self, flexibleAtoms, startTime):
         print("best md rmsd is %s" % self.bestMdRmsd)
         print("best cg score is %s" % self.bestCgScore)
         print("best cg rmsd is %s" % self.bestCgRmsd)
-        print("merge tree contained %s total assignments" % self.totalAssignments)
+        print("merge tree contained %s total assignments"
+              % self.totalAssignments)
 
         IMP.domino.load_particle_states(
             self.dominoPst.get_subset(),
@@ -781,7 +784,11 @@ def writeOutput(self, flexibleAtoms, startTime):
         print("final domino rmsd: %s" % dominoRmsd)
         print("best domino rmsd with best md score: %s" % dominoVsMdRmsd)
         print("domino rmsd with best cg score: %s" % dominoVsCgRmsd)
-        print("Final Results\t%s\t%s\t%s\t%s\t%s\t%s\t%s\t%s\t%s\t%s\t%s" % (self.bestMdScore, self.bestMdRmsd, self.bestCgScore, self.bestCgRmsd, bestDominoScore, dominoRmsd, dominoMinimizedScore, dominoVsCgRmsd, self.totalAssignments, self.maxMem, runTime))
+        print("Final Results\t%s\t%s\t%s\t%s\t%s\t%s\t%s\t%s\t%s\t%s\t%s"
+              % (self.bestMdScore, self.bestMdRmsd, self.bestCgScore,
+                 self.bestCgRmsd, bestDominoScore, dominoRmsd,
+                 dominoMinimizedScore, dominoVsCgRmsd, self.totalAssignments,
+                 self.maxMem, runTime))
 
     #
     # Parallel methods
@@ -846,23 +853,31 @@ def loadAssignmentsParallel(
                 secondChildIndex, mtIndexToSubsetOrder[secondChildIndex], 1)
             secondAcCreateTime = self.logTimePoint(0)
 
-            print("getting assignments for nodeIndex %s first child %s second child %s" % (nodeIndex, firstChildIndex, secondChildIndex))
+            print("getting assignments for nodeIndex %s first child %s "
+                  "second child %s"
+                  % (nodeIndex, firstChildIndex, secondChildIndex))
             firstChildParticles = mtIndexToSubsetOrder[firstChildIndex]
             secondChildParticles = mtIndexToSubsetOrder[secondChildIndex]
             myParticles = mtIndexToParticles[nodeIndex]
 
-            print("first child particles %s\nsecond child particles %s\nmy particles; %s\n" % (firstChildParticles, secondChildParticles, myParticles))
+            print("first child particles %s\nsecond child particles %s\n"
+                  "my particles; %s\n"
+                  % (firstChildParticles, secondChildParticles, myParticles))
             for p in firstSubset:
-                print("next particle in first subset: %s" % self.quickParticleName(p))
+                print("next particle in first subset: %s"
+                      % self.quickParticleName(p))
 
             for p in secondSubset:
-                print("next particle in second subset: %s" % self.quickParticleName(p))
+                print("next particle in second subset: %s"
+                      % self.quickParticleName(p))
 
             for assignment in firstAc.get_assignments():
-                print("next assignment for first child %s: %s" % (firstChildIndex, assignment))
+                print("next assignment for first child %s: %s"
+                      % (firstChildIndex, assignment))
 
             for assignment in secondAc.get_assignments():
-                print("next assignment for second child %s: %s" % (secondChildIndex, assignment))
+                print("next assignment for second child %s: %s"
+                      % (secondChildIndex, assignment))
 
             [mySubset, myAc] = self.createHdf5AssignmentContainer(
                 nodeIndex, mtIndexToParticles[nodeIndex], 0)
@@ -871,9 +886,6 @@ def loadAssignmentsParallel(
             rssft = IMP.domino.RestraintScoreSubsetFilterTable(
                 self.model.get_root_restraint_set(),
                 self.dominoPst)
-            rssf = rssft.get_subset_filter(mySubset, [])
-
-            #heapAc = IMP.domino.HeapAssignmentContainer(1000, rssf)
 
             IMP.domino.load_merged_assignments(
                 firstSubset,
@@ -887,22 +899,25 @@ def loadAssignmentsParallel(
             # myAc.add_assignments(heapAc.get_assignments())
             addTime = self.logTimePoint(0)
             for assignment in myAc.get_assignments():
-                print("loadAssignmentsParallel next assignment for %s: %s" % (nodeIndex, assignment))
+                print("loadAssignmentsParallel next assignment for %s: %s"
+                      % (nodeIndex, assignment))
             doneTime = self.logTimePoint(0)
             firstChildCount = firstAc.get_number_of_assignments()
             secondChildCount = secondAc.get_number_of_assignments()
-            print("first count: %s second count: %s begin: %s firstAc: %s secondAc: %s  prep: %s heap: %s add: %s done: %s" % (firstChildCount, secondChildCount, beginTime, firstAcCreateTime, secondAcCreateTime, prepTime, heapTime, addTime, doneTime))
+            print("first count: %s second count: %s begin: %s firstAc: %s "
+                  "secondAc: %s  prep: %s heap: %s add: %s done: %s"
+                  % (firstChildCount, secondChildCount, beginTime,
+                     firstAcCreateTime, secondAcCreateTime, prepTime,
+                     heapTime, addTime, doneTime))
             subsetOrder = self.getSubsetOrderList(mySubset)
             return subsetOrder
 
-    def createAssignmentsParallel(
-        self,
-        particleInfo,
-        nodeIndex,
-            mtIndexToParticles):
+    def createAssignmentsParallel(self, particleInfo, nodeIndex,
+                                  mtIndexToParticles):
 
         subsetName = mtIndexToParticles[nodeIndex]
-        print("starting assignments parallel leaf index %s subset name %s" % (nodeIndex, subsetName))
+        print("starting assignments parallel leaf index %s subset name %s"
+              % (nodeIndex, subsetName))
         [subset, particleList] = self.createSubsetFromParticles(subsetName)
 
         particleNameList = subsetName.split(" ")
@@ -911,10 +926,6 @@ def createAssignmentsParallel(
         finalAssignments = self.createUniqueLeafAssignments(
             particleNameList, particleInfo)
 
-        #lat = IMP.domino.ListAssignmentsTable()
-        #lat.set_assignments(subset, finalAssignmentContainer)
-        # self.sampler.set_assignments_table(lat)
-        #hdf5AssignmentContainer = IMP.domino.HDF5AssignmentContainer(dataset, subset, self.dominoPst.get_particles(), subsetName)
         rssft = IMP.domino.RestraintScoreSubsetFilterTable(
             self.model.get_root_restraint_set(),
             self.dominoPst)
@@ -925,13 +936,14 @@ def createAssignmentsParallel(
         dataset.set_size([0, len(subset)])
 
         hdf5AssignmentContainer = IMP.domino.create_assignments_container(
-            dataset, subset, particleOrder)
+                dataset, subset, particleOrder)   # noqa: F821
         for assignment in filteredAssignments:
             hdf5AssignmentContainer.add_assignment(assignment)
         for assignment in hdf5AssignmentContainer.get_assignments():
-            print("hdf5 assignment container node %s next assignmet %s" % (nodeIndex, assignment))
+            print("hdf5 assignment container node %s next assignmet %s"
+                  % (nodeIndex, assignment))
 
-        #self.checkAssignments(subset, nodeIndex, particleOrder)
+        # self.checkAssignments(subset, nodeIndex, particleOrder)
         subsetOrder = self.getSubsetOrderList(subset)
         print("leaf node returning with order %s" % subsetOrder)
         return subsetOrder
@@ -960,8 +972,8 @@ def cleanVertexName(self, vertexName):
 
         # not sure if any vertices still have a Subset prefix but keeping
         # anyway
-        nodeRe = re.compile('Subset\(\[(.*?)\s*\]')
-        secondNodeRe = re.compile('\[(.*?)\s*\]')  # atom name
+        nodeRe = re.compile(r'Subset\(\[(.*?)\s*\]')
+        secondNodeRe = re.compile(r'\[(.*?)\s*\]')  # atom name
         node = nodeRe.search(str(vertexName))
         secondNode = secondNodeRe.search(str(vertexName))
         vertexNameFinal = ""
@@ -1011,7 +1023,8 @@ def createSiblingMap(self, parentIndex):
             self.parentSiblingMap[secondChild] = {}
             self.parentSiblingMap[secondChild]["sibling"] = firstChild
             self.parentSiblingMap[secondChild]["parent"] = parentIndex
-            print("created map for parent %s first child %s second child %s" % (parentIndex, firstChild, secondChild))
+            print("created map for parent %s first child %s second child %s"
+                  % (parentIndex, firstChild, secondChild))
 
             self.parentSiblingMap[parentIndex]["firstChild"] = firstChild
             self.parentSiblingMap[parentIndex]["secondChild"] = secondChild
@@ -1030,7 +1043,7 @@ def getLeafParentNodeIndexList(self):
             leafParentNodeIndexList[parent] = 1
         return leafParentNodeIndexList
 
-    def getMtIndexToNameList(selt):
+    def getMtIndexToNameList(self):
         mtIndexToNames = {}
         for index in self.mt.get_vertices():
             name = self.mt.get_vertex_name(index)
@@ -1098,13 +1111,13 @@ def getGraphStructure(self, graph, fileName, separator):
         # read file
         graphLogRead = open(fileName, 'r')
 
-        nodeRe = re.compile('^(\d+)\[label\=\"\[*(.*?)\s*\]*\"')  # atom name
+        nodeRe = re.compile(r'^(\d+)\[label\=\"\[*(.*?)\s*\]*\"')  # atom name
         separatorEscape = "\\" + separator
-        edgeString = "^(\d+)\-%s(\d+)" % separatorEscape
+        edgeString = r"^(\d+)\-%s(\d+)" % separatorEscape
         edgeRe = re.compile(edgeString)
 
         nodesToNodes = {}
-            # keys: source node, value: target node (track edges)
+        # keys: source node, value: target node (track edges)
         nodesToNames = {}  # keys: node number, value; string parsed from file
 
         for line in graphLogRead:
@@ -1180,8 +1193,8 @@ def writeCytoscapeMtInput(self):
             nodesToNodes,
             self.getParam("mtree_cytoscape_input_file"))
         self.writeNodeNameAttributes(
-            nodesToNames, self.getParam("mtree_cytoscape_atom_name_file"), self.getParam(
-                "mtree_cytoscape_atom_summary_file"),
+            nodesToNames, self.getParam("mtree_cytoscape_atom_name_file"),
+            self.getParam("mtree_cytoscape_atom_summary_file"),
             self.getParam("mtree_cytoscape_atom_chain_file"))
 
     def writeCytoscapeJtInput(self):
@@ -1196,8 +1209,8 @@ def writeCytoscapeJtInput(self):
             self.getParam("jtree_cytoscape_input_file"))
 
         self.writeNodeNameAttributes(
-            nodesToNames, self.getParam("jtree_cytoscape_atom_name_file"), self.getParam(
-                "jtree_cytoscape_atom_summary_file"),
+            nodesToNames, self.getParam("jtree_cytoscape_atom_name_file"),
+            self.getParam("jtree_cytoscape_atom_summary_file"),
             self.getParam("jtree_cytoscape_atom_chain_file"))
 
         # write edge weight file -- weights are number of shared particles
@@ -1275,8 +1288,6 @@ def writeNodeNameAttributes(
         subsetAtomChainFile.close()
         subsetAtomSummaryFile.close()
         subsetAtomNameFile.close()
-
-
     #
     # End Cytoscape Methods
     #
diff --git a/modules/pepdock/pyext/src/atomicDominoUtilities.py b/modules/pepdock/pyext/src/atomicDominoUtilities.py
index a334ee9c6a..8fce9576ad 100644
--- a/modules/pepdock/pyext/src/atomicDominoUtilities.py
+++ b/modules/pepdock/pyext/src/atomicDominoUtilities.py
@@ -1,16 +1,14 @@
 from __future__ import print_function
 import IMP
 import re
-import sys
-import os
 
 
 def readParameters(parameterFileName):
 
     parameters = {}
     parameterFh = open(parameterFileName)
-    blankRe = re.compile('^\s*$')
-    skipRe = re.compile('^\#')
+    blankRe = re.compile(r'^\s*$')
+    skipRe = re.compile(r'^\#')
     for line in parameterFh:
 
         blankLine = blankRe.search(line)
@@ -28,9 +26,11 @@ def readParameters(parameterFileName):
     parameterFh.close()
     return parameters
 
-# Represents an atom particle as a string (contains its chain ID, residue ID, and atom name)
-# Other methods parse the name so if the name format changes they need to be updated
-#getPeptideCa(); writeCytoscapeIgInput(); getAtomTypeCounts()
+# Represents an atom particle as a string (contains its chain ID, residue ID,
+# and atom name)
+# Other methods parse the name so if the name format changes they need to
+# be updated
+# getPeptideCa(); writeCytoscapeIgInput(); getAtomTypeCounts()
 
 
 def quickParticleName(particle):
@@ -63,7 +63,8 @@ def makeNamesToParticles(protein):
     return namesToParticles
 
 
-# get the chain id, residue id, and atom name from the particle name -- slightly cleaner in that if we change the name
+# get the chain id, residue id, and atom name from the particle name --
+# slightly cleaner in that if we change the name
 # format, we don't have to change all the methods that rely on that format
 def getAtomInfoFromName(particleName):
     [chain, residue, atom] = particleName.split("_")
@@ -87,8 +88,6 @@ def isAtomParticle(p):
 
 # Get particles in model that are contained in model's restraints
 def getRestrainedParticles(protein, model, namesToParticles):
-    leaves = IMP.atom.get_leaves(protein)
-
     particleDict = {}
     count = 0
     for r in IMP.get_restraints([model.get_root_restraint_set()]):
@@ -101,7 +100,7 @@ def getRestrainedParticles(protein, model, namesToParticles):
             name = quickParticleName(p)
             # use dictionary keyed on names to avoid duplication
             particleDict[name] = 1
-        score = r.evaluate(0)
+        _ = r.evaluate(0)
 
     restrainedParticles = []
     for name in particleDict.keys():
diff --git a/modules/pepdock/pyext/src/osPeptideDocker.py b/modules/pepdock/pyext/src/osPeptideDocker.py
index e145b28949..ae8fc297af 100644
--- a/modules/pepdock/pyext/src/osPeptideDocker.py
+++ b/modules/pepdock/pyext/src/osPeptideDocker.py
@@ -1,17 +1,4 @@
-import IMP
-import subprocess
-import random
-import IMP.domino
-import IMP.core
-import IMP.rmf
-import RMF
-import time
-import IMP.algebra
-import types
-import re
 import sys
-import operator
-import os
 import peptideDocker
 
 parameterFileName = sys.argv[1]
diff --git a/modules/pepdock/pyext/src/peptideDocker.py b/modules/pepdock/pyext/src/peptideDocker.py
index 0b055766f1..ddab80a2ec 100644
--- a/modules/pepdock/pyext/src/peptideDocker.py
+++ b/modules/pepdock/pyext/src/peptideDocker.py
@@ -9,10 +9,7 @@
 
 import time
 import IMP.algebra
-import types
-import re
 import sys
-import operator
 import os
 from . import atomicDominoUtilities
 
@@ -35,14 +32,13 @@ def readParameters(self, parameterFileName):
 
     # Processing specific to peptide docking and this script
     def loadDockingHelpers(self):
-        outputDir = self.getParam("output_directory")
         mkdirProcess = subprocess.Popen(
             ['mkdir',
              '-p',
              self.getParam('output_directory')],
             shell=False,
             stderr=subprocess.PIPE)
-        output = mkdirProcess.communicate()
+        _ = mkdirProcess.communicate()
 
         self.namesToParticles = atomicDominoUtilities.makeNamesToParticles(
             self.protein)
@@ -163,7 +159,8 @@ def allFlexibleAtoms(self, r):
                 return 0
         return 1
 
-    # Check if we should skip processing of this pair of particles. Don't add restraints between particles that aren't optimized,
+    # Check if we should skip processing of this pair of particles. Don't add
+    # restraints between particles that aren't optimized,
     # and don't add restraints between particles on the same residue (for now
     # assume stereochemistry is good enough for this)
     def skipNonBondedPair(self, pair):
@@ -173,11 +170,14 @@ def skipNonBondedPair(self, pair):
             return 1
 
         # skip if neither is flexible
-        if ((self.quickParticleName(pair[0]) in self.flexibleAtoms) == 0 and (self.quickParticleName(pair[1]) in self.flexibleAtoms) == 0):
+        if ((self.quickParticleName(pair[0]) in self.flexibleAtoms) == 0
+            and (self.quickParticleName(pair[1])
+                 in self.flexibleAtoms) == 0):
             return 1
         return 0
 
-    # Set up degrees of freedom for the system. Either we are dealing with a fixed protein or a flexible one.
+    # Set up degrees of freedom for the system. Either we are dealing with
+    # a fixed protein or a flexible one.
     # Determine which atoms are flexible and save them in self.flexibleAtoms
     def initDof(self):
 
@@ -217,7 +217,8 @@ def getFixedAtoms(self):
                 fixedAtoms[leafName] = 1
         return fixedAtoms
 
-    # for each flexible atom, give it the coordinates of another flexible atom (ensures that each atom starts out in the binding site)
+    # for each flexible atom, give it the coordinates of another flexible
+    # atom (ensures that each atom starts out in the binding site)
     # Although it does guarantee a very random initial configuration, it is
     # cheating since we are using knowledge of the native state
     def initializeRandomExisting(self):
@@ -231,7 +232,8 @@ def initializeRandomExisting(self):
         for pName in particlesToVary:
             randomPname = random.choice(particlesToVary)
             randomP = self.namesToParticles[randomPname]
-            print("setting coordinates for particle %s to the ones currently set for particle %s" % (pName, randomPname))
+            print("setting coordinates for particle %s to the ones currently "
+                  "set for particle %s" % (pName, randomPname))
             atomToCoordinates[pName] = IMP.core.XYZ(randomP).get_coordinates()
 
         for pName in particlesToVary:
@@ -246,9 +248,9 @@ def initializeRandomExisting(self):
     def setInitialPositions(self):
         initialPositionMethod = self.getParam("initial_position_method")
 
-        # set random coordinates for atom by creating bounding box around native coordinates, increasing it
-        # by defined offset plus random number (necessary when running on
-        # cluster)
+        # set random coordinates for atom by creating bounding box around
+        # native coordinates, increasing it by defined offset plus random
+        # number (necessary when running on cluster)
         if (initialPositionMethod == "random"):
 
             myRandom = random.random()
@@ -286,8 +288,10 @@ def setInitialPositions(self):
 
         elif (initialPositionMethod == "random_box"):
 
-            # Get bounding box containing all particles within close pair distance of flexible atoms
-            # This doesn't work perfectly; can put initial positions in the fixed atoms accidentally
+            # Get bounding box containing all particles within close pair
+            # distance of flexible atoms
+            # This doesn't work perfectly; can put initial positions in the
+            # fixed atoms accidentally
             # As constructed it is specific to peptide atoms only and not
             # flexible protein atoms
             bsParticles = []
@@ -299,7 +303,8 @@ def setInitialPositions(self):
                         fixedAtom = self.namesToParticles[firstPname]
 
                         bsParticles.append(IMP.core.XYZ(fixedAtom))
-                        print("added next close atom %s to bounding box particles" % firstPname)
+                        print("added next close atom %s to bounding box "
+                              "particles" % firstPname)
             # bsBoundingBox = IMP.core.get_bounding_box(bsParticles)  -- revert
             # if I can figure out how
             peptideParticles = []
@@ -337,7 +342,8 @@ def setInitialPositions(self):
         elif (initialPositionMethod == "random_full"):
             bb = IMP.atom.get_bounding_box(self.protein)
             for particleName in self.flexibleAtoms.keys():
-                print("creating random position for particle %s" % particleName)
+                print("creating random position for particle %s"
+                      % particleName)
                 p = self.namesToParticles[particleName]
                 xyzDecorator = IMP.core.XYZ(p)
                 randomXyz = IMP.algebra.get_random_vector_in(bb)
@@ -366,9 +372,12 @@ def setInitialPositions(self):
                     existingLeafXyz.set_coordinates(
                         initialLeafXyz.get_coordinates())
                 else:
-                    print("Read in initial positions from file %s but this file contained particle %s which is not in current model" % (initialPositionFile, name))
+                    print("Read in initial positions from file %s but this "
+                          "file contained particle %s which is not in current "
+                          "model" % (initialPositionFile, name))
         else:
-            print("Please specify valid initial position method (random or file)\n")
+            print("Please specify valid initial position method "
+                  "(random or file)\n")
             sys.exit()
 
         # output initial positions
@@ -391,8 +400,8 @@ def getNonBondedPairs(self):
             particlePairs = self.getClosePairs()
         elif (nonBondedDefinition == "random"):
             particlePairs = self.getRandomParticlePairs()
-        elif (nonBondedDefinition == "manual"):
-            particlePairs = self.readManualRestraints(nativeProtein, 6)
+#       elif (nonBondedDefinition == "manual"):
+#           particlePairs = self.readManualRestraints(nativeProtein, 6)
         else:
             print("Please specify valid non bonded pair definition")
             sys.exit()
@@ -425,10 +434,10 @@ def getClosePairs(self):
         finalPairs = []
         for pair in particlePairs:
             distance = self.getXyzDistance(pair)
-            q0 = self.quickParticleName(pair[0])
-            q1 = self.quickParticleName(pair[1])
 
-            if (useHardCutoff == "0" or (useHardCutoff == "1" and distance < closePairDistance)):
+            if (useHardCutoff == "0"
+                or (useHardCutoff == "1"
+                    and distance < closePairDistance)):
                 finalPairs.append([pair[0], pair[1]])
 
         return finalPairs
@@ -443,8 +452,8 @@ def addForceFieldRestraints(self):
                 IMP.atom.get_data_path("top_heav.lib"),
                 IMP.atom.get_data_path("par.lib"))
 
-            # Set up and evaluate the stereochemical part (bonds, angles, dihedrals,
-            # impropers) of the CHARMM forcefield
+            # Set up and evaluate the stereochemical part (bonds, angles,
+            # dihedrals, impropers) of the CHARMM forcefield
             bonds = self.topology.add_bonds(self.protein)
             angles = ff.create_angles(bonds)
             dihedrals = ff.create_dihedrals(bonds)
@@ -486,10 +495,11 @@ def addForceFieldRestraints(self):
                         1)))
 
         else:
-            print ("Skipping forcefield restraints")
+            print("Skipping forcefield restraints")
 
-    # Create one type of forcefield restraint. The restraint is initially across the full model and needs to be decomposed
-    # so it can be used in the restraint graph.
+    # Create one type of forcefield restraint. The restraint is initially
+    # across the full model and needs to be decomposed so it can be used
+    # in the restraint graph.
     def createForceFieldRestraintsForModel(
         self,
         ffParticles,
@@ -508,7 +518,6 @@ def createForceFieldRestraintsForModel(
         decomposedRestraintTemp = listBondRestraint.create_decomposition()
         decomposedRestraints = IMP.RestraintSet.get_from(
             decomposedRestraintTemp)
-        rs_restraints = decomposedRestraints.get_restraints()
 
         # manually remove the full restraint after getting the decomposition
         del listBondRestraint
@@ -523,20 +532,18 @@ def createForceFieldRestraintsForModel(
                 self.model.add_restraint(r)
                 r.set_maximum_score(maxForceFieldScore)
                 self.addParticlesToGroups(r)
-            else:
-                t = 1
-                # self.model.remove_restraint(r)
 
-    # Add all atoms in r to ffParticleGroups; tracks which atoms are restrained by forcefield terms so
-    # we don't restrain them in other methods (e.g. excluded volume) --
-    # essentially a manual pair-filter
+    # Add all atoms in r to ffParticleGroups; tracks which atoms are
+    # restrained by forcefield terms so we don't restrain them in other
+    # methods (e.g. excluded volume) -- essentially a manual pair-filter
     def addParticlesToGroups(self, r):
         inputParticles = []
         ps = r.get_input_particles()
 
         for p in ps:
 
-            if (self.isAtomParticle(p) == 0):  # skip particles that aren't actually atoms (e.g. bond particles)
+            # skip particles that aren't actually atoms (e.g. bond particles)
+            if (self.isAtomParticle(p) == 0):
                 continue
             inputParticles.append(p.get_name())
 
@@ -546,9 +553,9 @@ def addParticlesToGroups(self, r):
                     continue
                 self.ffParticleGroups[firstName][secondName] = 1
 
-    # Add excluded volume restraints across close pairs. Still a work in progress as they have been slowing down
-    # the code quite a bit and we'll probably want to turn them on only at a
-    # defined time
+    # Add excluded volume restraints across close pairs. Still a work in
+    # progress as they have been slowing down the code quite a bit and
+    # we'll probably want to turn them on only at a defined time
     def addExcludedVolumeRestraints(self):
 
         restrainedParticles = atomicDominoUtilities.getRestrainedParticles(
@@ -563,10 +570,10 @@ def addExcludedVolumeRestraints(self):
     # factor
     def addFlexFlexLjRestraints(self, scalingFactor):
         if (self.initializedFlexFlexLjRestraints == 0):
-            print("adding initial lennard jones restraints between pairs of flexible atoms")
+            print("adding initial lennard jones restraints between pairs "
+                  "of flexible atoms")
             self.initializedFlexFlexLjRestraints = 1
             leaves = IMP.atom.get_leaves(self.protein)
-            counter = 0
 
             sf = IMP.atom.ForceSwitch(6.0, 7.0)
             ps = IMP.atom.LennardJonesPairScore(sf)
@@ -574,14 +581,14 @@ def addFlexFlexLjRestraints(self, scalingFactor):
                 iLeaf = leaves[i]
                 for j in range(i + 1, len(leaves)):
                     jLeaf = leaves[j]
-                    if ((self.quickParticleName(iLeaf) in self.flexibleAtoms) == 1 and (self.quickParticleName(jLeaf) in self.flexibleAtoms) == 1):
+                    if ((self.quickParticleName(iLeaf) in self.flexibleAtoms)
+                        == 1 and
+                        (self.quickParticleName(jLeaf) in self.flexibleAtoms)
+                            == 1):
                         ljpr = IMP.core.PairRestraint(
                             ps, [iLeaf, jLeaf], "LennardJones %s_%s" %
                             (i, j))
                         self.model.add_restraint(ljpr)
-        chainHierarchies = IMP.atom.get_by_type(
-            self.protein, IMP.atom.CHAIN_TYPE)
-        peptideChainHierarchy = None
         print("scaling atomic radii by scaling factor %s" % scalingFactor)
         # reset radii back to original in preparation for rescaling
         self.ff.add_radii(self.protein)
@@ -622,7 +629,7 @@ def createDopeRestraint(self, pair):
         self.model.add_restraint(pairRestraint)
         maxNonBondedScore = float(self.getParam("max_non_bonded_score"))
         pairRestraint.set_maximum_score(maxNonBondedScore)
-        #initialScore = pairRestraint.evaluate(0)
+        # initialScore = pairRestraint.evaluate(0)
 
     # add non-bonded restraints across close pairs. At least one atom in each
     # pair should be flexible
@@ -632,7 +639,7 @@ def addClosePairNonBondedRestraints(self):
         nonBondedRestraintType = self.getParam("non_bonded_restraint_type")
         dopeCutoff = float(self.getParam("dope_cutoff"))
 
-        k = IMP.core.Harmonic.get_k_from_standard_deviation(1)
+        # k = IMP.core.Harmonic.get_k_from_standard_deviation(1)
 
         ps = 0
         if (nonBondedRestraintType == "dope"):
@@ -667,7 +674,9 @@ def addCompleteNonBondedRestraints(self):
             for j in range(i + 1, len(leaves)):
                 jLeaf = leaves[j]
 
-                if ((self.quickParticleName(jLeaf) in self.nonBondedPairs[self.quickParticleName(iLeaf)]) == 1):
+                if ((self.quickParticleName(jLeaf)
+                     in self.nonBondedPairs[self.quickParticleName(iLeaf)])
+                        == 1):
                     continue
                 if (self.skipNonBondedPair([iLeaf, jLeaf]) == 1):
                     continue
@@ -712,7 +721,7 @@ def createMdRootHandle(self):
             fileName = os.path.join(outputDir, mdFileName)
             print("creating rmf file with filename %s" % fileName)
             rh = RMF.create_rmf_file(fileName)
-            my_kc = rh.add_category("my data")
+            # my_kc = rh.add_category("my data")
             IMP.rmf.add_hierarchy(rh, self.protein)
 
             self.rootHandle = rh
@@ -756,7 +765,7 @@ def addMdOptimizerStates(self):
         vsos = IMP.atom.VelocityScalingOptimizerState(
             IMP.atom.get_leaves(self.protein),
             0)  # temperature is set later
-        vsIndex = self.mdOptimizer.add_optimizer_state(vsos)
+        # vsIndex = self.mdOptimizer.add_optimizer_state(vsos)
 
         # SaveHierarchyConfigurationOptimizerState
         hdos = IMP.rmf.SaveHierarchyConfigurationOptimizerState(
@@ -796,7 +805,8 @@ def readTrajectories(self):
                 IMP.rmf.load_frame(rh, frameCount - 1, self.protein)
                 score = self.model.evaluate(False)
                 rmsd = self.calculateNativeRmsd(self.flexibleAtoms)
-                print("cg number %s has score %s rmsd %s" % (cgNumber, score, rmsd))
+                print("cg number %s has score %s rmsd %s"
+                      % (cgNumber, score, rmsd))
                 if (score < bestCgScore):
                     bestCgScore = score
                     bestCgScoreFile = fullCgFileName
@@ -814,8 +824,8 @@ def readTrajectories(self):
                 -1,
                 self.getParam("best_cg_rmsd_output_file"))
             self.singlePdbResults(
-                "%s%s" %
-                (cgFileName, framesToRead[-1]), -1, self.getParam("final_cg_frame_output_file"))
+                "%s%s" % (cgFileName, framesToRead[-1]),
+                -1, self.getParam("final_cg_frame_output_file"))
             finalCgRmsd = self.calculateNativeRmsd(self.flexibleAtoms)
             self.bestCgScore = bestCgScore
             self.bestCgRmsd = bestCgRmsd
@@ -877,19 +887,23 @@ def runMolecularDynamics(self):
             [steps, temperature, excludedVolume] = stage.split('_')
             stepsSoFar += int(steps)
             self.vsos.set_temperature(int(temperature))
-            if (excludedVolume == "1"):  # add lennard jones restraints between flexible atoms and fixed atoms (don't add between flex atoms)
+            # add lennard jones restraints between flexible atoms and
+            # fixed atoms (don't add between flex atoms)
+            if excludedVolume == "1":
                 self.addFixedFlexibleLjRestraints()
             elif (excludedVolume != "0"):
                 # add lennard jones restraints between flexible atoms
                 if (self.getParam("excluded_volume_type") == "lj"):
                     self.addFlexFlexLjRestraints(float(excludedVolume))
                 elif (self.getParam("excluded_volume_type") == "ev"):
-                    self.addExcludedVolumeRestraints(
-                    )  # add full excluded volume restraints (just take everything in the protein)
+                    # add full excluded volume restraints (just take
+                    # everything in the protein)
+                    self.addExcludedVolumeRestraints()
                 else:
                     "please set excluded_volume_type to either lj or ev"
                     sys.exit()
-            print("running md at temperature %s for %s steps" % (temperature, steps))
+            print("running md at temperature %s for %s steps"
+                  % (temperature, steps))
             self.mdOptimizer.optimize(int(steps))
 
             IMP.atom.write_pdb(
@@ -899,7 +913,8 @@ def runMolecularDynamics(self):
                         "output_directory"),
                     "md_after_%s.pdb" %
                     stepsSoFar))
-            print("model score after stage %s is %s" % (stage, self.model.evaluate(False)))
+            print("model score after stage %s is %s"
+                  % (stage, self.model.evaluate(False)))
         print("done running md")
 
     def runAllCg(self):
@@ -932,7 +947,7 @@ def applyCg(self, mdStepStart, cgFileName):
         fileName = os.path.join(outputDir, cgFileName)
         print("creating cg hdf5 file %s" % fileName)
         rh = RMF.create_rmf_file(fileName)
-        my_kc = rh.add_category("my data")
+        # my_kc = rh.add_category("my data")
         IMP.rmf.add_hierarchy(rh, self.protein)
 
         # apply cg
@@ -949,14 +964,16 @@ def applyCg(self, mdStepStart, cgFileName):
         print("running cg")
         cg.optimize(cgSteps)
         secondScore = self.model.evaluate(False)
-        print("cg score after md step %s before %s after %s" % (mdStepStart, firstScore, secondScore))
+        print("cg score after md step %s before %s after %s"
+              % (mdStepStart, firstScore, secondScore))
         return secondScore
 
     # Tell the optimizer not to move atoms we have determined ar fixed
     def fixNonFlexibleAtoms(self):
         if (self.createdMdOptimizer == 0):
             self.createMdOptimizer()
-            # print "ERROR: must create md optimizer and optimize once before set_particles_are_optimized is called"
+            # print "ERROR: must create md optimizer and optimize once before
+            # set_particles_are_optimized is called"
             # sys.exit()
 
         self.fixedNonFlexibleAtoms = 1
diff --git a/modules/pepdock/pyext/src/serialPeptideDocker.py b/modules/pepdock/pyext/src/serialPeptideDocker.py
index 18501aaf9d..87b3ac5ca3 100644
--- a/modules/pepdock/pyext/src/serialPeptideDocker.py
+++ b/modules/pepdock/pyext/src/serialPeptideDocker.py
@@ -1,17 +1,5 @@
-import IMP
-import subprocess
-import random
-import IMP.domino
-import IMP.core
-import IMP.rmf
-import RMF
 import time
-import IMP.algebra
-import types
-import re
 import sys
-import operator
-import os
 import peptideDocker
 import atomicDomino
 

From 285d07a9eb46b4674162dea4160f24103b903ddd Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 10 Jun 2021 12:49:43 -0700
Subject: [PATCH 038/250] Correct some issues noted by flake8

---
 modules/EMageFit/pyext/src/buildxlinks.py  |  20 ++--
 modules/EMageFit/pyext/src/csv_related.py  |   2 +-
 modules/EMageFit/pyext/src/database.py     |  16 ++--
 modules/EMageFit/pyext/src/domino_model.py | 105 +++++++++++----------
 modules/EMageFit/pyext/src/solutions_io.py |  53 +++++------
 5 files changed, 100 insertions(+), 96 deletions(-)

diff --git a/modules/EMageFit/pyext/src/buildxlinks.py b/modules/EMageFit/pyext/src/buildxlinks.py
index 97cab8969e..0a90e81bfb 100644
--- a/modules/EMageFit/pyext/src/buildxlinks.py
+++ b/modules/EMageFit/pyext/src/buildxlinks.py
@@ -6,10 +6,7 @@
 import IMP.atom as atom
 import IMP.algebra as alg
 import IMP.core as core
-import sys
 import logging
-from IMP.EMageFit.argminmax import keymax
-log = logging.getLogger("buildxlinks")
 
 import networkx as nx
 
@@ -18,6 +15,7 @@
 except NameError:
     from sets import Set as set
 
+log = logging.getLogger("buildxlinks")
 
 class Xlink:
 
@@ -74,10 +72,10 @@ def swap(self):
             self.second_chain, self.first_chain
 
     def show(self):
-        s = "Cross Link: %s %s %d - %s %s %d. Distance %f" % (self.first_id,
-                                                              self.first_chain, self.first_residue,
-                                                              self.second_id, self.second_chain,
-                                                              self.second_residue, self.distance)
+        s = "Cross Link: %s %s %d - %s %s %d. Distance %f" % (
+            self.first_id, self.first_chain, self.first_residue,
+            self.second_id, self.second_chain, self.second_residue,
+            self.distance)
         return s
 
     def get_name(self):
@@ -159,8 +157,8 @@ def get_xlinks_for_pair(self, pair_ids):
             print pair_ids,"NOT FOUND, swapping to",(pair_ids[1], pair_ids[0])
             # If not found, invert the pair
             xlinks_list = self[(pair_ids[1], pair_ids[0])]
-            # swap the xlinks, so the first element of the pair corresponds to the
-            # first id in the xlink
+            # swap the xlinks, so the first element of the pair corresponds
+            # to the first id in the xlink
             for xl in xlinks_list:
                 xl.swap()
             for xl in xlinks_list:
@@ -210,13 +208,13 @@ def get_docking_order(self):
         docking_pairs = []
         degs = self.G.degree(self.G.nodes())
         log.debug("Degrees: %s", degs)
-        sorted_degrees = sorted(((v,k) for (k,v) in dict(degs).items()),
+        sorted_degrees = sorted(((v, k) for (k, v) in dict(degs).items()),
                                 reverse=True)
 
         receptors_considered = []
         for degree, node in sorted_degrees:
             for n in self.G.neighbors(node):
-                if not n in receptors_considered:
+                if n not in receptors_considered:
                     docking_pairs.append((node, n))
             receptors_considered.append(node)
         log.info("The suggested order for the docking pairs is %s",
diff --git a/modules/EMageFit/pyext/src/csv_related.py b/modules/EMageFit/pyext/src/csv_related.py
index f98a2b98bb..d8effd5b40 100644
--- a/modules/EMageFit/pyext/src/csv_related.py
+++ b/modules/EMageFit/pyext/src/csv_related.py
@@ -39,7 +39,7 @@ def read_csv_keyword(fn_or_f, keyword, delimiter="|",
     """
     if(isinstance(fn_or_f, str)):
         f = open(fn_or_f, "r")
-    elif(isinstance(fn_or_f, file)):
+    else:
         f = fn_or_f
 
     reader = csv.reader(f, delimiter=delimiter)
diff --git a/modules/EMageFit/pyext/src/database.py b/modules/EMageFit/pyext/src/database.py
index 8c814060ef..5953a62af9 100644
--- a/modules/EMageFit/pyext/src/database.py
+++ b/modules/EMageFit/pyext/src/database.py
@@ -5,7 +5,10 @@
 import sqlite3 as sqlite
 import os
 import csv
+import sys
 import logging
+if sys.version_info[0] == 2:
+    input = raw_input
 
 log = logging.getLogger("Database")
 
@@ -82,9 +85,7 @@ def store_dataV1(self, table_name, data):
         sql_command = "INSERT INTO %s VALUES %s " % (table_name, tuple_format)
         # Fill the table with the info in the tuples
         types = self.get_table_types(table_name)
-#        log.debug("Storing types: %s", types)
         for x in data:
-#            log.debug("DATA %s", x)
             # convert (applies the types stored in the table dictionary to each
             # value in x
             y = [apply_type(i) for i, apply_type in zip(x, types)]
@@ -169,7 +170,8 @@ def create_view_of_best_records(
         except:
             pass
         sql_command = """CREATE VIEW %s AS SELECT * FROM %s
-                         ORDER BY %s ASC LIMIT %d """ % (view_name, table_name, orderby, n_records)
+                         ORDER BY %s ASC LIMIT %d """ % (view_name, table_name,
+                                                         orderby, n_records)
         log.info("Creating view %s", sql_command)
         self.cursor.execute(sql_command)
 
@@ -284,7 +286,7 @@ def select_table(self):
         for t in tables:
             say = ''
             while say not in ('n', 'y'):
-                say = raw_input("Use table %s (y/n) " % t)
+                say = input("Use table %s (y/n) " % t)
             if say == 'y':
                 table_name = t
                 columns = self.get_table_column_names(t)
@@ -352,9 +354,9 @@ def read_data(fn_database, sql_command):
     return data
 
 
-def get_sorting_indices(l):
-    """ Return indices that sort the list l """
-    pairs = sorted([(element, i) for i, element in enumerate(l)])
+def get_sorting_indices(ls):
+    """ Return indices that sort the list ls"""
+    pairs = sorted([(element, i) for i, element in enumerate(ls)])
     indices = [p[1] for p in pairs]
     return indices
 
diff --git a/modules/EMageFit/pyext/src/domino_model.py b/modules/EMageFit/pyext/src/domino_model.py
index a056fffc9b..9511b65070 100644
--- a/modules/EMageFit/pyext/src/domino_model.py
+++ b/modules/EMageFit/pyext/src/domino_model.py
@@ -2,17 +2,13 @@
    Classes to manage a model using DOMINO.
 """
 
-import sys
 import time
 import csv
 import logging
-log = logging.getLogger("DominoModel")
 
 import IMP
 import IMP.domino as domino
 import IMP.core as core
-import IMP.container as container
-import IMP.display as display
 import IMP.atom as atom
 import IMP.algebra as alg
 import IMP.em2d as em2d
@@ -28,10 +24,11 @@
 import IMP.EMageFit.solutions_io as solutions_io
 import IMP.EMageFit.csv_related as csv_related
 
+log = logging.getLogger("DominoModel")
 
 field_delim = ","  # separate fields in the output text file
 unit_delim = "/"  # separate units within a field (eg, reference frames).
-                 # It is used in output text files and in databse files
+                  # It is used in output text files and in databse files
 
 
 class DominoModel:
@@ -62,7 +59,8 @@ def add_restraint(self, r, name, weight, max_score=False):
             @param name Name for the restraint
             @param weight Weight for the restraint
             @param max_score Maximum score allowed for the restraint. If
-            max_score is False, there is no limit for the value of the restraint
+            max_score is False, there is no limit for the value of
+            the restraint
         """
         log.info("Adding restraint %s weight %s max_score %s",
                  name, weight, max_score)
@@ -82,19 +80,21 @@ def align_rigid_bodies_states(self):
                 1) reads the possible reference frames that the
                     rb_states_table stores for each rigid body. This table
                     must be filled before using this function. Usually it is
-                    filled with the results from a previous Monte Carlo sampling.
-                    If the solutions from Monte Carlo seem to have the same structure
-                    but they are not aligned to each other, this function can
-                    help setting better starting positions to use with DOMINO.
+                    filled with the results from a previous Monte Carlo
+                    sampling. If the solutions from Monte Carlo seem to have
+                    the same structure but they are not aligned to each other,
+                    this function can help setting better starting positions
+                    to use with DOMINO.
                 2) Gets the first state for each of the rigid bodies and sets
                    a reference structure using such states.
-                3) Aligns all the rest of the structures respect to the reference
+                3) Aligns all the rest of the structures respect to the
+                   reference
                 4) Replaces the values of the reference frames stored in the
-                   rb_states_table with the new values obtained from the alignments.
-                   It does it for all states of a rigid body.
-            @note: If this function is applied, the parameters "anchor" and "fixed"
-               are ignored, as they are superseded by the use of the alignments
-               calculated here.
+                   rb_states_table with the new values obtained from the
+                   alignments. It does it for all states of a rigid body.
+            @note: If this function is applied, the parameters "anchor"
+               and "fixed" are ignored, as they are superseded by the use
+               of the alignments calculated here.
         """
         log.debug("Align the configurations read from the database before "
                   "running DOMINO")
@@ -206,8 +206,8 @@ def set_complementarity_restraint(self, name1, name2, rname,
                  rname, name1, name2)
         A = representation.get_component(self.assembly, name1)
         B = representation.get_component(self.assembly, name2)
-        restraint = multifit.ComplementarityRestraint(atom.get_leaves(A),
-                                                      atom.get_leaves(B), rname)
+        restraint = multifit.ComplementarityRestraint(
+            atom.get_leaves(A), atom.get_leaves(B), rname)
         restraint.set_maximum_separation(max_sep_distance)
         restraint.set_maximum_penetration(max_penetration)
         log.debug("Maximum separation: %s Maximum penetration score: %s",
@@ -221,9 +221,8 @@ def create_coarse_assembly(self, n_residues):
         """
         if self.create_coarse:
             log.info("Creating simplified assembly")
-            self.coarse_assembly = \
-                representation.create_simplified_assembly(self.assembly,
-                                                          self.components_rbs, n_residues)
+            self.coarse_assembly = representation.create_simplified_assembly(
+                self.assembly, self.components_rbs, n_residues)
         self.create_coarse = False
 
     def do_sampling(self, mode="assignments_heap_container", params=None):
@@ -357,8 +356,8 @@ def get_assignments_with_heap(self, vertex, k=0):
             Domino sampling that recovers the assignments for the root of the
             merge tree, but
             conserving only the best k scores for each vertex of the tree.
-            @param[in] vertex Vertex with the root of the current merge tree. This
-            function is recursive.
+            @param[in] vertex Vertex with the root of the current
+                              merge tree. This function is recursive.
             @param[in] k
         """
         if(self.sampler.get_number_of_subset_filter_tables() == 0):
@@ -370,8 +369,8 @@ def get_assignments_with_heap(self, vertex, k=0):
         subset = self.merge_tree.get_vertex_name(vertex)
         log.info("computing assignments for vertex %s", subset)
         t0 = time.time()
-        assignments_container = domino.HeapAssignmentContainer(subset, k,
-                                                               self.restraint_cache, "my_heap_assignments_container")
+        assignments_container = domino.HeapAssignmentContainer(
+            subset, k, self.restraint_cache, "my_heap_assignments_container")
         neighbors = self.merge_tree.get_out_neighbors(vertex)
         if len(neighbors) == 0:  # A leaf
             # Fill the container with the assignments for the leaf
@@ -408,7 +407,7 @@ def get_restraint_value_for_assignment(self, assignment, name):
             log.debug("rb - %s",
                       rb.get_reference_frame().get_transformation_to())
         val = self.restraints[name].evaluate(False)
-        log.debug("restraint %s = %s", restraint.get_name(), val)
+        log.debug("restraint %s = %s", name, val)
         return val
 
     def set_native_assembly_for_benchmark(self, params):
@@ -419,17 +418,18 @@ def set_native_assembly_for_benchmark(self, params):
         self.measure_models = True
         self.native_model = IMP.Model()
         if hasattr(params.benchmark, "fn_pdb_native"):
-            self.native_assembly = \
-                representation.create_assembly_from_pdb(self.native_model,
-                                                        params.benchmark.fn_pdb_native, params.names)
+            self.native_assembly = representation.create_assembly_from_pdb(
+                self.native_model, params.benchmark.fn_pdb_native,
+                params.names)
         elif hasattr(params.benchmark, "fn_pdbs_native"):
-            self.native_assembly = \
-                representation.create_assembly(self.native_model,
-                                               params.benchmark.fn_pdbs_native, params.names)
+            self.native_assembly = representation.create_assembly(
+                self.native_model, params.benchmark.fn_pdbs_native,
+                params.names)
         else:
-            raise ValueError("set_native_assembly_for_benchmark: Requested "
-                             "to set a native assembly for benchmark but did not provide "
-                             "its pdb, or the pdbs of the components")
+            raise ValueError(
+                "set_native_assembly_for_benchmark: Requested "
+                "to set a native assembly for benchmark but did not provide "
+                "its pdb, or the pdbs of the components")
         self.native_rbs = representation.create_rigid_bodies(
             self.native_assembly)
         anchor_assembly(self.native_rbs, params.anchor)
@@ -564,10 +564,10 @@ def read_merge_tree(self, fn):
             # get particles in the subset
             particles = []
             for name in names:
-                l = [p for p in ps if p.get_name() == name]
-                if (len(l) > 1):
+                lp = [p for p in ps if p.get_name() == name]
+                if (len(lp) > 1):
                     ValueError("More than one particle with same name" % names)
-                particles.extend(l)
+                particles.extend(lp)
             s = domino.Subset(particles)
             subset_names = [p.get_name() for p in particles]
             log.debug("Merge tree Subset %s. Particles %s ", s, subset_names)
@@ -619,7 +619,8 @@ def write_merge_tree(self, fn):
             raise ValueError("No merge tree")
         f = open(fn, "w")
         f.write(
-            "# Vertex index | Child0 | Child1 | label (names of the particles)\n")
+            "# Vertex index | Child0 | Child1 | label "
+            "(names of the particles)\n")
         w = csv.writer(f, delimiter=field_delim)
         root = self.merge_tree.get_vertices()[-1]
         self.write_subset(root, w)
@@ -636,8 +637,9 @@ def write_subset(self, v, w):
         names = [p.get_name() for p in subset]
         reps = [x for x in names if names.count(x) > 1]  # repeated names
         if(len(reps)):
-            raise ValueError("The names of the "
-                             "particles in the subset %s are not unique" % subset)
+            raise ValueError(
+                "The names of the particles in the subset %s are not unique"
+                % subset)
         names = unit_delim.join(names)
         neighbors = self.merge_tree.get_out_neighbors(v)
         if len(neighbors) == 0:  # A leaf
@@ -721,9 +723,8 @@ def set_not_optimized(self, name):
         rb_name = representation.get_rb_name(name)
         self.not_optimized_rbs.append(rb_name)
 
-    def set_close_pairs_excluded_volume_restraint(self, distance=10,
-                                                  weight=1.0, ratio=0.05, stddev=2,
-                                                  max_score=False):
+    def set_close_pairs_excluded_volume_restraint(
+        self, distance=10, weight=1.0, ratio=0.05, stddev=2, max_score=False):
         """
             Creates an excluded volume restraint between all the components
             of the coarse assembly.See help for
@@ -770,8 +771,9 @@ def set_close_pairs_excluded_volume_restraint(self, distance=10,
                         minimum_distance_allowed = 0
                         max_score = weight * n_pairs * \
                             score.evaluate(minimum_distance_allowed)
-                    log.debug("Setting close_pairs_excluded_volume_restraint(), "
-                              "max_score %s", max_score)
+                    log.debug(
+                        "Setting close_pairs_excluded_volume_restraint(), "
+                        "max_score %s", max_score)
                     self.add_restraint(r, name, weight, max_score)
 
     def set_pair_score_restraint(self, name1, name2,
@@ -889,7 +891,8 @@ def get_restraints_for_native(self, restraints_names):
             # align and put rb in the position of rn
             if len(rn_coords) != len(rb_coords):
                 raise ValueError("Mismatch in the number of members. "
-                                 "Reference %d Aligned %d " % (len(rn_coords), len(rb_coords)))
+                                 "Reference %d Aligned %d "
+                                 % (len(rn_coords), len(rb_coords)))
             T = alg.get_transformation_aligning_first_to_second(rb_coords,
                                                                 rn_coords)
             t = rb.get_reference_frame().get_transformation_to()
@@ -1064,14 +1067,16 @@ def measure_model(assembly, native_assembly, rbs, native_rbs):
 
 def get_coordinates(rigid_bodies):
     """
-        Return a list of the coordinates of all the members of the rigid bodies
+        Return a list of the coordinates of all the members
+        of the rigid bodies
     """
     if len(rigid_bodies) == 0:
         raise ValueError(
-            "get_coordinates: There are not rigid bodies to get coordinates from")
+            "get_coordinates: There are no rigid bodies to get "
+            "coordinates from")
     coords = []
     for rb in rigid_bodies:
-            # remove sub-rigid bodies
+        # remove sub-rigid bodies
         rb_members = [m for m in rb.get_members()
                       if not core.RigidBody.get_is_setup(m.get_particle())]
         coords.extend([m.get_coordinates() for m in rb_members])
diff --git a/modules/EMageFit/pyext/src/solutions_io.py b/modules/EMageFit/pyext/src/solutions_io.py
index 6c842ce0a0..638993051b 100644
--- a/modules/EMageFit/pyext/src/solutions_io.py
+++ b/modules/EMageFit/pyext/src/solutions_io.py
@@ -5,14 +5,8 @@
 import IMP.EMageFit.imp_general.io as io
 import IMP.EMageFit.database as database
 
-import sys
 import heapq
-import math
-import os
-import csv
-import time
 import logging
-import glob
 import numpy as np
 import collections
 
@@ -21,16 +15,15 @@
 unit_delim = "/"  # separate units within a field (eg, reference frames).
 field_delim = ","
 
-ClusterRecord = collections.namedtuple('ClusterRecord',
-                               ['cluster_id', 'n_elements', 'representative',
-                                'elements', 'solutions_ids'])
+ClusterRecord = collections.namedtuple(
+    'ClusterRecord',
+    ['cluster_id', 'n_elements', 'representative', 'elements',
+     'solutions_ids'])
 
-#
 
+#
 # INPUT/OUTPUT OF SOLUTIONS OBTAINED WITH DominoModel
-
 #
-
 class HeapRecord(tuple):
 
     """
@@ -96,8 +89,8 @@ def gather_best_solution_results(fns, fn_output, max_number=50000,
     ind = names.index(orderby)
     they_are_sorted = field_delim.join(names)
     # Get the native structure data from the first database
-    sql_command = """SELECT %s FROM %s
-                  WHERE assignment="native" LIMIT 1 """ % (they_are_sorted, tbl)
+    sql_command = """SELECT %s FROM %s WHERE assignment="native"
+                     LIMIT 1 """ % (they_are_sorted, tbl)
     native_data = db.retrieve_data(sql_command)
     db.close()
     log.info("Gathering results. Saving to %s", fn_output)
@@ -192,9 +185,9 @@ def gather_solution_results(fns, fn_output, raisef=0.1):
     out_db.close()
 
 
-def get_sorting_indices(l):
-    """ Return indices that sort the list l """
-    pairs = sorted([(element, i) for i, element in enumerate(l)])
+def get_sorting_indices(ls):
+    """ Return indices that sort the list ls"""
+    pairs = sorted([(element, i) for i, element in enumerate(ls)])
     indices = [p[1] for p in pairs]
     return indices
 
@@ -306,8 +299,9 @@ def get_solutions(self, fields=False, max_number=None, orderby=False):
         """
             Get solutions from the database.
             @param fields Fields requested. If the fields are in different
-            tables, a left join is done. Otherwise get_solutions_results_table()
-            is called. See get_solutions_results_table() for the meaning
+            tables, a left join is done. Otherwise
+            get_solutions_results_table() is called. See
+            get_solutions_results_table() for the meaning
             of the parameters.
             @param max_number
             @param orderby
@@ -440,7 +434,8 @@ def get_placement_fields(self):
     def add_ccc_table(self):
         """
             Add a table to the database for store the values of the cross
-            correlation coefficient between a model and the native configuration
+            correlation coefficient between a model and the native
+            configuration
         """
 
         self.check_if_is_connected()
@@ -452,7 +447,8 @@ def add_ccc_table(self):
         self.add_columns(self.native_table_name,
                          table_fields, table_types, check=True)
         self.update_data(self.native_table_name,
-                         table_fields, [0, 1.00], ["assignment"], ["\"native\""])
+                         table_fields, [0, 1.00],
+                         ["assignment"], ["\"native\""])
 
     def format_ccc_record(self, solution_id, ccc):
         """ Format for the record to store in the ccc table """
@@ -561,7 +557,8 @@ def get_solutions_from_list(self, fields=False, solutions_ids=[]):
         """
             Recover solutions for a specific list of results
             @param fields Fields to recover fro the database
-            @param solutions_ids A list with the desired solutions. E.g. [0,3,6]
+            @param solutions_ids A list with the desired solutions.
+                   E.g. [0,3,6]
         """
         sql_command = """ SELECT %s FROM %s WHERE solution_id IN (%s) """
         f = self.get_fields_string(fields)
@@ -604,19 +601,21 @@ def get_individual_placement_statistics(self, solutions_ids):
             Recovers from the database the placement scores for a set of
             solutions, and returns the mean and standard deviation of the
             placement score for each of the components of the complex being
-            scored. This function will be typical used to compute the variation
-            of the placement of each component within a cluster of solutions
+            scored. This function will be typically used to compute the
+            variation of the placement of each component within a cluster
+            of solutions
             @param solutions_ids The ids of the solutions used to compute
                                  the statistics
             @return The output are 4 numpy vectors:
                 placement_distances_mean - The mean placement distance for each
                                             component
                 placement_distances_stddev - The standard deviation of the
-                                            placement distance for each component
+                                            placement distance for each
+                                            component
                 placement_angles_mean - The mean placement angle for each
                                             component
-                placement_angles_stddev - The standard deviation of the placement
-                                            angle for each component,
+                placement_angles_stddev - The standard deviation of the
+                                           placement angle for each component.
         """
 
         self.check_if_is_connected()

From 8961297c683d66144f87192073b701f7b6a276ff Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 10 Jun 2021 12:50:53 -0700
Subject: [PATCH 039/250] Static var needs to be declared early

---
 modules/kernel/pyext/include/IMP_kernel.import_numpy.i | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/modules/kernel/pyext/include/IMP_kernel.import_numpy.i b/modules/kernel/pyext/include/IMP_kernel.import_numpy.i
index f70d2434dd..6d6c48d385 100644
--- a/modules/kernel/pyext/include/IMP_kernel.import_numpy.i
+++ b/modules/kernel/pyext/include/IMP_kernel.import_numpy.i
@@ -1,10 +1,12 @@
 // If IMP is built with numpy, initialize it in every module
 
 #if IMP_KERNEL_HAS_NUMPY
+%begin %{
+static int numpy_import_retval;
+%}
+
 %{
 #include <numpy/arrayobject.h>
-
-static int numpy_import_retval;
 %}
 
 %init {

From 4e410e64ff736dd38a2dbe09f44fa0e1c31962f8 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 11 Jun 2021 13:11:20 -0700
Subject: [PATCH 040/250] Fix test for out-of-range closed cubic splines

---
 modules/core/test/test_splines.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/modules/core/test/test_splines.py b/modules/core/test/test_splines.py
index 1dc7f9d775..467b06cc21 100644
--- a/modules/core/test/test_splines.py
+++ b/modules/core/test/test_splines.py
@@ -34,8 +34,8 @@ def test_range(self):
         self.assertRaises(IMP.ModelException, open_spline.evaluate, 20.1)
         self.assertEqual(closed_spline.evaluate(10.0), 0.0)
         self.assertEqual(closed_spline.evaluate(25.0), 0.0)
-        self.assertRaises(IMP.ModelException, open_spline.evaluate, 9.9)
-        self.assertRaises(IMP.ModelException, open_spline.evaluate, 25.1)
+        self.assertRaises(ValueError, closed_spline.evaluate, 9.9)
+        self.assertRaises(ValueError, closed_spline.evaluate, 25.1)
 
     def test_interpolate(self):
         """Test that spline-interpolated values are correct"""

From b99932598c27c5e295e31b63fb39d9bae80dbe46 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 11 Jun 2021 13:32:47 -0700
Subject: [PATCH 041/250] Make spline out-of-range errors more useful

Have both open and closed cubic splines throw the
same exception (ValueError) on an out-of-range value,
and report both the value and the expected range in
the error message.
---
 ChangeLog.md                                    | 2 ++
 modules/core/src/ClosedCubicSpline.cpp          | 3 ++-
 modules/core/test/test_splines.py               | 4 ++--
 modules/score_functor/include/OpenCubicSpline.h | 6 ++++--
 4 files changed, 10 insertions(+), 5 deletions(-)

diff --git a/ChangeLog.md b/ChangeLog.md
index 23ef36c580..b8aaf3cc36 100644
--- a/ChangeLog.md
+++ b/ChangeLog.md
@@ -2,6 +2,8 @@ ChangeLog {#changelog}
 =========
 
 # HEAD
+- OpenCubicSpline now throws a ValueException for out-of-range values, to
+  be consistent with ClosedCubicSpline (previously it threw ModelException).
 - The deprecated methods
   IMP::{Singleton,Pair,Triplet,Quad}Predicate::get_value() have been removed.
   Use the get_value_index() methods instead.
diff --git a/modules/core/src/ClosedCubicSpline.cpp b/modules/core/src/ClosedCubicSpline.cpp
index 13e8afb56a..8b0d392dd5 100644
--- a/modules/core/src/ClosedCubicSpline.cpp
+++ b/modules/core/src/ClosedCubicSpline.cpp
@@ -57,7 +57,8 @@ ClosedCubicSpline::ClosedCubicSpline(const Floats &values, double minrange,
 double ClosedCubicSpline::evaluate(double feature) const {
   // check for feature in range
   if (feature < minrange_ || feature > maxrange_) {
-    throw ValueException("Value out of range for closed cubic spline");
+    IMP_THROW("Value " << feature << " out of range [" << minrange_ << ", "
+              << maxrange_ << "] for closed cubic spline", ValueException);
   }
 
   // determine bin index and thus the cubic fragment to use:
diff --git a/modules/core/test/test_splines.py b/modules/core/test/test_splines.py
index 467b06cc21..9e3be3f67a 100644
--- a/modules/core/test/test_splines.py
+++ b/modules/core/test/test_splines.py
@@ -30,8 +30,8 @@ def test_range(self):
         closed_spline.set_was_used(True)
         self.assertEqual(open_spline.evaluate(10.0), 0.0)
         self.assertEqual(open_spline.evaluate(20.0), 0.0)
-        self.assertRaises(IMP.ModelException, open_spline.evaluate, 9.9)
-        self.assertRaises(IMP.ModelException, open_spline.evaluate, 20.1)
+        self.assertRaises(ValueError, open_spline.evaluate, 9.9)
+        self.assertRaises(ValueError, open_spline.evaluate, 20.1)
         self.assertEqual(closed_spline.evaluate(10.0), 0.0)
         self.assertEqual(closed_spline.evaluate(25.0), 0.0)
         self.assertRaises(ValueError, closed_spline.evaluate, 9.9)
diff --git a/modules/score_functor/include/OpenCubicSpline.h b/modules/score_functor/include/OpenCubicSpline.h
index e50e5473a5..f8fa598480 100644
--- a/modules/score_functor/include/OpenCubicSpline.h
+++ b/modules/score_functor/include/OpenCubicSpline.h
@@ -61,7 +61,8 @@ class OpenCubicSpline : public Score {
         else
           return spline_.get_last();
       } else {
-        IMP_THROW("Spline out of domain", ModelException);
+        IMP_THROW("Value " << distance << " out of range [" << minrange_ << ", "
+                  << maxrange_ << "] for open cubic spline", ValueException);
       }
     }
     return spline_.evaluate(distance - minrange_, spacing_, inverse_spacing_);
@@ -78,7 +79,8 @@ class OpenCubicSpline : public Score {
         else
           return std::make_pair(spline_.get_last(), 0.0);
       } else {
-        IMP_THROW("Spline out of domain", ModelException);
+        IMP_THROW("Value " << distance << " out of range [" << minrange_ << ", "
+                  << maxrange_ << "] for open cubic spline", ValueException);
       }
     }
     return spline_.evaluate_with_derivative(distance - minrange_, spacing_,

From 83df1cabcf1a51a254c37f9e133a640f428a4668 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 14 Jun 2021 10:30:41 -0700
Subject: [PATCH 042/250] Don't fail hard if numpy is unavailable

If we built IMP with numpy, don't require numpy
to be available at runtime - everything should
still work without it.
---
 modules/kernel/pyext/include/IMP_kernel.import_numpy.i | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/modules/kernel/pyext/include/IMP_kernel.import_numpy.i b/modules/kernel/pyext/include/IMP_kernel.import_numpy.i
index 6d6c48d385..27b1961379 100644
--- a/modules/kernel/pyext/include/IMP_kernel.import_numpy.i
+++ b/modules/kernel/pyext/include/IMP_kernel.import_numpy.i
@@ -11,5 +11,7 @@ static int numpy_import_retval;
 
 %init {
   numpy_import_retval = _import_array();
+  /* If numpy was not found, continue anyway without numpy support */
+  PyErr_Clear();
 }
 #endif

From f0a04d348480a0e47e74e6948b57ee767d1fcd2a Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 17 Jun 2021 18:06:42 -0700
Subject: [PATCH 043/250] Expose map data and locations to Python

If we have numpy, provide Python interfaces
for DensityMap's get_[xyz]_loc() and get_data()
methods, to expose internal arrays as numpy
array views.
---
 modules/em/pyext/swig.i-in                | 100 +++++++++++++++++++++-
 modules/em/test/test_density_map_numpy.py |  61 +++++++++++++
 2 files changed, 160 insertions(+), 1 deletion(-)
 create mode 100644 modules/em/test/test_density_map_numpy.py

diff --git a/modules/em/pyext/swig.i-in b/modules/em/pyext/swig.i-in
index 0b7b1dc52e..6f96f091af 100644
--- a/modules/em/pyext/swig.i-in
+++ b/modules/em/pyext/swig.i-in
@@ -28,6 +28,86 @@ IMP_SWIG_VALUE(IMP::em, FittingSolutions, FittingSolutionsList);
 IMP_SWIG_OBJECT(IMP::em, MapDistanceTransform, MapDistanceTransforms);
 IMP_SWIG_OBJECT(IMP::em, EnvelopeScore, EnvelopeScores);
 
+%{
+PyObject *_get_float_view_numpy(PyObject *pyobj, unsigned sz, float *data)
+{
+#if IMP_KERNEL_HAS_NUMPY
+  if (numpy_import_retval != 0) {
+    return NULL;
+  }
+
+  npy_intp dims[1];
+  dims[0] = sz;
+
+  PyObject *obj = PyArray_New(&PyArray_Type, 1, dims, NPY_FLOAT, NULL,
+                              data, 0, 0, NULL);
+  if (!obj) {
+    return NULL;
+  }
+
+  /* Ensure that the DensityMap is kept around as long as the numpy object
+     is alive. */
+  Py_INCREF(pyobj);
+  PyArray_BASE(obj) = pyobj;
+
+  return obj;
+#else
+  PyErr_SetString(PyExc_NotImplementedError,
+                  "IMP was built without NumPy support");
+  return NULL;
+#endif
+}
+%}
+
+%inline %{
+  PyObject *_get_density_map_x_loc(IMP::em::DensityMap *m, PyObject *pyobj) {
+    return _get_float_view_numpy(pyobj, m->get_number_of_voxels(),
+                                 m->get_x_loc());
+  }
+
+  PyObject *_get_density_map_y_loc(IMP::em::DensityMap *m, PyObject *pyobj) {
+    return _get_float_view_numpy(pyobj, m->get_number_of_voxels(),
+                                 m->get_y_loc());
+  }
+
+  PyObject *_get_density_map_z_loc(IMP::em::DensityMap *m, PyObject *pyobj) {
+    return _get_float_view_numpy(pyobj, m->get_number_of_voxels(),
+                                 m->get_z_loc());
+  }
+
+  PyObject *_get_density_map_data(IMP::em::DensityMap *m, PyObject *pyobj) {
+#if IMP_KERNEL_HAS_NUMPY
+    if (numpy_import_retval != 0) {
+      return NULL;
+    }
+
+    const IMP::em::DensityHeader *header = m->get_header();
+    npy_intp dims[3];
+    dims[0] = header->get_nz();
+    dims[1] = header->get_ny();
+    dims[2] = header->get_nx();
+
+    PyObject *obj = PyArray_New(&PyArray_Type, 3, dims, NPY_DOUBLE, NULL,
+                                m->get_data(), 0, NPY_WRITEABLE, NULL);
+    if (!obj) {
+      return NULL;
+    }
+
+    /* Ensure that the DensityMap is kept around as long as the numpy object
+       is alive. */
+    Py_INCREF(pyobj);
+    PyArray_BASE(obj) = pyobj;
+
+    return obj;
+#else
+    PyErr_SetString(PyExc_NotImplementedError,
+                    "IMP was built without NumPy support");
+    return NULL;
+#endif
+  }
+%}
+
+
 /* Since DensityHeaders are not values or Objects, we must ensure that whenever
    pointers to them are returned to Python, the object that manages the header's
    storage (usually a DensityMap) must be kept alive so that the header is not
@@ -50,6 +130,24 @@ namespace IMP {
         h._owner = self
         return h
   %}
+
+  // If we have numpy, provide methods to give access to internal data
+  // as numpy arrays
+  %extend DensityMap {
+    %pythoncode %{
+      def get_x_loc(self):
+          return _get_density_map_x_loc(self, self)
+
+      def get_y_loc(self):
+          return _get_density_map_y_loc(self, self)
+
+      def get_z_loc(self):
+          return _get_density_map_z_loc(self, self)
+
+      def get_data(self):
+          return _get_density_map_data(self, self)
+    %}
+  }
  }
 }
 
@@ -128,4 +226,4 @@ def write_pca_cmm(pca, fh):
         fh.write("<link id1= \"%d\" id2=\"%d\" radius=\"%g\"/>\n"
               % (i, i+1, radius))
     fh.write("</marker_set>\n")
-%}
\ No newline at end of file
+%}
diff --git a/modules/em/test/test_density_map_numpy.py b/modules/em/test/test_density_map_numpy.py
new file mode 100644
index 0000000000..269321cb37
--- /dev/null
+++ b/modules/em/test/test_density_map_numpy.py
@@ -0,0 +1,61 @@
+from __future__ import print_function
+import IMP
+import IMP.test
+import IMP.em
+import weakref
+
+
+class Tests(IMP.test.TestCase):
+    def test_xyz_loc(self):
+        """Test get_x_loc() and friends"""
+        m = IMP.em.read_map(self.get_input_file_name("mini-4.0.mrc"))
+        p = weakref.ref(m)
+
+        if IMP.IMP_KERNEL_HAS_NUMPY:
+            x_loc, y_loc, z_loc = m.get_x_loc(), m.get_y_loc(), m.get_z_loc()
+            self.assertEqual(len(x_loc), 19656)
+            self.assertEqual(len(y_loc), 19656)
+            self.assertEqual(len(z_loc), 19656)
+            self.assertAlmostEqual(x_loc[0], 89.73, delta=0.01)
+            self.assertAlmostEqual(y_loc[0], 44.75, delta=0.01)
+            self.assertAlmostEqual(z_loc[0], -53.84, delta=0.01)
+            # Locations cannot be altered in Python
+            self.assertRaises(ValueError, x_loc.__setitem__, 0, 42)
+            self.assertRaises(ValueError, y_loc.__setitem__, 0, 42)
+            self.assertRaises(ValueError, z_loc.__setitem__, 0, 42)
+            # DensityMap should not be freed until all views are
+            del m
+            self.assertIsNotNone(p())
+            del x_loc
+            self.assertIsNotNone(p())
+            del y_loc
+            self.assertIsNotNone(p())
+            del z_loc
+            self.assertIsNone(p())
+        else:
+            self.assertRaises(NotImplementedError, m.get_x_loc)
+            self.assertRaises(NotImplementedError, m.get_y_loc)
+            self.assertRaises(NotImplementedError, m.get_z_loc)
+
+    def test_data(self):
+        """Test get_data()"""
+        m = IMP.em.read_map(self.get_input_file_name("mini-4.0.mrc"))
+        p = weakref.ref(m)
+
+        if IMP.IMP_KERNEL_HAS_NUMPY:
+            data = m.get_data()
+            self.assertEqual(data.shape, (27, 28, 26))
+            self.assertAlmostEqual(data[17,14,10], 1.006, delta=1e-3)
+            data[17,14,10] = 2.0
+            self.assertAlmostEqual(data[17,14,10], 2.000, delta=1e-3)
+            # DensityMap should not be freed until all views are
+            del m
+            self.assertIsNotNone(p())
+            del data
+            self.assertIsNone(p())
+        else:
+            self.assertRaises(NotImplementedError, m.get_data)
+
+
+if __name__ == '__main__':
+    IMP.test.main()

From 7a6aceeb39605ac36fb3f810216a9c7101f73605 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 7 Jul 2021 16:48:36 -0700
Subject: [PATCH 044/250] Add failing test for handling of invalid PDB files

---
 modules/atom/test/input/invalid.pdb | 2 ++
 modules/atom/test/test_pdb.py       | 6 ++++++
 2 files changed, 8 insertions(+)
 create mode 100644 modules/atom/test/input/invalid.pdb

diff --git a/modules/atom/test/input/invalid.pdb b/modules/atom/test/input/invalid.pdb
new file mode 100644
index 0000000000..b7122bc28f
--- /dev/null
+++ b/modules/atom/test/input/invalid.pdb
@@ -0,0 +1,2 @@
+ATOM      1  N   LYS A   1       3.287  10.092  10.329  5.89  1.50           N  
+ATOM
diff --git a/modules/atom/test/test_pdb.py b/modules/atom/test/test_pdb.py
index c8b907479c..872323c627 100644
--- a/modules/atom/test/test_pdb.py
+++ b/modules/atom/test/test_pdb.py
@@ -40,6 +40,12 @@ def test_selector_standard_object_methods(self):
         self.check_standard_object_methods(IMP.atom.NonWaterPDBSelector())
         self.check_standard_object_methods(IMP.atom.NPDBSelector())
 
+    def test_invalid(self):
+        """Check handling of invalid format PDB files"""
+        m = IMP.Model()
+        mp = IMP.atom.read_pdb(self.open_input_file("invalid.pdb"),
+                               m, IMP.atom.NonWaterPDBSelector())
+
     def test_read(self):
         """Check reading a pdb with one protein"""
         m = IMP.Model()

From 9ff2d815e5067194c564e5e78e3e1fb6efcbfa28 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 7 Jul 2021 17:07:02 -0700
Subject: [PATCH 045/250] Ignore ATOM/HETATM records without coordinates

If an ATOM or HETATM line doesn't have coordinates,
just ignore it, since most PDB-handling functions
assume the coordinates are there and will just crash
if given a truncated line.
---
 modules/atom/src/internal/pdb.cpp | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/modules/atom/src/internal/pdb.cpp b/modules/atom/src/internal/pdb.cpp
index f52da34a44..c2f55b4234 100644
--- a/modules/atom/src/internal/pdb.cpp
+++ b/modules/atom/src/internal/pdb.cpp
@@ -111,12 +111,14 @@ Particle* chain_particle(Model* m, std::string chain_id, std::string filename) {
 }
 
 bool is_ATOM_rec(const String& pdb_line) {
-  return (pdb_line[0] == 'A' && pdb_line[1] == 'T' && pdb_line[2] == 'O' &&
+  return (pdb_line.length() >= atom_zcoord_field_ + 8 &&
+          pdb_line[0] == 'A' && pdb_line[1] == 'T' && pdb_line[2] == 'O' &&
           pdb_line[3] == 'M');
 }
 
 bool is_HETATM_rec(const String& pdb_line) {
-  return (pdb_line[0] == 'H' && pdb_line[1] == 'E' && pdb_line[2] == 'T' &&
+  return (pdb_line.length() >= atom_zcoord_field_ + 8 &&
+          pdb_line[0] == 'H' && pdb_line[1] == 'E' && pdb_line[2] == 'T' &&
           pdb_line[3] == 'A' && pdb_line[4] == 'T' && pdb_line[5] == 'M');
 }
 

From 465de50942bd4b71b87185f42f6b4de0a9782e0d Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 7 Jul 2021 18:04:14 -0700
Subject: [PATCH 046/250] Make --help and --version work normally

Change the --help and --version arguments so
they behave like other software. In particular,
--version should actually show the version now,
and usage information is shown at the top of the
program output, not in the description for --help.
---
 modules/foxs/bin/foxs.cpp              | 26 +++++++++++++-----------
 modules/kinematics/bin/rrt_ccd.cpp     | 20 +++++++++++-------
 modules/kinematics/bin/rrt_sample.cpp  | 19 ++++++++++-------
 modules/multi_state/bin/multi_foxs.cpp | 28 +++++++++++++++-----------
 4 files changed, 55 insertions(+), 38 deletions(-)

diff --git a/modules/foxs/bin/foxs.cpp b/modules/foxs/bin/foxs.cpp
index a72d3c9bff..d9a5dcc79c 100644
--- a/modules/foxs/bin/foxs.cpp
+++ b/modules/foxs/bin/foxs.cpp
@@ -48,14 +48,16 @@ int main(int argc, char** argv) {
   bool score_log = false;
   bool gnuplot_script = false;
   bool explicit_water = false;
-  po::options_description desc("Options");
+  po::options_description desc(
+      "Usage: <pdb_file1> <pdb_file2> ... <profile_file1> <profile_file2> ...\n"
+      "\nAny number of input PDBs and profiles is supported.\n"
+      "Each PDB will be fitted against each profile.\n\n"
+      "This program is part of IMP, the Integrative Modeling Platform,\n"
+      "which is Copyright 2007-2021 IMP Inventors.\n\n"
+      "Options");
   desc.add_options()
-    ("help", "Any number of input PDBs and profiles is supported. \
-Each PDB will be fitted against each profile.")
-    ("version", "FoXS (IMP applications)\nCopyright 2007-2021 IMP Inventors.\n\
-All rights reserved. \nLicense: GNU LGPL version 2.1 or later\n\
-<http://gnu.org/licenses/lgpl.html>.\n\
-Written by Dina Schneidman.")
+    ("help", "Show command line arguments and exit.")
+    ("version", "Show version info and exit.")
     ("profile_size,s", po::value<int>(&profile_size)->default_value(500, "500"),
      "number of points in the profile")
     ("max_q,q", po::value<float>(&max_q)->default_value(0.5, "0.50"), "max q value")
@@ -109,10 +111,6 @@ constant form factor (default = false)")
   po::options_description cmdline_options;
   cmdline_options.add(desc).add(hidden);
 
-  po::options_description visible(
-      "Usage: <pdb_file1> <pdb_file2> ... <profile_file1> <profile_file2> ... ");
-  visible.add(desc);
-
   po::positional_options_description p;
   p.add("input-files", -1);
   po::variables_map vm;
@@ -122,6 +120,10 @@ constant form factor (default = false)")
                 .run(),
             vm);
   po::notify(vm);
+  if (vm.count("version")) {
+    std::cerr << "Version: \"" << get_module_version() << "\"" << std::endl;
+    return 0;
+  }
 
   bool fit = true;
   std::vector<std::string> files, pdb_files, dat_files;
@@ -129,7 +131,7 @@ constant form factor (default = false)")
     files = vm["input-files"].as<std::vector<std::string> >();
   }
   if (vm.count("help") || files.size() == 0) {
-    std::cout << visible << "\n";
+    std::cout << desc << "\n";
     return 0;
   }
   if (vm.count("hydrogens")) heavy_atoms_only = false;
diff --git a/modules/kinematics/bin/rrt_ccd.cpp b/modules/kinematics/bin/rrt_ccd.cpp
index 9cda1ffbad..9164ab39f8 100644
--- a/modules/kinematics/bin/rrt_ccd.cpp
+++ b/modules/kinematics/bin/rrt_ccd.cpp
@@ -51,10 +51,14 @@ int main(int argc, char **argv)
   float radii_scaling = 0.5;
   bool reset_angles = false;
   std::string connect_chains_file;
-  po::options_description desc("Options");
+  po::options_description desc(
+      "Usage: <pdb_file> <rotatable_angles_file>\n\n"
+      "This program is part of IMP, the Integrative Modeling Platform,\n"
+      "which is Copyright 2007-2021 IMP Inventors.\n\n"
+      "Options");
   desc.add_options()
-    ("help", "PDB file and rotatable angles file")
-    ("version", "Written by Dina Schneidman.")
+    ("help", "Show command line arguments and exit.")
+    ("version", "Show version info and exit.")
     ("number_of_iterations,i", po::value<int>(&number_of_iterations)->default_value(100),
      "number of iterations")
     ("number_of_nodes,n", po::value<int>(&number_of_nodes)->default_value(100),
@@ -84,9 +88,6 @@ int main(int argc, char **argv)
   po::options_description cmdline_options;
   cmdline_options.add(desc).add(hidden);
 
-  po::options_description visible("Usage: <pdb_file> <rotatable_angles_file>");
-  visible.add(desc);
-
   po::positional_options_description p;
   p.add("input-files", -1);
   po::variables_map vm;
@@ -94,12 +95,17 @@ int main(int argc, char **argv)
             argv).options(cmdline_options).positional(p).run(), vm);
   po::notify(vm);
 
+  if (vm.count("version")) {
+    std::cerr << "Version: \"" << get_module_version() << "\"" << std::endl;
+    return 0;
+  }
+
   std::vector<std::string> files;
   if(vm.count("input-files")) {
     files = vm["input-files"].as< std::vector<std::string> >();
   }
   if(vm.count("help") || files.size() == 0) {
-    std::cout << visible << "\n";
+    std::cout << desc << "\n";
     return 0;
   }
   if(radii_scaling < 0.5 || radii_scaling > 1.0) {
diff --git a/modules/kinematics/bin/rrt_sample.cpp b/modules/kinematics/bin/rrt_sample.cpp
index ec54ad83b3..1dc7b4fe9b 100644
--- a/modules/kinematics/bin/rrt_sample.cpp
+++ b/modules/kinematics/bin/rrt_sample.cpp
@@ -50,10 +50,14 @@ int rrt_sample(int argc, char **argv)
   float radii_scaling = 0.5;
   bool reset_angles = false;
   std::string connect_chains_file;
-  po::options_description desc("Options");
+  po::options_description desc(
+      "Usage: <pdb_file> <rotatable_angles_file>\n\n"
+      "This program is part of IMP, the Integrative Modeling Platform,\n"
+      "which is Copyright 2007-2021 IMP Inventors.\n\n"
+      "Options");
   desc.add_options()
-    ("help", "PDB file and rotatable angles file")
-    ("version", "Written by Dina Schneidman.")
+    ("help", "Show command line arguments and exit.")
+    ("version", "Show version info and exit.")
     ("number_of_iterations,i", po::value<int>(&number_of_iterations)->default_value(100),
      "number of iterations")
     ("number_of_nodes,n", po::value<int>(&number_of_nodes)->default_value(100),
@@ -83,22 +87,23 @@ int rrt_sample(int argc, char **argv)
   po::options_description cmdline_options;
   cmdline_options.add(desc).add(hidden);
 
-  po::options_description visible("Usage: <pdb_file> <rotatable_angles_file>");
-  visible.add(desc);
-
   po::positional_options_description p;
   p.add("input-files", -1);
   po::variables_map vm;
   po::store(po::command_line_parser(argc,
             argv).options(cmdline_options).positional(p).run(), vm);
   po::notify(vm);
+  if (vm.count("version")) {
+    std::cerr << "Version: \"" << get_module_version() << "\"" << std::endl;
+    return 0;
+  }
 
   std::vector<std::string> files;
   if(vm.count("input-files")) {
     files = vm["input-files"].as< std::vector<std::string> >();
   }
   if(vm.count("help") || files.size() == 0) {
-    std::cout << visible << "\n";
+    std::cout << desc << "\n";
     return 0;
   }
   if(radii_scaling < 0.5 || radii_scaling > 1.0) {
diff --git a/modules/multi_state/bin/multi_foxs.cpp b/modules/multi_state/bin/multi_foxs.cpp
index d8a5c72cd4..c7263f9a93 100644
--- a/modules/multi_state/bin/multi_foxs.cpp
+++ b/modules/multi_state/bin/multi_foxs.cpp
@@ -166,15 +166,17 @@ int main(int argc, char* argv[]) {
   bool vr_score = false;
   bool use_offset = false;
 
-  po::options_description desc("Options");
+  po::options_description desc(
+      "Usage: <experimental_profile> <pdb_file1> <pdb_file2> ... or <profiles_filename>\n\n"
+      "Any number of input profiles is supported.\n"
+      "The weights are computed to minimize the chi between the first profile\n"
+      "and a weighted average of the rest.\n\n"
+      "This program is part of IMP, the Integrative Modeling Platform,\n"
+      "which is Copyright 2007-2021 IMP Inventors.\n\n"
+      "Options");
   desc.add_options()
-    ("help", "Any number of input profiles is supported. \
-The weights are computed to minimize the chi between the first profile \
-and a weighted average of the rest.")
-    ("version", "MultiFoXS (IMP applications)\n \
-Copyright 2007-2021 IMP Inventors.\nAll rights reserved. \n \
-License: GNU LGPL version 2.1 or later<http://gnu.org/licenses/lgpl.html>.\n\
-Written by Dina Schneidman.")
+    ("help", "Show command line arguments and exit.")
+    ("version", "Show version info and exit.")
     ("number-of-states,s", po::value<int>(&number_of_states)->default_value(10),
      "maximal ensemble size")
     ("bestK,k", po::value<int>(&best_k)->default_value(1000), "bestK")
@@ -215,9 +217,6 @@ recommended q value is 0.2")
 
   po::options_description cmdline_options;
   cmdline_options.add(desc).add(hidden);
-  po::options_description visible("Usage: <experimental_profile> \
-<pdb_file1> <pdb_file2> ... or <profiles_filename>");
-  visible.add(desc);
 
   po::positional_options_description p;
   p.add("input-files", -1);
@@ -225,13 +224,18 @@ recommended q value is 0.2")
   po::store(po::command_line_parser(argc,argv)
             .options(cmdline_options).positional(p).run(), vm);
   po::notify(vm);
+  if (vm.count("version")) {
+    std::cerr << "Version: \"" << IMP::multi_state::get_module_version()
+              << "\"" << std::endl;
+    return 0;
+  }
 
   std::vector<std::string> files;
   if(vm.count("input-files")) {
     files = vm["input-files"].as< std::vector<std::string> >();
   }
   if(vm.count("help") || files.size() == 0) {
-    std::cout << visible << "\n";
+    std::cout << desc << "\n";
     return 0;
   }
   if(vm.count("nnls")) nnls = true;

From 673a5c3b0a41980d7bbb8a8c774d5259b5231679 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 8 Jul 2021 15:15:15 -0700
Subject: [PATCH 047/250] Don't crash background_adjust on empty profiles

Have Profile.background_adjust() warn and return
if the given start_q is greater than any point
in the profile, rather than causing a crash in
algebra::ParabolicFit2D.
---
 modules/saxs/src/Profile.cpp   | 5 +++++
 modules/saxs/test/test_saxs.py | 8 ++++++++
 2 files changed, 13 insertions(+)

diff --git a/modules/saxs/src/Profile.cpp b/modules/saxs/src/Profile.cpp
index 822b0c763c..64e39bc21c 100644
--- a/modules/saxs/src/Profile.cpp
+++ b/modules/saxs/src/Profile.cpp
@@ -1032,6 +1032,11 @@ void Profile::background_adjust(double start_q) {
       data.push_back(v);
     }
   }
+  if (data.size() == 0) {
+    IMP_WARN("No points in profile at or above start_q; no background "
+             "adjustment done" << std::endl);
+    return;
+  }
 
   algebra::ParabolicFit p(data);
   double P3 = p.get_a();
diff --git a/modules/saxs/test/test_saxs.py b/modules/saxs/test/test_saxs.py
index 95aaae2d77..f4f0b11856 100644
--- a/modules/saxs/test/test_saxs.py
+++ b/modules/saxs/test/test_saxs.py
@@ -211,6 +211,14 @@ def test_saxs_residue_particle_restraint(self):
 
         self.assertAlmostEqual(saxs_score.compute_score(model_profile), 1.03, delta=0.01)
 
+    def test_background_adjust(self):
+        """Test Profile.background_adjust"""
+        exp_profile = IMP.saxs.Profile(self.get_input_file_name('lyzexp.dat'))
+        exp_profile.background_adjust(0.2)
+        # Should be a noop if start_q is greater than any profile point,
+        # rather than causing a crash
+        exp_profile.background_adjust(2000.)
+
 
 if __name__ == '__main__':
     IMP.test.main()

From 3fbd447d3605e02c0fafad52b1b12462d8ec7c4e Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 8 Jul 2021 15:17:26 -0700
Subject: [PATCH 048/250] Use modern class name

ParabolicFit was renamed to ParabolicFit2D
long ago, so use the new name.
---
 modules/saxs/src/Profile.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/saxs/src/Profile.cpp b/modules/saxs/src/Profile.cpp
index 64e39bc21c..f07f815171 100644
--- a/modules/saxs/src/Profile.cpp
+++ b/modules/saxs/src/Profile.cpp
@@ -1038,7 +1038,7 @@ void Profile::background_adjust(double start_q) {
     return;
   }
 
-  algebra::ParabolicFit p(data);
+  algebra::ParabolicFit2D p(data);
   double P3 = p.get_a();
   double P2 = p.get_b();
   double P1 = p.get_c();

From 31468210a1f64bf591c19a6c0b0a65fc7b1249ae Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 9 Jul 2021 14:44:04 -0700
Subject: [PATCH 049/250] Add functions to read PDB or mmCIF

Add utility functions which can be used to
replace existing calls to read_pdb() or
read_multimodel_pdb(), which read either a
PDB file or an mmCIF depending on the file
extension.
---
 modules/atom/include/mmcif.h    | 38 +++++++++++++++++++++++++++++++++
 modules/atom/test/test_mmcif.py | 24 +++++++++++++++++++++
 modules/atom/test/test_pdb.py   | 18 ++++++++++++++++
 3 files changed, 80 insertions(+)

diff --git a/modules/atom/include/mmcif.h b/modules/atom/include/mmcif.h
index 893f7b8e66..e3787b1de8 100644
--- a/modules/atom/include/mmcif.h
+++ b/modules/atom/include/mmcif.h
@@ -31,6 +31,44 @@ IMPATOMEXPORT Hierarchy read_mmcif(TextInput input, Model *model,
 #endif
                         );
 
+//! Read all the molecules in the first model of the PDB or mmCIF file.
+/** If the filename ends in '.cif' it is treated as an mmCIF file,
+    otherwise a PDB file is read.
+    Note that TextInputs created from streams don't have a name and so
+    will always be treated as PDB. */
+Hierarchy read_pdb_or_mmcif(TextInput input, Model *model,
+                         PDBSelector *selector = get_default_pdb_selector()
+#ifndef IMP_DOXYGEN
+                         , bool noradii = false
+#endif
+                        ) {
+  std::string filename = input.get_name();
+  if (filename.find(".cif") == filename.size() - 4) {
+    return read_mmcif(input, model, selector, noradii);
+  } else {
+    return read_pdb(input, model, selector, noradii);
+  }
+}
+
+//! Read all models from the PDB or mmCIF file.
+/** If the filename ends in '.cif' it is treated as an mmCIF file,
+    otherwise a PDB file is read.
+    Note that TextInputs created from streams don't have a name and so
+    will always be treated as PDB. */
+Hierarchies read_multimodel_pdb_or_mmcif(TextInput input, Model *model,
+                         PDBSelector *selector = get_default_pdb_selector()
+#ifndef IMP_DOXYGEN
+                         , bool noradii = false
+#endif
+                        ) {
+  std::string filename = input.get_name();
+  if (filename.find(".cif") == filename.size() - 4) {
+    return read_multimodel_mmcif(input, model, selector, noradii);
+  } else {
+    return read_multimodel_pdb(input, model, selector, noradii);
+  }
+}
+
 IMPATOM_END_NAMESPACE
 
 #endif /* IMPATOM_MMCIF_H */
diff --git a/modules/atom/test/test_mmcif.py b/modules/atom/test/test_mmcif.py
index 5c278875b4..6b8d99fc71 100644
--- a/modules/atom/test/test_mmcif.py
+++ b/modules/atom/test/test_mmcif.py
@@ -19,6 +19,16 @@ def test_bad_read(self):
                           self.open_input_file("notapdb.pdb"),
                           m)
 
+    def test_read_pdb_or_mmcif(self):
+        """Check reading mmCIF with read_pdb_or_mmcif"""
+        m = IMP.Model()
+
+        mp = IMP.atom.read_pdb_or_mmcif(
+            self.get_input_file_name("input.cif"), m)
+        chains = [IMP.atom.Chain(x)
+                  for x in IMP.atom.get_by_type(mp, IMP.atom.CHAIN_TYPE)]
+        self.assertEqual(len(m.get_particle_indexes()), 435)
+
     def test_read(self):
         """Check reading an mmCIF file with one protein"""
         m = IMP.Model()
@@ -38,6 +48,20 @@ def test_read(self):
         inscodes = [r.get_insertion_code() for r in rs[:4]]
         self.assertEqual(inscodes, [' ', ' ', 'A', ' '])
 
+    def test_read_multimodel_pdb_or_mmcif(self):
+        """Check reading mmCIF with read_multimodel_pdb_or_mmcif"""
+        m = IMP.Model()
+
+        mps = IMP.atom.read_multimodel_pdb_or_mmcif(
+            self.get_input_file_name("input.cif"), m)
+        mp1, mp2 = mps
+        chains1 = [IMP.atom.Chain(x)
+                   for x in IMP.atom.get_by_type(mp1, IMP.atom.CHAIN_TYPE)]
+        self.assertEqual([c.get_id() for c in chains1], ['', 'X', 'A'])
+        chains2 = [IMP.atom.Chain(x)
+                   for x in IMP.atom.get_by_type(mp2, IMP.atom.CHAIN_TYPE)]
+        self.assertEqual([c.get_id() for c in chains2], [''])
+
     def test_read_multimodel(self):
         """Check reading a multimodel mmCIF file"""
         m = IMP.Model()
diff --git a/modules/atom/test/test_pdb.py b/modules/atom/test/test_pdb.py
index 872323c627..079efbaea4 100644
--- a/modules/atom/test/test_pdb.py
+++ b/modules/atom/test/test_pdb.py
@@ -46,6 +46,15 @@ def test_invalid(self):
         mp = IMP.atom.read_pdb(self.open_input_file("invalid.pdb"),
                                m, IMP.atom.NonWaterPDBSelector())
 
+    def test_read_mmcif_or_pdb(self):
+        """Check reading a PDB with read_pdb_or_mmcif()"""
+        m = IMP.Model()
+
+        mp = IMP.atom.read_pdb_or_mmcif(
+            self.open_input_file("input.pdb"),
+            m, IMP.atom.NonWaterPDBSelector())
+        self.assertEqual(len(m.get_particle_indexes()), 1133)
+
     def test_read(self):
         """Check reading a pdb with one protein"""
         m = IMP.Model()
@@ -196,6 +205,15 @@ def test_read_non_prob(self):
         a = IMP.atom.get_leaves(mp)
         self.assertEqual(len(a), 1)
 
+    def test_read_multimodel_pdb_or_mmcif(self):
+        """Check reading PDB with read_multimodel_pdb_or_mmcif"""
+        m = IMP.Model()
+        h = IMP.atom.read_multimodel_pdb_or_mmcif(
+            self.open_input_file("multimodel.pdb"), m,
+            IMP.atom.AllPDBSelector())
+        ln = IMP.atom.get_leaves(h)
+        self.assertEqual(len(ln), 19740)
+
     def test_read_one_model(self):
         """Check that only the first model is read"""
         m = IMP.Model()

From 4370badb540e525bfc38dc24098cda35197e9b19 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 9 Jul 2021 14:54:25 -0700
Subject: [PATCH 050/250] Accept either PDB or mmCIF inputs

---
 modules/atom/bin/ligand_score.cpp             |   11 +-
 modules/atom/bin/ligand_score_multiple.cpp    |    8 +-
 modules/atom/test/input/1d3d-protein.cif      | 2669 +++++++++++++++++
 modules/atom/test/input/ligscore_test.cif     | 1590 ++++++++++
 modules/atom/test/test_ligand_score.py        |   11 +-
 .../atom/test/test_ligand_score_multiple.py   |   14 +-
 6 files changed, 4291 insertions(+), 12 deletions(-)
 create mode 100644 modules/atom/test/input/1d3d-protein.cif
 create mode 100644 modules/atom/test/input/ligscore_test.cif

diff --git a/modules/atom/bin/ligand_score.cpp b/modules/atom/bin/ligand_score.cpp
index 7c49287a94..0577c8e260 100644
--- a/modules/atom/bin/ligand_score.cpp
+++ b/modules/atom/bin/ligand_score.cpp
@@ -7,6 +7,7 @@
 
 #include <IMP/atom/protein_ligand_score.h>
 #include <IMP/atom/pdb.h>
+#include <IMP/atom/mmcif.h>
 #include <IMP/atom/mol2.h>
 #include <IMP/core/GridClosePairsFinder.h>
 #include <IMP/particle_index.h>
@@ -37,7 +38,7 @@ namespace {
 int main(int argc, char *argv[]) {
   IMP::Strings args = IMP::setup_from_argv(argc, argv,
                               "Score a protein-ligand complex",
-                              "file.mol2 file.pdb [libfile]", -1);
+                              "file.mol2 file.(pdb|cif) [libfile]", -1);
 
   IMP::set_log_level(IMP::SILENT);
   std::string mol2name, pdbname;
@@ -45,14 +46,15 @@ int main(int argc, char *argv[]) {
     std::string nm(args[i]);
     if (nm.rfind(".mol2") == nm.size() - 5) {
       mol2name = nm;
-    } else if (nm.rfind(".pdb") == nm.size() - 4) {
+    } else if (nm.rfind(".pdb") == nm.size() - 4
+               ||  nm.rfind(".cif") == nm.size() - 4) {
       pdbname = nm;
     } else {
       break;
     }
   }
   if (mol2name.empty() || pdbname.empty()) {
-    std::cerr << "Usage: " << argv[0] << " file.mol2 file.pdb [libfile]"
+    std::cerr << "Usage: " << argv[0] << " file.mol2 file.(pdb|cif) [libfile]"
               << std::endl;
     return EXIT_FAILURE;
   }
@@ -77,7 +79,8 @@ int main(int argc, char *argv[]) {
   IMP::atom::Hierarchy p, l;
   {
     IMP::SetLogState ss(IMP::SILENT);
-    p = IMP::atom::read_pdb(pdbname, m, new IMP::atom::ATOMPDBSelector());
+    p = IMP::atom::read_pdb_or_mmcif(
+                         pdbname, m, new IMP::atom::ATOMPDBSelector());
     IMP::atom::add_protein_ligand_score_data(p);
     l = IMP::atom::read_mol2(mol2name, m);
     IMP::atom::add_protein_ligand_score_data(l);
diff --git a/modules/atom/bin/ligand_score_multiple.cpp b/modules/atom/bin/ligand_score_multiple.cpp
index cd3d826437..e585bc5eed 100644
--- a/modules/atom/bin/ligand_score_multiple.cpp
+++ b/modules/atom/bin/ligand_score_multiple.cpp
@@ -7,6 +7,7 @@
 
 #include <IMP/atom/protein_ligand_score.h>
 #include <IMP/atom/pdb.h>
+#include <IMP/atom/mmcif.h>
 #include <IMP/atom/mol2.h>
 #include <IMP/core/GridClosePairsFinder.h>
 #include <IMP/particle_index.h>
@@ -53,12 +54,12 @@ int main(int argc, char *argv[]) {
   IMP::set_log_level(IMP::SILENT);
   std::string mol2name, pdbname, trans_file, out_file_name;
 
-  po::options_description desc("Usage: <pdb> <mol2> [trans file]");
+  po::options_description desc("Usage: <pdb|mmcif> <mol2> [trans file]");
   desc.add_options()
     ("help", "static and transformed molecules from docking with \
 transformation file.")
     ("input-files", po::value< std::vector<std::string> >(),
-     "input PDB, mol2, and transformation files")
+     "input PDB/mmCIF, mol2, and transformation files")
     ("output_file,o",
      po::value<std::string>(&out_file_name)->default_value("mol2_score.res"),
      "output file name, default name mol2_score.res");
@@ -94,7 +95,8 @@ transformation file.")
   IMP::atom::Hierarchy protein, ligand;
   {
     IMP::SetLogState ss(IMP::SILENT);
-    protein = IMP::atom::read_pdb(pdbname, m, new IMP::atom::ATOMPDBSelector());
+    protein = IMP::atom::read_pdb_or_mmcif(
+                        pdbname, m, new IMP::atom::ATOMPDBSelector());
     IMP::atom::add_protein_ligand_score_data(protein);
     ligand = IMP::atom::read_mol2(mol2name, m);
     IMP::atom::add_protein_ligand_score_data(ligand);
diff --git a/modules/atom/test/input/1d3d-protein.cif b/modules/atom/test/input/1d3d-protein.cif
new file mode 100644
index 0000000000..22d7facd2e
--- /dev/null
+++ b/modules/atom/test/input/1d3d-protein.cif
@@ -0,0 +1,2669 @@
+data_model
+#
+loop_
+_struct_asym.id
+_struct_asym.entity_id
+_struct_asym.details
+. 1 ?
+#
+loop_
+_entity_poly_seq.entity_id
+_entity_poly_seq.num
+_entity_poly_seq.mon_id
+1 1 GLU
+1 2 ALA
+1 3 ASP
+1 4 CYS
+1 5 GLY
+1 6 LEU
+1 7 ARG
+1 8 PRO
+1 9 LEU
+1 10 PHE
+1 11 GLU
+1 12 LYS
+1 13 LYS
+1 14 SER
+1 15 LEU
+1 16 GLU
+1 17 ASP
+1 18 LYS
+1 19 THR
+1 20 GLU
+1 21 ARG
+1 22 GLU
+1 23 LEU
+1 24 LEU
+1 25 GLU
+1 26 SER
+1 27 TYR
+1 28 ILE
+1 29 ILE
+1 30 VAL
+1 31 GLU
+1 32 GLY
+1 33 SER
+1 34 ASP
+1 35 ALA
+1 36 GLU
+1 37 ILE
+1 38 GLY
+1 39 MET
+1 40 SER
+1 41 PRO
+1 42 TRP
+1 43 GLN
+1 44 VAL
+1 45 MET
+1 46 LEU
+1 47 PHE
+1 48 ARG
+1 49 LYS
+1 50 SER
+1 51 PRO
+1 52 GLN
+1 53 GLU
+1 54 LEU
+1 55 LEU
+1 56 CYS
+1 57 GLY
+1 58 ALA
+1 59 SER
+1 60 LEU
+1 61 ILE
+1 62 SER
+1 63 ASP
+1 64 ARG
+1 65 TRP
+1 66 VAL
+1 67 LEU
+1 68 THR
+1 69 ALA
+1 70 ALA
+1 71 HIS
+1 72 CYS
+1 73 LEU
+1 74 LEU
+1 75 TYR
+1 76 PRO
+1 77 PRO
+1 78 TRP
+1 79 ASP
+1 80 LYS
+1 81 ASN
+1 82 PHE
+1 83 THR
+1 84 GLU
+1 85 ASN
+1 86 ASP
+1 87 LEU
+1 88 LEU
+1 89 VAL
+1 90 ARG
+1 91 ILE
+1 92 GLY
+1 93 LYS
+1 94 HIS
+1 95 SER
+1 96 ARG
+1 97 THR
+1 98 ARG
+1 99 TYR
+1 100 GLU
+1 101 ARG
+1 102 ASN
+1 103 ILE
+1 104 GLU
+1 105 LYS
+1 106 ILE
+1 107 SER
+1 108 MET
+1 109 LEU
+1 110 GLU
+1 111 LYS
+1 112 ILE
+1 113 TYR
+1 114 ILE
+1 115 HIS
+1 116 PRO
+1 117 ARG
+1 118 TYR
+1 119 ASN
+1 120 TRP
+1 121 ARG
+1 122 GLU
+1 123 ASN
+1 124 LEU
+1 125 ASP
+1 126 ARG
+1 127 ASP
+1 128 ILE
+1 129 ALA
+1 130 LEU
+1 131 MET
+1 132 LYS
+1 133 LEU
+1 134 LYS
+1 135 LYS
+1 136 PRO
+1 137 VAL
+1 138 ALA
+1 139 PHE
+1 140 SER
+1 141 ASP
+1 142 TYR
+1 143 ILE
+1 144 HIS
+1 145 PRO
+1 146 VAL
+1 147 CYS
+1 148 LEU
+1 149 PRO
+1 150 ASP
+1 151 ARG
+1 152 GLU
+1 153 THR
+1 154 ALA
+1 155 ALA
+1 156 SER
+1 157 LEU
+1 158 LEU
+1 159 GLN
+1 160 ALA
+1 161 GLY
+1 162 TYR
+1 163 LYS
+1 164 GLY
+1 165 ARG
+1 166 VAL
+1 167 THR
+1 168 GLY
+1 169 TRP
+1 170 GLY
+1 171 ASN
+1 172 LEU
+1 173 LYS
+1 174 GLU
+1 175 THR
+1 176 GLY
+1 177 GLN
+1 178 PRO
+1 179 SER
+1 180 VAL
+1 181 LEU
+1 182 GLN
+1 183 VAL
+1 184 VAL
+1 185 ASN
+1 186 LEU
+1 187 PRO
+1 188 ILE
+1 189 VAL
+1 190 GLU
+1 191 ARG
+1 192 PRO
+1 193 VAL
+1 194 CYS
+1 195 LYS
+1 196 ASP
+1 197 SER
+1 198 THR
+1 199 ARG
+1 200 ILE
+1 201 ARG
+1 202 ILE
+1 203 THR
+1 204 ASP
+1 205 ASN
+1 206 MET
+1 207 PHE
+1 208 CYS
+1 209 ALA
+1 210 GLY
+1 211 TYR
+1 212 LYS
+1 213 PRO
+1 214 ASP
+1 215 GLU
+1 216 GLY
+1 217 LYS
+1 218 ARG
+1 219 GLY
+1 220 ASP
+1 221 ALA
+1 222 CYS
+1 223 GLU
+1 224 GLY
+1 225 ASP
+1 226 SER
+1 227 GLY
+1 228 GLY
+1 229 PRO
+1 230 PHE
+1 231 VAL
+1 232 MET
+1 233 LYS
+1 234 SER
+1 235 PRO
+1 236 PHE
+1 237 ASN
+1 238 ASN
+1 239 ARG
+1 240 TRP
+1 241 TYR
+1 242 GLN
+1 243 MET
+1 244 GLY
+1 245 ILE
+1 246 VAL
+1 247 SER
+1 248 TRP
+1 249 GLY
+1 250 GLU
+1 251 GLY
+1 252 CYS
+1 253 ASP
+1 254 ARG
+1 255 ASP
+1 256 GLY
+1 257 LYS
+1 258 TYR
+1 259 GLY
+1 260 PHE
+1 261 TYR
+1 262 THR
+1 263 HIS
+1 264 VAL
+1 265 PHE
+1 266 ARG
+1 267 LEU
+1 268 LYS
+1 269 LYS
+1 270 TRP
+1 271 ILE
+1 272 GLN
+1 273 LYS
+1 274 VAL
+1 275 ILE
+1 276 ASP
+1 277 GLN
+1 278 PHE
+1 279 GLY
+1 280 ASP
+1 281 PHE
+1 282 GLU
+1 283 GLU
+1 284 ILE
+1 285 PRO
+1 286 GLU
+1 287 GLU
+1 288 LEU
+1 289 GLN
+#
+loop_
+_atom_site.group_PDB
+_atom_site.type_symbol
+_atom_site.label_atom_id
+_atom_site.label_alt_id
+_atom_site.label_comp_id
+_atom_site.label_asym_id
+_atom_site.auth_asym_id
+_atom_site.label_seq_id
+_atom_site.auth_seq_id
+_atom_site.pdbx_PDB_ins_code
+_atom_site.Cartn_x
+_atom_site.Cartn_y
+_atom_site.Cartn_z
+_atom_site.occupancy
+_atom_site.B_iso_or_equiv
+_atom_site.label_entity_id
+_atom_site.id
+_atom_site.pdbx_PDB_model_num
+ATOM ? N . GLU . . 1 6 ? -19.702 -3.712 19.935 1.000 50.540 1 1 1
+ATOM ? CA . GLU . . 1 6 ? -20.458 -2.849 18.977 1.000 49.820 1 2 1
+ATOM ? C . GLU . . 1 6 ? -21.416 -1.923 19.718 1.000 47.600 1 3 1
+ATOM ? O . GLU . . 1 6 ? -21.995 -2.297 20.741 1.000 47.390 1 4 1
+ATOM ? CB . GLU . . 1 6 ? -21.239 -3.720 17.987 1.000 52.420 1 5 1
+ATOM ? CG . GLU . . 1 6 ? -20.379 -4.305 16.873 1.000 55.290 1 6 1
+ATOM ? CD . GLU . . 1 6 ? -20.233 -3.362 15.694 1.000 58.550 1 7 1
+ATOM ? OE1 . GLU . . 1 6 ? -20.850 -2.275 15.730 1.000 60.690 1 8 1
+ATOM ? OE2 . GLU . . 1 6 ? -19.504 -3.704 14.733 1.000 58.050 1 9 1
+ATOM ? N . ALA . . 2 7 ? -21.576 -0.713 19.191 1.000 45.060 1 10 1
+ATOM ? CA . ALA . . 2 7 ? -22.449 0.289 19.794 1.000 40.730 1 11 1
+ATOM ? C . ALA . . 2 7 ? -23.838 -0.250 20.121 1.000 37.860 1 12 1
+ATOM ? O . ALA . . 2 7 ? -24.295 -0.142 21.261 1.000 38.350 1 13 1
+ATOM ? CB . ALA . . 2 7 ? -22.563 1.499 18.876 1.000 41.300 1 14 1
+ATOM ? N . ASP . . 3 8 ? -24.517 -0.824 19.132 1.000 33.840 1 15 1
+ATOM ? CA . ASP . . 3 8 ? -25.852 -1.360 19.385 1.000 31.150 1 16 1
+ATOM ? C . ASP . . 3 8 ? -25.891 -2.891 19.422 1.000 26.170 1 17 1
+ATOM ? O . ASP . . 3 8 ? -26.895 -3.502 19.050 1.000 22.020 1 18 1
+ATOM ? CB . ASP . . 3 8 ? -26.859 -0.830 18.351 1.000 35.960 1 19 1
+ATOM ? CG . ASP . . 3 8 ? -26.454 -1.144 16.928 1.000 40.200 1 20 1
+ATOM ? OD1 . ASP . . 3 8 ? -25.272 -1.491 16.703 1.000 42.360 1 21 1
+ATOM ? OD2 . ASP . . 3 8 ? -27.322 -1.043 16.034 1.000 42.570 1 22 1
+ATOM ? N . CYS . . 4 9 ? -24.801 -3.504 19.882 1.000 19.250 1 23 1
+ATOM ? CA . CYS . . 4 9 ? -24.744 -4.953 19.981 1.000 15.380 1 24 1
+ATOM ? C . CYS . . 4 9 ? -25.881 -5.465 20.859 1.000 12.640 1 25 1
+ATOM ? O . CYS . . 4 9 ? -26.332 -4.779 21.781 1.000 10.570 1 26 1
+ATOM ? CB . CYS . . 4 9 ? -23.390 -5.403 20.577 1.000 16.840 1 27 1
+ATOM ? SG . CYS . . 4 9 ? -23.138 -4.986 22.338 1.000 15.120 1 28 1
+ATOM ? N . GLY . . 5 10 ? -26.372 -6.663 20.556 1.000 13.330 1 29 1
+ATOM ? CA . GLY . . 5 10 ? -27.407 -7.254 21.384 1.000 9.690 1 30 1
+ATOM ? C . GLY . . 5 10 ? -28.805 -6.685 21.348 1.000 10.280 1 31 1
+ATOM ? O . GLY . . 5 10 ? -29.646 -7.123 22.121 1.000 12.710 1 32 1
+ATOM ? N . LEU . . 6 11 ? -29.065 -5.711 20.479 1.000 13.490 1 33 1
+ATOM ? CA . LEU . . 6 11 ? -30.411 -5.142 20.356 1.000 13.530 1 34 1
+ATOM ? C . LEU . . 6 11 ? -30.905 -5.595 18.983 1.000 14.440 1 35 1
+ATOM ? O . LEU . . 6 11 ? -30.380 -5.177 17.957 1.000 15.850 1 36 1
+ATOM ? CB . LEU . . 6 11 ? -30.366 -3.613 20.439 1.000 16.460 1 37 1
+ATOM ? CG . LEU . . 6 11 ? -29.825 -3.050 21.758 1.000 18.520 1 38 1
+ATOM ? CD1 . LEU . . 6 11 ? -29.599 -1.541 21.607 1.000 22.430 1 39 1
+ATOM ? CD2 . LEU . . 6 11 ? -30.805 -3.346 22.905 1.000 14.970 1 40 1
+ATOM ? N . ARG . . 7 12 ? -31.899 -6.472 18.971 1.000 13.510 1 41 1
+ATOM ? CA . ARG . . 7 12 ? -32.402 -7.019 17.715 1.000 14.070 1 42 1
+ATOM ? C . ARG . . 7 12 ? -33.348 -6.100 16.928 1.000 13.160 1 43 1
+ATOM ? O . ARG . . 7 12 ? -34.334 -5.605 17.455 1.000 13.110 1 44 1
+ATOM ? CB . ARG . . 7 12 ? -33.102 -8.357 17.976 1.000 12.000 1 45 1
+ATOM ? CG . ARG . . 7 12 ? -32.192 -9.412 18.662 1.000 9.370 1 46 1
+ATOM ? CD . ARG . . 7 12 ? -33.049 -10.557 19.160 1.000 8.710 1 47 1
+ATOM ? NE . ARG . . 7 12 ? -33.994 -10.149 20.199 1.000 11.010 1 48 1
+ATOM ? CZ . ARG . . 7 12 ? -34.871 -10.977 20.754 1.000 12.600 1 49 1
+ATOM ? NH1 . ARG . . 7 12 ? -34.915 -12.251 20.367 1.000 18.040 1 50 1
+ATOM ? NH2 . ARG . . 7 12 ? -35.681 -10.555 21.707 1.000 10.100 1 51 1
+ATOM ? N . PRO . . 8 13 ? -33.051 -5.894 15.643 1.000 13.790 1 52 1
+ATOM ? CA . PRO . . 8 13 ? -33.865 -5.043 14.767 1.000 15.870 1 53 1
+ATOM ? C . PRO . . 8 13 ? -35.354 -5.350 14.860 1.000 17.020 1 54 1
+ATOM ? O . PRO . . 8 13 ? -36.167 -4.434 15.005 1.000 17.870 1 55 1
+ATOM ? CB . PRO . . 8 13 ? -33.301 -5.320 13.378 1.000 16.650 1 56 1
+ATOM ? CG . PRO . . 8 13 ? -31.876 -5.668 13.634 1.000 17.570 1 57 1
+ATOM ? CD . PRO . . 8 13 ? -31.886 -6.449 14.934 1.000 13.710 1 58 1
+ATOM ? N . LEU . . 9 14 ? -35.719 -6.630 14.818 1.000 15.800 1 59 1
+ATOM ? CA . LEU . . 9 14 ? -37.133 -6.997 14.867 1.000 15.540 1 60 1
+ATOM ? C . LEU . . 9 14 ? -37.752 -7.158 16.242 1.000 16.290 1 61 1
+ATOM ? O . LEU . . 9 14 ? -38.950 -7.433 16.354 1.000 15.930 1 62 1
+ATOM ? CB . LEU . . 9 14 ? -37.375 -8.282 14.058 1.000 16.620 1 63 1
+ATOM ? CG . LEU . . 9 14 ? -36.953 -8.215 12.593 1.000 18.850 1 64 1
+ATOM ? CD1 . LEU . . 9 14 ? -37.274 -9.544 11.894 1.000 20.170 1 65 1
+ATOM ? CD2 . LEU . . 9 14 ? -37.678 -7.062 11.920 1.000 21.990 1 66 1
+ATOM ? N . PHE . . 10 15 ? -36.964 -6.991 17.295 1.000 15.390 1 67 1
+ATOM ? CA . PHE . . 10 15 ? -37.519 -7.143 18.626 1.000 15.150 1 68 1
+ATOM ? C . PHE . . 10 15 ? -37.253 -5.946 19.540 1.000 18.120 1 69 1
+ATOM ? O . PHE . . 10 15 ? -38.099 -5.051 19.646 1.000 19.440 1 70 1
+ATOM ? CB . PHE . . 10 15 ? -37.011 -8.462 19.228 1.000 15.670 1 71 1
+ATOM ? CG . PHE . . 10 15 ? -37.618 -9.678 18.573 1.000 16.120 1 72 1
+ATOM ? CD1 . PHE . . 10 15 ? -36.982 -10.302 17.505 1.000 14.780 1 73 1
+ATOM ? CD2 . PHE . . 10 15 ? -38.867 -10.142 18.969 1.000 13.400 1 74 1
+ATOM ? CE1 . PHE . . 10 15 ? -37.589 -11.370 16.834 1.000 15.380 1 75 1
+ATOM ? CE2 . PHE . . 10 15 ? -39.482 -11.205 18.308 1.000 15.000 1 76 1
+ATOM ? CZ . PHE . . 10 15 ? -38.838 -11.818 17.236 1.000 13.420 1 77 1
+ATOM ? N . GLU . . 11 16 ? -36.086 -5.899 20.180 1.000 16.370 1 78 1
+ATOM ? CA . GLU . . 11 16 ? -35.776 -4.788 21.080 1.000 16.760 1 79 1
+ATOM ? C . GLU . . 11 16 ? -35.949 -3.407 20.432 1.000 17.600 1 80 1
+ATOM ? O . GLU . . 11 16 ? -36.508 -2.494 21.045 1.000 16.750 1 81 1
+ATOM ? CB . GLU . . 11 16 ? -34.343 -4.919 21.618 1.000 16.130 1 82 1
+ATOM ? CG . GLU . . 11 16 ? -34.216 -5.962 22.766 1.000 13.570 1 83 1
+ATOM ? CD . GLU . . 11 16 ? -34.169 -7.394 22.234 1.000 10.060 1 84 1
+ATOM ? OE1 . GLU . . 11 16 ? -34.525 -8.339 22.976 1.000 15.180 1 85 1
+ATOM ? OE2 . GLU . . 11 16 ? -33.773 -7.566 21.068 1.000 12.390 1 86 1
+ATOM ? N . LYS . . 12 17 ? -35.470 -3.259 19.202 1.000 16.470 1 87 1
+ATOM ? CA . LYS . . 12 17 ? -35.556 -1.980 18.503 1.000 19.460 1 88 1
+ATOM ? C . LYS . . 12 17 ? -36.969 -1.500 18.224 1.000 19.600 1 89 1
+ATOM ? O . LYS . . 12 17 ? -37.185 -0.307 18.068 1.000 21.940 1 90 1
+ATOM ? CB . LYS . . 12 17 ? -34.776 -2.044 17.201 1.000 19.450 1 91 1
+ATOM ? CG . LYS . . 12 17 ? -33.387 -2.622 17.378 1.000 30.290 1 92 1
+ATOM ? CD . LYS . . 12 17 ? -32.311 -1.570 17.223 1.000 32.180 1 93 1
+ATOM ? CE . LYS . . 12 17 ? -31.161 -2.111 16.394 1.000 34.960 1 94 1
+ATOM ? NZ . LYS . . 12 17 ? -30.106 -1.082 16.190 1.000 39.720 1 95 1
+ATOM ? N . LYS . . 13 18 ? -37.925 -2.424 18.178 1.000 17.210 1 96 1
+ATOM ? CA . LYS . . 13 18 ? -39.329 -2.098 17.910 1.000 20.800 1 97 1
+ATOM ? C . LYS . . 13 18 ? -40.132 -2.241 19.188 1.000 19.890 1 98 1
+ATOM ? O . LYS . . 13 18 ? -41.348 -2.014 19.212 1.000 21.110 1 99 1
+ATOM ? CB . LYS . . 13 18 ? -39.920 -3.074 16.884 1.000 19.930 1 100 1
+ATOM ? CG . LYS . . 13 18 ? -39.496 -2.875 15.442 1.000 24.950 1 101 1
+ATOM ? CD . LYS . . 13 18 ? -40.345 -3.795 14.556 1.000 29.130 1 102 1
+ATOM ? CE . LYS . . 13 18 ? -40.163 -3.509 13.074 1.000 32.660 1 103 1
+ATOM ? NZ . LYS . . 13 18 ? -41.003 -4.436 12.250 1.000 36.210 1 104 1
+ATOM ? N . SER . . 14 19 ? -39.440 -2.637 20.247 1.000 19.540 1 105 1
+ATOM ? CA . SER . . 14 19 ? -40.054 -2.857 21.543 1.000 19.420 1 106 1
+ATOM ? C . SER . . 14 19 ? -41.070 -3.995 21.494 1.000 20.130 1 107 1
+ATOM ? O . SER . . 14 19 ? -42.159 -3.905 22.065 1.000 20.370 1 108 1
+ATOM ? CB . SER . . 14 19 ? -40.711 -1.577 22.069 1.000 22.940 1 109 1
+ATOM ? OG . SER . . 14 19 ? -41.159 -1.775 23.400 1.000 24.960 1 110 1
+ATOM ? N . LEU . . 15 20 ? -40.706 -5.067 20.791 1.000 17.100 1 111 1
+ATOM ? CA . LEU . . 15 20 ? -41.546 -6.262 20.697 1.000 18.200 1 112 1
+ATOM ? C . LEU . . 15 20 ? -40.753 -7.379 21.392 1.000 17.220 1 113 1
+ATOM ? O . LEU . . 15 20 ? -39.530 -7.409 21.311 1.000 14.970 1 114 1
+ATOM ? CB . LEU . . 15 20 ? -41.785 -6.646 19.233 1.000 17.660 1 115 1
+ATOM ? CG . LEU . . 15 20 ? -42.725 -5.764 18.401 1.000 20.670 1 116 1
+ATOM ? CD1 . LEU . . 15 20 ? -42.666 -6.212 16.954 1.000 22.780 1 117 1
+ATOM ? CD2 . LEU . . 15 20 ? -44.159 -5.863 18.930 1.000 20.660 1 118 1
+ATOM ? N . GLU . . 16 21 ? -41.441 -8.279 22.079 1.000 19.400 1 119 1
+ATOM ? CA . GLU . . 16 21 ? -40.759 -9.369 22.771 1.000 22.840 1 120 1
+ATOM ? C . GLU . . 16 21 ? -40.941 -10.683 22.032 1.000 22.470 1 121 1
+ATOM ? O . GLU . . 16 21 ? -41.996 -10.898 21.426 1.000 21.340 1 122 1
+ATOM ? CB . GLU . . 16 21 ? -41.333 -9.544 24.166 1.000 23.820 1 123 1
+ATOM ? CG . GLU . . 16 21 ? -41.285 -8.317 25.033 1.000 32.870 1 124 1
+ATOM ? CD . GLU . . 16 21 ? -41.784 -8.609 26.434 1.000 37.360 1 125 1
+ATOM ? OE1 . GLU . . 16 21 ? -42.303 -9.727 26.662 1.000 39.740 1 126 1
+ATOM ? OE2 . GLU . . 16 21 ? -41.656 -7.725 27.306 1.000 42.180 1 127 1
+ATOM ? N . ASP . . 17 22 ? -39.938 -11.566 22.081 1.000 20.180 1 128 1
+ATOM ? CA . ASP . . 17 22 ? -40.109 -12.853 21.427 1.000 18.780 1 129 1
+ATOM ? C . ASP . . 17 22 ? -40.920 -13.770 22.336 1.000 18.010 1 130 1
+ATOM ? O . ASP . . 17 22 ? -41.173 -13.455 23.503 1.000 16.710 1 131 1
+ATOM ? CB . ASP . . 17 22 ? -38.763 -13.471 20.973 1.000 16.570 1 132 1
+ATOM ? CG . ASP . . 17 22 ? -37.892 -13.966 22.119 1.000 14.770 1 133 1
+ATOM ? OD1 . ASP . . 17 22 ? -36.679 -13.671 22.090 1.000 16.570 1 134 1
+ATOM ? OD2 . ASP . . 17 22 ? -38.398 -14.660 23.020 1.000 15.690 1 135 1
+ATOM ? N . LYS . . 18 23 ? -41.370 -14.878 21.765 1.000 20.040 1 136 1
+ATOM ? CA . LYS . . 18 23 ? -42.219 -15.859 22.431 1.000 21.890 1 137 1
+ATOM ? C . LYS . . 18 23 ? -41.793 -16.421 23.788 1.000 21.910 1 138 1
+ATOM ? O . LYS . . 18 23 ? -42.637 -16.722 24.621 1.000 20.970 1 139 1
+ATOM ? CB . LYS . . 18 23 ? -42.457 -17.022 21.462 1.000 27.930 1 140 1
+ATOM ? CG . LYS . . 18 23 ? -43.823 -17.660 21.561 1.000 34.960 1 141 1
+ATOM ? CD . LYS . . 18 23 ? -43.864 -18.973 20.774 1.000 40.820 1 142 1
+ATOM ? CE . LYS . . 18 23 ? -43.754 -20.200 21.685 1.000 41.060 1 143 1
+ATOM ? NZ . LYS . . 18 23 ? -44.451 -20.021 22.999 1.000 44.890 1 144 1
+ATOM ? N . THR . . 19 24 ? -40.497 -16.573 24.026 1.000 19.880 1 145 1
+ATOM ? CA . THR . . 19 24 ? -40.087 -17.155 25.297 1.000 19.470 1 146 1
+ATOM ? C . THR . . 19 24 ? -39.081 -16.369 26.126 1.000 20.920 1 147 1
+ATOM ? O . THR . . 19 24 ? -38.600 -16.885 27.140 1.000 22.100 1 148 1
+ATOM ? CB . THR . . 19 24 ? -39.505 -18.569 25.082 1.000 16.900 1 149 1
+ATOM ? OG1 . THR . . 19 24 ? -38.335 -18.481 24.263 1.000 14.030 1 150 1
+ATOM ? CG2 . THR . . 19 24 ? -40.526 -19.475 24.393 1.000 17.500 1 151 1
+ATOM ? N . GLU . . 20 25 ? -38.758 -15.138 25.736 1.000 18.390 1 152 1
+ATOM ? CA . GLU . . 20 25 ? -37.771 -14.401 26.516 1.000 19.760 1 153 1
+ATOM ? C . GLU . . 20 25 ? -38.223 -14.125 27.944 1.000 21.050 1 154 1
+ATOM ? O . GLU . . 20 25 ? -37.394 -13.979 28.836 1.000 21.080 1 155 1
+ATOM ? CB . GLU . . 20 25 ? -37.351 -13.113 25.811 1.000 16.800 1 156 1
+ATOM ? CG . GLU . . 20 25 ? -38.428 -12.055 25.663 1.000 19.030 1 157 1
+ATOM ? CD . GLU . . 20 25 ? -37.872 -10.810 25.021 1.000 19.980 1 158 1
+ATOM ? OE1 . GLU . . 20 25 ? -37.779 -10.775 23.778 1.000 20.400 1 159 1
+ATOM ? OE2 . GLU . . 20 25 ? -37.506 -9.876 25.760 1.000 23.090 1 160 1
+ATOM ? N . ARG . . 21 26 ? -39.531 -14.084 28.172 1.000 22.610 1 161 1
+ATOM ? CA . ARG . . 21 26 ? -40.048 -13.864 29.516 1.000 27.380 1 162 1
+ATOM ? C . ARG . . 21 26 ? -39.569 -14.972 30.463 1.000 26.750 1 163 1
+ATOM ? O . ARG . . 21 26 ? -39.404 -14.749 31.663 1.000 26.310 1 164 1
+ATOM ? CB . ARG . . 21 26 ? -41.573 -13.851 29.505 1.000 33.430 1 165 1
+ATOM ? CG . ARG . . 21 26 ? -42.174 -12.784 30.393 1.000 42.480 1 166 1
+ATOM ? CD . ARG . . 21 26 ? -42.165 -11.441 29.682 1.000 50.360 1 167 1
+ATOM ? NE . ARG . . 21 26 ? -42.255 -10.333 30.627 1.000 58.670 1 168 1
+ATOM ? CZ . ARG . . 21 26 ? -43.315 -10.093 31.392 1.000 62.300 1 169 1
+ATOM ? NH1 . ARG . . 21 26 ? -43.314 -9.060 32.227 1.000 64.150 1 170 1
+ATOM ? NH2 . ARG . . 21 26 ? -44.379 -10.887 31.323 1.000 64.080 1 171 1
+ATOM ? N . GLU . . 22 27 ? -39.364 -16.168 29.914 1.000 24.740 1 172 1
+ATOM ? CA . GLU . . 22 27 ? -38.894 -17.314 30.695 1.000 23.630 1 173 1
+ATOM ? C . GLU . . 22 27 ? -37.510 -17.024 31.281 1.000 21.860 1 174 1
+ATOM ? O . GLU . . 22 27 ? -37.235 -17.356 32.432 1.000 22.750 1 175 1
+ATOM ? CB . GLU . . 22 27 ? -38.819 -18.569 29.815 1.000 24.670 1 176 1
+ATOM ? CG . GLU . . 22 27 ? -38.690 -19.880 30.588 1.000 29.730 1 177 1
+ATOM ? CD . GLU . . 22 27 ? -38.361 -21.077 29.690 1.000 33.530 1 178 1
+ATOM ? OE1 . GLU . . 22 27 ? -37.907 -22.119 30.219 1.000 33.750 1 179 1
+ATOM ? OE2 . GLU . . 22 27 ? -38.550 -20.977 28.456 1.000 32.500 1 180 1
+ATOM ? N . LEU . . 23 28 ? -36.636 -16.419 30.485 1.000 19.680 1 181 1
+ATOM ? CA . LEU . . 23 28 ? -35.292 -16.099 30.964 1.000 21.700 1 182 1
+ATOM ? C . LEU . . 23 28 ? -35.373 -15.050 32.063 1.000 21.680 1 183 1
+ATOM ? O . LEU . . 23 28 ? -34.892 -15.258 33.172 1.000 21.830 1 184 1
+ATOM ? CB . LEU . . 23 28 ? -34.424 -15.556 29.827 1.000 19.010 1 185 1
+ATOM ? CG . LEU . . 23 28 ? -34.394 -16.368 28.529 1.000 22.490 1 186 1
+ATOM ? CD1 . LEU . . 23 28 ? -33.374 -15.751 27.581 1.000 19.600 1 187 1
+ATOM ? CD2 . LEU . . 23 28 ? -34.057 -17.823 28.830 1.000 21.520 1 188 1
+ATOM ? N . LEU . . 24 29 ? -36.002 -13.925 31.743 1.000 22.120 1 189 1
+ATOM ? CA . LEU . . 24 29 ? -36.132 -12.827 32.685 1.000 23.130 1 190 1
+ATOM ? C . LEU . . 24 29 ? -36.752 -13.266 34.014 1.000 22.470 1 191 1
+ATOM ? O . LEU . . 24 29 ? -36.301 -12.851 35.076 1.000 24.610 1 192 1
+ATOM ? CB . LEU . . 24 29 ? -36.949 -11.688 32.051 1.000 24.590 1 193 1
+ATOM ? CG . LEU . . 24 29 ? -36.290 -10.821 30.948 1.000 28.940 1 194 1
+ATOM ? CD1 . LEU . . 24 29 ? -35.007 -10.175 31.453 1.000 30.970 1 195 1
+ATOM ? CD2 . LEU . . 24 29 ? -35.980 -11.664 29.717 1.000 31.260 1 196 1
+ATOM ? N . GLU . . 25 30 ? -37.773 -14.114 33.967 1.000 21.790 1 197 1
+ATOM ? CA . GLU . . 25 30 ? -38.404 -14.566 35.196 1.000 23.400 1 198 1
+ATOM ? C . GLU . . 25 30 ? -37.461 -15.439 36.029 1.000 24.550 1 199 1
+ATOM ? O . GLU . . 25 30 ? -37.668 -15.622 37.223 1.000 24.550 1 200 1
+ATOM ? CB . GLU . . 25 30 ? -39.694 -15.331 34.878 1.000 24.880 1 201 1
+ATOM ? CG . GLU . . 25 30 ? -40.792 -14.429 34.340 1.000 32.180 1 202 1
+ATOM ? CD . GLU . . 25 30 ? -42.072 -15.169 34.019 1.000 35.720 1 203 1
+ATOM ? OE1 . GLU . . 25 30 ? -43.131 -14.506 33.929 1.000 38.330 1 204 1
+ATOM ? OE2 . GLU . . 25 30 ? -42.025 -16.408 33.854 1.000 38.790 1 205 1
+ATOM ? N . SER . . 26 31 ? -36.420 -15.973 35.408 1.000 23.850 1 206 1
+ATOM ? CA . SER . . 26 31 ? -35.493 -16.816 36.152 1.000 24.480 1 207 1
+ATOM ? C . SER . . 26 31 ? -34.417 -16.000 36.868 1.000 25.820 1 208 1
+ATOM ? O . SER . . 26 31 ? -33.728 -16.516 37.744 1.000 27.020 1 209 1
+ATOM ? CB . SER . . 26 31 ? -34.845 -17.849 35.222 1.000 18.810 1 210 1
+ATOM ? OG . SER . . 26 31 ? -33.798 -17.285 34.453 1.000 18.620 1 211 1
+ATOM ? N . TYR . . 27 32 ? -34.277 -14.728 36.507 1.000 26.280 1 212 1
+ATOM ? CA . TYR . . 27 32 ? -33.264 -13.875 37.128 1.000 31.180 1 213 1
+ATOM ? C . TYR . . 27 32 ? -33.761 -13.212 38.411 1.000 35.660 1 214 1
+ATOM ? O . TYR . . 27 32 ? -34.221 -12.071 38.390 1.000 37.430 1 215 1
+ATOM ? CB . TYR . . 27 32 ? -32.808 -12.789 36.151 1.000 26.630 1 216 1
+ATOM ? CG . TYR . . 27 32 ? -32.383 -13.278 34.783 1.000 26.230 1 217 1
+ATOM ? CD1 . TYR . . 27 32 ? -31.828 -14.548 34.604 1.000 21.960 1 218 1
+ATOM ? CD2 . TYR . . 27 32 ? -32.525 -12.455 33.660 1.000 25.060 1 219 1
+ATOM ? CE1 . TYR . . 27 32 ? -31.424 -14.985 33.343 1.000 23.850 1 220 1
+ATOM ? CE2 . TYR . . 27 32 ? -32.124 -12.886 32.397 1.000 23.870 1 221 1
+ATOM ? CZ . TYR . . 27 32 ? -31.574 -14.150 32.243 1.000 23.970 1 222 1
+ATOM ? OH . TYR . . 27 32 ? -31.175 -14.572 30.986 1.000 21.670 1 223 1
+ATOM ? N . ILE . . 28 33 ? -33.653 -13.925 39.527 1.000 40.660 1 224 1
+ATOM ? CA . ILE . . 28 33 ? -34.098 -13.411 40.825 1.000 46.050 1 225 1
+ATOM ? C . ILE . . 28 33 ? -33.362 -12.148 41.274 1.000 49.540 1 226 1
+ATOM ? O . ILE . . 28 33 ? -32.232 -12.283 41.795 1.000 52.360 1 227 1
+ATOM ? CB . ILE . . 28 33 ? -33.914 -14.461 41.933 1.000 46.550 1 228 1
+ATOM ? CG1 . ILE . . 28 33 ? -34.614 -15.762 41.539 1.000 44.630 1 229 1
+ATOM ? CG2 . ILE . . 28 33 ? -34.456 -13.915 43.258 1.000 48.020 1 230 1
+ATOM ? CD1 . ILE . . 28 33 ? -36.095 -15.605 41.279 1.000 44.730 1 231 1
+ATOM ? N . ILE . . 29 37 ? -30.629 -29.248 18.131 1.000 16.380 1 232 1
+ATOM ? CA . ILE . . 29 37 ? -31.325 -28.991 19.416 1.000 15.100 1 233 1
+ATOM ? C . ILE . . 29 37 ? -32.392 -30.041 19.688 1.000 20.320 1 234 1
+ATOM ? O . ILE . . 29 37 ? -33.244 -30.324 18.838 1.000 19.780 1 235 1
+ATOM ? CB . ILE . . 29 37 ? -31.997 -27.596 19.426 1.000 14.670 1 236 1
+ATOM ? CG1 . ILE . . 29 37 ? -30.969 -26.525 19.048 1.000 17.860 1 237 1
+ATOM ? CG2 . ILE . . 29 37 ? -32.610 -27.315 20.799 1.000 16.390 1 238 1
+ATOM ? CD1 . ILE . . 29 37 ? -29.943 -26.221 20.142 1.000 18.190 1 239 1
+ATOM ? N . VAL . . 30 38 ? -32.338 -30.608 20.890 1.000 19.750 1 240 1
+ATOM ? CA . VAL . . 30 38 ? -33.272 -31.632 21.325 1.000 20.020 1 241 1
+ATOM ? C . VAL . . 30 38 ? -34.332 -31.012 22.226 1.000 21.270 1 242 1
+ATOM ? O . VAL . . 30 38 ? -34.017 -30.281 23.170 1.000 21.200 1 243 1
+ATOM ? CB . VAL . . 30 38 ? -32.518 -32.755 22.100 1.000 21.410 1 244 1
+ATOM ? CG1 . VAL . . 30 38 ? -33.492 -33.819 22.569 1.000 21.350 1 245 1
+ATOM ? CG2 . VAL . . 30 38 ? -31.433 -33.364 21.204 1.000 16.980 1 246 1
+ATOM ? N . GLU . . 31 39 ? -35.595 -31.286 21.912 1.000 23.020 1 247 1
+ATOM ? CA . GLU . . 31 39 ? -36.720 -30.780 22.682 1.000 24.500 1 248 1
+ATOM ? C . GLU . . 31 39 ? -36.871 -29.257 22.644 1.000 25.120 1 249 1
+ATOM ? O . GLU . . 31 39 ? -37.343 -28.653 23.607 1.000 23.470 1 250 1
+ATOM ? CB . GLU . . 31 39 ? -36.597 -31.252 24.131 1.000 29.900 1 251 1
+ATOM ? CG . GLU . . 31 39 ? -37.914 -31.356 24.861 1.000 38.770 1 252 1
+ATOM ? CD . GLU . . 31 39 ? -38.782 -32.491 24.342 1.000 41.560 1 253 1
+ATOM ? OE1 . GLU . . 31 39 ? -38.271 -33.361 23.602 1.000 43.860 1 254 1
+ATOM ? OE2 . GLU . . 31 39 ? -39.982 -32.508 24.679 1.000 46.420 1 255 1
+ATOM ? N . GLY . . 32 40 ? -36.471 -28.637 21.537 1.000 23.850 1 256 1
+ATOM ? CA . GLY . . 32 40 ? -36.604 -27.196 21.418 1.000 24.290 1 257 1
+ATOM ? C . GLY . . 32 40 ? -37.816 -26.829 20.579 1.000 26.720 1 258 1
+ATOM ? O . GLY . . 32 40 ? -38.741 -27.629 20.438 1.000 25.850 1 259 1
+ATOM ? N . SER . . 33 41 ? -37.833 -25.623 20.024 1.000 25.190 1 260 1
+ATOM ? CA . SER . . 33 41 ? -38.958 -25.215 19.183 1.000 26.230 1 261 1
+ATOM ? C . SER . . 33 41 ? -38.424 -24.334 18.074 1.000 24.700 1 262 1
+ATOM ? O . SER . . 33 41 ? -37.294 -23.842 18.155 1.000 23.640 1 263 1
+ATOM ? CB . SER . . 33 41 ? -40.017 -24.471 20.005 1.000 25.450 1 264 1
+ATOM ? OG . SER . . 33 41 ? -39.568 -23.170 20.345 1.000 34.230 1 265 1
+ATOM ? N . ASP . . 34 42 ? -39.220 -24.159 17.024 1.000 23.570 1 266 1
+ATOM ? CA . ASP . . 34 42 ? -38.802 -23.338 15.898 1.000 20.950 1 267 1
+ATOM ? C . ASP . . 34 42 ? -38.536 -21.935 16.399 1.000 19.430 1 268 1
+ATOM ? O . ASP . . 34 42 ? -39.302 -21.413 17.199 1.000 20.360 1 269 1
+ATOM ? CB . ASP . . 34 42 ? -39.905 -23.263 14.848 1.000 25.180 1 270 1
+ATOM ? CG . ASP . . 34 42 ? -40.149 -24.587 14.149 1.000 25.370 1 271 1
+ATOM ? OD1 . ASP . . 34 42 ? -39.454 -25.582 14.445 1.000 23.520 1 272 1
+ATOM ? OD2 . ASP . . 34 42 ? -41.046 -24.618 13.291 1.000 29.130 1 273 1
+ATOM ? N . ALA . . 35 43 ? -37.454 -21.328 15.932 1.000 19.990 1 274 1
+ATOM ? CA . ALA . . 35 43 ? -37.130 -19.959 16.313 1.000 19.950 1 275 1
+ATOM ? C . ALA . . 35 43 ? -38.036 -19.019 15.499 1.000 21.980 1 276 1
+ATOM ? O . ALA . . 35 43 ? -38.560 -19.412 14.454 1.000 21.950 1 277 1
+ATOM ? CB . ALA . . 35 43 ? -35.680 -19.668 15.984 1.000 16.920 1 278 1
+ATOM ? N . GLU . . 36 44 ? -38.237 -17.795 15.983 1.000 20.740 1 279 1
+ATOM ? CA . GLU . . 36 44 ? -39.029 -16.813 15.238 1.000 21.650 1 280 1
+ATOM ? C . GLU . . 36 44 ? -38.044 -16.160 14.269 1.000 18.660 1 281 1
+ATOM ? O . GLU . . 36 44 ? -36.832 -16.224 14.485 1.000 17.820 1 282 1
+ATOM ? CB . GLU . . 36 44 ? -39.613 -15.751 16.176 1.000 18.860 1 283 1
+ATOM ? CG . GLU . . 36 44 ? -40.761 -16.244 17.038 1.000 24.840 1 284 1
+ATOM ? CD . GLU . . 36 44 ? -41.070 -15.313 18.209 1.000 28.690 1 285 1
+ATOM ? OE1 . GLU . . 36 44 ? -41.778 -14.305 18.000 1.000 28.690 1 286 1
+ATOM ? OE2 . GLU . . 36 44 ? -40.607 -15.589 19.336 1.000 29.260 1 287 1
+ATOM ? N . ILE . . 37 45 ? -38.545 -15.548 13.199 1.000 17.580 1 288 1
+ATOM ? CA . ILE . . 37 45 ? -37.662 -14.885 12.239 1.000 18.070 1 289 1
+ATOM ? C . ILE . . 37 45 ? -36.945 -13.736 12.973 1.000 17.760 1 290 1
+ATOM ? O . ILE . . 37 45 ? -37.565 -13.021 13.748 1.000 19.980 1 291 1
+ATOM ? CB . ILE . . 37 45 ? -38.468 -14.275 11.053 1.000 18.660 1 292 1
+ATOM ? CG1 . ILE . . 37 45 ? -39.228 -15.378 10.304 1.000 20.320 1 293 1
+ATOM ? CG2 . ILE . . 37 45 ? -37.543 -13.504 10.126 1.000 18.520 1 294 1
+ATOM ? CD1 . ILE . . 37 45 ? -38.351 -16.331 9.575 1.000 21.150 1 295 1
+ATOM ? N . GLY . . 38 46 ? -35.651 -13.565 12.719 1.000 17.430 1 296 1
+ATOM ? CA . GLY . . 38 46 ? -34.902 -12.493 13.359 1.000 16.780 1 297 1
+ATOM ? C . GLY . . 38 46 ? -34.655 -12.645 14.856 1.000 16.540 1 298 1
+ATOM ? O . GLY . . 38 46 ? -34.107 -11.736 15.482 1.000 14.530 1 299 1
+ATOM ? N . MET . . 39 47 ? -35.045 -13.785 15.427 1.000 16.510 1 300 1
+ATOM ? CA . MET . . 39 47 ? -34.862 -14.058 16.860 1.000 16.910 1 301 1
+ATOM ? C . MET . . 39 47 ? -33.392 -14.135 17.337 1.000 14.450 1 302 1
+ATOM ? O . MET . . 39 47 ? -33.098 -13.802 18.485 1.000 15.310 1 303 1
+ATOM ? CB . MET . . 39 47 ? -35.568 -15.363 17.214 1.000 20.260 1 304 1
+ATOM ? CG . MET . . 39 47 ? -35.947 -15.520 18.660 1.000 23.220 1 305 1
+ATOM ? SD . MET . . 39 47 ? -36.457 -17.223 18.940 1.000 26.590 1 306 1
+ATOM ? CE . MET . . 39 47 ? -37.622 -17.041 20.261 1.000 23.850 1 307 1
+ATOM ? N . SER . . 40 48 ? -32.489 -14.609 16.479 1.000 13.990 1 308 1
+ATOM ? CA . SER . . 40 48 ? -31.061 -14.720 16.806 1.000 15.230 1 309 1
+ATOM ? C . SER . . 40 48 ? -30.286 -14.268 15.595 1.000 14.420 1 310 1
+ATOM ? O . SER . . 40 48 ? -29.646 -15.072 14.913 1.000 14.600 1 311 1
+ATOM ? CB . SER . . 40 48 ? -30.670 -16.168 17.133 1.000 18.770 1 312 1
+ATOM ? OG . SER . . 40 48 ? -31.487 -16.683 18.162 1.000 27.610 1 313 1
+ATOM ? N . PRO . . 41 49 ? -30.279 -12.952 15.343 1.000 15.610 1 314 1
+ATOM ? CA . PRO . . 41 49 ? -29.579 -12.406 14.184 1.000 12.520 1 315 1
+ATOM ? C . PRO . . 41 49 ? -28.066 -12.560 14.211 1.000 12.710 1 316 1
+ATOM ? O . PRO . . 41 49 ? -27.411 -12.279 13.221 1.000 11.110 1 317 1
+ATOM ? CB . PRO . . 41 49 ? -30.033 -10.944 14.157 1.000 14.020 1 318 1
+ATOM ? CG . PRO . . 41 49 ? -30.286 -10.635 15.609 1.000 12.130 1 319 1
+ATOM ? CD . PRO . . 41 49 ? -30.874 -11.891 16.184 1.000 11.830 1 320 1
+ATOM ? N . TRP . . 42 50 ? -27.518 -13.020 15.336 1.000 10.920 1 321 1
+ATOM ? CA . TRP . . 42 50 ? -26.070 -13.235 15.449 1.000 11.650 1 322 1
+ATOM ? C . TRP . . 42 50 ? -25.713 -14.692 15.132 1.000 12.940 1 323 1
+ATOM ? O . TRP . . 42 50 ? -24.533 -15.038 15.025 1.000 12.860 1 324 1
+ATOM ? CB . TRP . . 42 50 ? -25.576 -12.900 16.866 1.000 10.840 1 325 1
+ATOM ? CG . TRP . . 42 50 ? -26.561 -13.238 17.939 1.000 12.600 1 326 1
+ATOM ? CD1 . TRP . . 42 50 ? -26.767 -14.460 18.503 1.000 12.420 1 327 1
+ATOM ? CD2 . TRP . . 42 50 ? -27.499 -12.344 18.563 1.000 14.470 1 328 1
+ATOM ? NE1 . TRP . . 42 50 ? -27.773 -14.387 19.434 1.000 15.840 1 329 1
+ATOM ? CE2 . TRP . . 42 50 ? -28.240 -13.101 19.493 1.000 13.610 1 330 1
+ATOM ? CE3 . TRP . . 42 50 ? -27.782 -10.979 18.422 1.000 16.130 1 331 1
+ATOM ? CZ2 . TRP . . 42 50 ? -29.256 -12.537 20.289 1.000 14.360 1 332 1
+ATOM ? CZ3 . TRP . . 42 50 ? -28.788 -10.415 19.209 1.000 15.340 1 333 1
+ATOM ? CH2 . TRP . . 42 50 ? -29.513 -11.197 20.132 1.000 14.530 1 334 1
+ATOM ? N . GLN . . 43 51 ? -26.724 -15.544 14.981 1.000 13.790 1 335 1
+ATOM ? CA . GLN . . 43 51 ? -26.463 -16.951 14.690 1.000 12.530 1 336 1
+ATOM ? C . GLN . . 43 51 ? -25.773 -17.108 13.351 1.000 15.590 1 337 1
+ATOM ? O . GLN . . 43 51 ? -26.137 -16.475 12.355 1.000 14.370 1 338 1
+ATOM ? CB . GLN . . 43 51 ? -27.755 -17.778 14.721 1.000 12.530 1 339 1
+ATOM ? CG . GLN . . 43 51 ? -27.533 -19.276 14.466 1.000 13.400 1 340 1
+ATOM ? CD . GLN . . 43 51 ? -26.963 -20.014 15.673 1.000 16.240 1 341 1
+ATOM ? OE1 . GLN . . 43 51 ? -27.319 -19.726 16.812 1.000 19.620 1 342 1
+ATOM ? NE2 . GLN . . 43 51 ? -26.083 -20.970 15.422 1.000 17.850 1 343 1
+ATOM ? N . VAL . . 44 52 ? -24.750 -17.949 13.334 1.000 10.880 1 344 1
+ATOM ? CA . VAL . . 44 52 ? -23.981 -18.170 12.126 1.000 12.710 1 345 1
+ATOM ? C . VAL . . 44 52 ? -23.889 -19.662 11.872 1.000 16.510 1 346 1
+ATOM ? O . VAL . . 44 52 ? -23.867 -20.456 12.819 1.000 17.530 1 347 1
+ATOM ? CB . VAL . . 44 52 ? -22.554 -17.605 12.282 1.000 14.900 1 348 1
+ATOM ? CG1 . VAL . . 44 52 ? -21.693 -17.986 11.081 1.000 13.960 1 349 1
+ATOM ? CG2 . VAL . . 44 52 ? -22.617 -16.094 12.462 1.000 17.290 1 350 1
+ATOM ? N . MET . . 45 53 ? -23.855 -20.042 10.599 1.000 15.550 1 351 1
+ATOM ? CA . MET . . 45 53 ? -23.733 -21.438 10.234 1.000 15.520 1 352 1
+ATOM ? C . MET . . 45 53 ? -22.348 -21.654 9.657 1.000 16.960 1 353 1
+ATOM ? O . MET . . 45 53 ? -21.921 -20.914 8.762 1.000 15.540 1 354 1
+ATOM ? CB . MET . . 45 53 ? -24.786 -21.826 9.184 1.000 17.210 1 355 1
+ATOM ? CG . MET . . 45 53 ? -24.617 -23.246 8.635 1.000 19.550 1 356 1
+ATOM ? SD . MET . . 45 53 ? -25.858 -23.714 7.349 1.000 20.920 1 357 1
+ATOM ? CE . MET . . 45 53 ? -27.308 -23.816 8.292 1.000 12.220 1 358 1
+ATOM ? N . LEU . . 46 54 ? -21.639 -22.644 10.197 1.000 13.950 1 359 1
+ATOM ? CA . LEU . . 46 54 ? -20.314 -23.007 9.707 1.000 18.760 1 360 1
+ATOM ? C . LEU . . 46 54 ? -20.651 -24.078 8.668 1.000 20.460 1 361 1
+ATOM ? O . LEU . . 46 54 ? -21.189 -25.146 8.998 1.000 20.040 1 362 1
+ATOM ? CB . LEU . . 46 54 ? -19.460 -23.610 10.822 1.000 23.730 1 363 1
+ATOM ? CG . LEU . . 46 54 ? -18.659 -22.699 11.760 1.000 27.190 1 364 1
+ATOM ? CD1 . LEU . . 46 54 ? -17.258 -23.279 11.903 1.000 28.990 1 365 1
+ATOM ? CD2 . LEU . . 46 54 ? -18.587 -21.269 11.227 1.000 30.620 1 366 1
+ATOM ? N . PHE . . 47 55 ? -20.327 -23.779 7.419 1.000 22.520 1 367 1
+ATOM ? CA . PHE . . 47 55 ? -20.658 -24.646 6.299 1.000 24.500 1 368 1
+ATOM ? C . PHE . . 47 55 ? -19.440 -25.158 5.532 1.000 24.190 1 369 1
+ATOM ? O . PHE . . 47 55 ? -18.601 -24.374 5.092 1.000 24.720 1 370 1
+ATOM ? CB . PHE . . 47 55 ? -21.583 -23.851 5.363 1.000 25.140 1 371 1
+ATOM ? CG . PHE . . 47 55 ? -22.315 -24.692 4.362 1.000 26.250 1 372 1
+ATOM ? CD1 . PHE . . 47 55 ? -23.400 -25.468 4.748 1.000 26.050 1 373 1
+ATOM ? CD2 . PHE . . 47 55 ? -21.918 -24.705 3.030 1.000 27.550 1 374 1
+ATOM ? CE1 . PHE . . 47 55 ? -24.082 -26.246 3.821 1.000 27.790 1 375 1
+ATOM ? CE2 . PHE . . 47 55 ? -22.595 -25.481 2.093 1.000 27.260 1 376 1
+ATOM ? CZ . PHE . . 47 55 ? -23.678 -26.251 2.493 1.000 23.880 1 377 1
+ATOM ? N . ARG . . 48 56 ? -19.348 -26.475 5.364 1.000 27.530 1 378 1
+ATOM ? CA . ARG . . 48 56 ? -18.225 -27.069 4.639 1.000 27.820 1 379 1
+ATOM ? C . ARG . . 48 56 ? -18.392 -26.925 3.129 1.000 28.980 1 380 1
+ATOM ? O . ARG . . 48 56 ? -19.465 -27.190 2.594 1.000 29.650 1 381 1
+ATOM ? CB . ARG . . 48 56 ? -18.091 -28.551 4.986 1.000 30.620 1 382 1
+ATOM ? CG . ARG . . 48 56 ? -16.653 -29.005 5.101 1.000 33.890 1 383 1
+ATOM ? CD . ARG . . 48 56 ? -16.410 -30.245 4.295 1.000 37.040 1 384 1
+ATOM ? NE . ARG . . 48 56 ? -16.459 -31.434 5.133 1.000 39.030 1 385 1
+ATOM ? CZ . ARG . . 48 56 ? -15.464 -32.307 5.242 1.000 39.380 1 386 1
+ATOM ? NH1 . ARG . . 48 56 ? -14.338 -32.122 4.563 1.000 40.190 1 387 1
+ATOM ? NH2 . ARG . . 48 56 ? -15.598 -33.364 6.030 1.000 39.720 1 388 1
+ATOM ? N . LYS . . 49 57 ? -17.323 -26.521 2.449 1.000 30.590 1 389 1
+ATOM ? CA . LYS . . 49 57 ? -17.353 -26.329 1.003 1.000 36.380 1 390 1
+ATOM ? C . LYS . . 49 57 ? -17.679 -27.613 0.240 1.000 38.440 1 391 1
+ATOM ? O . LYS . . 49 57 ? -18.670 -27.679 -0.484 1.000 40.460 1 392 1
+ATOM ? CB . LYS . . 49 57 ? -16.015 -25.768 0.521 1.000 35.760 1 393 1
+ATOM ? CG . LYS . . 49 57 ? -15.929 -24.253 0.575 1.000 37.370 1 394 1
+ATOM ? CD . LYS . . 49 57 ? -14.813 -23.740 -0.317 1.000 37.660 1 395 1
+ATOM ? CE . LYS . . 49 57 ? -14.204 -22.480 0.248 1.000 37.380 1 396 1
+ATOM ? NZ . LYS . . 49 57 ? -12.905 -22.163 -0.403 1.000 39.470 1 397 1
+ATOM ? N . SER . . 50 58 ? -16.839 -28.630 0.394 1.000 40.200 1 398 1
+ATOM ? CA . SER . . 50 58 ? -17.066 -29.901 -0.283 1.000 41.650 1 399 1
+ATOM ? C . SER . . 50 58 ? -16.575 -31.052 0.580 1.000 40.660 1 400 1
+ATOM ? O . SER . . 50 58 ? -15.402 -31.109 0.946 1.000 40.040 1 401 1
+ATOM ? CB . SER . . 50 58 ? -16.350 -29.927 -1.635 1.000 43.970 1 402 1
+ATOM ? OG . SER . . 50 58 ? -14.970 -29.640 -1.488 1.000 47.510 1 403 1
+ATOM ? N . PRO . . 51 59 ? -17.482 -31.969 0.944 1.000 40.050 1 404 1
+ATOM ? CA . PRO . . 51 59 ? -18.894 -31.912 0.557 1.000 40.910 1 405 1
+ATOM ? C . PRO . . 51 59 ? -19.635 -30.816 1.321 1.000 42.200 1 406 1
+ATOM ? O . PRO . . 51 59 ? -19.343 -30.565 2.490 1.000 43.770 1 407 1
+ATOM ? CB . PRO . . 51 59 ? -19.413 -33.295 0.922 1.000 41.080 1 408 1
+ATOM ? CG . PRO . . 51 59 ? -18.574 -33.683 2.095 1.000 39.780 1 409 1
+ATOM ? CD . PRO . . 51 59 ? -17.199 -33.144 1.785 1.000 40.030 1 410 1
+ATOM ? N . GLN . . 52 60 ? -20.585 -30.166 0.658 1.000 42.420 1 411 1
+ATOM ? CA . GLN . . 52 60 ? -21.370 -29.107 1.283 1.000 41.180 1 412 1
+ATOM ? C . GLN . . 52 60 ? -22.146 -29.699 2.453 1.000 39.480 1 413 1
+ATOM ? O . GLN . . 52 60 ? -23.015 -30.542 2.248 1.000 38.800 1 414 1
+ATOM ? CB . GLN . . 52 60 ? -22.354 -28.507 0.270 1.000 42.680 1 415 1
+ATOM ? CG . GLN . . 52 60 ? -21.704 -27.963 -0.996 1.000 46.000 1 416 1
+ATOM ? CD . GLN . . 52 60 ? -22.505 -26.836 -1.636 1.000 48.740 1 417 1
+ATOM ? OE1 . GLN . . 52 60 ? -21.968 -26.039 -2.411 1.000 51.100 1 418 1
+ATOM ? NE2 . GLN . . 52 60 ? -23.793 -26.764 -1.312 1.000 49.310 1 419 1
+ATOM ? N . GLU . . 53 61 ? -21.827 -29.269 3.674 1.000 37.420 1 420 1
+ATOM ? CA . GLU . . 53 61 ? -22.520 -29.769 4.865 1.000 34.250 1 421 1
+ATOM ? C . GLU . . 53 61 ? -22.387 -28.858 6.096 1.000 29.610 1 422 1
+ATOM ? O . GLU . . 53 61 ? -21.486 -28.030 6.174 1.000 25.990 1 423 1
+ATOM ? CB . GLU . . 53 61 ? -22.015 -31.171 5.214 1.000 38.240 1 424 1
+ATOM ? CG . GLU . . 53 61 ? -20.590 -31.206 5.729 1.000 43.220 1 425 1
+ATOM ? CD . GLU . . 53 61 ? -20.157 -32.598 6.151 1.000 46.930 1 426 1
+ATOM ? OE1 . GLU . . 53 61 ? -18.933 -32.832 6.248 1.000 48.240 1 427 1
+ATOM ? OE2 . GLU . . 53 61 ? -21.035 -33.458 6.386 1.000 48.210 1 428 1
+ATOM ? N . LEU . . 54 62 ? -23.305 -29.021 7.046 1.000 28.220 1 429 1
+ATOM ? CA . LEU . . 54 62 ? -23.306 -28.237 8.283 1.000 27.500 1 430 1
+ATOM ? C . LEU . . 54 62 ? -22.260 -28.813 9.223 1.000 26.880 1 431 1
+ATOM ? O . LEU . . 54 62 ? -22.277 -30.007 9.512 1.000 26.290 1 432 1
+ATOM ? CB . LEU . . 54 62 ? -24.678 -28.303 8.965 1.000 27.550 1 433 1
+ATOM ? CG . LEU . . 54 62 ? -24.728 -27.849 10.430 1.000 27.340 1 434 1
+ATOM ? CD1 . LEU . . 54 62 ? -24.553 -26.342 10.494 1.000 27.640 1 435 1
+ATOM ? CD2 . LEU . . 54 62 ? -26.035 -28.263 11.078 1.000 26.260 1 436 1
+ATOM ? N . LEU . . 55 63 ? -21.352 -27.969 9.699 1.000 24.850 1 437 1
+ATOM ? CA . LEU . . 55 63 ? -20.307 -28.426 10.605 1.000 23.950 1 438 1
+ATOM ? C . LEU . . 55 63 ? -20.568 -28.019 12.042 1.000 22.980 1 439 1
+ATOM ? O . LEU . . 55 63 ? -20.421 -28.814 12.972 1.000 23.420 1 440 1
+ATOM ? CB . LEU . . 55 63 ? -18.958 -27.837 10.200 1.000 25.180 1 441 1
+ATOM ? CG . LEU . . 55 63 ? -18.411 -28.098 8.802 1.000 28.850 1 442 1
+ATOM ? CD1 . LEU . . 55 63 ? -17.265 -27.137 8.524 1.000 28.000 1 443 1
+ATOM ? CD2 . LEU . . 55 63 ? -17.943 -29.543 8.695 1.000 28.620 1 444 1
+ATOM ? N . CYS . . 56 64 ? -21.007 -26.782 12.217 1.000 18.100 1 445 1
+ATOM ? CA . CYS . . 56 64 ? -21.175 -26.258 13.553 1.000 14.800 1 446 1
+ATOM ? C . CYS . . 56 64 ? -21.919 -24.932 13.517 1.000 15.710 1 447 1
+ATOM ? O . CYS . . 56 64 ? -22.178 -24.370 12.448 1.000 13.530 1 448 1
+ATOM ? CB . CYS . . 56 64 ? -19.791 -25.957 14.100 1.000 12.020 1 449 1
+ATOM ? SG . CYS . . 56 64 ? -18.882 -27.262 14.998 1.000 15.840 1 450 1
+ATOM ? N . GLY . . 57 65 ? -22.235 -24.449 14.711 1.000 14.210 1 451 1
+ATOM ? CA . GLY . . 57 65 ? -22.859 -23.154 14.874 1.000 14.510 1 452 1
+ATOM ? C . GLY . . 57 65 ? -21.693 -22.210 15.178 1.000 14.500 1 453 1
+ATOM ? O . GLY . . 57 65 ? -20.543 -22.642 15.334 1.000 12.630 1 454 1
+ATOM ? N . ALA . . 58 66 ? -21.985 -20.921 15.235 1.000 12.720 1 455 1
+ATOM ? CA . ALA . . 58 66 ? -20.998 -19.882 15.514 1.000 11.770 1 456 1
+ATOM ? C . ALA . . 58 66 ? -21.822 -18.621 15.779 1.000 13.720 1 457 1
+ATOM ? O . ALA . . 58 66 ? -23.063 -18.674 15.716 1.000 10.160 1 458 1
+ATOM ? CB . ALA . . 58 66 ? -20.080 -19.682 14.314 1.000 10.460 1 459 1
+ATOM ? N . SER . . 59 67 ? -21.155 -17.509 16.095 1.000 13.080 1 460 1
+ATOM ? CA . SER . . 59 67 ? -21.870 -16.265 16.363 1.000 14.590 1 461 1
+ATOM ? C . SER . . 59 67 ? -21.147 -15.035 15.811 1.000 13.550 1 462 1
+ATOM ? O . SER . . 59 67 ? -19.917 -14.993 15.722 1.000 14.010 1 463 1
+ATOM ? CB . SER . . 59 67 ? -22.116 -16.095 17.873 1.000 13.180 1 464 1
+ATOM ? OG . SER . . 59 67 ? -20.910 -15.789 18.550 1.000 21.670 1 465 1
+ATOM ? N . LEU . . 60 68 ? -21.927 -14.033 15.427 1.000 15.850 1 466 1
+ATOM ? CA . LEU . . 60 68 ? -21.357 -12.807 14.878 1.000 15.990 1 467 1
+ATOM ? C . LEU . . 60 68 ? -21.164 -11.815 16.027 1.000 13.790 1 468 1
+ATOM ? O . LEU . . 60 68 ? -22.125 -11.470 16.712 1.000 12.630 1 469 1
+ATOM ? CB . LEU . . 60 68 ? -22.305 -12.208 13.828 1.000 17.570 1 470 1
+ATOM ? CG . LEU . . 60 68 ? -21.790 -10.953 13.119 1.000 19.500 1 471 1
+ATOM ? CD1 . LEU . . 60 68 ? -20.680 -11.360 12.180 1.000 18.370 1 472 1
+ATOM ? CD2 . LEU . . 60 68 ? -22.931 -10.253 12.353 1.000 19.860 1 473 1
+ATOM ? N . ILE . . 61 69 ? -19.930 -11.365 16.244 1.000 14.560 1 474 1
+ATOM ? CA . ILE . . 61 69 ? -19.660 -10.420 17.334 1.000 18.030 1 475 1
+ATOM ? C . ILE . . 61 69 ? -19.278 -9.019 16.842 1.000 20.060 1 476 1
+ATOM ? O . ILE . . 61 69 ? -19.157 -8.091 17.638 1.000 18.650 1 477 1
+ATOM ? CB . ILE . . 61 69 ? -18.553 -10.946 18.289 1.000 18.850 1 478 1
+ATOM ? CG1 . ILE . . 61 69 ? -17.278 -11.244 17.510 1.000 19.480 1 479 1
+ATOM ? CG2 . ILE . . 61 69 ? -19.035 -12.209 18.998 1.000 17.550 1 480 1
+ATOM ? CD1 . ILE . . 61 69 ? -16.072 -11.556 18.406 1.000 20.450 1 481 1
+ATOM ? N . SER . . 62 70 ? -19.080 -8.884 15.533 1.000 19.920 1 482 1
+ATOM ? CA . SER . . 62 70 ? -18.773 -7.596 14.902 1.000 23.550 1 483 1
+ATOM ? C . SER . . 62 70 ? -19.023 -7.782 13.406 1.000 25.600 1 484 1
+ATOM ? O . SER . . 62 70 ? -19.466 -8.856 12.993 1.000 25.750 1 485 1
+ATOM ? CB . SER . . 62 70 ? -17.325 -7.180 15.160 1.000 21.800 1 486 1
+ATOM ? OG . SER . . 62 70 ? -16.482 -7.541 14.087 1.000 23.160 1 487 1
+ATOM ? N . ASP . . 63 71 ? -18.744 -6.763 12.595 1.000 26.020 1 488 1
+ATOM ? CA . ASP . . 63 71 ? -18.980 -6.887 11.159 1.000 27.370 1 489 1
+ATOM ? C . ASP . . 63 71 ? -17.954 -7.770 10.473 1.000 26.510 1 490 1
+ATOM ? O . ASP . . 63 71 ? -18.140 -8.172 9.325 1.000 26.390 1 491 1
+ATOM ? CB . ASP . . 63 71 ? -19.005 -5.509 10.485 1.000 31.060 1 492 1
+ATOM ? CG . ASP . . 63 71 ? -17.718 -4.736 10.681 1.000 33.630 1 493 1
+ATOM ? OD1 . ASP . . 63 71 ? -17.789 -3.508 10.892 1.000 42.000 1 494 1
+ATOM ? OD2 . ASP . . 63 71 ? -16.635 -5.342 10.625 1.000 36.700 1 495 1
+ATOM ? N . ARG . . 64 72 ? -16.874 -8.086 11.176 1.000 25.590 1 496 1
+ATOM ? CA . ARG . . 64 72 ? -15.835 -8.915 10.584 1.000 24.950 1 497 1
+ATOM ? C . ARG . . 64 72 ? -15.307 -10.070 11.445 1.000 21.950 1 498 1
+ATOM ? O . ARG . . 64 72 ? -14.343 -10.721 11.062 1.000 21.370 1 499 1
+ATOM ? CB . ARG . . 64 72 ? -14.661 -8.028 10.168 1.000 31.060 1 500 1
+ATOM ? CG . ARG . . 64 72 ? -14.640 -7.730 8.684 1.000 39.390 1 501 1
+ATOM ? CD . ARG . . 64 72 ? -13.297 -7.203 8.243 1.000 45.130 1 502 1
+ATOM ? NE . ARG . . 64 72 ? -12.464 -8.252 7.667 1.000 48.060 1 503 1
+ATOM ? CZ . ARG . . 64 72 ? -11.457 -8.023 6.832 1.000 51.680 1 504 1
+ATOM ? NH1 . ARG . . 64 72 ? -11.157 -6.780 6.472 1.000 52.430 1 505 1
+ATOM ? NH2 . ARG . . 64 72 ? -10.745 -9.037 6.359 1.000 52.890 1 506 1
+ATOM ? N . TRP . . 65 73 ? -15.932 -10.333 12.589 1.000 20.790 1 507 1
+ATOM ? CA . TRP . . 65 73 ? -15.456 -11.412 13.463 1.000 20.200 1 508 1
+ATOM ? C . TRP . . 65 73 ? -16.545 -12.383 13.881 1.000 18.530 1 509 1
+ATOM ? O . TRP . . 65 73 ? -17.641 -11.976 14.277 1.000 16.650 1 510 1
+ATOM ? CB . TRP . . 65 73 ? -14.799 -10.828 14.719 1.000 19.540 1 511 1
+ATOM ? CG . TRP . . 65 73 ? -13.487 -10.166 14.436 1.000 21.290 1 512 1
+ATOM ? CD1 . TRP . . 65 73 ? -13.282 -8.844 14.179 1.000 20.720 1 513 1
+ATOM ? CD2 . TRP . . 65 73 ? -12.204 -10.799 14.329 1.000 20.210 1 514 1
+ATOM ? NE1 . TRP . . 65 73 ? -11.957 -8.613 13.914 1.000 22.250 1 515 1
+ATOM ? CE2 . TRP . . 65 73 ? -11.270 -9.794 14.000 1.000 22.450 1 516 1
+ATOM ? CE3 . TRP . . 65 73 ? -11.752 -12.115 14.478 1.000 21.520 1 517 1
+ATOM ? CZ2 . TRP . . 65 73 ? -9.906 -10.064 13.817 1.000 23.690 1 518 1
+ATOM ? CZ3 . TRP . . 65 73 ? -10.391 -12.386 14.294 1.000 19.500 1 519 1
+ATOM ? CH2 . TRP . . 65 73 ? -9.488 -11.366 13.969 1.000 20.710 1 520 1
+ATOM ? N . VAL . . 66 74 ? -16.224 -13.671 13.806 1.000 15.600 1 521 1
+ATOM ? CA . VAL . . 66 74 ? -17.162 -14.713 14.183 1.000 17.990 1 522 1
+ATOM ? C . VAL . . 66 74 ? -16.535 -15.569 15.288 1.000 15.460 1 523 1
+ATOM ? O . VAL . . 66 74 ? -15.390 -15.979 15.184 1.000 17.570 1 524 1
+ATOM ? CB . VAL . . 66 74 ? -17.526 -15.617 12.966 1.000 17.330 1 525 1
+ATOM ? CG1 . VAL . . 66 74 ? -18.285 -16.847 13.433 1.000 18.680 1 526 1
+ATOM ? CG2 . VAL . . 66 74 ? -18.383 -14.838 11.975 1.000 19.850 1 527 1
+ATOM ? N . LEU . . 67 75 ? -17.314 -15.849 16.323 1.000 14.590 1 528 1
+ATOM ? CA . LEU . . 67 75 ? -16.846 -16.640 17.458 1.000 15.510 1 529 1
+ATOM ? C . LEU . . 67 75 ? -17.400 -18.060 17.402 1.000 13.560 1 530 1
+ATOM ? O . LEU . . 67 75 ? -18.585 -18.251 17.151 1.000 12.930 1 531 1
+ATOM ? CB . LEU . . 67 75 ? -17.289 -15.953 18.750 1.000 17.160 1 532 1
+ATOM ? CG . LEU . . 67 75 ? -16.893 -16.577 20.083 1.000 16.490 1 533 1
+ATOM ? CD1 . LEU . . 67 75 ? -15.379 -16.510 20.264 1.000 13.930 1 534 1
+ATOM ? CD2 . LEU . . 67 75 ? -17.608 -15.824 21.185 1.000 16.240 1 535 1
+ATOM ? N . THR . . 68 76 ? -16.545 -19.055 17.633 1.000 14.100 1 536 1
+ATOM ? CA . THR . . 68 76 ? -16.981 -20.455 17.606 1.000 13.890 1 537 1
+ATOM ? C . THR . . 68 76 ? -16.108 -21.312 18.544 1.000 16.280 1 538 1
+ATOM ? O . THR . . 68 76 ? -15.248 -20.785 19.259 1.000 17.230 1 539 1
+ATOM ? CB . THR . . 68 76 ? -16.929 -21.012 16.146 1.000 14.430 1 540 1
+ATOM ? OG1 . THR . . 68 76 ? -17.647 -22.248 16.074 1.000 12.320 1 541 1
+ATOM ? CG2 . THR . . 68 76 ? -15.501 -21.218 15.684 1.000 15.670 1 542 1
+ATOM ? N . ALA . . 69 77 ? -16.341 -22.618 18.561 1.000 14.990 1 543 1
+ATOM ? CA . ALA . . 69 77 ? -15.552 -23.517 19.404 1.000 14.940 1 544 1
+ATOM ? C . ALA . . 69 77 ? -14.339 -24.034 18.640 1.000 16.980 1 545 1
+ATOM ? O . ALA . . 69 77 ? -14.418 -24.304 17.429 1.000 18.470 1 546 1
+ATOM ? CB . ALA . . 69 77 ? -16.412 -24.677 19.869 1.000 10.550 1 547 1
+ATOM ? N . ALA . . 70 78 ? -13.208 -24.183 19.332 1.000 16.930 1 548 1
+ATOM ? CA . ALA . . 70 78 ? -12.006 -24.680 18.664 1.000 14.970 1 549 1
+ATOM ? C . ALA . . 70 78 ? -12.234 -26.095 18.112 1.000 14.190 1 550 1
+ATOM ? O . ALA . . 70 78 ? -11.726 -26.443 17.041 1.000 16.410 1 551 1
+ATOM ? CB . ALA . . 70 78 ? -10.827 -24.679 19.629 1.000 18.330 1 552 1
+ATOM ? N . HIS . . 71 79 ? -13.001 -26.908 18.835 1.000 12.480 1 553 1
+ATOM ? CA . HIS . . 71 79 ? -13.247 -28.272 18.392 1.000 16.710 1 554 1
+ATOM ? C . HIS . . 71 79 ? -13.961 -28.362 17.042 1.000 19.420 1 555 1
+ATOM ? O . HIS . . 71 79 ? -13.947 -29.409 16.399 1.000 18.980 1 556 1
+ATOM ? CB . HIS . . 71 79 ? -14.022 -29.050 19.456 1.000 14.880 1 557 1
+ATOM ? CG . HIS . . 71 79 ? -15.502 -28.823 19.433 1.000 15.600 1 558 1
+ATOM ? ND1 . HIS . . 71 79 ? -16.141 -28.005 20.342 1.000 13.940 1 559 1
+ATOM ? CD2 . HIS . . 71 79 ? -16.479 -29.369 18.668 1.000 14.620 1 560 1
+ATOM ? CE1 . HIS . . 71 79 ? -17.446 -28.059 20.141 1.000 15.450 1 561 1
+ATOM ? NE2 . HIS . . 71 79 ? -17.678 -28.880 19.131 1.000 15.300 1 562 1
+ATOM ? N . CYS . . 72 80 ? -14.585 -27.265 16.615 1.000 18.160 1 563 1
+ATOM ? CA . CYS . . 72 80 ? -15.276 -27.240 15.332 1.000 15.830 1 564 1
+ATOM ? C . CYS . . 72 80 ? -14.265 -27.229 14.210 1.000 16.890 1 565 1
+ATOM ? O . CYS . . 72 80 ? -14.549 -27.688 13.099 1.000 19.840 1 566 1
+ATOM ? CB . CYS . . 72 80 ? -16.153 -25.985 15.210 1.000 13.020 1 567 1
+ATOM ? SG . CYS . . 72 80 ? -17.672 -26.116 16.166 1.000 12.780 1 568 1
+ATOM ? N . LEU . . 73 81 ? -13.083 -26.695 14.493 1.000 16.630 1 569 1
+ATOM ? CA . LEU . . 73 81 ? -12.040 -26.596 13.484 1.000 20.150 1 570 1
+ATOM ? C . LEU . . 73 81 ? -10.908 -27.607 13.664 1.000 22.810 1 571 1
+ATOM ? O . LEU . . 73 81 ? -10.350 -28.119 12.688 1.000 24.530 1 572 1
+ATOM ? CB . LEU . . 73 81 ? -11.438 -25.188 13.493 1.000 22.510 1 573 1
+ATOM ? CG . LEU . . 73 81 ? -12.251 -23.983 12.990 1.000 26.390 1 574 1
+ATOM ? CD1 . LEU . . 73 81 ? -13.741 -24.211 13.149 1.000 28.100 1 575 1
+ATOM ? CD2 . LEU . . 73 81 ? -11.832 -22.757 13.779 1.000 26.280 1 576 1
+ATOM ? N . LEU . . 74 82 ? -10.574 -27.898 14.913 1.000 19.670 1 577 1
+ATOM ? CA . LEU . . 74 82 ? -9.475 -28.800 15.187 1.000 19.030 1 578 1
+ATOM ? C . LEU . . 74 82 ? -9.784 -29.790 16.289 1.000 19.220 1 579 1
+ATOM ? O . LEU . . 74 82 ? -10.103 -29.417 17.426 1.000 18.750 1 580 1
+ATOM ? CB . LEU . . 74 82 ? -8.230 -27.986 15.552 1.000 18.890 1 581 1
+ATOM ? CG . LEU . . 74 82 ? -7.008 -28.737 16.096 1.000 21.050 1 582 1
+ATOM ? CD1 . LEU . . 74 82 ? -6.253 -29.402 14.959 1.000 19.450 1 583 1
+ATOM ? CD2 . LEU . . 74 82 ? -6.101 -27.751 16.820 1.000 20.950 1 584 1
+ATOM ? N . TYR . . 75 83 ? -9.701 -31.061 15.921 1.000 20.140 1 585 1
+ATOM ? CA . TYR . . 75 83 ? -9.916 -32.165 16.843 1.000 20.140 1 586 1
+ATOM ? C . TYR . . 75 83 ? -9.290 -33.416 16.236 1.000 19.170 1 587 1
+ATOM ? O . TYR . . 75 83 ? -9.981 -34.241 15.625 1.000 18.480 1 588 1
+ATOM ? CB . TYR . . 75 83 ? -11.401 -32.394 17.092 1.000 18.770 1 589 1
+ATOM ? CG . TYR . . 75 83 ? -11.631 -33.263 18.290 1.000 19.260 1 590 1
+ATOM ? CD1 . TYR . . 75 83 ? -11.161 -32.879 19.543 1.000 19.820 1 591 1
+ATOM ? CD2 . TYR . . 75 83 ? -12.264 -34.502 18.170 1.000 21.800 1 592 1
+ATOM ? CE1 . TYR . . 75 83 ? -11.309 -33.706 20.653 1.000 21.480 1 593 1
+ATOM ? CE2 . TYR . . 75 83 ? -12.418 -35.336 19.276 1.000 23.440 1 594 1
+ATOM ? CZ . TYR . . 75 83 ? -11.935 -34.929 20.513 1.000 24.080 1 595 1
+ATOM ? OH . TYR . . 75 83 ? -12.072 -35.744 21.609 1.000 26.260 1 596 1
+ATOM ? N . PRO . . 76 84 ? -7.969 -33.577 16.415 1.000 21.420 1 597 1
+ATOM ? CA . PRO . . 76 84 ? -7.228 -34.728 15.881 1.000 22.440 1 598 1
+ATOM ? C . PRO . . 76 84 ? -7.839 -36.110 16.136 1.000 22.750 1 599 1
+ATOM ? O . PRO . . 76 84 ? -7.777 -36.975 15.274 1.000 26.470 1 600 1
+ATOM ? CB . PRO . . 76 84 ? -5.831 -34.566 16.481 1.000 21.910 1 601 1
+ATOM ? CG . PRO . . 76 84 ? -5.702 -33.075 16.707 1.000 22.100 1 602 1
+ATOM ? CD . PRO . . 76 84 ? -7.083 -32.659 17.159 1.000 19.780 1 603 1
+ATOM ? N . PRO . . 77 85 ? -8.417 -36.344 17.322 1.000 23.000 1 604 1
+ATOM ? CA . PRO . . 77 85 ? -8.996 -37.674 17.545 1.000 25.900 1 605 1
+ATOM ? C . PRO . . 77 85 ? -10.031 -38.088 16.500 1.000 27.840 1 606 1
+ATOM ? O . PRO . . 77 85 ? -10.250 -39.281 16.285 1.000 29.260 1 607 1
+ATOM ? CB . PRO . . 77 85 ? -9.601 -37.574 18.946 1.000 23.490 1 608 1
+ATOM ? CG . PRO . . 77 85 ? -8.814 -36.482 19.606 1.000 25.150 1 609 1
+ATOM ? CD . PRO . . 77 85 ? -8.546 -35.489 18.512 1.000 23.400 1 610 1
+ATOM ? N . TRP . . 78 86 ? -10.669 -37.110 15.863 1.000 30.030 1 611 1
+ATOM ? CA . TRP . . 78 86 ? -11.667 -37.384 14.829 1.000 29.920 1 612 1
+ATOM ? C . TRP . . 78 86 ? -11.127 -36.951 13.475 1.000 30.550 1 613 1
+ATOM ? O . TRP . . 78 86 ? -11.893 -36.690 12.546 1.000 32.770 1 614 1
+ATOM ? CB . TRP . . 78 86 ? -12.968 -36.631 15.110 1.000 29.560 1 615 1
+ATOM ? CG . TRP . . 78 86 ? -13.729 -37.114 16.305 1.000 28.580 1 616 1
+ATOM ? CD1 . TRP . . 78 86 ? -13.495 -38.248 17.029 1.000 30.010 1 617 1
+ATOM ? CD2 . TRP . . 78 86 ? -14.850 -36.471 16.919 1.000 29.840 1 618 1
+ATOM ? NE1 . TRP . . 78 86 ? -14.401 -38.350 18.057 1.000 29.260 1 619 1
+ATOM ? CE2 . TRP . . 78 86 ? -15.245 -37.273 18.012 1.000 29.570 1 620 1
+ATOM ? CE3 . TRP . . 78 86 ? -15.563 -35.293 16.650 1.000 31.310 1 621 1
+ATOM ? CZ2 . TRP . . 78 86 ? -16.321 -36.933 18.841 1.000 32.180 1 622 1
+ATOM ? CZ3 . TRP . . 78 86 ? -16.637 -34.956 17.478 1.000 30.680 1 623 1
+ATOM ? CH2 . TRP . . 78 86 ? -17.003 -35.775 18.559 1.000 30.070 1 624 1
+ATOM ? N . ASP . . 79 87 ? -9.806 -36.863 13.374 1.000 30.000 1 625 1
+ATOM ? CA . ASP . . 79 87 ? -9.145 -36.469 12.136 1.000 32.410 1 626 1
+ATOM ? C . ASP . . 79 87 ? -9.728 -35.186 11.565 1.000 32.450 1 627 1
+ATOM ? O . ASP . . 79 87 ? -9.994 -35.084 10.366 1.000 33.000 1 628 1
+ATOM ? CB . ASP . . 79 87 ? -9.259 -37.586 11.100 1.000 36.610 1 629 1
+ATOM ? CG . ASP . . 79 87 ? -8.312 -38.728 11.383 1.000 41.010 1 630 1
+ATOM ? OD1 . ASP . . 79 87 ? -7.087 -38.536 11.215 1.000 45.100 1 631 1
+ATOM ? OD2 . ASP . . 79 87 ? -8.793 -39.809 11.777 1.000 41.490 1 632 1
+ATOM ? N . LYS . . 80 88 ? -9.922 -34.205 12.431 1.000 30.070 1 633 1
+ATOM ? CA . LYS . . 80 88 ? -10.475 -32.936 12.010 1.000 27.820 1 634 1
+ATOM ? C . LYS . . 80 88 ? -9.431 -31.832 12.116 1.000 28.070 1 635 1
+ATOM ? O . LYS . . 80 88 ? -8.823 -31.635 13.163 1.000 26.660 1 636 1
+ATOM ? CB . LYS . . 80 88 ? -11.689 -32.615 12.871 1.000 29.280 1 637 1
+ATOM ? CG . LYS . . 80 88 ? -12.163 -31.183 12.774 1.000 32.920 1 638 1
+ATOM ? CD . LYS . . 80 88 ? -13.645 -31.130 12.519 1.000 33.080 1 639 1
+ATOM ? CE . LYS . . 80 88 ? -14.437 -31.297 13.784 1.000 32.920 1 640 1
+ATOM ? NZ . LYS . . 80 88 ? -15.758 -31.886 13.476 1.000 33.640 1 641 1
+ATOM ? N . ASN . . 81 89 ? -9.218 -31.122 11.018 1.000 27.970 1 642 1
+ATOM ? CA . ASN . . 81 89 ? -8.266 -30.023 10.986 1.000 30.800 1 643 1
+ATOM ? C . ASN . . 81 89 ? -8.536 -29.160 9.760 1.000 31.630 1 644 1
+ATOM ? O . ASN . . 81 89 ? -7.842 -29.266 8.749 1.000 31.200 1 645 1
+ATOM ? CB . ASN . . 81 89 ? -6.840 -30.557 10.940 1.000 34.640 1 646 1
+ATOM ? CG . ASN . . 81 89 ? -5.815 -29.470 11.105 1.000 40.410 1 647 1
+ATOM ? OD1 . ASN . . 81 89 ? -6.151 -28.323 11.397 1.000 41.480 1 648 1
+ATOM ? ND2 . ASN . . 81 89 ? -4.552 -29.835 10.914 1.000 46.130 1 649 1
+ATOM ? N . PHE . . 82 90 ? -9.548 -28.301 9.863 1.000 30.800 1 650 1
+ATOM ? CA . PHE . . 82 90 ? -9.937 -27.429 8.761 1.000 29.370 1 651 1
+ATOM ? C . PHE . . 82 90 ? -9.150 -26.129 8.675 1.000 30.100 1 652 1
+ATOM ? O . PHE . . 82 90 ? -8.773 -25.552 9.693 1.000 29.650 1 653 1
+ATOM ? CB . PHE . . 82 90 ? -11.417 -27.077 8.878 1.000 27.580 1 654 1
+ATOM ? CG . PHE . . 82 90 ? -12.334 -28.259 8.809 1.000 27.340 1 655 1
+ATOM ? CD1 . PHE . . 82 90 ? -12.407 -29.034 7.658 1.000 27.870 1 656 1
+ATOM ? CD2 . PHE . . 82 90 ? -13.151 -28.581 9.885 1.000 26.630 1 657 1
+ATOM ? CE1 . PHE . . 82 90 ? -13.282 -30.113 7.576 1.000 27.090 1 658 1
+ATOM ? CE2 . PHE . . 82 90 ? -14.033 -29.659 9.815 1.000 26.210 1 659 1
+ATOM ? CZ . PHE . . 82 90 ? -14.096 -30.426 8.655 1.000 27.770 1 660 1
+ATOM ? N . THR . . 83 91 ? -8.907 -25.668 7.451 1.000 29.790 1 661 1
+ATOM ? CA . THR . . 83 91 ? -8.218 -24.402 7.256 1.000 31.880 1 662 1
+ATOM ? C . THR . . 83 91 ? -9.219 -23.388 6.693 1.000 30.620 1 663 1
+ATOM ? O . THR . . 83 91 ? -10.366 -23.729 6.402 1.000 28.810 1 664 1
+ATOM ? CB . THR . . 83 91 ? -7.041 -24.529 6.283 1.000 32.790 1 665 1
+ATOM ? OG1 . THR . . 83 91 ? -7.399 -25.403 5.209 1.000 37.000 1 666 1
+ATOM ? CG2 . THR . . 83 91 ? -5.824 -25.081 7.002 1.000 36.910 1 667 1
+ATOM ? N . GLU . . 84 92 ? -8.779 -22.144 6.548 1.000 32.130 1 668 1
+ATOM ? CA . GLU . . 84 92 ? -9.626 -21.076 6.034 1.000 34.430 1 669 1
+ATOM ? C . GLU . . 84 92 ? -10.347 -21.444 4.741 1.000 35.030 1 670 1
+ATOM ? O . GLU . . 84 92 ? -11.543 -21.193 4.593 1.000 36.000 1 671 1
+ATOM ? CB . GLU . . 84 92 ? -8.785 -19.819 5.795 1.000 35.560 1 672 1
+ATOM ? CG . GLU . . 84 92 ? -8.245 -19.176 7.066 1.000 37.720 1 673 1
+ATOM ? CD . GLU . . 84 92 ? -6.963 -19.828 7.561 1.000 39.510 1 674 1
+ATOM ? OE1 . GLU . . 84 92 ? -6.433 -20.718 6.856 1.000 38.860 1 675 1
+ATOM ? OE2 . GLU . . 84 92 ? -6.489 -19.449 8.656 1.000 37.460 1 676 1
+ATOM ? N . ASN . . 85 93 ? -9.618 -22.051 3.815 1.000 36.430 1 677 1
+ATOM ? CA . ASN . . 85 93 ? -10.171 -22.422 2.517 1.000 38.300 1 678 1
+ATOM ? C . ASN . . 85 93 ? -11.127 -23.607 2.503 1.000 35.780 1 679 1
+ATOM ? O . ASN . . 85 93 ? -11.747 -23.889 1.479 1.000 36.060 1 680 1
+ATOM ? CB . ASN . . 85 93 ? -9.032 -22.683 1.530 1.000 43.190 1 681 1
+ATOM ? CG . ASN . . 85 93 ? -8.577 -21.419 0.823 1.000 49.390 1 682 1
+ATOM ? OD1 . ASN . . 85 93 ? -8.585 -20.331 1.403 1.000 52.990 1 683 1
+ATOM ? ND2 . ASN . . 85 93 ? -8.178 -21.556 -0.438 1.000 52.050 1 684 1
+ATOM ? N . ASP . . 86 94 ? -11.259 -24.301 3.626 1.000 32.790 1 685 1
+ATOM ? CA . ASP . . 86 94 ? -12.142 -25.454 3.681 1.000 30.070 1 686 1
+ATOM ? C . ASP . . 86 94 ? -13.592 -25.111 3.954 1.000 29.270 1 687 1
+ATOM ? O . ASP . . 86 94 ? -14.474 -25.948 3.748 1.000 29.230 1 688 1
+ATOM ? CB . ASP . . 86 94 ? -11.679 -26.433 4.757 1.000 33.510 1 689 1
+ATOM ? CG . ASP . . 86 94 ? -10.344 -27.060 4.437 1.000 35.530 1 690 1
+ATOM ? OD1 . ASP . . 86 94 ? -9.973 -27.095 3.243 1.000 36.760 1 691 1
+ATOM ? OD2 . ASP . . 86 94 ? -9.666 -27.513 5.381 1.000 37.370 1 692 1
+ATOM ? N . LEU . . 87 95 ? -13.865 -23.902 4.422 1.000 27.200 1 693 1
+ATOM ? CA . LEU . . 87 95 ? -15.250 -23.597 4.727 1.000 29.220 1 694 1
+ATOM ? C . LEU . . 87 95 ? -15.777 -22.201 4.489 1.000 26.450 1 695 1
+ATOM ? O . LEU . . 87 95 ? -15.046 -21.268 4.164 1.000 29.140 1 696 1
+ATOM ? CB . LEU . . 87 95 ? -15.571 -24.006 6.170 1.000 31.780 1 697 1
+ATOM ? CG . LEU . . 87 95 ? -14.745 -23.488 7.352 1.000 33.990 1 698 1
+ATOM ? CD1 . LEU . . 87 95 ? -14.130 -24.676 8.054 1.000 33.740 1 699 1
+ATOM ? CD2 . LEU . . 87 95 ? -13.668 -22.531 6.903 1.000 36.420 1 700 1
+ATOM ? N . LEU . . 88 96 ? -17.086 -22.097 4.656 1.000 25.970 1 701 1
+ATOM ? CA . LEU . . 88 96 ? -17.805 -20.857 4.477 1.000 26.550 1 702 1
+ATOM ? C . LEU . . 88 96 ? -18.648 -20.588 5.706 1.000 25.020 1 703 1
+ATOM ? O . LEU . . 88 96 ? -19.043 -21.507 6.429 1.000 25.360 1 704 1
+ATOM ? CB . LEU . . 88 96 ? -18.727 -20.945 3.258 1.000 26.000 1 705 1
+ATOM ? CG . LEU . . 88 96 ? -18.065 -21.169 1.900 1.000 27.300 1 706 1
+ATOM ? CD1 . LEU . . 88 96 ? -19.148 -21.225 0.829 1.000 27.840 1 707 1
+ATOM ? CD2 . LEU . . 88 96 ? -17.084 -20.042 1.608 1.000 28.510 1 708 1
+ATOM ? N . VAL . . 89 97 ? -18.921 -19.311 5.919 1.000 23.710 1 709 1
+ATOM ? CA . VAL . . 89 97 ? -19.731 -18.864 7.026 1.000 25.170 1 710 1
+ATOM ? C . VAL . . 89 97 ? -21.011 -18.316 6.388 1.000 22.400 1 711 1
+ATOM ? O . VAL . . 89 97 ? -20.936 -17.517 5.471 1.000 24.470 1 712 1
+ATOM ? CB . VAL . . 89 97 ? -18.955 -17.767 7.817 1.000 25.610 1 713 1
+ATOM ? CG1 . VAL . . 89 97 ? -19.835 -16.587 8.117 1.000 28.560 1 714 1
+ATOM ? CG2 . VAL . . 89 97 ? -18.390 -18.364 9.103 1.000 28.810 1 715 1
+ATOM ? N . ARG . . 90 98 ? -22.170 -18.775 6.843 1.000 19.590 1 716 1
+ATOM ? CA . ARG . . 90 98 ? -23.442 -18.294 6.312 1.000 20.460 1 717 1
+ATOM ? C . ARG . . 90 98 ? -24.192 -17.587 7.438 1.000 18.320 1 718 1
+ATOM ? O . ARG . . 90 98 ? -24.480 -18.182 8.477 1.000 19.200 1 719 1
+ATOM ? CB . ARG . . 90 98 ? -24.259 -19.456 5.749 1.000 17.440 1 720 1
+ATOM ? CG . ARG . . 90 98 ? -23.547 -20.183 4.602 1.000 21.730 1 721 1
+ATOM ? CD . ARG . . 90 98 ? -24.300 -21.428 4.172 1.000 21.200 1 722 1
+ATOM ? NE . ARG . . 90 98 ? -25.569 -21.114 3.520 1.000 23.940 1 723 1
+ATOM ? CZ . ARG . . 90 98 ? -26.280 -21.988 2.810 1.000 24.020 1 724 1
+ATOM ? NH1 . ARG . . 90 98 ? -25.847 -23.236 2.653 1.000 25.050 1 725 1
+ATOM ? NH2 . ARG . . 90 98 ? -27.433 -21.627 2.273 1.000 21.310 1 726 1
+ATOM ? N . ILE . . 91 99 ? -24.508 -16.316 7.202 1.000 16.060 1 727 1
+ATOM ? CA . ILE . . 91 99 ? -25.157 -15.442 8.173 1.000 17.740 1 728 1
+ATOM ? C . ILE . . 91 99 ? -26.562 -14.978 7.778 1.000 17.510 1 729 1
+ATOM ? O . ILE . . 91 99 ? -26.841 -14.786 6.604 1.000 18.690 1 730 1
+ATOM ? CB . ILE . . 91 99 ? -24.267 -14.183 8.387 1.000 18.280 1 731 1
+ATOM ? CG1 . ILE . . 91 99 ? -22.791 -14.591 8.327 1.000 19.910 1 732 1
+ATOM ? CG2 . ILE . . 91 99 ? -24.605 -13.496 9.705 1.000 19.850 1 733 1
+ATOM ? CD1 . ILE . . 91 99 ? -21.806 -13.436 8.466 1.000 22.840 1 734 1
+ATOM ? N . GLY . . 92 100 ? -27.426 -14.792 8.775 1.000 17.630 1 735 1
+ATOM ? CA . GLY . . 92 100 ? -28.787 -14.337 8.553 1.000 17.750 1 736 1
+ATOM ? C . GLY . . 92 100 ? -29.778 -15.411 8.132 1.000 20.330 1 737 1
+ATOM ? O . GLY . . 92 100 ? -30.871 -15.096 7.662 1.000 18.860 1 738 1
+ATOM ? N . LYS . . 93 101 ? -29.414 -16.677 8.309 1.000 19.210 1 739 1
+ATOM ? CA . LYS . . 93 101 ? -30.282 -17.776 7.910 1.000 17.090 1 740 1
+ATOM ? C . LYS . . 93 101 ? -31.378 -18.132 8.891 1.000 20.340 1 741 1
+ATOM ? O . LYS . . 93 101 ? -31.347 -17.758 10.073 1.000 18.310 1 742 1
+ATOM ? CB . LYS . . 93 101 ? -29.456 -19.042 7.647 1.000 16.210 1 743 1
+ATOM ? CG . LYS . . 93 101 ? -28.478 -18.939 6.502 1.000 16.480 1 744 1
+ATOM ? CD . LYS . . 93 101 ? -27.873 -20.308 6.176 1.000 19.510 1 745 1
+ATOM ? CE . LYS . . 93 101 ? -28.933 -21.308 5.689 1.000 19.550 1 746 1
+ATOM ? NZ . LYS . . 93 101 ? -29.890 -20.671 4.731 1.000 22.370 1 747 1
+ATOM ? N . HIS . . 94 102 ? -32.359 -18.870 8.374 1.000 16.380 1 748 1
+ATOM ? CA . HIS . . 94 102 ? -33.465 -19.351 9.175 1.000 17.870 1 749 1
+ATOM ? C . HIS . . 94 102 ? -33.643 -20.814 8.790 1.000 20.710 1 750 1
+ATOM ? O . HIS . . 94 102 ? -33.626 -21.711 9.643 1.000 19.960 1 751 1
+ATOM ? CB . HIS . . 94 102 ? -34.743 -18.574 8.867 1.000 16.380 1 752 1
+ATOM ? CG . HIS . . 94 102 ? -35.923 -19.030 9.665 1.000 19.180 1 753 1
+ATOM ? ND1 . HIS . . 94 102 ? -36.003 -18.877 11.033 1.000 19.800 1 754 1
+ATOM ? CD2 . HIS . . 94 102 ? -37.067 -19.651 9.288 1.000 19.100 1 755 1
+ATOM ? CE1 . HIS . . 94 102 ? -37.145 -19.383 11.465 1.000 20.080 1 756 1
+ATOM ? NE2 . HIS . . 94 102 ? -37.810 -19.859 10.427 1.000 16.830 1 757 1
+ATOM ? N . SER . . 95 103 ? -33.814 -21.040 7.489 1.000 19.970 1 758 1
+ATOM ? CA . SER . . 95 103 ? -33.975 -22.386 6.951 1.000 20.730 1 759 1
+ATOM ? C . SER . . 95 103 ? -32.606 -23.061 6.997 1.000 17.610 1 760 1
+ATOM ? O . SER . . 95 103 ? -31.586 -22.443 6.679 1.000 20.000 1 761 1
+ATOM ? CB . SER . . 95 103 ? -34.469 -22.321 5.495 1.000 21.850 1 762 1
+ATOM ? OG . SER . . 95 103 ? -34.278 -23.563 4.838 1.000 26.180 1 763 1
+ATOM ? N . ARG . . 96 104 ? -32.578 -24.328 7.384 1.000 18.400 1 764 1
+ATOM ? CA . ARG . . 96 104 ? -31.304 -25.035 7.457 1.000 19.140 1 765 1
+ATOM ? C . ARG . . 96 104 ? -30.699 -25.359 6.098 1.000 20.490 1 766 1
+ATOM ? O . ARG . . 96 104 ? -29.523 -25.086 5.855 1.000 21.170 1 767 1
+ATOM ? CB . ARG . . 96 104 ? -31.467 -26.331 8.241 1.000 18.090 1 768 1
+ATOM ? CG . ARG . . 96 104 ? -30.240 -27.262 8.175 1.000 18.760 1 769 1
+ATOM ? CD . ARG . . 96 104 ? -30.466 -28.520 9.005 1.000 21.980 1 770 1
+ATOM ? NE . ARG . . 96 104 ? -31.504 -29.389 8.445 1.000 27.330 1 771 1
+ATOM ? CZ . ARG . . 96 104 ? -31.271 -30.397 7.602 1.000 28.970 1 772 1
+ATOM ? NH1 . ARG . . 96 104 ? -30.032 -30.673 7.215 1.000 26.270 1 773 1
+ATOM ? NH2 . ARG . . 96 104 ? -32.283 -31.121 7.127 1.000 28.580 1 774 1
+ATOM ? N . THR . . 97 105 ? -31.505 -25.920 5.197 1.000 21.340 1 775 1
+ATOM ? CA . THR . . 97 105 ? -30.987 -26.337 3.891 1.000 23.510 1 776 1
+ATOM ? C . THR . . 97 105 ? -31.128 -25.418 2.688 1.000 24.170 1 777 1
+ATOM ? O . THR . . 97 105 ? -30.394 -25.559 1.715 1.000 22.770 1 778 1
+ATOM ? CB . THR . . 97 105 ? -31.600 -27.675 3.495 1.000 25.420 1 779 1
+ATOM ? OG1 . THR . . 97 105 ? -33.003 -27.496 3.265 1.000 24.030 1 780 1
+ATOM ? CG2 . THR . . 97 105 ? -31.398 -28.699 4.610 1.000 27.320 1 781 1
+ATOM ? N . ARG . . 98 106 ? -32.053 -24.473 2.741 1.000 26.020 1 782 1
+ATOM ? CA . ARG . . 98 106 ? -32.260 -23.587 1.607 1.000 27.690 1 783 1
+ATOM ? C . ARG . . 98 106 ? -31.285 -22.427 1.482 1.000 27.770 1 784 1
+ATOM ? O . ARG . . 98 106 ? -30.767 -21.926 2.481 1.000 29.270 1 785 1
+ATOM ? CB . ARG . . 98 106 ? -33.682 -23.033 1.646 1.000 32.680 1 786 1
+ATOM ? CG . ARG . . 98 106 ? -34.238 -22.707 0.271 1.000 37.250 1 787 1
+ATOM ? CD . ARG . . 98 106 ? -34.110 -21.229 -0.056 1.000 36.090 1 788 1
+ATOM ? NE . ARG . . 98 106 ? -33.378 -20.998 -1.298 1.000 36.770 1 789 1
+ATOM ? CZ . ARG . . 98 106 ? -33.937 -20.899 -2.500 1.000 36.720 1 790 1
+ATOM ? NH1 . ARG . . 98 106 ? -35.250 -21.015 -2.638 1.000 36.950 1 791 1
+ATOM ? NH2 . ARG . . 98 106 ? -33.182 -20.660 -3.564 1.000 36.610 1 792 1
+ATOM ? N . TYR . . 99 107 ? -31.016 -22.014 0.246 1.000 25.210 1 793 1
+ATOM ? CA . TYR . . 99 107 ? -30.146 -20.870 0.017 1.000 26.120 1 794 1
+ATOM ? C . TYR . . 99 107 ? -31.122 -19.690 0.024 1.000 27.730 1 795 1
+ATOM ? O . TYR . . 99 107 ? -31.797 -19.420 -0.975 1.000 29.030 1 796 1
+ATOM ? CB . TYR . . 99 107 ? -29.446 -20.962 -1.336 1.000 26.700 1 797 1
+ATOM ? CG . TYR . . 99 107 ? -28.793 -19.662 -1.725 1.000 28.210 1 798 1
+ATOM ? CD1 . TYR . . 99 107 ? -27.779 -19.112 -0.937 1.000 27.530 1 799 1
+ATOM ? CD2 . TYR . . 99 107 ? -29.228 -18.946 -2.841 1.000 28.600 1 800 1
+ATOM ? CE1 . TYR . . 99 107 ? -27.220 -17.883 -1.245 1.000 31.000 1 801 1
+ATOM ? CE2 . TYR . . 99 107 ? -28.675 -17.712 -3.162 1.000 29.200 1 802 1
+ATOM ? CZ . TYR . . 99 107 ? -27.675 -17.186 -2.363 1.000 30.960 1 803 1
+ATOM ? OH . TYR . . 99 107 ? -27.116 -15.972 -2.677 1.000 32.890 1 804 1
+ATOM ? N . GLU . . 100 108 ? -31.197 -19.001 1.158 1.000 24.160 1 805 1
+ATOM ? CA . GLU . . 100 108 ? -32.125 -17.894 1.343 1.000 23.520 1 806 1
+ATOM ? C . GLU . . 100 108 ? -31.755 -16.592 0.622 1.000 24.480 1 807 1
+ATOM ? O . GLU . . 100 108 ? -31.282 -15.623 1.222 1.000 19.950 1 808 1
+ATOM ? CB . GLU . . 100 108 ? -32.332 -17.700 2.853 1.000 21.560 1 809 1
+ATOM ? CG . GLU . . 100 108 ? -33.092 -18.895 3.467 1.000 20.880 1 810 1
+ATOM ? CD . GLU . . 100 108 ? -32.990 -18.985 4.989 1.000 20.290 1 811 1
+ATOM ? OE1 . GLU . . 100 108 ? -34.048 -18.964 5.650 1.000 18.820 1 812 1
+ATOM ? OE2 . GLU . . 100 108 ? -31.863 -19.086 5.521 1.000 18.360 1 813 1
+ATOM ? N . ARG . . 101 109 ? -32.006 -16.602 -0.691 1.000 24.390 1 814 1
+ATOM ? CA . ARG . . 101 109 ? -31.726 -15.497 -1.602 1.000 22.760 1 815 1
+ATOM ? C . ARG . . 101 109 ? -32.214 -14.157 -1.077 1.000 18.790 1 816 1
+ATOM ? O . ARG . . 101 109 ? -33.334 -14.050 -0.596 1.000 19.600 1 817 1
+ATOM ? CB . ARG . . 101 109 ? -32.367 -15.794 -2.970 1.000 24.250 1 818 1
+ATOM ? CG . ARG . . 101 109 ? -31.762 -15.014 -4.141 1.000 26.650 1 819 1
+ATOM ? CD . ARG . . 101 109 ? -32.147 -15.602 -5.521 1.000 24.680 1 820 1
+ATOM ? NE . ARG . . 101 109 ? -33.478 -16.215 -5.544 1.000 25.590 1 821 1
+ATOM ? CZ . ARG . . 101 109 ? -34.566 -15.638 -6.054 1.000 25.780 1 822 1
+ATOM ? NH1 . ARG . . 101 109 ? -34.498 -14.424 -6.592 1.000 23.750 1 823 1
+ATOM ? NH2 . ARG . . 101 109 ? -35.725 -16.279 -6.034 1.000 23.560 1 824 1
+ATOM ? N . ASN . . 102 110 ? -31.354 -13.145 -1.174 1.000 20.770 1 825 1
+ATOM ? CA . ASN . . 102 110 ? -31.649 -11.783 -0.722 1.000 23.400 1 826 1
+ATOM ? C . ASN . . 102 110 ? -31.762 -11.630 0.803 1.000 24.100 1 827 1
+ATOM ? O . ASN . . 102 110 ? -32.056 -10.541 1.297 1.000 24.270 1 828 1
+ATOM ? CB . ASN . . 102 110 ? -32.949 -11.278 -1.359 1.000 23.770 1 829 1
+ATOM ? CG . ASN . . 102 110 ? -32.833 -11.075 -2.860 1.000 25.130 1 830 1
+ATOM ? OD1 . ASN . . 102 110 ? -31.827 -11.428 -3.480 1.000 24.200 1 831 1
+ATOM ? ND2 . ASN . . 102 110 ? -33.875 -10.499 -3.452 1.000 27.720 1 832 1
+ATOM ? N . ILE . . 103 111 ? -31.549 -12.712 1.545 1.000 23.870 1 833 1
+ATOM ? CA . ILE . . 103 111 ? -31.643 -12.658 3.006 1.000 21.440 1 834 1
+ATOM ? C . ILE . . 103 111 ? -30.307 -13.023 3.657 1.000 23.190 1 835 1
+ATOM ? O . ILE . . 103 111 ? -29.698 -12.199 4.346 1.000 23.360 1 836 1
+ATOM ? CB . ILE . . 103 111 ? -32.769 -13.596 3.518 1.000 20.000 1 837 1
+ATOM ? CG1 . ILE . . 103 111 ? -34.129 -13.063 3.036 1.000 22.630 1 838 1
+ATOM ? CG2 . ILE . . 103 111 ? -32.779 -13.648 5.050 1.000 19.380 1 839 1
+ATOM ? CD1 . ILE . . 103 111 ? -35.290 -14.005 3.258 1.000 21.390 1 840 1
+ATOM ? N . GLU . . 104 112 ? -29.838 -14.245 3.428 1.000 21.780 1 841 1
+ATOM ? CA . GLU . . 104 112 ? -28.568 -14.668 4.009 1.000 22.320 1 842 1
+ATOM ? C . GLU . . 104 112 ? -27.380 -14.117 3.236 1.000 23.530 1 843 1
+ATOM ? O . GLU . . 104 112 ? -27.504 -13.725 2.067 1.000 22.800 1 844 1
+ATOM ? CB . GLU . . 104 112 ? -28.490 -16.196 4.069 1.000 21.270 1 845 1
+ATOM ? CG . GLU . . 104 112 ? -28.225 -16.885 2.729 1.000 22.400 1 846 1
+ATOM ? CD . GLU . . 104 112 ? -27.849 -18.348 2.887 1.000 20.580 1 847 1
+ATOM ? OE1 . GLU . . 104 112 ? -28.748 -19.211 2.811 1.000 17.810 1 848 1
+ATOM ? OE2 . GLU . . 104 112 ? -26.649 -18.629 3.087 1.000 22.500 1 849 1
+ATOM ? N . LYS . . 105 113 ? -26.236 -14.054 3.914 1.000 21.220 1 850 1
+ATOM ? CA . LYS . . 105 113 ? -24.988 -13.594 3.323 1.000 22.850 1 851 1
+ATOM ? C . LYS . . 105 113 ? -23.954 -14.687 3.606 1.000 24.760 1 852 1
+ATOM ? O . LYS . . 105 113 ? -23.853 -15.190 4.736 1.000 23.990 1 853 1
+ATOM ? CB . LYS . . 105 113 ? -24.521 -12.278 3.961 1.000 26.040 1 854 1
+ATOM ? CG . LYS . . 105 113 ? -25.436 -11.089 3.707 1.000 33.350 1 855 1
+ATOM ? CD . LYS . . 105 113 ? -25.502 -10.731 2.227 1.000 37.650 1 856 1
+ATOM ? CE . LYS . . 105 113 ? -26.873 -10.151 1.875 1.000 43.020 1 857 1
+ATOM ? NZ . LYS . . 105 113 ? -26.784 -8.916 1.039 1.000 46.270 1 858 1
+ATOM ? N . ILE . . 106 114 ? -23.200 -15.053 2.578 1.000 22.600 1 859 1
+ATOM ? CA . ILE . . 106 114 ? -22.176 -16.078 2.689 1.000 23.640 1 860 1
+ATOM ? C . ILE . . 106 114 ? -20.831 -15.369 2.639 1.000 25.510 1 861 1
+ATOM ? O . ILE . . 106 114 ? -20.615 -14.496 1.798 1.000 25.630 1 862 1
+ATOM ? CB . ILE . . 106 114 ? -22.291 -17.079 1.523 1.000 24.490 1 863 1
+ATOM ? CG1 . ILE . . 106 114 ? -23.708 -17.661 1.505 1.000 24.360 1 864 1
+ATOM ? CG2 . ILE . . 106 114 ? -21.246 -18.186 1.662 1.000 25.960 1 865 1
+ATOM ? CD1 . ILE . . 106 114 ? -23.960 -18.729 0.442 1.000 26.420 1 866 1
+ATOM ? N . SER . . 107 115 ? -19.929 -15.714 3.549 1.000 24.800 1 867 1
+ATOM ? CA . SER . . 107 115 ? -18.624 -15.069 3.552 1.000 27.340 1 868 1
+ATOM ? C . SER . . 107 115 ? -17.503 -16.077 3.582 1.000 27.580 1 869 1
+ATOM ? O . SER . . 107 115 ? -17.677 -17.213 4.032 1.000 25.730 1 870 1
+ATOM ? CB . SER . . 107 115 ? -18.466 -14.144 4.761 1.000 30.350 1 871 1
+ATOM ? OG . SER . . 107 115 ? -19.549 -13.241 4.867 1.000 36.320 1 872 1
+ATOM ? N . MET . . 108 116 ? -16.351 -15.647 3.087 1.000 29.540 1 873 1
+ATOM ? CA . MET . . 108 116 ? -15.167 -16.477 3.079 1.000 31.090 1 874 1
+ATOM ? C . MET . . 108 116 ? -14.357 -16.025 4.278 1.000 30.180 1 875 1
+ATOM ? O . MET . . 108 116 ? -14.537 -14.906 4.770 1.000 28.640 1 876 1
+ATOM ? CB . MET . . 108 116 ? -14.369 -16.265 1.799 1.000 35.070 1 877 1
+ATOM ? CG . MET . . 108 116 ? -15.005 -16.905 0.576 1.000 41.480 1 878 1
+ATOM ? SD . MET . . 108 116 ? -14.087 -16.528 -0.926 1.000 48.170 1 879 1
+ATOM ? CE . MET . . 108 116 ? -14.028 -14.722 -0.848 1.000 47.750 1 880 1
+ATOM ? N . LEU . . 109 117 ? -13.472 -16.898 4.743 1.000 28.790 1 881 1
+ATOM ? CA . LEU . . 109 117 ? -12.639 -16.603 5.895 1.000 28.580 1 882 1
+ATOM ? C . LEU . . 109 117 ? -11.265 -16.129 5.487 1.000 27.530 1 883 1
+ATOM ? O . LEU . . 109 117 ? -10.664 -16.668 4.560 1.000 28.530 1 884 1
+ATOM ? CB . LEU . . 109 117 ? -12.494 -17.853 6.767 1.000 28.220 1 885 1
+ATOM ? CG . LEU . . 109 117 ? -13.769 -18.353 7.438 1.000 28.890 1 886 1
+ATOM ? CD1 . LEU . . 109 117 ? -13.441 -19.557 8.307 1.000 33.460 1 887 1
+ATOM ? CD2 . LEU . . 109 117 ? -14.378 -17.232 8.269 1.000 28.350 1 888 1
+ATOM ? N . GLU . . 110 118 ? -10.766 -15.121 6.188 1.000 27.070 1 889 1
+ATOM ? CA . GLU . . 110 118 ? -9.438 -14.606 5.915 1.000 28.360 1 890 1
+ATOM ? C . GLU . . 110 118 ? -8.448 -15.357 6.800 1.000 29.110 1 891 1
+ATOM ? O . GLU . . 110 118 ? -7.404 -15.815 6.335 1.000 26.930 1 892 1
+ATOM ? CB . GLU . . 110 118 ? -9.370 -13.117 6.217 1.000 30.660 1 893 1
+ATOM ? CG . GLU . . 110 118 ? -8.028 -12.504 5.890 1.000 38.590 1 894 1
+ATOM ? CD . GLU . . 110 118 ? -7.813 -11.189 6.594 1.000 43.040 1 895 1
+ATOM ? OE1 . GLU . . 110 118 ? -6.652 -10.746 6.694 1.000 48.380 1 896 1
+ATOM ? OE2 . GLU . . 110 118 ? -8.807 -10.592 7.052 1.000 49.900 1 897 1
+ATOM ? N . LYS . . 111 119 ? -8.780 -15.485 8.082 1.000 29.400 1 898 1
+ATOM ? CA . LYS . . 111 119 ? -7.911 -16.188 9.016 1.000 29.470 1 899 1
+ATOM ? C . LYS . . 111 119 ? -8.674 -16.785 10.186 1.000 28.020 1 900 1
+ATOM ? O . LYS . . 111 119 ? -9.722 -16.278 10.595 1.000 28.860 1 901 1
+ATOM ? CB . LYS . . 111 119 ? -6.828 -15.252 9.547 1.000 30.100 1 902 1
+ATOM ? CG . LYS . . 111 119 ? -5.519 -15.963 9.883 1.000 31.430 1 903 1
+ATOM ? CD . LYS . . 111 119 ? -4.758 -16.348 8.625 1.000 31.070 1 904 1
+ATOM ? CE . LYS . . 111 119 ? -4.368 -15.119 7.822 1.000 31.210 1 905 1
+ATOM ? NZ . LYS . . 111 119 ? -3.454 -15.455 6.699 1.000 31.160 1 906 1
+ATOM ? N . ILE . . 112 120 ? -8.132 -17.874 10.712 1.000 26.990 1 907 1
+ATOM ? CA . ILE . . 112 120 ? -8.713 -18.577 11.846 1.000 25.430 1 908 1
+ATOM ? C . ILE . . 112 120 ? -7.717 -18.520 13.005 1.000 25.020 1 909 1
+ATOM ? O . ILE . . 112 120 ? -6.522 -18.731 12.812 1.000 24.710 1 910 1
+ATOM ? CB . ILE . . 112 120 ? -8.961 -20.058 11.507 1.000 26.270 1 911 1
+ATOM ? CG1 . ILE . . 112 120 ? -10.212 -20.197 10.650 1.000 27.060 1 912 1
+ATOM ? CG2 . ILE . . 112 120 ? -9.114 -20.878 12.791 1.000 27.670 1 913 1
+ATOM ? CD1 . ILE . . 112 120 ? -10.482 -21.629 10.223 1.000 30.840 1 914 1
+ATOM ? N . TYR . . 113 121 ? -8.209 -18.227 14.201 1.000 25.440 1 915 1
+ATOM ? CA . TYR . . 113 121 ? -7.355 -18.169 15.379 1.000 25.330 1 916 1
+ATOM ? C . TYR . . 113 121 ? -7.915 -19.098 16.436 1.000 23.270 1 917 1
+ATOM ? O . TYR . . 113 121 ? -9.054 -18.947 16.867 1.000 24.520 1 918 1
+ATOM ? CB . TYR . . 113 121 ? -7.285 -16.751 15.943 1.000 26.460 1 919 1
+ATOM ? CG . TYR . . 113 121 ? -6.717 -15.744 14.972 1.000 31.900 1 920 1
+ATOM ? CD1 . TYR . . 113 121 ? -7.550 -15.053 14.094 1.000 32.580 1 921 1
+ATOM ? CD2 . TYR . . 113 121 ? -5.346 -15.505 14.907 1.000 31.480 1 922 1
+ATOM ? CE1 . TYR . . 113 121 ? -7.034 -14.154 13.173 1.000 35.900 1 923 1
+ATOM ? CE2 . TYR . . 113 121 ? -4.818 -14.606 13.987 1.000 33.940 1 924 1
+ATOM ? CZ . TYR . . 113 121 ? -5.669 -13.939 13.122 1.000 35.250 1 925 1
+ATOM ? OH . TYR . . 113 121 ? -5.160 -13.082 12.180 1.000 41.140 1 926 1
+ATOM ? N . ILE . . 114 122 ? -7.099 -20.058 16.849 1.000 22.880 1 927 1
+ATOM ? CA . ILE . . 114 122 ? -7.490 -21.021 17.863 1.000 20.980 1 928 1
+ATOM ? C . ILE . . 114 122 ? -6.688 -20.727 19.127 1.000 20.460 1 929 1
+ATOM ? O . ILE . . 114 122 ? -5.506 -20.416 19.054 1.000 18.940 1 930 1
+ATOM ? CB . ILE . . 114 122 ? -7.223 -22.458 17.365 1.000 21.490 1 931 1
+ATOM ? CG1 . ILE . . 114 122 ? -8.266 -22.813 16.295 1.000 24.660 1 932 1
+ATOM ? CG2 . ILE . . 114 122 ? -7.305 -23.450 18.528 1.000 21.000 1 933 1
+ATOM ? CD1 . ILE . . 114 122 ? -7.854 -23.921 15.357 1.000 24.480 1 934 1
+ATOM ? N . HIS . . 115 123 ? -7.325 -20.814 20.287 1.000 21.060 1 935 1
+ATOM ? CA . HIS . . 115 123 ? -6.615 -20.524 21.528 1.000 21.620 1 936 1
+ATOM ? C . HIS . . 115 123 ? -5.337 -21.351 21.646 1.000 21.430 1 937 1
+ATOM ? O . HIS . . 115 123 ? -5.365 -22.565 21.500 1.000 19.210 1 938 1
+ATOM ? CB . HIS . . 115 123 ? -7.499 -20.785 22.741 1.000 20.770 1 939 1
+ATOM ? CG . HIS . . 115 123 ? -6.974 -20.155 23.995 1.000 25.050 1 940 1
+ATOM ? ND1 . HIS . . 115 123 ? -5.885 -20.658 24.677 1.000 22.680 1 941 1
+ATOM ? CD2 . HIS . . 115 123 ? -7.347 -19.035 24.655 1.000 22.890 1 942 1
+ATOM ? CE1 . HIS . . 115 123 ? -5.610 -19.871 25.702 1.000 24.320 1 943 1
+ATOM ? NE2 . HIS . . 115 123 ? -6.481 -18.879 25.712 1.000 25.260 1 944 1
+ATOM ? N . PRO . . 116 124 ? -4.196 -20.693 21.906 1.000 21.640 1 945 1
+ATOM ? CA . PRO . . 116 124 ? -2.919 -21.397 22.037 1.000 21.860 1 946 1
+ATOM ? C . PRO . . 116 124 ? -2.918 -22.517 23.084 1.000 21.270 1 947 1
+ATOM ? O . PRO . . 116 124 ? -2.123 -23.442 22.997 1.000 21.780 1 948 1
+ATOM ? CB . PRO . . 116 124 ? -1.923 -20.284 22.382 1.000 23.900 1 949 1
+ATOM ? CG . PRO . . 116 124 ? -2.759 -19.147 22.866 1.000 25.410 1 950 1
+ATOM ? CD . PRO . . 116 124 ? -4.040 -19.242 22.095 1.000 23.230 1 951 1
+ATOM ? N . ARG . . 117 125 ? -3.820 -22.447 24.056 1.000 18.610 1 952 1
+ATOM ? CA . ARG . . 117 125 ? -3.868 -23.460 25.100 1.000 21.390 1 953 1
+ATOM ? C . ARG . . 117 125 ? -5.128 -24.329 25.080 1.000 20.900 1 954 1
+ATOM ? O . ARG . . 117 125 ? -5.517 -24.921 26.094 1.000 19.720 1 955 1
+ATOM ? CB . ARG . . 117 125 ? -3.685 -22.788 26.461 1.000 22.100 1 956 1
+ATOM ? CG . ARG . . 117 125 ? -2.338 -22.075 26.579 1.000 28.490 1 957 1
+ATOM ? CD . ARG . . 117 125 ? -1.613 -22.453 27.865 1.000 32.320 1 958 1
+ATOM ? NE . ARG . . 117 125 ? -2.127 -21.693 28.995 1.000 35.550 1 959 1
+ATOM ? CZ . ARG . . 117 125 ? -2.140 -22.126 30.254 1.000 37.270 1 960 1
+ATOM ? NH1 . ARG . . 117 125 ? -1.662 -23.325 30.566 1.000 35.230 1 961 1
+ATOM ? NH2 . ARG . . 117 125 ? -2.648 -21.355 31.203 1.000 38.510 1 962 1
+ATOM ? N . TYR . . 118 126 ? -5.759 -24.399 23.910 1.000 19.910 1 963 1
+ATOM ? CA . TYR . . 118 126 ? -6.936 -25.233 23.710 1.000 16.870 1 964 1
+ATOM ? C . TYR . . 118 126 ? -6.467 -26.672 24.016 1.000 16.280 1 965 1
+ATOM ? O . TYR . . 118 126 ? -5.551 -27.183 23.378 1.000 17.700 1 966 1
+ATOM ? CB . TYR . . 118 126 ? -7.391 -25.081 22.251 1.000 17.790 1 967 1
+ATOM ? CG . TYR . . 118 126 ? -8.263 -26.195 21.703 1.000 13.560 1 968 1
+ATOM ? CD1 . TYR . . 118 126 ? -9.396 -26.637 22.391 1.000 11.760 1 969 1
+ATOM ? CD2 . TYR . . 118 126 ? -7.971 -26.777 20.470 1.000 13.890 1 970 1
+ATOM ? CE1 . TYR . . 118 126 ? -10.216 -27.636 21.860 1.000 13.380 1 971 1
+ATOM ? CE2 . TYR . . 118 126 ? -8.782 -27.773 19.935 1.000 10.680 1 972 1
+ATOM ? CZ . TYR . . 118 126 ? -9.894 -28.194 20.629 1.000 11.100 1 973 1
+ATOM ? OH . TYR . . 118 126 ? -10.678 -29.183 20.087 1.000 14.200 1 974 1
+ATOM ? N . ASN . . 119 127 ? -7.084 -27.309 25.004 1.000 18.700 1 975 1
+ATOM ? CA . ASN . . 119 127 ? -6.694 -28.666 25.404 1.000 19.570 1 976 1
+ATOM ? C . ASN . . 119 127 ? -7.570 -29.767 24.793 1.000 18.390 1 977 1
+ATOM ? O . ASN . . 119 127 ? -8.470 -30.286 25.452 1.000 20.640 1 978 1
+ATOM ? CB . ASN . . 119 127 ? -6.730 -28.764 26.936 1.000 20.010 1 979 1
+ATOM ? CG . ASN . . 119 127 ? -6.047 -30.022 27.466 1.000 24.870 1 980 1
+ATOM ? OD1 . ASN . . 119 127 ? -5.593 -30.872 26.698 1.000 25.520 1 981 1
+ATOM ? ND2 . ASN . . 119 127 ? -5.977 -30.142 28.788 1.000 23.530 1 982 1
+ATOM ? N . TRP . . 120 128 ? -7.290 -30.137 23.545 1.000 19.380 1 983 1
+ATOM ? CA . TRP . . 120 128 ? -8.077 -31.168 22.867 1.000 21.240 1 984 1
+ATOM ? C . TRP . . 120 128 ? -7.756 -32.592 23.317 1.000 24.190 1 985 1
+ATOM ? O . TRP . . 120 128 ? -8.589 -33.487 23.192 1.000 24.580 1 986 1
+ATOM ? CB . TRP . . 120 128 ? -7.898 -31.069 21.340 1.000 18.950 1 987 1
+ATOM ? CG . TRP . . 120 128 ? -6.469 -31.088 20.852 1.000 18.840 1 988 1
+ATOM ? CD1 . TRP . . 120 128 ? -5.680 -30.003 20.586 1.000 18.090 1 989 1
+ATOM ? CD2 . TRP . . 120 128 ? -5.668 -32.248 20.557 1.000 17.580 1 990 1
+ATOM ? NE1 . TRP . . 120 128 ? -4.443 -30.413 20.147 1.000 19.570 1 991 1
+ATOM ? CE2 . TRP . . 120 128 ? -4.408 -31.787 20.118 1.000 19.540 1 992 1
+ATOM ? CE3 . TRP . . 120 128 ? -5.896 -33.634 20.621 1.000 18.650 1 993 1
+ATOM ? CZ2 . TRP . . 120 128 ? -3.370 -32.660 19.743 1.000 19.550 1 994 1
+ATOM ? CZ3 . TRP . . 120 128 ? -4.867 -34.506 20.247 1.000 17.480 1 995 1
+ATOM ? CH2 . TRP . . 120 128 ? -3.620 -34.012 19.816 1.000 19.360 1 996 1
+ATOM ? N . ARG . . 121 129 ? -6.560 -32.801 23.855 1.000 25.170 1 997 1
+ATOM ? CA . ARG . . 121 129 ? -6.160 -34.137 24.290 1.000 28.920 1 998 1
+ATOM ? C . ARG . . 121 129 ? -6.934 -34.658 25.478 1.000 29.390 1 999 1
+ATOM ? O . ARG . . 121 129 ? -7.079 -35.867 25.639 1.000 30.910 1 1000 1
+ATOM ? CB . ARG . . 121 129 ? -4.674 -34.176 24.644 1.000 29.320 1 1001 1
+ATOM ? CG . ARG . . 121 129 ? -3.772 -33.505 23.648 1.000 32.100 1 1002 1
+ATOM ? CD . ARG . . 121 129 ? -2.330 -33.692 24.052 1.000 37.940 1 1003 1
+ATOM ? NE . ARG . . 121 129 ? -1.712 -34.739 23.258 1.000 42.900 1 1004 1
+ATOM ? CZ . ARG . . 121 129 ? -0.904 -34.505 22.235 1.000 46.030 1 1005 1
+ATOM ? NH1 . ARG . . 121 129 ? -0.618 -33.255 21.887 1.000 46.930 1 1006 1
+ATOM ? NH2 . ARG . . 121 129 ? -0.400 -35.516 21.546 1.000 47.800 1 1007 1
+ATOM ? N . GLU . . 122 130 ? -7.452 -33.763 26.306 1.000 29.230 1 1008 1
+ATOM ? CA . GLU . . 122 130 ? -8.153 -34.225 27.488 1.000 29.280 1 1009 1
+ATOM ? C . GLU . . 122 130 ? -9.603 -33.801 27.733 1.000 28.120 1 1010 1
+ATOM ? O . GLU . . 122 130 ? -10.502 -34.638 27.691 1.000 28.930 1 1011 1
+ATOM ? CB . GLU . . 122 130 ? -7.315 -33.884 28.727 1.000 31.210 1 1012 1
+ATOM ? CG . GLU . . 122 130 ? -7.861 -34.453 30.024 1.000 35.420 1 1013 1
+ATOM ? CD . GLU . . 122 130 ? -7.551 -33.568 31.221 1.000 40.270 1 1014 1
+ATOM ? OE1 . GLU . . 122 130 ? -6.649 -32.707 31.104 1.000 40.630 1 1015 1
+ATOM ? OE2 . GLU . . 122 130 ? -8.211 -33.729 32.274 1.000 40.560 1 1016 1
+ATOM ? N . ASN . . 123 131 ? -9.844 -32.517 27.989 1.000 24.000 1 1017 1
+ATOM ? CA . ASN . . 123 131 ? -11.199 -32.080 28.313 1.000 20.440 1 1018 1
+ATOM ? C . ASN . . 123 131 ? -11.765 -30.878 27.539 1.000 19.240 1 1019 1
+ATOM ? O . ASN . . 123 131 ? -12.792 -30.321 27.932 1.000 21.660 1 1020 1
+ATOM ? CB . ASN . . 123 131 ? -11.253 -31.774 29.811 1.000 18.030 1 1021 1
+ATOM ? CG . ASN . . 123 131 ? -10.203 -30.767 30.224 1.000 19.490 1 1022 1
+ATOM ? OD1 . ASN . . 123 131 ? -9.434 -30.278 29.387 1.000 17.960 1 1023 1
+ATOM ? ND2 . ASN . . 123 131 ? -10.160 -30.447 31.511 1.000 19.210 1 1024 1
+ATOM ? N . LEU . . 124 132 ? -11.102 -30.483 26.457 1.000 19.900 1 1025 1
+ATOM ? CA . LEU . . 124 132 ? -11.546 -29.348 25.645 1.000 21.480 1 1026 1
+ATOM ? C . LEU . . 124 132 ? -11.478 -28.019 26.407 1.000 21.610 1 1027 1
+ATOM ? O . LEU . . 124 132 ? -12.238 -27.089 26.122 1.000 24.000 1 1028 1
+ATOM ? CB . LEU . . 124 132 ? -12.980 -29.568 25.142 1.000 19.080 1 1029 1
+ATOM ? CG . LEU . . 124 132 ? -13.214 -30.533 23.978 1.000 23.320 1 1030 1
+ATOM ? CD1 . LEU . . 124 132 ? -14.475 -30.106 23.211 1.000 24.490 1 1031 1
+ATOM ? CD2 . LEU . . 124 132 ? -12.008 -30.571 23.067 1.000 21.790 1 1032 1
+ATOM ? N . ASP . . 125 133 ? -10.575 -27.939 27.378 1.000 21.270 1 1033 1
+ATOM ? CA . ASP . . 125 133 ? -10.388 -26.724 28.172 1.000 19.350 1 1034 1
+ATOM ? C . ASP . . 125 133 ? -10.029 -25.598 27.192 1.000 18.370 1 1035 1
+ATOM ? O . ASP . . 125 133 ? -9.205 -25.793 26.301 1.000 16.130 1 1036 1
+ATOM ? CB . ASP . . 125 133 ? -9.253 -26.947 29.178 1.000 19.710 1 1037 1
+ATOM ? CG . ASP . . 125 133 ? -9.086 -25.789 30.148 1.000 20.580 1 1038 1
+ATOM ? OD1 . ASP . . 125 133 ? -7.933 -25.503 30.513 1.000 22.530 1 1039 1
+ATOM ? OD2 . ASP . . 125 133 ? -10.097 -25.165 30.537 1.000 20.870 1 1040 1
+ATOM ? N . ARG . . 126 134 ? -10.660 -24.439 27.354 1.000 16.960 1 1041 1
+ATOM ? CA . ARG . . 126 134 ? -10.422 -23.294 26.472 1.000 16.410 1 1042 1
+ATOM ? C . ARG . . 126 134 ? -10.807 -23.618 25.027 1.000 11.430 1 1043 1
+ATOM ? O . ARG . . 126 134 ? -10.047 -23.364 24.096 1.000 10.750 1 1044 1
+ATOM ? CB . ARG . . 126 134 ? -8.955 -22.867 26.537 1.000 21.320 1 1045 1
+ATOM ? CG . ARG . . 126 134 ? -8.560 -22.279 27.871 1.000 29.870 1 1046 1
+ATOM ? CD . ARG . . 126 134 ? -7.115 -21.816 27.849 1.000 34.780 1 1047 1
+ATOM ? NE . ARG . . 126 134 ? -6.329 -22.507 28.861 1.000 41.140 1 1048 1
+ATOM ? CZ . ARG . . 126 134 ? -6.133 -22.056 30.094 1.000 42.980 1 1049 1
+ATOM ? NH1 . ARG . . 126 134 ? -6.669 -20.902 30.476 1.000 43.610 1 1050 1
+ATOM ? NH2 . ARG . . 126 134 ? -5.411 -22.768 30.950 1.000 44.150 1 1051 1
+ATOM ? N . ASP . . 127 135 ? -11.995 -24.186 24.865 1.000 11.140 1 1052 1
+ATOM ? CA . ASP . . 127 135 ? -12.532 -24.564 23.562 1.000 13.030 1 1053 1
+ATOM ? C . ASP . . 127 135 ? -13.074 -23.279 22.901 1.000 12.140 1 1054 1
+ATOM ? O . ASP . . 127 135 ? -14.266 -22.969 23.000 1.000 12.140 1 1055 1
+ATOM ? CB . ASP . . 127 135 ? -13.652 -25.581 23.786 1.000 11.360 1 1056 1
+ATOM ? CG . ASP . . 127 135 ? -14.208 -26.150 22.490 1.000 13.510 1 1057 1
+ATOM ? OD1 . ASP . . 127 135 ? -13.572 -25.981 21.436 1.000 14.960 1 1058 1
+ATOM ? OD2 . ASP . . 127 135 ? -15.293 -26.761 22.542 1.000 12.520 1 1059 1
+ATOM ? N . ILE . . 128 136 ? -12.191 -22.530 22.251 1.000 12.650 1 1060 1
+ATOM ? CA . ILE . . 128 136 ? -12.588 -21.270 21.627 1.000 14.960 1 1061 1
+ATOM ? C . ILE . . 128 136 ? -11.737 -20.905 20.421 1.000 15.380 1 1062 1
+ATOM ? O . ILE . . 128 136 ? -10.529 -21.139 20.392 1.000 16.360 1 1063 1
+ATOM ? CB . ILE . . 128 136 ? -12.509 -20.103 22.650 1.000 13.890 1 1064 1
+ATOM ? CG1 . ILE . . 128 136 ? -13.261 -18.877 22.121 1.000 15.440 1 1065 1
+ATOM ? CG2 . ILE . . 128 136 ? -11.046 -19.724 22.904 1.000 12.760 1 1066 1
+ATOM ? CD1 . ILE . . 128 136 ? -13.531 -17.811 23.194 1.000 12.720 1 1067 1
+ATOM ? N . ALA . . 129 137 ? -12.380 -20.317 19.418 1.000 16.450 1 1068 1
+ATOM ? CA . ALA . . 129 137 ? -11.692 -19.902 18.210 1.000 16.400 1 1069 1
+ATOM ? C . ALA . . 129 137 ? -12.352 -18.655 17.650 1.000 18.800 1 1070 1
+ATOM ? O . ALA . . 129 137 ? -13.529 -18.404 17.884 1.000 16.920 1 1071 1
+ATOM ? CB . ALA . . 129 137 ? -11.732 -21.012 17.172 1.000 17.010 1 1072 1
+ATOM ? N . LEU . . 130 138 ? -11.567 -17.879 16.914 1.000 19.980 1 1073 1
+ATOM ? CA . LEU . . 130 138 ? -12.041 -16.660 16.280 1.000 21.000 1 1074 1
+ATOM ? C . LEU . . 130 138 ? -11.797 -16.815 14.785 1.000 20.940 1 1075 1
+ATOM ? O . LEU . . 130 138 ? -10.828 -17.465 14.369 1.000 20.510 1 1076 1
+ATOM ? CB . LEU . . 130 138 ? -11.256 -15.455 16.808 1.000 20.760 1 1077 1
+ATOM ? CG . LEU . . 130 138 ? -11.807 -14.890 18.114 1.000 21.780 1 1078 1
+ATOM ? CD1 . LEU . . 130 138 ? -10.805 -13.912 18.724 1.000 21.420 1 1079 1
+ATOM ? CD2 . LEU . . 130 138 ? -13.132 -14.204 17.835 1.000 23.720 1 1080 1
+ATOM ? N . MET . . 131 139 ? -12.681 -16.243 13.979 1.000 20.220 1 1081 1
+ATOM ? CA . MET . . 131 139 ? -12.520 -16.310 12.534 1.000 22.170 1 1082 1
+ATOM ? C . MET . . 131 139 ? -12.690 -14.908 11.969 1.000 21.560 1 1083 1
+ATOM ? O . MET . . 131 139 ? -13.626 -14.199 12.319 1.000 21.440 1 1084 1
+ATOM ? CB . MET . . 131 139 ? -13.550 -17.264 11.918 1.000 23.410 1 1085 1
+ATOM ? CG . MET . . 131 139 ? -13.498 -18.665 12.505 1.000 24.740 1 1086 1
+ATOM ? SD . MET . . 131 139 ? -14.687 -19.801 11.782 1.000 28.610 1 1087 1
+ATOM ? CE . MET . . 131 139 ? -16.133 -19.374 12.662 1.000 25.450 1 1088 1
+ATOM ? N . LYS . . 132 140 ? -11.764 -14.504 11.113 1.000 22.890 1 1089 1
+ATOM ? CA . LYS . . 132 140 ? -11.832 -13.184 10.514 1.000 24.540 1 1090 1
+ATOM ? C . LYS . . 132 140 ? -12.401 -13.314 9.115 1.000 25.370 1 1091 1
+ATOM ? O . LYS . . 132 140 ? -11.857 -14.045 8.288 1.000 22.400 1 1092 1
+ATOM ? CB . LYS . . 132 140 ? -10.447 -12.548 10.434 1.000 25.570 1 1093 1
+ATOM ? CG . LYS . . 132 140 ? -10.490 -11.048 10.170 1.000 29.100 1 1094 1
+ATOM ? CD . LYS . . 132 140 ? -9.103 -10.495 9.932 1.000 33.060 1 1095 1
+ATOM ? CE . LYS . . 132 140 ? -9.062 -8.998 10.209 1.000 38.780 1 1096 1
+ATOM ? NZ . LYS . . 132 140 ? -8.402 -8.237 9.106 1.000 40.240 1 1097 1
+ATOM ? N . LEU . . 133 141 ? -13.495 -12.602 8.859 1.000 25.110 1 1098 1
+ATOM ? CA . LEU . . 133 141 ? -14.135 -12.638 7.552 1.000 26.300 1 1099 1
+ATOM ? C . LEU . . 133 141 ? -13.300 -11.865 6.549 1.000 26.550 1 1100 1
+ATOM ? O . LEU . . 133 141 ? -12.627 -10.905 6.906 1.000 26.170 1 1101 1
+ATOM ? CB . LEU . . 133 141 ? -15.534 -12.024 7.633 1.000 26.820 1 1102 1
+ATOM ? CG . LEU . . 133 141 ? -16.511 -12.658 8.628 1.000 26.240 1 1103 1
+ATOM ? CD1 . LEU . . 133 141 ? -17.889 -12.036 8.465 1.000 24.990 1 1104 1
+ATOM ? CD2 . LEU . . 133 141 ? -16.575 -14.155 8.390 1.000 27.390 1 1105 1
+ATOM ? N . LYS . . 134 142 ? -13.346 -12.288 5.293 1.000 28.750 1 1106 1
+ATOM ? CA . LYS . . 134 142 ? -12.598 -11.608 4.250 1.000 32.220 1 1107 1
+ATOM ? C . LYS . . 134 142 ? -13.055 -10.154 4.118 1.000 32.230 1 1108 1
+ATOM ? O . LYS . . 134 142 ? -12.234 -9.252 3.975 1.000 33.330 1 1109 1
+ATOM ? CB . LYS . . 134 142 ? -12.774 -12.336 2.921 1.000 35.300 1 1110 1
+ATOM ? CG . LYS . . 134 142 ? -11.536 -12.302 2.058 1.000 38.760 1 1111 1
+ATOM ? CD . LYS . . 134 142 ? -11.382 -13.593 1.288 1.000 41.080 1 1112 1
+ATOM ? CE . LYS . . 134 142 ? -10.076 -14.271 1.639 1.000 43.890 1 1113 1
+ATOM ? NZ . LYS . . 134 142 ? -9.529 -15.030 0.483 1.000 46.870 1 1114 1
+ATOM ? N . LYS . . 135 143 ? -14.364 -9.927 4.167 1.000 32.580 1 1115 1
+ATOM ? CA . LYS . . 135 143 ? -14.901 -8.568 4.073 1.000 33.310 1 1116 1
+ATOM ? C . LYS . . 135 143 ? -16.059 -8.425 5.043 1.000 31.760 1 1117 1
+ATOM ? O . LYS . . 135 143 ? -16.824 -9.367 5.259 1.000 32.740 1 1118 1
+ATOM ? CB . LYS . . 135 143 ? -15.381 -8.250 2.652 1.000 33.230 1 1119 1
+ATOM ? CG . LYS . . 135 143 ? -15.410 -9.433 1.705 1.000 35.650 1 1120 1
+ATOM ? CD . LYS . . 135 143 ? -16.797 -10.047 1.633 1.000 35.180 1 1121 1
+ATOM ? CE . LYS . . 135 143 ? -16.968 -11.143 2.671 1.000 35.650 1 1122 1
+ATOM ? NZ . LYS . . 135 143 ? -16.634 -12.486 2.119 1.000 35.660 1 1123 1
+ATOM ? N . PRO . . 136 144 ? -16.211 -7.234 5.632 1.000 31.860 1 1124 1
+ATOM ? CA . PRO . . 136 144 ? -17.293 -7.005 6.588 1.000 31.100 1 1125 1
+ATOM ? C . PRO . . 136 144 ? -18.651 -7.316 5.991 1.000 30.000 1 1126 1
+ATOM ? O . PRO . . 136 144 ? -18.871 -7.150 4.794 1.000 32.220 1 1127 1
+ATOM ? CB . PRO . . 136 144 ? -17.155 -5.527 6.955 1.000 31.320 1 1128 1
+ATOM ? CG . PRO . . 136 144 ? -15.764 -5.169 6.599 1.000 33.810 1 1129 1
+ATOM ? CD . PRO . . 136 144 ? -15.402 -6.025 5.417 1.000 32.970 1 1130 1
+ATOM ? N . VAL . . 137 145 ? -19.553 -7.791 6.831 1.000 28.050 1 1131 1
+ATOM ? CA . VAL . . 137 145 ? -20.890 -8.099 6.390 1.000 28.150 1 1132 1
+ATOM ? C . VAL . . 137 145 ? -21.746 -6.904 6.811 1.000 28.120 1 1133 1
+ATOM ? O . VAL . . 137 145 ? -21.512 -6.308 7.867 1.000 27.040 1 1134 1
+ATOM ? CB . VAL . . 137 145 ? -21.397 -9.420 7.046 1.000 29.570 1 1135 1
+ATOM ? CG1 . VAL . . 137 145 ? -21.571 -9.240 8.546 1.000 28.970 1 1136 1
+ATOM ? CG2 . VAL . . 137 145 ? -22.700 -9.860 6.406 1.000 31.880 1 1137 1
+ATOM ? N . ALA . . 138 146 ? -22.710 -6.525 5.975 1.000 26.850 1 1138 1
+ATOM ? CA . ALA . . 138 146 ? -23.586 -5.410 6.311 1.000 24.070 1 1139 1
+ATOM ? C . ALA . . 138 146 ? -24.700 -5.950 7.190 1.000 22.650 1 1140 1
+ATOM ? O . ALA . . 138 146 ? -25.232 -7.033 6.930 1.000 23.600 1 1141 1
+ATOM ? CB . ALA . . 138 146 ? -24.173 -4.784 5.034 1.000 25.110 1 1142 1
+ATOM ? N . PHE . . 139 147 ? -25.052 -5.204 8.231 1.000 20.080 1 1143 1
+ATOM ? CA . PHE . . 139 147 ? -26.112 -5.628 9.127 1.000 20.470 1 1144 1
+ATOM ? C . PHE . . 139 147 ? -27.459 -5.403 8.464 1.000 22.810 1 1145 1
+ATOM ? O . PHE . . 139 147 ? -27.564 -4.629 7.508 1.000 22.460 1 1146 1
+ATOM ? CB . PHE . . 139 147 ? -26.026 -4.862 10.452 1.000 22.100 1 1147 1
+ATOM ? CG . PHE . . 139 147 ? -24.701 -5.020 11.153 1.000 23.560 1 1148 1
+ATOM ? CD1 . PHE . . 139 147 ? -23.915 -6.156 10.934 1.000 23.180 1 1149 1
+ATOM ? CD2 . PHE . . 139 147 ? -24.229 -4.034 12.012 1.000 21.800 1 1150 1
+ATOM ? CE1 . PHE . . 139 147 ? -22.682 -6.305 11.558 1.000 23.290 1 1151 1
+ATOM ? CE2 . PHE . . 139 147 ? -22.994 -4.171 12.645 1.000 22.850 1 1152 1
+ATOM ? CZ . PHE . . 139 147 ? -22.218 -5.307 12.418 1.000 23.730 1 1153 1
+ATOM ? N . SER . . 140 148 ? -28.484 -6.083 8.968 1.000 20.380 1 1154 1
+ATOM ? CA . SER . . 140 148 ? -29.829 -5.974 8.418 1.000 20.630 1 1155 1
+ATOM ? C . SER . . 140 148 ? -30.794 -6.408 9.498 1.000 20.440 1 1156 1
+ATOM ? O . SER . . 140 148 ? -30.402 -6.578 10.647 1.000 18.850 1 1157 1
+ATOM ? CB . SER . . 140 148 ? -29.973 -6.898 7.213 1.000 22.880 1 1158 1
+ATOM ? OG . SER . . 140 148 ? -30.105 -8.241 7.639 1.000 24.320 1 1159 1
+ATOM ? N . ASP . . 141 149 ? -32.054 -6.599 9.134 1.000 18.900 1 1160 1
+ATOM ? CA . ASP . . 141 149 ? -33.041 -7.039 10.099 1.000 17.490 1 1161 1
+ATOM ? C . ASP . . 141 149 ? -32.724 -8.454 10.610 1.000 16.600 1 1162 1
+ATOM ? O . ASP . . 141 149 ? -33.154 -8.840 11.703 1.000 16.830 1 1163 1
+ATOM ? CB . ASP . . 141 149 ? -34.430 -7.069 9.460 1.000 20.270 1 1164 1
+ATOM ? CG . ASP . . 141 149 ? -35.062 -5.681 9.337 1.000 25.320 1 1165 1
+ATOM ? OD1 . ASP . . 141 149 ? -36.079 -5.565 8.626 1.000 26.220 1 1166 1
+ATOM ? OD2 . ASP . . 141 149 ? -34.550 -4.717 9.938 1.000 22.780 1 1167 1
+ATOM ? N . TYR . . 142 150 ? -31.980 -9.209 9.805 1.000 16.720 1 1168 1
+ATOM ? CA . TYR . . 142 150 ? -31.653 -10.604 10.095 1.000 17.800 1 1169 1
+ATOM ? C . TYR . . 142 150 ? -30.214 -10.873 10.530 1.000 17.110 1 1170 1
+ATOM ? O . TYR . . 142 150 ? -29.903 -11.968 11.008 1.000 15.850 1 1171 1
+ATOM ? CB . TYR . . 142 150 ? -31.966 -11.447 8.844 1.000 19.990 1 1172 1
+ATOM ? CG . TYR . . 142 150 ? -33.278 -11.066 8.189 1.000 20.740 1 1173 1
+ATOM ? CD1 . TYR . . 142 150 ? -33.309 -10.281 7.036 1.000 22.120 1 1174 1
+ATOM ? CD2 . TYR . . 142 150 ? -34.484 -11.439 8.759 1.000 19.380 1 1175 1
+ATOM ? CE1 . TYR . . 142 150 ? -34.526 -9.872 6.476 1.000 23.170 1 1176 1
+ATOM ? CE2 . TYR . . 142 150 ? -35.697 -11.041 8.212 1.000 23.730 1 1177 1
+ATOM ? CZ . TYR . . 142 150 ? -35.708 -10.258 7.076 1.000 22.430 1 1178 1
+ATOM ? OH . TYR . . 142 150 ? -36.913 -9.866 6.559 1.000 28.670 1 1179 1
+ATOM ? N . ILE . . 143 151 ? -29.352 -9.880 10.349 1.000 16.440 1 1180 1
+ATOM ? CA . ILE . . 143 151 ? -27.928 -9.978 10.661 1.000 16.040 1 1181 1
+ATOM ? C . ILE . . 143 151 ? -27.562 -8.841 11.622 1.000 18.270 1 1182 1
+ATOM ? O . ILE . . 143 151 ? -27.636 -7.668 11.261 1.000 16.230 1 1183 1
+ATOM ? CB . ILE . . 143 151 ? -27.096 -9.847 9.354 1.000 16.580 1 1184 1
+ATOM ? CG1 . ILE . . 143 151 ? -27.584 -10.895 8.335 1.000 14.580 1 1185 1
+ATOM ? CG2 . ILE . . 143 151 ? -25.598 -9.981 9.654 1.000 13.860 1 1186 1
+ATOM ? CD1 . ILE . . 143 151 ? -26.787 -10.956 7.043 1.000 12.240 1 1187 1
+ATOM ? N . HIS . . 144 152 ? -27.152 -9.194 12.837 1.000 15.530 1 1188 1
+ATOM ? CA . HIS . . 144 152 ? -26.816 -8.206 13.864 1.000 16.060 1 1189 1
+ATOM ? C . HIS . . 144 152 ? -25.962 -8.906 14.935 1.000 16.150 1 1190 1
+ATOM ? O . HIS . . 144 152 ? -26.279 -10.019 15.355 1.000 15.220 1 1191 1
+ATOM ? CB . HIS . . 144 152 ? -28.109 -7.670 14.478 1.000 17.250 1 1192 1
+ATOM ? CG . HIS . . 144 152 ? -27.934 -6.400 15.251 1.000 22.510 1 1193 1
+ATOM ? ND1 . HIS . . 144 152 ? -27.856 -5.163 14.646 1.000 23.080 1 1194 1
+ATOM ? CD2 . HIS . . 144 152 ? -27.812 -6.176 16.582 1.000 24.540 1 1195 1
+ATOM ? CE1 . HIS . . 144 152 ? -27.693 -4.233 15.569 1.000 26.280 1 1196 1
+ATOM ? NE2 . HIS . . 144 152 ? -27.663 -4.823 16.754 1.000 26.440 1 1197 1
+ATOM ? N . PRO . . 145 153 ? -24.898 -8.242 15.417 1.000 17.340 1 1198 1
+ATOM ? CA . PRO . . 145 153 ? -24.028 -8.857 16.424 1.000 15.850 1 1199 1
+ATOM ? C . PRO . . 145 153 ? -24.559 -8.903 17.844 1.000 15.360 1 1200 1
+ATOM ? O . PRO . . 145 153 ? -25.416 -8.102 18.249 1.000 13.240 1 1201 1
+ATOM ? CB . PRO . . 145 153 ? -22.730 -8.055 16.319 1.000 16.800 1 1202 1
+ATOM ? CG . PRO . . 145 153 ? -23.132 -6.724 15.775 1.000 18.820 1 1203 1
+ATOM ? CD . PRO . . 145 153 ? -24.477 -6.868 15.089 1.000 17.310 1 1204 1
+ATOM ? N . VAL . . 146 154 ? -24.040 -9.871 18.595 1.000 13.380 1 1205 1
+ATOM ? CA . VAL . . 146 154 ? -24.411 -10.060 19.988 1.000 11.640 1 1206 1
+ATOM ? C . VAL . . 146 154 ? -23.292 -9.381 20.797 1.000 11.230 1 1207 1
+ATOM ? O . VAL . . 146 154 ? -22.189 -9.191 20.283 1.000 13.380 1 1208 1
+ATOM ? CB . VAL . . 146 154 ? -24.476 -11.586 20.317 1.000 11.370 1 1209 1
+ATOM ? CG1 . VAL . . 146 154 ? -23.077 -12.182 20.224 1.000 7.920 1 1210 1
+ATOM ? CG2 . VAL . . 146 154 ? -25.092 -11.824 21.690 1.000 10.280 1 1211 1
+ATOM ? N . CYS . . 147 155 ? -23.570 -9.011 22.045 1.000 12.860 1 1212 1
+ATOM ? CA . CYS . . 147 155 ? -22.557 -8.374 22.887 1.000 13.070 1 1213 1
+ATOM ? C . CYS . . 147 155 ? -21.693 -9.412 23.615 1.000 13.140 1 1214 1
+ATOM ? O . CYS . . 147 155 ? -22.137 -10.530 23.866 1.000 15.690 1 1215 1
+ATOM ? CB . CYS . . 147 155 ? -23.208 -7.503 23.967 1.000 10.880 1 1216 1
+ATOM ? SG . CYS . . 147 155 ? -24.356 -6.223 23.371 1.000 13.420 1 1217 1
+ATOM ? N . LEU . . 148 156 ? -20.471 -9.019 23.957 1.000 14.800 1 1218 1
+ATOM ? CA . LEU . . 148 156 ? -19.560 -9.870 24.721 1.000 15.270 1 1219 1
+ATOM ? C . LEU . . 148 156 ? -19.732 -9.356 26.147 1.000 15.860 1 1220 1
+ATOM ? O . LEU . . 148 156 ? -19.813 -8.152 26.367 1.000 17.320 1 1221 1
+ATOM ? CB . LEU . . 148 156 ? -18.131 -9.683 24.236 1.000 14.750 1 1222 1
+ATOM ? CG . LEU . . 148 156 ? -17.497 -10.803 23.415 1.000 18.030 1 1223 1
+ATOM ? CD1 . LEU . . 148 156 ? -18.543 -11.665 22.745 1.000 18.390 1 1224 1
+ATOM ? CD2 . LEU . . 148 156 ? -16.562 -10.188 22.402 1.000 17.810 1 1225 1
+ATOM ? N . PRO . . 149 157 ? -19.773 -10.252 27.140 1.000 17.000 1 1226 1
+ATOM ? CA . PRO . . 149 157 ? -19.959 -9.762 28.506 1.000 18.310 1 1227 1
+ATOM ? C . PRO . . 149 157 ? -18.769 -9.029 29.136 1.000 20.860 1 1228 1
+ATOM ? O . PRO . . 149 157 ? -17.622 -9.204 28.740 1.000 21.750 1 1229 1
+ATOM ? CB . PRO . . 149 157 ? -20.338 -11.019 29.278 1.000 14.790 1 1230 1
+ATOM ? CG . PRO . . 149 157 ? -19.619 -12.097 28.568 1.000 15.380 1 1231 1
+ATOM ? CD . PRO . . 149 157 ? -19.593 -11.714 27.105 1.000 16.710 1 1232 1
+ATOM ? N . ASP . . 150 158 ? -19.087 -8.181 30.103 1.000 25.120 1 1233 1
+ATOM ? CA . ASP . . 150 158 ? -18.109 -7.418 30.864 1.000 27.710 1 1234 1
+ATOM ? C . ASP . . 150 158 ? -18.078 -8.161 32.202 1.000 27.430 1 1235 1
+ATOM ? O . ASP . . 150 158 ? -18.978 -8.959 32.483 1.000 24.510 1 1236 1
+ATOM ? CB . ASP . . 150 158 ? -18.614 -5.993 31.071 1.000 32.440 1 1237 1
+ATOM ? CG . ASP . . 150 158 ? -20.080 -5.957 31.427 1.000 39.070 1 1238 1
+ATOM ? OD1 . ASP . . 150 158 ? -20.400 -5.992 32.632 1.000 45.190 1 1239 1
+ATOM ? OD2 . ASP . . 150 158 ? -20.917 -5.909 30.503 1.000 46.160 1 1240 1
+ATOM ? N . ARG . . 151 159 ? -17.068 -7.909 33.029 1.000 27.090 1 1241 1
+ATOM ? CA . ARG . . 151 159 ? -16.981 -8.609 34.310 1.000 28.500 1 1242 1
+ATOM ? C . ARG . . 151 159 ? -18.239 -8.527 35.157 1.000 26.100 1 1243 1
+ATOM ? O . ARG . . 151 159 ? -18.643 -9.511 35.772 1.000 26.590 1 1244 1
+ATOM ? CB . ARG . . 151 159 ? -15.804 -8.089 35.138 1.000 33.980 1 1245 1
+ATOM ? CG . ARG . . 151 159 ? -15.436 -9.012 36.296 1.000 40.600 1 1246 1
+ATOM ? CD . ARG . . 151 159 ? -15.764 -8.394 37.642 1.000 48.890 1 1247 1
+ATOM ? NE . ARG . . 151 159 ? -14.564 -7.887 38.307 1.000 54.980 1 1248 1
+ATOM ? CZ . ARG . . 151 159 ? -14.100 -6.647 38.169 1.000 57.900 1 1249 1
+ATOM ? NH1 . ARG . . 151 159 ? -14.733 -5.778 37.388 1.000 59.350 1 1250 1
+ATOM ? NH2 . ARG . . 151 159 ? -13.002 -6.272 38.813 1.000 58.440 1 1251 1
+ATOM ? N . GLU . . 152 160 ? -18.860 -7.354 35.190 1.000 25.570 1 1252 1
+ATOM ? CA . GLU . . 152 160 ? -20.053 -7.154 35.996 1.000 25.620 1 1253 1
+ATOM ? C . GLU . . 152 160 ? -21.253 -7.929 35.473 1.000 25.030 1 1254 1
+ATOM ? O . GLU . . 152 160 ? -22.034 -8.491 36.248 1.000 22.310 1 1255 1
+ATOM ? CB . GLU . . 152 160 ? -20.392 -5.664 36.068 1.000 29.630 1 1256 1
+ATOM ? CG . GLU . . 152 160 ? -19.310 -4.809 36.705 1.000 35.840 1 1257 1
+ATOM ? CD . GLU . . 152 160 ? -18.053 -4.704 35.855 1.000 38.730 1 1258 1
+ATOM ? OE1 . GLU . . 152 160 ? -18.149 -4.274 34.685 1.000 42.970 1 1259 1
+ATOM ? OE2 . GLU . . 152 160 ? -16.965 -5.052 36.360 1.000 41.180 1 1260 1
+ATOM ? N . THR . . 153 161 ? -21.407 -7.962 34.154 1.000 23.710 1 1261 1
+ATOM ? CA . THR . . 153 161 ? -22.529 -8.684 33.580 1.000 24.180 1 1262 1
+ATOM ? C . THR . . 153 161 ? -22.359 -10.175 33.873 1.000 20.580 1 1263 1
+ATOM ? O . THR . . 153 161 ? -23.300 -10.832 34.299 1.000 22.040 1 1264 1
+ATOM ? CB . THR . . 153 161 ? -22.626 -8.435 32.057 1.000 26.650 1 1265 1
+ATOM ? OG1 . THR . . 153 161 ? -22.863 -7.036 31.820 1.000 30.270 1 1266 1
+ATOM ? CG2 . THR . . 153 161 ? -23.770 -9.243 31.460 1.000 25.360 1 1267 1
+ATOM ? N . ALA . . 154 162 ? -21.157 -10.701 33.664 1.000 19.380 1 1268 1
+ATOM ? CA . ALA . . 154 162 ? -20.908 -12.113 33.938 1.000 21.850 1 1269 1
+ATOM ? C . ALA . . 154 162 ? -21.173 -12.441 35.407 1.000 21.370 1 1270 1
+ATOM ? O . ALA . . 154 162 ? -21.828 -13.432 35.718 1.000 21.130 1 1271 1
+ATOM ? CB . ALA . . 154 162 ? -19.465 -12.481 33.576 1.000 21.190 1 1272 1
+ATOM ? N . ALA . . 155 163 ? -20.681 -11.601 36.313 1.000 22.760 1 1273 1
+ATOM ? CA . ALA . . 155 163 ? -20.870 -11.848 37.742 1.000 23.530 1 1274 1
+ATOM ? C . ALA . . 155 163 ? -22.332 -11.851 38.144 1.000 25.090 1 1275 1
+ATOM ? O . ALA . . 155 163 ? -22.765 -12.645 38.980 1.000 27.540 1 1276 1
+ATOM ? CB . ALA . . 155 163 ? -20.113 -10.796 38.566 1.000 24.660 1 1277 1
+ATOM ? N . SER . . 156 164 ? -23.103 -10.965 37.536 1.000 24.180 1 1278 1
+ATOM ? CA . SER . . 156 164 ? -24.511 -10.851 37.856 1.000 23.550 1 1279 1
+ATOM ? C . SER . . 156 164 ? -25.428 -11.913 37.234 1.000 23.560 1 1280 1
+ATOM ? O . SER . . 156 164 ? -26.409 -12.332 37.847 1.000 24.910 1 1281 1
+ATOM ? CB . SER . . 156 164 ? -24.993 -9.457 37.451 1.000 24.940 1 1282 1
+ATOM ? OG . SER . . 156 164 ? -26.333 -9.262 37.849 1.000 33.430 1 1283 1
+ATOM ? N . LEU . . 157 165 ? -25.106 -12.364 36.031 1.000 22.540 1 1284 1
+ATOM ? CA . LEU . . 157 165 ? -25.969 -13.326 35.347 1.000 22.870 1 1285 1
+ATOM ? C . LEU . . 157 165 ? -25.561 -14.790 35.378 1.000 21.830 1 1286 1
+ATOM ? O . LEU . . 157 165 ? -26.405 -15.669 35.213 1.000 24.000 1 1287 1
+ATOM ? CB . LEU . . 157 165 ? -26.144 -12.897 33.888 1.000 23.860 1 1288 1
+ATOM ? CG . LEU . . 157 165 ? -26.898 -11.582 33.667 1.000 25.770 1 1289 1
+ATOM ? CD1 . LEU . . 157 165 ? -26.891 -11.238 32.191 1.000 25.900 1 1290 1
+ATOM ? CD2 . LEU . . 157 165 ? -28.318 -11.714 34.184 1.000 26.790 1 1291 1
+ATOM ? N . LEU . . 158 166 ? -24.277 -15.063 35.560 1.000 21.950 1 1292 1
+ATOM ? CA . LEU . . 158 166 ? -23.815 -16.444 35.583 1.000 23.660 1 1293 1
+ATOM ? C . LEU . . 158 166 ? -24.025 -17.094 36.944 1.000 25.430 1 1294 1
+ATOM ? O . LEU . . 158 166 ? -23.072 -17.348 37.676 1.000 25.630 1 1295 1
+ATOM ? CB . LEU . . 158 166 ? -22.343 -16.506 35.202 1.000 25.490 1 1296 1
+ATOM ? CG . LEU . . 158 166 ? -22.040 -16.829 33.740 1.000 30.110 1 1297 1
+ATOM ? CD1 . LEU . . 158 166 ? -20.556 -17.071 33.591 1.000 31.170 1 1298 1
+ATOM ? CD2 . LEU . . 158 166 ? -22.824 -18.042 33.288 1.000 31.110 1 1299 1
+ATOM ? N . GLN . . 159 167 ? -25.282 -17.364 37.267 1.000 24.760 1 1300 1
+ATOM ? CA . GLN . . 159 167 ? -25.643 -17.972 38.532 1.000 26.610 1 1301 1
+ATOM ? C . GLN . . 159 167 ? -26.543 -19.173 38.293 1.000 26.170 1 1302 1
+ATOM ? O . GLN . . 159 167 ? -27.345 -19.174 37.358 1.000 23.630 1 1303 1
+ATOM ? CB . GLN . . 159 167 ? -26.367 -16.957 39.404 1.000 26.960 1 1304 1
+ATOM ? CG . GLN . . 159 167 ? -25.494 -15.792 39.808 1.000 34.770 1 1305 1
+ATOM ? CD . GLN . . 159 167 ? -26.238 -14.801 40.674 1.000 39.960 1 1306 1
+ATOM ? OE1 . GLN . . 159 167 ? -26.137 -13.588 40.477 1.000 45.270 1 1307 1
+ATOM ? NE2 . GLN . . 159 167 ? -27.000 -15.311 41.638 1.000 42.230 1 1308 1
+ATOM ? N . ALA . . 160 168 ? -26.410 -20.187 39.148 1.000 23.980 1 1309 1
+ATOM ? CA . ALA . . 160 168 ? -27.199 -21.411 39.033 1.000 23.150 1 1310 1
+ATOM ? C . ALA . . 160 168 ? -28.687 -21.115 39.090 1.000 21.710 1 1311 1
+ATOM ? O . ALA . . 160 168 ? -29.133 -20.340 39.930 1.000 21.810 1 1312 1
+ATOM ? CB . ALA . . 160 168 ? -26.819 -22.387 40.147 1.000 22.370 1 1313 1
+ATOM ? N . GLY . . 161 169 ? -29.453 -21.744 38.201 1.000 20.100 1 1314 1
+ATOM ? CA . GLY . . 161 169 ? -30.882 -21.505 38.175 1.000 19.680 1 1315 1
+ATOM ? C . GLY . . 161 169 ? -31.271 -20.479 37.118 1.000 19.690 1 1316 1
+ATOM ? O . GLY . . 161 169 ? -32.368 -20.547 36.557 1.000 21.160 1 1317 1
+ATOM ? N . TYR . . 162 170 ? -30.383 -19.528 36.847 1.000 18.470 1 1318 1
+ATOM ? CA . TYR . . 162 170 ? -30.646 -18.505 35.828 1.000 17.940 1 1319 1
+ATOM ? C . TYR . . 162 170 ? -30.616 -19.190 34.454 1.000 19.100 1 1320 1
+ATOM ? O . TYR . . 162 170 ? -29.707 -19.975 34.172 1.000 16.110 1 1321 1
+ATOM ? CB . TYR . . 162 170 ? -29.574 -17.416 35.877 1.000 18.100 1 1322 1
+ATOM ? CG . TYR . . 162 170 ? -29.733 -16.407 37.000 1.000 20.850 1 1323 1
+ATOM ? CD1 . TYR . . 162 170 ? -30.358 -16.750 38.204 1.000 21.860 1 1324 1
+ATOM ? CD2 . TYR . . 162 170 ? -29.239 -15.105 36.861 1.000 25.060 1 1325 1
+ATOM ? CE1 . TYR . . 162 170 ? -30.484 -15.817 39.243 1.000 24.080 1 1326 1
+ATOM ? CE2 . TYR . . 162 170 ? -29.357 -14.170 37.885 1.000 25.410 1 1327 1
+ATOM ? CZ . TYR . . 162 170 ? -29.979 -14.531 39.073 1.000 27.410 1 1328 1
+ATOM ? OH . TYR . . 162 170 ? -30.085 -13.604 40.090 1.000 26.990 1 1329 1
+ATOM ? N . LYS . . 163 171 ? -31.582 -18.867 33.594 1.000 17.290 1 1330 1
+ATOM ? CA . LYS . . 163 171 ? -31.663 -19.496 32.277 1.000 16.690 1 1331 1
+ATOM ? C . LYS . . 163 171 ? -31.007 -18.734 31.140 1.000 17.270 1 1332 1
+ATOM ? O . LYS . . 163 171 ? -31.006 -17.503 31.105 1.000 15.640 1 1333 1
+ATOM ? CB . LYS . . 163 171 ? -33.124 -19.752 31.908 1.000 18.400 1 1334 1
+ATOM ? CG . LYS . . 163 171 ? -33.748 -20.917 32.640 1.000 19.110 1 1335 1
+ATOM ? CD . LYS . . 163 171 ? -35.248 -20.859 32.561 1.000 19.220 1 1336 1
+ATOM ? CE . LYS . . 163 171 ? -35.867 -22.035 33.292 1.000 20.510 1 1337 1
+ATOM ? NZ . LYS . . 163 171 ? -37.311 -22.140 32.973 1.000 23.150 1 1338 1
+ATOM ? N . GLY . . 164 172 ? -30.445 -19.499 30.212 1.000 13.410 1 1339 1
+ATOM ? CA . GLY . . 164 172 ? -29.809 -18.940 29.041 1.000 12.670 1 1340 1
+ATOM ? C . GLY . . 164 172 ? -30.487 -19.574 27.835 1.000 14.570 1 1341 1
+ATOM ? O . GLY . . 164 172 ? -31.326 -20.459 27.992 1.000 12.840 1 1342 1
+ATOM ? N . ARG . . 165 173 ? -30.120 -19.141 26.634 1.000 13.730 1 1343 1
+ATOM ? CA . ARG . . 165 173 ? -30.742 -19.662 25.429 1.000 13.390 1 1344 1
+ATOM ? C . ARG . . 165 173 ? -29.741 -20.246 24.462 1.000 13.220 1 1345 1
+ATOM ? O . ARG . . 165 173 ? -28.674 -19.666 24.232 1.000 13.110 1 1346 1
+ATOM ? CB . ARG . . 165 173 ? -31.510 -18.534 24.723 1.000 13.580 1 1347 1
+ATOM ? CG . ARG . . 165 173 ? -32.138 -18.914 23.385 1.000 12.340 1 1348 1
+ATOM ? CD . ARG . . 165 173 ? -32.961 -17.739 22.809 1.000 11.000 1 1349 1
+ATOM ? NE . ARG . . 165 173 ? -34.241 -17.569 23.490 1.000 9.040 1 1350 1
+ATOM ? CZ . ARG . . 165 173 ? -35.060 -16.525 23.316 1.000 14.270 1 1351 1
+ATOM ? NH1 . ARG . . 165 173 ? -34.742 -15.540 22.478 1.000 12.930 1 1352 1
+ATOM ? NH2 . ARG . . 165 173 ? -36.208 -16.466 23.978 1.000 12.750 1 1353 1
+ATOM ? N . VAL . . 166 174 ? -30.089 -21.385 23.869 1.000 11.000 1 1354 1
+ATOM ? CA . VAL . . 166 174 ? -29.198 -22.000 22.900 1.000 11.050 1 1355 1
+ATOM ? C . VAL . . 166 174 ? -29.940 -22.174 21.571 1.000 11.670 1 1356 1
+ATOM ? O . VAL . . 166 174 ? -31.110 -22.544 21.548 1.000 12.870 1 1357 1
+ATOM ? CB . VAL . . 166 174 ? -28.679 -23.383 23.397 1.000 12.730 1 1358 1
+ATOM ? CG1 . VAL . . 166 174 ? -27.544 -23.847 22.521 1.000 13.720 1 1359 1
+ATOM ? CG2 . VAL . . 166 174 ? -28.203 -23.277 24.815 1.000 16.500 1 1360 1
+ATOM ? N . THR . . 167 175 ? -29.257 -21.902 20.472 1.000 14.100 1 1361 1
+ATOM ? CA . THR . . 167 175 ? -29.875 -22.027 19.171 1.000 13.410 1 1362 1
+ATOM ? C . THR . . 167 175 ? -28.998 -22.813 18.214 1.000 12.180 1 1363 1
+ATOM ? O . THR . . 167 175 ? -27.769 -22.800 18.318 1.000 10.250 1 1364 1
+ATOM ? CB . THR . . 167 175 ? -30.157 -20.629 18.551 1.000 14.780 1 1365 1
+ATOM ? OG1 . THR . . 167 175 ? -28.965 -19.832 18.578 1.000 13.670 1 1366 1
+ATOM ? CG2 . THR . . 167 175 ? -31.234 -19.923 19.321 1.000 15.000 1 1367 1
+ATOM ? N . GLY . . 168 176 ? -29.632 -23.503 17.270 1.000 12.070 1 1368 1
+ATOM ? CA . GLY . . 168 176 ? -28.864 -24.253 16.295 1.000 10.820 1 1369 1
+ATOM ? C . GLY . . 168 176 ? -29.693 -25.083 15.318 1.000 10.590 1 1370 1
+ATOM ? O . GLY . . 168 176 ? -30.880 -25.273 15.505 1.000 11.540 1 1371 1
+ATOM ? N . TRP . . 169 177 ? -29.033 -25.569 14.276 1.000 13.310 1 1372 1
+ATOM ? CA . TRP . . 169 177 ? -29.655 -26.395 13.239 1.000 17.040 1 1373 1
+ATOM ? C . TRP . . 169 177 ? -29.225 -27.844 13.416 1.000 19.860 1 1374 1
+ATOM ? O . TRP . . 169 177 ? -29.345 -28.648 12.485 1.000 20.960 1 1375 1
+ATOM ? CB . TRP . . 169 177 ? -29.200 -25.925 11.853 1.000 15.600 1 1376 1
+ATOM ? CG . TRP . . 169 177 ? -29.738 -24.581 11.473 1.000 17.130 1 1377 1
+ATOM ? CD1 . TRP . . 169 177 ? -31.013 -24.295 11.083 1.000 18.710 1 1378 1
+ATOM ? CD2 . TRP . . 169 177 ? -29.025 -23.339 11.462 1.000 16.890 1 1379 1
+ATOM ? NE1 . TRP . . 169 177 ? -31.143 -22.954 10.831 1.000 16.610 1 1380 1
+ATOM ? CE2 . TRP . . 169 177 ? -29.940 -22.339 11.056 1.000 17.080 1 1381 1
+ATOM ? CE3 . TRP . . 169 177 ? -27.702 -22.970 11.758 1.000 14.970 1 1382 1
+ATOM ? CZ2 . TRP . . 169 177 ? -29.576 -20.993 10.937 1.000 17.180 1 1383 1
+ATOM ? CZ3 . TRP . . 169 177 ? -27.340 -21.621 11.638 1.000 14.380 1 1384 1
+ATOM ? CH2 . TRP . . 169 177 ? -28.276 -20.653 11.231 1.000 16.850 1 1385 1
+ATOM ? N . GLY . . 170 178 ? -28.716 -28.170 14.603 1.000 20.660 1 1386 1
+ATOM ? CA . GLY . . 170 178 ? -28.252 -29.518 14.876 1.000 20.610 1 1387 1
+ATOM ? C . GLY . . 170 178 ? -29.351 -30.559 14.998 1.000 23.050 1 1388 1
+ATOM ? O . GLY . . 170 178 ? -30.544 -30.243 14.947 1.000 20.030 1 1389 1
+ATOM ? N . ASN . . 171 179 ? -28.936 -31.809 15.180 1.000 22.260 1 1390 1
+ATOM ? CA . ASN . . 171 179 ? -29.860 -32.929 15.309 1.000 24.670 1 1391 1
+ATOM ? C . ASN . . 171 179 ? -30.925 -32.738 16.371 1.000 25.020 1 1392 1
+ATOM ? O . ASN . . 171 179 ? -30.687 -32.108 17.408 1.000 25.400 1 1393 1
+ATOM ? CB . ASN . . 171 179 ? -29.080 -34.209 15.601 1.000 28.270 1 1394 1
+ATOM ? CG . ASN . . 171 179 ? -28.225 -34.631 14.439 1.000 31.230 1 1395 1
+ATOM ? OD1 . ASN . . 171 179 ? -28.281 -34.030 13.366 1.000 34.370 1 1396 1
+ATOM ? ND2 . ASN . . 171 179 ? -27.422 -35.666 14.640 1.000 33.990 1 1397 1
+ATOM ? N . LEU . . 172 180 ? -32.102 -33.304 16.107 1.000 24.240 1 1398 1
+ATOM ? CA . LEU . . 172 180 ? -33.234 -33.210 17.020 1.000 24.350 1 1399 1
+ATOM ? C . LEU . . 172 180 ? -33.239 -34.307 18.080 1.000 24.520 1 1400 1
+ATOM ? O . LEU . . 172 180 ? -34.052 -34.283 18.992 1.000 23.830 1 1401 1
+ATOM ? CB . LEU . . 172 180 ? -34.545 -33.256 16.234 1.000 26.250 1 1402 1
+ATOM ? CG . LEU . . 172 180 ? -34.661 -32.247 15.085 1.000 27.380 1 1403 1
+ATOM ? CD1 . LEU . . 172 180 ? -35.855 -32.619 14.202 1.000 28.580 1 1404 1
+ATOM ? CD2 . LEU . . 172 180 ? -34.823 -30.839 15.654 1.000 26.720 1 1405 1
+ATOM ? N . LYS . . 173 181 ? -32.344 -35.276 17.947 1.000 25.100 1 1406 1
+ATOM ? CA . LYS . . 173 181 ? -32.252 -36.357 18.922 1.000 29.400 1 1407 1
+ATOM ? C . LYS . . 173 181 ? -30.896 -37.024 18.780 1.000 28.180 1 1408 1
+ATOM ? O . LYS . . 173 181 ? -30.289 -36.987 17.709 1.000 26.010 1 1409 1
+ATOM ? CB . LYS . . 173 181 ? -33.376 -37.380 18.719 1.000 33.730 1 1410 1
+ATOM ? CG . LYS . . 173 181 ? -33.718 -37.671 17.271 1.000 39.840 1 1411 1
+ATOM ? CD . LYS . . 173 181 ? -35.032 -38.435 17.171 1.000 45.560 1 1412 1
+ATOM ? CE . LYS . . 173 181 ? -35.263 -38.947 15.752 1.000 48.980 1 1413 1
+ATOM ? NZ . LYS . . 173 181 ? -36.508 -39.765 15.656 1.000 51.570 1 1414 1
+ATOM ? N . GLU . . 174 182 ? -30.413 -37.622 19.863 1.000 29.670 1 1415 1
+ATOM ? CA . GLU . . 174 182 ? -29.106 -38.267 19.837 1.000 33.830 1 1416 1
+ATOM ? C . GLU . . 174 182 ? -28.969 -39.263 18.698 1.000 37.020 1 1417 1
+ATOM ? O . GLU . . 174 182 ? -27.933 -39.327 18.034 1.000 36.840 1 1418 1
+ATOM ? CB . GLU . . 174 182 ? -28.826 -38.977 21.160 1.000 33.010 1 1419 1
+ATOM ? CG . GLU . . 174 182 ? -27.348 -39.204 21.382 1.000 34.090 1 1420 1
+ATOM ? CD . GLU . . 174 182 ? -27.053 -39.954 22.658 1.000 32.730 1 1421 1
+ATOM ? OE1 . GLU . . 174 182 ? -27.720 -39.700 23.684 1.000 31.320 1 1422 1
+ATOM ? OE2 . GLU . . 174 182 ? -26.145 -40.802 22.626 1.000 34.650 1 1423 1
+ATOM ? N . THR . . 175 183 ? -30.021 -40.036 18.469 1.000 40.190 1 1424 1
+ATOM ? CA . THR . . 175 183 ? -29.998 -41.030 17.413 1.000 46.030 1 1425 1
+ATOM ? C . THR . . 175 183 ? -31.417 -41.287 16.919 1.000 47.720 1 1426 1
+ATOM ? O . THR . . 175 183 ? -31.583 -41.517 15.703 1.000 49.520 1 1427 1
+ATOM ? CB . THR . . 175 183 ? -29.379 -42.344 17.935 1.000 48.710 1 1428 1
+ATOM ? OG1 . THR . . 175 183 ? -29.146 -43.239 16.841 1.000 53.400 1 1429 1
+ATOM ? CG2 . THR . . 175 183 ? -30.302 -42.997 18.961 1.000 48.600 1 1430 1
+ATOM ? N . GLY . . 176 191 ? -35.089 -36.181 12.339 1.000 39.170 1 1431 1
+ATOM ? CA . GLY . . 176 191 ? -33.605 -36.177 12.509 1.000 38.080 1 1432 1
+ATOM ? C . GLY . . 176 191 ? -33.010 -34.783 12.479 1.000 37.810 1 1433 1
+ATOM ? O . GLY . . 176 191 ? -32.382 -34.355 13.445 1.000 37.350 1 1434 1
+ATOM ? N . GLN . . 177 192 ? -33.180 -34.086 11.357 1.000 37.690 1 1435 1
+ATOM ? CA . GLN . . 177 192 ? -32.681 -32.721 11.203 1.000 36.890 1 1436 1
+ATOM ? C . GLN . . 177 192 ? -33.876 -31.774 11.141 1.000 35.310 1 1437 1
+ATOM ? O . GLN . . 177 192 ? -34.927 -32.124 10.603 1.000 33.630 1 1438 1
+ATOM ? CB . GLN . . 177 192 ? -31.867 -32.562 9.919 1.000 40.130 1 1439 1
+ATOM ? CG . GLN . . 177 192 ? -31.252 -33.834 9.380 1.000 46.630 1 1440 1
+ATOM ? CD . GLN . . 177 192 ? -30.002 -34.231 10.131 1.000 51.240 1 1441 1
+ATOM ? OE1 . GLN . . 177 192 ? -28.925 -34.370 9.547 1.000 52.390 1 1442 1
+ATOM ? NE2 . GLN . . 177 192 ? -30.138 -34.421 11.439 1.000 53.900 1 1443 1
+ATOM ? N . PRO . . 178 193 ? -33.731 -30.557 11.690 1.000 31.990 1 1444 1
+ATOM ? CA . PRO . . 178 193 ? -34.854 -29.617 11.652 1.000 27.830 1 1445 1
+ATOM ? C . PRO . . 178 193 ? -34.915 -28.908 10.304 1.000 25.310 1 1446 1
+ATOM ? O . PRO . . 178 193 ? -33.936 -28.890 9.555 1.000 24.030 1 1447 1
+ATOM ? CB . PRO . . 178 193 ? -34.550 -28.649 12.797 1.000 27.080 1 1448 1
+ATOM ? CG . PRO . . 178 193 ? -33.061 -28.634 12.878 1.000 28.530 1 1449 1
+ATOM ? CD . PRO . . 178 193 ? -32.553 -29.980 12.363 1.000 29.820 1 1450 1
+ATOM ? N . SER . . 179 194 ? -36.066 -28.320 10.007 1.000 24.430 1 1451 1
+ATOM ? CA . SER . . 179 194 ? -36.250 -27.595 8.758 1.000 23.860 1 1452 1
+ATOM ? C . SER . . 179 194 ? -35.788 -26.155 8.951 1.000 20.090 1 1453 1
+ATOM ? O . SER . . 179 194 ? -35.249 -25.536 8.032 1.000 18.240 1 1454 1
+ATOM ? CB . SER . . 179 194 ? -37.719 -27.617 8.350 1.000 25.170 1 1455 1
+ATOM ? OG . SER . . 179 194 ? -37.917 -26.798 7.216 1.000 33.710 1 1456 1
+ATOM ? N . VAL . . 180 195 ? -36.019 -25.620 10.148 1.000 18.870 1 1457 1
+ATOM ? CA . VAL . . 180 195 ? -35.582 -24.255 10.460 1.000 22.050 1 1458 1
+ATOM ? C . VAL . . 180 195 ? -34.828 -24.202 11.796 1.000 19.450 1 1459 1
+ATOM ? O . VAL . . 180 195 ? -34.805 -25.180 12.546 1.000 20.050 1 1460 1
+ATOM ? CB . VAL . . 180 195 ? -36.779 -23.265 10.513 1.000 21.720 1 1461 1
+ATOM ? CG1 . VAL . . 180 195 ? -37.486 -23.233 9.165 1.000 23.910 1 1462 1
+ATOM ? CG2 . VAL . . 180 195 ? -37.744 -23.664 11.610 1.000 23.430 1 1463 1
+ATOM ? N . LEU . . 181 196 ? -34.206 -23.057 12.073 1.000 18.460 1 1464 1
+ATOM ? CA . LEU . . 181 196 ? -33.447 -22.849 13.303 1.000 16.790 1 1465 1
+ATOM ? C . LEU . . 181 196 ? -34.271 -23.192 14.547 1.000 15.780 1 1466 1
+ATOM ? O . LEU . . 181 196 ? -35.426 -22.784 14.677 1.000 17.610 1 1467 1
+ATOM ? CB . LEU . . 181 196 ? -32.963 -21.395 13.369 1.000 17.470 1 1468 1
+ATOM ? CG . LEU . . 181 196 ? -32.082 -21.016 14.566 1.000 19.890 1 1469 1
+ATOM ? CD1 . LEU . . 181 196 ? -30.654 -21.553 14.349 1.000 16.160 1 1470 1
+ATOM ? CD2 . LEU . . 181 196 ? -32.079 -19.493 14.730 1.000 18.670 1 1471 1
+ATOM ? N . GLN . . 182 197 ? -33.673 -23.956 15.456 1.000 13.250 1 1472 1
+ATOM ? CA . GLN . . 182 197 ? -34.350 -24.365 16.679 1.000 14.870 1 1473 1
+ATOM ? C . GLN . . 182 197 ? -33.843 -23.557 17.881 1.000 15.570 1 1474 1
+ATOM ? O . GLN . . 182 197 ? -32.745 -23.010 17.857 1.000 14.570 1 1475 1
+ATOM ? CB . GLN . . 182 197 ? -34.119 -25.864 16.941 1.000 15.260 1 1476 1
+ATOM ? CG . GLN . . 182 197 ? -34.666 -26.804 15.864 1.000 16.270 1 1477 1
+ATOM ? CD . GLN . . 182 197 ? -36.174 -26.779 15.801 1.000 16.120 1 1478 1
+ATOM ? OE1 . GLN . . 182 197 ? -36.847 -27.259 16.704 1.000 17.670 1 1479 1
+ATOM ? NE2 . GLN . . 182 197 ? -36.712 -26.191 14.741 1.000 19.330 1 1480 1
+ATOM ? N . VAL . . 183 198 ? -34.646 -23.501 18.932 1.000 18.460 1 1481 1
+ATOM ? CA . VAL . . 183 198 ? -34.262 -22.755 20.118 1.000 18.800 1 1482 1
+ATOM ? C . VAL . . 183 198 ? -34.688 -23.478 21.379 1.000 17.040 1 1483 1
+ATOM ? O . VAL . . 183 198 ? -35.721 -24.139 21.410 1.000 17.630 1 1484 1
+ATOM ? CB . VAL . . 183 198 ? -34.920 -21.345 20.132 1.000 19.940 1 1485 1
+ATOM ? CG1 . VAL . . 183 198 ? -36.433 -21.484 20.047 1.000 20.140 1 1486 1
+ATOM ? CG2 . VAL . . 183 198 ? -34.546 -20.589 21.404 1.000 19.120 1 1487 1
+ATOM ? N . VAL . . 184 199 ? -33.875 -23.358 22.420 1.000 15.640 1 1488 1
+ATOM ? CA . VAL . . 184 199 ? -34.205 -23.940 23.716 1.000 14.500 1 1489 1
+ATOM ? C . VAL . . 184 199 ? -33.568 -23.101 24.820 1.000 13.420 1 1490 1
+ATOM ? O . VAL . . 184 199 ? -32.443 -22.630 24.666 1.000 12.660 1 1491 1
+ATOM ? CB . VAL . . 184 199 ? -33.730 -25.404 23.853 1.000 14.900 1 1492 1
+ATOM ? CG1 . VAL . . 184 199 ? -32.215 -25.482 23.938 1.000 14.380 1 1493 1
+ATOM ? CG2 . VAL . . 184 199 ? -34.361 -26.007 25.087 1.000 16.020 1 1494 1
+ATOM ? N . ASN . . 185 200 ? -34.308 -22.913 25.910 1.000 14.640 1 1495 1
+ATOM ? CA . ASN . . 185 200 ? -33.851 -22.147 27.069 1.000 15.960 1 1496 1
+ATOM ? C . ASN . . 185 200 ? -33.468 -23.147 28.161 1.000 17.380 1 1497 1
+ATOM ? O . ASN . . 185 200 ? -34.251 -24.035 28.486 1.000 16.440 1 1498 1
+ATOM ? CB . ASN . . 185 200 ? -34.978 -21.255 27.590 1.000 15.840 1 1499 1
+ATOM ? CG . ASN . . 185 200 ? -35.477 -20.265 26.544 1.000 17.730 1 1500 1
+ATOM ? OD1 . ASN . . 185 200 ? -34.734 -19.850 25.655 1.000 12.500 1 1501 1
+ATOM ? ND2 . ASN . . 185 200 ? -36.742 -19.881 26.653 1.000 18.850 1 1502 1
+ATOM ? N . LEU . . 186 201 ? -32.284 -22.983 28.737 1.000 15.770 1 1503 1
+ATOM ? CA . LEU . . 186 201 ? -31.793 -23.908 29.761 1.000 16.370 1 1504 1
+ATOM ? C . LEU . . 186 201 ? -31.170 -23.205 30.963 1.000 17.230 1 1505 1
+ATOM ? O . LEU . . 186 201 ? -30.468 -22.198 30.814 1.000 15.690 1 1506 1
+ATOM ? CB . LEU . . 186 201 ? -30.748 -24.842 29.156 1.000 14.680 1 1507 1
+ATOM ? CG . LEU . . 186 201 ? -31.154 -25.594 27.888 1.000 14.810 1 1508 1
+ATOM ? CD1 . LEU . . 186 201 ? -29.910 -26.088 27.180 1.000 18.080 1 1509 1
+ATOM ? CD2 . LEU . . 186 201 ? -32.079 -26.747 28.239 1.000 14.680 1 1510 1
+ATOM ? N . PRO . . 187 202 ? -31.395 -23.754 32.169 1.000 16.600 1 1511 1
+ATOM ? CA . PRO . . 187 202 ? -30.859 -23.181 33.405 1.000 16.110 1 1512 1
+ATOM ? C . PRO . . 187 202 ? -29.405 -23.566 33.650 1.000 15.840 1 1513 1
+ATOM ? O . PRO . . 187 202 ? -28.996 -24.699 33.374 1.000 17.130 1 1514 1
+ATOM ? CB . PRO . . 187 202 ? -31.782 -23.742 34.482 1.000 14.980 1 1515 1
+ATOM ? CG . PRO . . 187 202 ? -32.203 -25.072 33.942 1.000 18.230 1 1516 1
+ATOM ? CD . PRO . . 187 202 ? -32.181 -24.975 32.431 1.000 17.160 1 1517 1
+ATOM ? N . ILE . . 188 203 ? -28.624 -22.611 34.145 1.000 14.770 1 1518 1
+ATOM ? CA . ILE . . 188 203 ? -27.226 -22.856 34.468 1.000 14.180 1 1519 1
+ATOM ? C . ILE . . 188 203 ? -27.264 -23.790 35.690 1.000 11.650 1 1520 1
+ATOM ? O . ILE . . 188 203 ? -28.136 -23.651 36.545 1.000 12.060 1 1521 1
+ATOM ? CB . ILE . . 188 203 ? -26.507 -21.519 34.785 1.000 14.380 1 1522 1
+ATOM ? CG1 . ILE . . 188 203 ? -26.241 -20.769 33.466 1.000 16.490 1 1523 1
+ATOM ? CG2 . ILE . . 188 203 ? -25.162 -21.778 35.456 1.000 13.980 1 1524 1
+ATOM ? CD1 . ILE . . 188 203 ? -26.146 -19.269 33.613 1.000 17.410 1 1525 1
+ATOM ? N . VAL . . 189 204 ? -26.337 -24.739 35.760 1.000 13.450 1 1526 1
+ATOM ? CA . VAL . . 189 204 ? -26.313 -25.715 36.859 1.000 16.170 1 1527 1
+ATOM ? C . VAL . . 189 204 ? -25.168 -25.515 37.876 1.000 15.020 1 1528 1
+ATOM ? O . VAL . . 189 204 ? -24.079 -25.099 37.518 1.000 13.370 1 1529 1
+ATOM ? CB . VAL . . 189 204 ? -26.246 -27.165 36.271 1.000 19.240 1 1530 1
+ATOM ? CG1 . VAL . . 189 204 ? -26.200 -28.210 37.386 1.000 19.680 1 1531 1
+ATOM ? CG2 . VAL . . 189 204 ? -27.472 -27.414 35.374 1.000 16.040 1 1532 1
+ATOM ? N . GLU . . 190 205 ? -25.443 -25.815 39.145 1.000 17.860 1 1533 1
+ATOM ? CA . GLU . . 190 205 ? -24.458 -25.688 40.230 1.000 20.080 1 1534 1
+ATOM ? C . GLU . . 190 205 ? -23.191 -26.441 39.846 1.000 18.900 1 1535 1
+ATOM ? O . GLU . . 190 205 ? -23.272 -27.571 39.374 1.000 18.660 1 1536 1
+ATOM ? CB . GLU . . 190 205 ? -25.026 -26.282 41.525 1.000 22.900 1 1537 1
+ATOM ? CG . GLU . . 190 205 ? -26.324 -25.652 41.998 1.000 30.040 1 1538 1
+ATOM ? CD . GLU . . 190 205 ? -27.547 -26.157 41.240 1.000 34.840 1 1539 1
+ATOM ? OE1 . GLU . . 190 205 ? -27.386 -26.780 40.171 1.000 36.770 1 1540 1
+ATOM ? OE2 . GLU . . 190 205 ? -28.679 -25.922 41.713 1.000 38.660 1 1541 1
+ATOM ? N . ARG . . 191 206 ? -22.032 -25.815 40.039 1.000 16.750 1 1542 1
+ATOM ? CA . ARG . . 191 206 ? -20.751 -26.425 39.690 1.000 18.980 1 1543 1
+ATOM ? C . ARG . . 191 206 ? -20.520 -27.856 40.229 1.000 19.940 1 1544 1
+ATOM ? O . ARG . . 191 206 ? -20.000 -28.709 39.501 1.000 17.670 1 1545 1
+ATOM ? CB . ARG . . 191 206 ? -19.595 -25.497 40.113 1.000 21.170 1 1546 1
+ATOM ? CG . ARG . . 191 206 ? -18.201 -26.016 39.739 1.000 29.860 1 1547 1
+ATOM ? CD . ARG . . 191 206 ? -17.202 -24.894 39.362 1.000 34.320 1 1548 1
+ATOM ? NE . ARG . . 191 206 ? -17.693 -24.020 38.294 1.000 35.580 1 1549 1
+ATOM ? CZ . ARG . . 191 206 ? -17.241 -24.024 37.039 1.000 33.990 1 1550 1
+ATOM ? NH1 . ARG . . 191 206 ? -16.275 -24.853 36.665 1.000 30.770 1 1551 1
+ATOM ? NH2 . ARG . . 191 206 ? -17.761 -23.186 36.151 1.000 35.560 1 1552 1
+ATOM ? N . PRO . . 192 207 ? -20.899 -28.134 41.498 1.000 19.230 1 1553 1
+ATOM ? CA . PRO . . 192 207 ? -20.716 -29.474 42.085 1.000 20.560 1 1554 1
+ATOM ? C . PRO . . 192 207 ? -21.516 -30.528 41.334 1.000 20.190 1 1555 1
+ATOM ? O . PRO . . 192 207 ? -21.037 -31.642 41.125 1.000 19.180 1 1556 1
+ATOM ? CB . PRO . . 192 207 ? -21.216 -29.326 43.531 1.000 18.150 1 1557 1
+ATOM ? CG . PRO . . 192 207 ? -21.209 -27.868 43.793 1.000 21.040 1 1558 1
+ATOM ? CD . PRO . . 192 207 ? -21.506 -27.209 42.467 1.000 20.970 1 1559 1
+ATOM ? N . VAL . . 193 208 ? -22.739 -30.166 40.949 1.000 18.980 1 1560 1
+ATOM ? CA . VAL . . 193 208 ? -23.615 -31.058 40.205 1.000 19.450 1 1561 1
+ATOM ? C . VAL . . 193 208 ? -23.003 -31.353 38.837 1.000 19.540 1 1562 1
+ATOM ? O . VAL . . 193 208 ? -23.047 -32.487 38.367 1.000 19.150 1 1563 1
+ATOM ? CB . VAL . . 193 208 ? -25.024 -30.433 40.045 1.000 20.670 1 1564 1
+ATOM ? CG1 . VAL . . 193 208 ? -25.915 -31.325 39.205 1.000 18.050 1 1565 1
+ATOM ? CG2 . VAL . . 193 208 ? -25.644 -30.235 41.411 1.000 21.970 1 1566 1
+ATOM ? N . CYS . . 194 209 ? -22.423 -30.333 38.199 1.000 20.070 1 1567 1
+ATOM ? CA . CYS . . 194 209 ? -21.780 -30.518 36.899 1.000 18.920 1 1568 1
+ATOM ? C . CYS . . 194 209 ? -20.642 -31.541 37.051 1.000 21.880 1 1569 1
+ATOM ? O . CYS . . 194 209 ? -20.527 -32.499 36.270 1.000 18.670 1 1570 1
+ATOM ? CB . CYS . . 194 209 ? -21.183 -29.194 36.387 1.000 17.690 1 1571 1
+ATOM ? SG . CYS . . 194 209 ? -22.397 -27.867 36.055 1.000 19.730 1 1572 1
+ATOM ? N . LYS . . 195 210 ? -19.808 -31.313 38.060 1.000 20.490 1 1573 1
+ATOM ? CA . LYS . . 195 210 ? -18.650 -32.163 38.351 1.000 24.310 1 1574 1
+ATOM ? C . LYS . . 195 210 ? -19.002 -33.628 38.632 1.000 21.070 1 1575 1
+ATOM ? O . LYS . . 195 210 ? -18.339 -34.534 38.141 1.000 22.710 1 1576 1
+ATOM ? CB . LYS . . 195 210 ? -17.889 -31.594 39.550 1.000 27.880 1 1577 1
+ATOM ? CG . LYS . . 195 210 ? -16.588 -30.901 39.192 1.000 38.850 1 1578 1
+ATOM ? CD . LYS . . 195 210 ? -16.616 -29.427 39.588 1.000 44.150 1 1579 1
+ATOM ? CE . LYS . . 195 210 ? -15.960 -29.193 40.941 1.000 48.150 1 1580 1
+ATOM ? NZ . LYS . . 195 210 ? -15.153 -27.929 40.969 1.000 50.070 1 1581 1
+ATOM ? N . ASP . . 196 211 ? -20.050 -33.847 39.415 1.000 19.890 1 1582 1
+ATOM ? CA . ASP . . 196 211 ? -20.484 -35.197 39.778 1.000 21.310 1 1583 1
+ATOM ? C . ASP . . 196 211 ? -21.245 -35.964 38.703 1.000 20.890 1 1584 1
+ATOM ? O . ASP . . 196 211 ? -21.637 -37.103 38.929 1.000 21.240 1 1585 1
+ATOM ? CB . ASP . . 196 211 ? -21.364 -35.139 41.023 1.000 19.490 1 1586 1
+ATOM ? CG . ASP . . 196 211 ? -20.565 -34.914 42.280 1.000 19.050 1 1587 1
+ATOM ? OD1 . ASP . . 196 211 ? -19.331 -34.956 42.204 1.000 19.170 1 1588 1
+ATOM ? OD2 . ASP . . 196 211 ? -21.173 -34.698 43.338 1.000 23.310 1 1589 1
+ATOM ? N . SER . . 197 212 ? -21.451 -35.354 37.539 1.000 20.120 1 1590 1
+ATOM ? CA . SER . . 197 212 ? -22.196 -36.008 36.465 1.000 15.780 1 1591 1
+ATOM ? C . SER . . 197 212 ? -21.291 -36.642 35.430 1.000 17.470 1 1592 1
+ATOM ? O . SER . . 197 212 ? -21.757 -37.348 34.536 1.000 19.820 1 1593 1
+ATOM ? CB . SER . . 197 212 ? -23.080 -34.988 35.752 1.000 17.940 1 1594 1
+ATOM ? OG . SER . . 197 212 ? -22.270 -34.150 34.938 1.000 15.850 1 1595 1
+ATOM ? N . THR . . 198 213 ? -19.996 -36.404 35.543 1.000 15.780 1 1596 1
+ATOM ? CA . THR . . 198 213 ? -19.079 -36.919 34.539 1.000 16.250 1 1597 1
+ATOM ? C . THR . . 198 213 ? -17.744 -37.342 35.131 1.000 17.990 1 1598 1
+ATOM ? O . THR . . 198 213 ? -17.437 -36.984 36.258 1.000 18.390 1 1599 1
+ATOM ? CB . THR . . 198 213 ? -18.806 -35.820 33.511 1.000 13.330 1 1600 1
+ATOM ? OG1 . THR . . 198 213 ? -17.914 -36.298 32.502 1.000 14.090 1 1601 1
+ATOM ? CG2 . THR . . 198 213 ? -18.190 -34.606 34.209 1.000 10.810 1 1602 1
+ATOM ? N . ARG . . 199 214 ? -16.951 -38.068 34.344 1.000 16.310 1 1603 1
+ATOM ? CA . ARG . . 199 214 ? -15.622 -38.520 34.760 1.000 21.240 1 1604 1
+ATOM ? C . ARG . . 199 214 ? -14.585 -37.557 34.217 1.000 22.220 1 1605 1
+ATOM ? O . ARG . . 199 214 ? -13.421 -37.582 34.621 1.000 22.930 1 1606 1
+ATOM ? CB . ARG . . 199 214 ? -15.315 -39.905 34.201 1.000 23.200 1 1607 1
+ATOM ? CG . ARG . . 199 214 ? -15.898 -41.050 34.989 1.000 30.330 1 1608 1
+ATOM ? CD . ARG . . 199 214 ? -15.043 -42.292 34.792 1.000 34.440 1 1609 1
+ATOM ? NE . ARG . . 199 214 ? -15.840 -43.455 34.431 1.000 39.040 1 1610 1
+ATOM ? CZ . ARG . . 199 214 ? -15.358 -44.690 34.363 1.000 39.290 1 1611 1
+ATOM ? NH1 . ARG . . 199 214 ? -14.082 -44.918 34.631 1.000 38.650 1 1612 1
+ATOM ? NH2 . ARG . . 199 214 ? -16.153 -45.698 34.038 1.000 41.380 1 1613 1
+ATOM ? N . ILE . . 200 215 ? -15.003 -36.716 33.277 1.000 21.250 1 1614 1
+ATOM ? CA . ILE . . 200 215 ? -14.092 -35.745 32.687 1.000 21.560 1 1615 1
+ATOM ? C . ILE . . 200 215 ? -13.769 -34.681 33.732 1.000 20.350 1 1616 1
+ATOM ? O . ILE . . 200 215 ? -14.634 -34.302 34.527 1.000 20.250 1 1617 1
+ATOM ? CB . ILE . . 200 215 ? -14.732 -35.035 31.463 1.000 24.330 1 1618 1
+ATOM ? CG1 . ILE . . 200 215 ? -15.260 -36.078 30.471 1.000 25.230 1 1619 1
+ATOM ? CG2 . ILE . . 200 215 ? -13.709 -34.106 30.801 1.000 24.050 1 1620 1
+ATOM ? CD1 . ILE . . 200 215 ? -14.172 -36.766 29.667 1.000 27.550 1 1621 1
+ATOM ? N . ARG . . 201 216 ? -12.527 -34.210 33.737 1.000 19.670 1 1622 1
+ATOM ? CA . ARG . . 201 216 ? -12.126 -33.161 34.673 1.000 24.150 1 1623 1
+ATOM ? C . ARG . . 201 216 ? -12.583 -31.798 34.138 1.000 23.240 1 1624 1
+ATOM ? O . ARG . . 201 216 ? -12.159 -31.374 33.059 1.000 25.680 1 1625 1
+ATOM ? CB . ARG . . 201 216 ? -10.609 -33.141 34.831 1.000 23.480 1 1626 1
+ATOM ? CG . ARG . . 201 216 ? -10.091 -31.922 35.598 1.000 30.290 1 1627 1
+ATOM ? CD . ARG . . 201 216 ? -8.582 -31.978 35.778 1.000 31.520 1 1628 1
+ATOM ? NE . ARG . . 201 216 ? -7.872 -31.709 34.528 1.000 35.230 1 1629 1
+ATOM ? CZ . ARG . . 201 216 ? -7.570 -30.490 34.089 1.000 35.320 1 1630 1
+ATOM ? NH1 . ARG . . 201 216 ? -7.916 -29.424 34.795 1.000 36.610 1 1631 1
+ATOM ? NH2 . ARG . . 201 216 ? -6.915 -30.335 32.949 1.000 37.360 1 1632 1
+ATOM ? N . ILE . . 202 217 ? -13.439 -31.107 34.877 1.000 23.910 1 1633 1
+ATOM ? CA . ILE . . 202 217 ? -13.887 -29.809 34.399 1.000 26.220 1 1634 1
+ATOM ? C . ILE . . 202 217 ? -13.065 -28.662 35.004 1.000 25.430 1 1635 1
+ATOM ? O . ILE . . 202 217 ? -12.575 -28.762 36.130 1.000 27.850 1 1636 1
+ATOM ? CB . ILE . . 202 217 ? -15.408 -29.622 34.636 1.000 26.380 1 1637 1
+ATOM ? CG1 . ILE . . 202 217 ? -15.693 -29.204 36.069 1.000 30.580 1 1638 1
+ATOM ? CG2 . ILE . . 202 217 ? -16.136 -30.915 34.306 1.000 25.360 1 1639 1
+ATOM ? CD1 . ILE . . 202 217 ? -16.908 -28.300 36.193 1.000 34.410 1 1640 1
+ATOM ? N . THR . . 203 218 ? -12.888 -27.592 34.235 1.000 22.800 1 1641 1
+ATOM ? CA . THR . . 203 218 ? -12.103 -26.442 34.675 1.000 18.600 1 1642 1
+ATOM ? C . THR . . 203 218 ? -12.952 -25.202 34.930 1.000 19.000 1 1643 1
+ATOM ? O . THR . . 203 218 ? -14.176 -25.218 34.757 1.000 18.710 1 1644 1
+ATOM ? CB . THR . . 203 218 ? -11.023 -26.071 33.636 1.000 19.600 1 1645 1
+ATOM ? OG1 . THR . . 203 218 ? -11.655 -25.537 32.463 1.000 20.230 1 1646 1
+ATOM ? CG2 . THR . . 203 218 ? -10.194 -27.289 33.246 1.000 16.940 1 1647 1
+ATOM ? N . ASP . . 204 219 ? -12.286 -24.125 35.344 1.000 17.010 1 1648 1
+ATOM ? CA . ASP . . 204 219 ? -12.945 -22.857 35.629 1.000 19.450 1 1649 1
+ATOM ? C . ASP . . 204 219 ? -13.394 -22.226 34.300 1.000 16.250 1 1650 1
+ATOM ? O . ASP . . 204 219 ? -14.239 -21.342 34.281 1.000 19.690 1 1651 1
+ATOM ? CB . ASP . . 204 219 ? -11.969 -21.900 36.346 1.000 21.080 1 1652 1
+ATOM ? CG . ASP . . 204 219 ? -11.755 -22.251 37.831 1.000 28.040 1 1653 1
+ATOM ? OD1 . ASP . . 204 219 ? -12.614 -22.931 38.427 1.000 23.710 1 1654 1
+ATOM ? OD2 . ASP . . 204 219 ? -10.719 -21.831 38.402 1.000 27.740 1 1655 1
+ATOM ? N . ASN . . 205 220 ? -12.821 -22.692 33.196 1.000 15.780 1 1656 1
+ATOM ? CA . ASN . . 205 220 ? -13.158 -22.172 31.875 1.000 16.610 1 1657 1
+ATOM ? C . ASN . . 205 220 ? -14.431 -22.769 31.250 1.000 16.260 1 1658 1
+ATOM ? O . ASN . . 205 220 ? -14.705 -22.548 30.078 1.000 15.710 1 1659 1
+ATOM ? CB . ASN . . 205 220 ? -11.982 -22.383 30.940 1.000 15.370 1 1660 1
+ATOM ? CG . ASN . . 205 220 ? -10.742 -21.685 31.425 1.000 21.780 1 1661 1
+ATOM ? OD1 . ASN . . 205 220 ? -10.796 -20.522 31.817 1.000 17.160 1 1662 1
+ATOM ? ND2 . ASN . . 205 220 ? -9.612 -22.392 31.409 1.000 23.400 1 1663 1
+ATOM ? N . MET . . 206 221 ? -15.187 -23.535 32.028 1.000 17.370 1 1664 1
+ATOM ? CA . MET . . 206 221 ? -16.436 -24.126 31.543 1.000 16.310 1 1665 1
+ATOM ? C . MET . . 206 221 ? -17.505 -24.024 32.592 1.000 16.370 1 1666 1
+ATOM ? O . MET . . 206 221 ? -17.202 -23.841 33.777 1.000 19.160 1 1667 1
+ATOM ? CB . MET . . 206 221 ? -16.301 -25.627 31.238 1.000 16.750 1 1668 1
+ATOM ? CG . MET . . 206 221 ? -14.914 -26.155 31.045 1.000 20.770 1 1669 1
+ATOM ? SD . MET . . 206 221 ? -14.859 -27.968 31.188 1.000 19.160 1 1670 1
+ATOM ? CE . MET . . 206 221 ? -13.350 -28.234 30.375 1.000 14.100 1 1671 1
+ATOM ? N . PHE . . 207 222 ? -18.756 -24.121 32.147 1.000 12.260 1 1672 1
+ATOM ? CA . PHE . . 207 222 ? -19.894 -24.178 33.041 1.000 12.430 1 1673 1
+ATOM ? C . PHE . . 207 222 ? -20.830 -25.157 32.347 1.000 12.380 1 1674 1
+ATOM ? O . PHE . . 207 222 ? -20.661 -25.437 31.159 1.000 12.300 1 1675 1
+ATOM ? CB . PHE . . 207 222 ? -20.550 -22.803 33.314 1.000 14.240 1 1676 1
+ATOM ? CG . PHE . . 207 222 ? -21.180 -22.133 32.111 1.000 14.400 1 1677 1
+ATOM ? CD1 . PHE . . 207 222 ? -22.495 -22.418 31.741 1.000 16.650 1 1678 1
+ATOM ? CD2 . PHE . . 207 222 ? -20.483 -21.145 31.410 1.000 13.820 1 1679 1
+ATOM ? CE1 . PHE . . 207 222 ? -23.115 -21.722 30.688 1.000 18.230 1 1680 1
+ATOM ? CE2 . PHE . . 207 222 ? -21.088 -20.440 30.356 1.000 15.140 1 1681 1
+ATOM ? CZ . PHE . . 207 222 ? -22.407 -20.729 29.995 1.000 15.630 1 1682 1
+ATOM ? N . CYS . . 208 223 ? -21.764 -25.740 33.083 1.000 13.120 1 1683 1
+ATOM ? CA . CYS . . 208 223 ? -22.681 -26.680 32.456 1.000 14.740 1 1684 1
+ATOM ? C . CYS . . 208 223 ? -24.105 -26.173 32.615 1.000 14.620 1 1685 1
+ATOM ? O . CYS . . 208 223 ? -24.378 -25.280 33.430 1.000 15.430 1 1686 1
+ATOM ? CB . CYS . . 208 223 ? -22.477 -28.098 33.034 1.000 15.530 1 1687 1
+ATOM ? SG . CYS . . 208 223 ? -23.461 -28.586 34.486 1.000 18.750 1 1688 1
+ATOM ? N . ALA . . 209 224 ? -25.009 -26.704 31.806 1.000 14.010 1 1689 1
+ATOM ? CA . ALA . . 209 224 ? -26.392 -26.266 31.850 1.000 15.300 1 1690 1
+ATOM ? C . ALA . . 209 224 ? -27.353 -27.366 31.410 1.000 15.010 1 1691 1
+ATOM ? O . ALA . . 209 224 ? -26.989 -28.273 30.664 1.000 17.030 1 1692 1
+ATOM ? CB . ALA . . 209 224 ? -26.567 -25.034 30.962 1.000 15.420 1 1693 1
+ATOM ? N . GLY . . 210 225 ? -28.589 -27.272 31.871 1.000 16.050 1 1694 1
+ATOM ? CA . GLY . . 210 225 ? -29.568 -28.272 31.510 1.000 17.910 1 1695 1
+ATOM ? C . GLY . . 210 225 ? -30.460 -28.522 32.691 1.000 18.080 1 1696 1
+ATOM ? O . GLY . . 210 225 ? -30.176 -28.084 33.801 1.000 19.320 1 1697 1
+ATOM ? N . TYR . . 211 226 ? -31.560 -29.213 32.453 1.000 19.740 1 1698 1
+ATOM ? CA . TYR . . 211 226 ? -32.473 -29.518 33.522 1.000 20.960 1 1699 1
+ATOM ? C . TYR . . 211 226 ? -31.998 -30.778 34.245 1.000 23.830 1 1700 1
+ATOM ? O . TYR . . 211 226 ? -31.235 -31.573 33.693 1.000 24.690 1 1701 1
+ATOM ? CB . TYR . . 211 226 ? -33.865 -29.722 32.947 1.000 21.840 1 1702 1
+ATOM ? CG . TYR . . 211 226 ? -34.507 -28.425 32.532 1.000 23.810 1 1703 1
+ATOM ? CD1 . TYR . . 211 226 ? -34.564 -28.038 31.190 1.000 23.670 1 1704 1
+ATOM ? CD2 . TYR . . 211 226 ? -35.053 -27.575 33.484 1.000 24.440 1 1705 1
+ATOM ? CE1 . TYR . . 211 226 ? -35.156 -26.825 30.815 1.000 23.930 1 1706 1
+ATOM ? CE2 . TYR . . 211 226 ? -35.643 -26.366 33.123 1.000 24.450 1 1707 1
+ATOM ? CZ . TYR . . 211 226 ? -35.690 -26.000 31.797 1.000 25.100 1 1708 1
+ATOM ? OH . TYR . . 211 226 ? -36.265 -24.802 31.477 1.000 28.810 1 1709 1
+ATOM ? N . LYS . . 212 227 ? -32.434 -30.933 35.488 1.000 25.770 1 1710 1
+ATOM ? CA . LYS . . 212 227 ? -32.099 -32.098 36.297 1.000 28.820 1 1711 1
+ATOM ? C . LYS . . 212 227 ? -33.192 -33.130 36.021 1.000 31.850 1 1712 1
+ATOM ? O . LYS . . 212 227 ? -34.293 -32.771 35.602 1.000 31.450 1 1713 1
+ATOM ? CB . LYS . . 212 227 ? -32.088 -31.725 37.780 1.000 27.350 1 1714 1
+ATOM ? CG . LYS . . 212 227 ? -30.842 -30.971 38.197 1.000 30.290 1 1715 1
+ATOM ? CD . LYS . . 212 227 ? -31.089 -30.148 39.443 1.000 34.180 1 1716 1
+ATOM ? CE . LYS . . 212 227 ? -29.795 -29.538 39.968 1.000 36.660 1 1717 1
+ATOM ? NZ . LYS . . 212 227 ? -29.831 -28.048 39.928 1.000 39.630 1 1718 1
+ATOM ? N . PRO . . 213 228 ? -32.906 -34.421 36.252 1.000 34.750 1 1719 1
+ATOM ? CA . PRO . . 213 228 ? -33.911 -35.465 36.003 1.000 36.310 1 1720 1
+ATOM ? C . PRO . . 213 228 ? -35.255 -35.283 36.703 1.000 37.190 1 1721 1
+ATOM ? O . PRO . . 213 228 ? -36.273 -35.791 36.237 1.000 38.200 1 1722 1
+ATOM ? CB . PRO . . 213 228 ? -33.208 -36.755 36.434 1.000 35.510 1 1723 1
+ATOM ? CG . PRO . . 213 228 ? -31.755 -36.437 36.352 1.000 35.080 1 1724 1
+ATOM ? CD . PRO . . 213 228 ? -31.640 -34.989 36.742 1.000 33.170 1 1725 1
+ATOM ? N . ASP . . 214 229 ? -35.272 -34.555 37.811 1.000 40.190 1 1726 1
+ATOM ? CA . ASP . . 214 229 ? -36.517 -34.359 38.538 1.000 44.350 1 1727 1
+ATOM ? C . ASP . . 214 229 ? -37.284 -33.097 38.155 1.000 44.510 1 1728 1
+ATOM ? O . ASP . . 214 229 ? -38.436 -32.940 38.551 1.000 46.160 1 1729 1
+ATOM ? CB . ASP . . 214 229 ? -36.242 -34.346 40.046 1.000 48.210 1 1730 1
+ATOM ? CG . ASP . . 214 229 ? -36.160 -32.935 40.616 1.000 54.470 1 1731 1
+ATOM ? OD1 . ASP . . 214 229 ? -37.182 -32.434 41.137 1.000 57.190 1 1732 1
+ATOM ? OD2 . ASP . . 214 229 ? -35.072 -32.323 40.544 1.000 56.470 1 1733 1
+ATOM ? N . GLU . . 215 230 ? -36.666 -32.211 37.379 1.000 44.010 1 1734 1
+ATOM ? CA . GLU . . 215 230 ? -37.314 -30.955 37.006 1.000 43.590 1 1735 1
+ATOM ? C . GLU . . 215 230 ? -38.485 -31.042 36.027 1.000 44.600 1 1736 1
+ATOM ? O . GLU . . 215 230 ? -39.232 -30.073 35.860 1.000 46.520 1 1737 1
+ATOM ? CB . GLU . . 215 230 ? -36.260 -29.971 36.496 1.000 42.300 1 1738 1
+ATOM ? CG . GLU . . 215 230 ? -35.179 -29.719 37.535 1.000 42.150 1 1739 1
+ATOM ? CD . GLU . . 215 230 ? -34.392 -28.449 37.298 1.000 41.460 1 1740 1
+ATOM ? OE1 . GLU . . 215 230 ? -33.319 -28.522 36.666 1.000 39.270 1 1741 1
+ATOM ? OE2 . GLU . . 215 230 ? -34.841 -27.378 37.752 1.000 44.230 1 1742 1
+ATOM ? N . GLY . . 216 231 ? -38.657 -32.191 35.383 1.000 43.080 1 1743 1
+ATOM ? CA . GLY . . 216 231 ? -39.769 -32.344 34.463 1.000 42.080 1 1744 1
+ATOM ? C . GLY . . 216 231 ? -39.726 -31.454 33.237 1.000 42.180 1 1745 1
+ATOM ? O . GLY . . 216 231 ? -40.755 -30.947 32.790 1.000 44.210 1 1746 1
+ATOM ? N . LYS . . 217 232 ? -38.528 -31.255 32.702 1.000 40.030 1 1747 1
+ATOM ? CA . LYS . . 217 232 ? -38.322 -30.454 31.505 1.000 35.940 1 1748 1
+ATOM ? C . LYS . . 217 232 ? -37.035 -30.980 30.892 1.000 32.880 1 1749 1
+ATOM ? O . LYS . . 217 232 ? -36.134 -31.398 31.610 1.000 33.170 1 1750 1
+ATOM ? CB . LYS . . 217 232 ? -38.188 -28.974 31.856 1.000 38.720 1 1751 1
+ATOM ? CG . LYS . . 217 232 ? -39.490 -28.329 32.288 1.000 42.130 1 1752 1
+ATOM ? CD . LYS . . 217 232 ? -39.260 -26.932 32.855 1.000 46.790 1 1753 1
+ATOM ? CE . LYS . . 217 232 ? -39.600 -25.852 31.830 1.000 48.400 1 1754 1
+ATOM ? NZ . LYS . . 217 232 ? -39.541 -26.370 30.429 1.000 50.480 1 1755 1
+ATOM ? N . ARG . . 218 233 ? -36.955 -30.979 29.568 1.000 30.000 1 1756 1
+ATOM ? CA . ARG . . 218 233 ? -35.773 -31.488 28.885 1.000 27.620 1 1757 1
+ATOM ? C . ARG . . 218 233 ? -35.205 -30.435 27.957 1.000 24.760 1 1758 1
+ATOM ? O . ARG . . 218 233 ? -35.658 -29.298 27.948 1.000 26.290 1 1759 1
+ATOM ? CB . ARG . . 218 233 ? -36.131 -32.740 28.074 1.000 27.940 1 1760 1
+ATOM ? CG . ARG . . 218 233 ? -37.232 -33.578 28.695 1.000 30.040 1 1761 1
+ATOM ? CD . ARG . . 218 233 ? -37.244 -34.995 28.143 1.000 29.680 1 1762 1
+ATOM ? NE . ARG . . 218 233 ? -35.902 -35.561 28.052 1.000 31.850 1 1763 1
+ATOM ? CZ . ARG . . 218 233 ? -35.302 -36.212 29.043 1.000 29.890 1 1764 1
+ATOM ? NH1 . ARG . . 218 233 ? -35.926 -36.381 30.200 1.000 31.270 1 1765 1
+ATOM ? NH2 . ARG . . 218 233 ? -34.077 -36.689 28.878 1.000 29.400 1 1766 1
+ATOM ? N . GLY . . 219 234 ? -34.217 -30.823 27.167 1.000 20.770 1 1767 1
+ATOM ? CA . GLY . . 219 234 ? -33.615 -29.888 26.244 1.000 22.600 1 1768 1
+ATOM ? C . GLY . . 219 234 ? -32.109 -29.964 26.290 1.000 21.190 1 1769 1
+ATOM ? O . GLY . . 219 234 ? -31.518 -30.141 27.355 1.000 23.170 1 1770 1
+ATOM ? N . ASP . . 220 235 ? -31.481 -29.804 25.135 1.000 19.380 1 1771 1
+ATOM ? CA . ASP . . 220 235 ? -30.039 -29.883 25.061 1.000 19.110 1 1772 1
+ATOM ? C . ASP . . 220 235 ? -29.637 -29.568 23.628 1.000 18.530 1 1773 1
+ATOM ? O . ASP . . 220 235 ? -30.463 -29.594 22.715 1.000 17.820 1 1774 1
+ATOM ? CB . ASP . . 220 235 ? -29.597 -31.314 25.430 1.000 19.140 1 1775 1
+ATOM ? CG . ASP . . 220 235 ? -28.091 -31.440 25.697 1.000 20.930 1 1776 1
+ATOM ? OD1 . ASP . . 220 235 ? -27.372 -30.415 25.759 1.000 18.560 1 1777 1
+ATOM ? OD2 . ASP . . 220 235 ? -27.620 -32.589 25.848 1.000 19.450 1 1778 1
+ATOM ? N . ALA . . 221 236 ? -28.374 -29.230 23.439 1.000 15.650 1 1779 1
+ATOM ? CA . ALA . . 221 236 ? -27.878 -29.003 22.100 1.000 16.330 1 1780 1
+ATOM ? C . ALA . . 221 236 ? -27.536 -30.429 21.658 1.000 16.750 1 1781 1
+ATOM ? O . ALA . . 221 236 ? -27.650 -31.371 22.447 1.000 17.510 1 1782 1
+ATOM ? CB . ALA . . 221 236 ? -26.629 -28.152 22.137 1.000 16.070 1 1783 1
+ATOM ? N . CYS . . 222 237 ? -27.132 -30.600 20.410 1.000 17.690 1 1784 1
+ATOM ? CA . CYS . . 222 237 ? -26.764 -31.926 19.927 1.000 19.780 1 1785 1
+ATOM ? C . CYS . . 222 237 ? -25.849 -31.744 18.730 1.000 21.890 1 1786 1
+ATOM ? O . CYS . . 222 237 ? -25.474 -30.612 18.398 1.000 19.250 1 1787 1
+ATOM ? CB . CYS . . 222 237 ? -28.004 -32.754 19.552 1.000 21.360 1 1788 1
+ATOM ? SG . CYS . . 222 237 ? -27.741 -34.573 19.499 1.000 22.450 1 1789 1
+ATOM ? N . GLU . . 223 238 ? -25.469 -32.856 18.102 1.000 20.730 1 1790 1
+ATOM ? CA . GLU . . 223 238 ? -24.571 -32.820 16.959 1.000 19.720 1 1791 1
+ATOM ? C . GLU . . 223 238 ? -24.982 -31.744 15.961 1.000 20.300 1 1792 1
+ATOM ? O . GLU . . 223 238 ? -26.146 -31.671 15.574 1.000 20.420 1 1793 1
+ATOM ? CB . GLU . . 223 238 ? -24.545 -34.187 16.266 1.000 21.000 1 1794 1
+ATOM ? CG . GLU . . 223 238 ? -23.526 -34.266 15.153 1.000 22.350 1 1795 1
+ATOM ? CD . GLU . . 223 238 ? -23.238 -35.690 14.712 1.000 26.380 1 1796 1
+ATOM ? OE1 . GLU . . 223 238 ? -23.699 -36.640 15.384 1.000 29.420 1 1797 1
+ATOM ? OE2 . GLU . . 223 238 ? -22.545 -35.851 13.690 1.000 27.880 1 1798 1
+ATOM ? N . GLY . . 224 239 ? -24.022 -30.925 15.539 1.000 18.470 1 1799 1
+ATOM ? CA . GLY . . 224 239 ? -24.321 -29.860 14.592 1.000 18.240 1 1800 1
+ATOM ? C . GLY . . 224 239 ? -24.574 -28.505 15.245 1.000 16.030 1 1801 1
+ATOM ? O . GLY . . 224 239 ? -24.477 -27.478 14.577 1.000 13.980 1 1802 1
+ATOM ? N . ASP . . 225 240 ? -24.917 -28.508 16.532 1.000 13.220 1 1803 1
+ATOM ? CA . ASP . . 225 240 ? -25.164 -27.276 17.304 1.000 13.860 1 1804 1
+ATOM ? C . ASP . . 225 240 ? -23.916 -26.703 17.977 1.000 15.390 1 1805 1
+ATOM ? O . ASP . . 225 240 ? -23.857 -25.500 18.271 1.000 14.580 1 1806 1
+ATOM ? CB . ASP . . 225 240 ? -26.156 -27.529 18.433 1.000 11.880 1 1807 1
+ATOM ? CG . ASP . . 225 240 ? -27.537 -27.820 17.939 1.000 15.340 1 1808 1
+ATOM ? OD1 . ASP . . 225 240 ? -28.166 -28.727 18.513 1.000 12.310 1 1809 1
+ATOM ? OD2 . ASP . . 225 240 ? -27.988 -27.128 16.993 1.000 16.280 1 1810 1
+ATOM ? N . SER . . 226 241 ? -22.935 -27.560 18.258 1.000 16.080 1 1811 1
+ATOM ? CA . SER . . 226 241 ? -21.725 -27.105 18.951 1.000 16.060 1 1812 1
+ATOM ? C . SER . . 226 241 ? -21.028 -25.946 18.247 1.000 15.310 1 1813 1
+ATOM ? O . SER . . 226 241 ? -21.122 -25.785 17.022 1.000 15.540 1 1814 1
+ATOM ? CB . SER . . 226 241 ? -20.759 -28.286 19.214 1.000 14.570 1 1815 1
+ATOM ? OG . SER . . 226 241 ? -20.126 -28.775 18.048 1.000 11.930 1 1816 1
+ATOM ? N . GLY . . 227 242 ? -20.345 -25.120 19.038 1.000 13.160 1 1817 1
+ATOM ? CA . GLY . . 227 242 ? -19.696 -23.947 18.491 1.000 8.790 1 1818 1
+ATOM ? C . GLY . . 227 242 ? -20.684 -22.788 18.512 1.000 9.920 1 1819 1
+ATOM ? O . GLY . . 227 242 ? -20.301 -21.633 18.321 1.000 11.560 1 1820 1
+ATOM ? N . GLY . . 228 243 ? -21.957 -23.101 18.750 1.000 8.160 1 1821 1
+ATOM ? CA . GLY . . 228 243 ? -22.988 -22.082 18.809 1.000 9.440 1 1822 1
+ATOM ? C . GLY . . 228 243 ? -23.028 -21.276 20.107 1.000 13.420 1 1823 1
+ATOM ? O . GLY . . 228 243 ? -22.361 -21.610 21.102 1.000 9.400 1 1824 1
+ATOM ? N . PRO . . 229 244 ? -23.812 -20.191 20.127 1.000 13.150 1 1825 1
+ATOM ? CA . PRO . . 229 244 ? -23.905 -19.351 21.328 1.000 13.920 1 1826 1
+ATOM ? C . PRO . . 229 244 ? -24.909 -19.740 22.388 1.000 13.810 1 1827 1
+ATOM ? O . PRO . . 229 244 ? -25.974 -20.275 22.094 1.000 15.010 1 1828 1
+ATOM ? CB . PRO . . 229 244 ? -24.234 -17.975 20.753 1.000 17.730 1 1829 1
+ATOM ? CG . PRO . . 229 244 ? -25.140 -18.314 19.571 1.000 11.770 1 1830 1
+ATOM ? CD . PRO . . 229 244 ? -24.592 -19.625 19.008 1.000 13.270 1 1831 1
+ATOM ? N . PHE . . 230 245 ? -24.546 -19.470 23.639 1.000 12.090 1 1832 1
+ATOM ? CA . PHE . . 230 245 ? -25.419 -19.668 24.783 1.000 10.310 1 1833 1
+ATOM ? C . PHE . . 230 245 ? -25.588 -18.194 25.200 1.000 11.690 1 1834 1
+ATOM ? O . PHE . . 230 245 ? -24.626 -17.540 25.602 1.000 7.140 1 1835 1
+ATOM ? CB . PHE . . 230 245 ? -24.698 -20.480 25.879 1.000 11.390 1 1836 1
+ATOM ? CG . PHE . . 230 245 ? -25.456 -20.553 27.164 1.000 11.140 1 1837 1
+ATOM ? CD1 . PHE . . 230 245 ? -26.298 -21.624 27.429 1.000 10.570 1 1838 1
+ATOM ? CD2 . PHE . . 230 245 ? -25.377 -19.521 28.092 1.000 10.690 1 1839 1
+ATOM ? CE1 . PHE . . 230 245 ? -27.055 -21.670 28.594 1.000 15.800 1 1840 1
+ATOM ? CE2 . PHE . . 230 245 ? -26.127 -19.558 29.255 1.000 11.030 1 1841 1
+ATOM ? CZ . PHE . . 230 245 ? -26.972 -20.636 29.512 1.000 14.470 1 1842 1
+ATOM ? N . VAL . . 231 246 ? -26.792 -17.648 25.059 1.000 13.390 1 1843 1
+ATOM ? CA . VAL . . 231 246 ? -26.973 -16.234 25.400 1.000 12.140 1 1844 1
+ATOM ? C . VAL . . 231 246 ? -27.951 -15.956 26.509 1.000 11.350 1 1845 1
+ATOM ? O . VAL . . 231 246 ? -28.837 -16.764 26.804 1.000 12.560 1 1846 1
+ATOM ? CB . VAL . . 231 246 ? -27.449 -15.391 24.174 1.000 13.500 1 1847 1
+ATOM ? CG1 . VAL . . 231 246 ? -26.423 -15.440 23.060 1.000 8.820 1 1848 1
+ATOM ? CG2 . VAL . . 231 246 ? -28.807 -15.914 23.680 1.000 10.830 1 1849 1
+ATOM ? N . MET . . 232 247 ? -27.789 -14.778 27.109 1.000 11.480 1 1850 1
+ATOM ? CA . MET . . 232 247 ? -28.669 -14.313 28.167 1.000 11.900 1 1851 1
+ATOM ? C . MET . . 232 247 ? -29.042 -12.848 27.896 1.000 13.310 1 1852 1
+ATOM ? O . MET . . 232 247 ? -28.278 -12.103 27.280 1.000 12.080 1 1853 1
+ATOM ? CB . MET . . 232 247 ? -27.985 -14.454 29.531 1.000 15.660 1 1854 1
+ATOM ? CG . MET . . 232 247 ? -27.498 -15.867 29.806 1.000 19.680 1 1855 1
+ATOM ? SD . MET . . 232 247 ? -26.706 -16.072 31.413 1.000 17.440 1 1856 1
+ATOM ? CE . MET . . 232 247 ? -28.118 -16.151 32.471 1.000 8.760 1 1857 1
+ATOM ? N . LYS . . 233 248 ? -30.228 -12.447 28.335 1.000 13.090 1 1858 1
+ATOM ? CA . LYS . . 233 248 ? -30.666 -11.073 28.134 1.000 15.150 1 1859 1
+ATOM ? C . LYS . . 233 248 ? -30.529 -10.326 29.452 1.000 12.730 1 1860 1
+ATOM ? O . LYS . . 233 248 ? -31.193 -10.664 30.425 1.000 13.860 1 1861 1
+ATOM ? CB . LYS . . 233 248 ? -32.126 -11.036 27.674 1.000 14.110 1 1862 1
+ATOM ? CG . LYS . . 233 248 ? -32.742 -9.637 27.650 1.000 16.910 1 1863 1
+ATOM ? CD . LYS . . 233 248 ? -33.969 -9.585 26.728 1.000 18.250 1 1864 1
+ATOM ? CE . LYS . . 233 248 ? -34.376 -8.136 26.411 1.000 17.830 1 1865 1
+ATOM ? NZ . LYS . . 233 248 ? -35.607 -8.062 25.573 1.000 14.390 1 1866 1
+ATOM ? N . SER . . 234 249 ? -29.662 -9.324 29.490 1.000 13.050 1 1867 1
+ATOM ? CA . SER . . 234 249 ? -29.483 -8.557 30.718 1.000 15.410 1 1868 1
+ATOM ? C . SER . . 234 249 ? -30.740 -7.788 31.113 1.000 17.260 1 1869 1
+ATOM ? O . SER . . 234 249 ? -31.319 -7.063 30.307 1.000 16.470 1 1870 1
+ATOM ? CB . SER . . 234 249 ? -28.325 -7.560 30.575 1.000 18.880 1 1871 1
+ATOM ? OG . SER . . 234 249 ? -28.416 -6.548 31.575 1.000 20.790 1 1872 1
+ATOM ? N . PRO . . 235 250 ? -31.191 -7.950 32.365 1.000 18.940 1 1873 1
+ATOM ? CA . PRO . . 235 250 ? -32.386 -7.235 32.820 1.000 17.080 1 1874 1
+ATOM ? C . PRO . . 235 250 ? -32.055 -5.776 33.182 1.000 18.010 1 1875 1
+ATOM ? O . PRO . . 235 250 ? -32.944 -5.010 33.541 1.000 20.860 1 1876 1
+ATOM ? CB . PRO . . 235 250 ? -32.829 -8.037 34.039 1.000 19.610 1 1877 1
+ATOM ? CG . PRO . . 235 250 ? -31.531 -8.561 34.603 1.000 19.240 1 1878 1
+ATOM ? CD . PRO . . 235 250 ? -30.635 -8.826 33.415 1.000 16.840 1 1879 1
+ATOM ? N . PHE . . 236 251 ? -30.779 -5.409 33.074 1.000 18.090 1 1880 1
+ATOM ? CA . PHE . . 236 251 ? -30.314 -4.059 33.404 1.000 19.850 1 1881 1
+ATOM ? C . PHE . . 236 251 ? -30.338 -3.120 32.212 1.000 20.740 1 1882 1
+ATOM ? O . PHE . . 236 251 ? -30.746 -1.968 32.340 1.000 17.990 1 1883 1
+ATOM ? CB . PHE . . 236 251 ? -28.888 -4.107 33.968 1.000 21.140 1 1884 1
+ATOM ? CG . PHE . . 236 251 ? -28.741 -5.015 35.153 1.000 26.550 1 1885 1
+ATOM ? CD1 . PHE . . 236 251 ? -29.304 -4.676 36.377 1.000 28.260 1 1886 1
+ATOM ? CD2 . PHE . . 236 251 ? -28.081 -6.232 35.035 1.000 27.750 1 1887 1
+ATOM ? CE1 . PHE . . 236 251 ? -29.218 -5.541 37.472 1.000 27.340 1 1888 1
+ATOM ? CE2 . PHE . . 236 251 ? -27.989 -7.105 36.119 1.000 28.120 1 1889 1
+ATOM ? CZ . PHE . . 236 251 ? -28.562 -6.757 37.341 1.000 28.870 1 1890 1
+ATOM ? N . ASN . . 237 252 ? -29.900 -3.604 31.052 1.000 17.760 1 1891 1
+ATOM ? CA . ASN . . 237 252 ? -29.885 -2.757 29.874 1.000 17.940 1 1892 1
+ATOM ? C . ASN . . 237 252 ? -30.590 -3.352 28.653 1.000 19.660 1 1893 1
+ATOM ? O . ASN . . 237 252 ? -30.479 -2.825 27.558 1.000 17.490 1 1894 1
+ATOM ? CB . ASN . . 237 252 ? -28.450 -2.382 29.524 1.000 16.970 1 1895 1
+ATOM ? CG . ASN . . 237 252 ? -27.620 -3.571 29.082 1.000 15.950 1 1896 1
+ATOM ? OD1 . ASN . . 237 252 ? -26.427 -3.434 28.843 1.000 19.440 1 1897 1
+ATOM ? ND2 . ASN . . 237 252 ? -28.242 -4.734 28.968 1.000 13.200 1 1898 1
+ATOM ? N . ASN . . 238 253 ? -31.292 -4.463 28.856 1.000 19.640 1 1899 1
+ATOM ? CA . ASN . . 238 253 ? -32.060 -5.115 27.798 1.000 20.880 1 1900 1
+ATOM ? C . ASN . . 238 253 ? -31.315 -5.670 26.600 1.000 18.620 1 1901 1
+ATOM ? O . ASN . . 238 253 ? -31.935 -5.941 25.571 1.000 19.950 1 1902 1
+ATOM ? CB . ASN . . 238 253 ? -33.121 -4.152 27.285 1.000 27.820 1 1903 1
+ATOM ? CG . ASN . . 238 253 ? -34.487 -4.538 27.726 1.000 33.830 1 1904 1
+ATOM ? OD1 . ASN . . 238 253 ? -34.791 -4.509 28.923 1.000 36.280 1 1905 1
+ATOM ? ND2 . ASN . . 238 253 ? -35.337 -4.919 26.766 1.000 38.220 1 1906 1
+ATOM ? N . ARG . . 239 254 ? -30.004 -5.832 26.723 1.000 13.690 1 1907 1
+ATOM ? CA . ARG . . 239 254 ? -29.197 -6.357 25.641 1.000 16.310 1 1908 1
+ATOM ? C . ARG . . 239 254 ? -28.921 -7.845 25.806 1.000 15.190 1 1909 1
+ATOM ? O . ARG . . 239 254 ? -28.909 -8.369 26.925 1.000 10.610 1 1910 1
+ATOM ? CB . ARG . . 239 254 ? -27.853 -5.632 25.576 1.000 16.970 1 1911 1
+ATOM ? CG . ARG . . 239 254 ? -27.935 -4.183 25.177 1.000 20.100 1 1912 1
+ATOM ? CD . ARG . . 239 254 ? -26.540 -3.606 25.099 1.000 20.990 1 1913 1
+ATOM ? NE . ARG . . 239 254 ? -26.571 -2.153 25.023 1.000 23.380 1 1914 1
+ATOM ? CZ . ARG . . 239 254 ? -26.205 -1.456 23.955 1.000 25.990 1 1915 1
+ATOM ? NH1 . ARG . . 239 254 ? -25.778 -2.077 22.860 1.000 23.000 1 1916 1
+ATOM ? NH2 . ARG . . 239 254 ? -26.261 -0.132 23.987 1.000 27.030 1 1917 1
+ATOM ? N . TRP . . 240 255 ? -28.678 -8.512 24.681 1.000 12.840 1 1918 1
+ATOM ? CA . TRP . . 240 255 ? -28.366 -9.939 24.698 1.000 13.320 1 1919 1
+ATOM ? C . TRP . . 240 255 ? -26.851 -10.097 24.767 1.000 9.800 1 1920 1
+ATOM ? O . TRP . . 240 255 ? -26.115 -9.425 24.043 1.000 10.000 1 1921 1
+ATOM ? CB . TRP . . 240 255 ? -28.900 -10.624 23.432 1.000 13.000 1 1922 1
+ATOM ? CG . TRP . . 240 255 ? -30.388 -10.783 23.450 1.000 13.140 1 1923 1
+ATOM ? CD1 . TRP . . 240 255 ? -31.308 -9.892 22.981 1.000 14.100 1 1924 1
+ATOM ? CD2 . TRP . . 240 255 ? -31.133 -11.877 24.002 1.000 13.010 1 1925 1
+ATOM ? NE1 . TRP . . 240 255 ? -32.578 -10.356 23.206 1.000 11.760 1 1926 1
+ATOM ? CE2 . TRP . . 240 255 ? -32.504 -11.573 23.829 1.000 14.760 1 1927 1
+ATOM ? CE3 . TRP . . 240 255 ? -30.780 -13.079 24.620 1.000 13.340 1 1928 1
+ATOM ? CZ2 . TRP . . 240 255 ? -33.527 -12.434 24.256 1.000 12.610 1 1929 1
+ATOM ? CZ3 . TRP . . 240 255 ? -31.798 -13.939 25.045 1.000 12.240 1 1930 1
+ATOM ? CH2 . TRP . . 240 255 ? -33.156 -13.608 24.857 1.000 15.760 1 1931 1
+ATOM ? N . TYR . . 241 256 ? -26.394 -10.988 25.638 1.000 9.240 1 1932 1
+ATOM ? CA . TYR . . 241 256 ? -24.961 -11.226 25.806 1.000 11.220 1 1933 1
+ATOM ? C . TYR . . 241 256 ? -24.648 -12.703 25.617 1.000 8.720 1 1934 1
+ATOM ? O . TYR . . 241 256 ? -25.395 -13.556 26.090 1.000 9.540 1 1935 1
+ATOM ? CB . TYR . . 241 256 ? -24.519 -10.833 27.222 1.000 13.060 1 1936 1
+ATOM ? CG . TYR . . 241 256 ? -24.449 -9.341 27.477 1.000 13.320 1 1937 1
+ATOM ? CD1 . TYR . . 241 256 ? -23.251 -8.654 27.328 1.000 12.740 1 1938 1
+ATOM ? CD2 . TYR . . 241 256 ? -25.579 -8.626 27.890 1.000 13.800 1 1939 1
+ATOM ? CE1 . TYR . . 241 256 ? -23.168 -7.282 27.585 1.000 16.160 1 1940 1
+ATOM ? CE2 . TYR . . 241 256 ? -25.507 -7.251 28.148 1.000 16.430 1 1941 1
+ATOM ? CZ . TYR . . 241 256 ? -24.295 -6.593 27.991 1.000 18.410 1 1942 1
+ATOM ? OH . TYR . . 241 256 ? -24.214 -5.241 28.232 1.000 20.770 1 1943 1
+ATOM ? N . GLN . . 242 257 ? -23.547 -12.997 24.938 1.000 10.580 1 1944 1
+ATOM ? CA . GLN . . 242 257 ? -23.150 -14.385 24.756 1.000 11.910 1 1945 1
+ATOM ? C . GLN . . 242 257 ? -22.270 -14.774 25.954 1.000 11.420 1 1946 1
+ATOM ? O . GLN . . 242 257 ? -21.112 -14.362 26.047 1.000 10.310 1 1947 1
+ATOM ? CB . GLN . . 242 257 ? -22.356 -14.582 23.465 1.000 11.680 1 1948 1
+ATOM ? CG . GLN . . 242 257 ? -21.958 -16.042 23.277 1.000 10.540 1 1949 1
+ATOM ? CD . GLN . . 242 257 ? -21.390 -16.349 21.919 1.000 11.000 1 1950 1
+ATOM ? OE1 . GLN . . 242 257 ? -21.386 -15.504 21.021 1.000 13.970 1 1951 1
+ATOM ? NE2 . GLN . . 242 257 ? -20.874 -17.563 21.765 1.000 8.310 1 1952 1
+ATOM ? N . MET . . 243 258 ? -22.833 -15.558 26.858 1.000 13.750 1 1953 1
+ATOM ? CA . MET . . 243 258 ? -22.125 -16.004 28.049 1.000 12.850 1 1954 1
+ATOM ? C . MET . . 243 258 ? -21.322 -17.274 27.801 1.000 15.560 1 1955 1
+ATOM ? O . MET . . 243 258 ? -20.295 -17.494 28.440 1.000 15.420 1 1956 1
+ATOM ? CB . MET . . 243 258 ? -23.131 -16.244 29.166 1.000 8.200 1 1957 1
+ATOM ? CG . MET . . 243 258 ? -24.031 -15.048 29.430 1.000 18.960 1 1958 1
+ATOM ? SD . MET . . 243 258 ? -23.088 -13.543 29.747 1.000 25.350 1 1959 1
+ATOM ? CE . MET . . 243 258 ? -22.241 -13.986 31.262 1.000 25.770 1 1960 1
+ATOM ? N . GLY . . 244 259 ? -21.799 -18.111 26.876 1.000 16.650 1 1961 1
+ATOM ? CA . GLY . . 244 259 ? -21.095 -19.348 26.578 1.000 13.210 1 1962 1
+ATOM ? C . GLY . . 244 259 ? -21.034 -19.777 25.125 1.000 11.010 1 1963 1
+ATOM ? O . GLY . . 244 259 ? -21.647 -19.174 24.245 1.000 13.560 1 1964 1
+ATOM ? N . ILE . . 245 260 ? -20.243 -20.810 24.874 1.000 12.360 1 1965 1
+ATOM ? CA . ILE . . 245 260 ? -20.116 -21.413 23.547 1.000 11.260 1 1966 1
+ATOM ? C . ILE . . 245 260 ? -20.400 -22.904 23.765 1.000 15.220 1 1967 1
+ATOM ? O . ILE . . 245 260 ? -19.779 -23.515 24.641 1.000 13.390 1 1968 1
+ATOM ? CB . ILE . . 245 260 ? -18.694 -21.285 22.979 1.000 13.590 1 1969 1
+ATOM ? CG1 . ILE . . 245 260 ? -18.351 -19.818 22.712 1.000 12.190 1 1970 1
+ATOM ? CG2 . ILE . . 245 260 ? -18.581 -22.061 21.672 1.000 12.260 1 1971 1
+ATOM ? CD1 . ILE . . 245 260 ? -16.857 -19.579 22.510 1.000 11.880 1 1972 1
+ATOM ? N . VAL . . 246 261 ? -21.351 -23.477 23.013 1.000 12.470 1 1973 1
+ATOM ? CA . VAL . . 246 261 ? -21.672 -24.906 23.128 1.000 11.590 1 1974 1
+ATOM ? C . VAL . . 246 261 ? -20.360 -25.661 22.896 1.000 11.190 1 1975 1
+ATOM ? O . VAL . . 246 261 ? -19.786 -25.629 21.794 1.000 9.450 1 1976 1
+ATOM ? CB . VAL . . 246 261 ? -22.718 -25.344 22.058 1.000 14.460 1 1977 1
+ATOM ? CG1 . VAL . . 246 261 ? -23.062 -26.834 22.230 1.000 11.970 1 1978 1
+ATOM ? CG2 . VAL . . 246 261 ? -23.971 -24.496 22.178 1.000 12.070 1 1979 1
+ATOM ? N . SER . . 247 262 ? -19.890 -26.363 23.923 1.000 12.470 1 1980 1
+ATOM ? CA . SER . . 247 262 ? -18.598 -27.028 23.818 1.000 12.410 1 1981 1
+ATOM ? C . SER . . 247 262 ? -18.592 -28.549 23.785 1.000 13.720 1 1982 1
+ATOM ? O . SER . . 247 262 ? -18.124 -29.134 22.821 1.000 16.090 1 1983 1
+ATOM ? CB . SER . . 247 262 ? -17.689 -26.535 24.951 1.000 13.530 1 1984 1
+ATOM ? OG . SER . . 247 262 ? -16.410 -27.128 24.867 1.000 14.710 1 1985 1
+ATOM ? N . TRP . . 248 263 ? -19.086 -29.203 24.829 1.000 15.660 1 1986 1
+ATOM ? CA . TRP . . 248 263 ? -19.090 -30.656 24.794 1.000 18.070 1 1987 1
+ATOM ? C . TRP . . 248 263 ? -20.150 -31.273 25.670 1.000 19.390 1 1988 1
+ATOM ? O . TRP . . 248 263 ? -20.687 -30.643 26.589 1.000 19.310 1 1989 1
+ATOM ? CB . TRP . . 248 263 ? -17.688 -31.230 25.130 1.000 18.160 1 1990 1
+ATOM ? CG . TRP . . 248 263 ? -17.187 -30.964 26.544 1.000 22.460 1 1991 1
+ATOM ? CD1 . TRP . . 248 263 ? -16.498 -29.864 26.979 1.000 20.980 1 1992 1
+ATOM ? CD2 . TRP . . 248 263 ? -17.354 -31.809 27.697 1.000 22.220 1 1993 1
+ATOM ? NE1 . TRP . . 248 263 ? -16.230 -29.968 28.327 1.000 21.010 1 1994 1
+ATOM ? CE2 . TRP . . 248 263 ? -16.744 -31.151 28.792 1.000 23.520 1 1995 1
+ATOM ? CE3 . TRP . . 248 263 ? -17.960 -33.056 27.911 1.000 23.190 1 1996 1
+ATOM ? CZ2 . TRP . . 248 263 ? -16.725 -31.701 30.087 1.000 24.010 1 1997 1
+ATOM ? CZ3 . TRP . . 248 263 ? -17.941 -33.601 29.199 1.000 23.770 1 1998 1
+ATOM ? CH2 . TRP . . 248 263 ? -17.327 -32.920 30.267 1.000 23.730 1 1999 1
+ATOM ? N . GLY . . 249 264 ? -20.488 -32.509 25.335 1.000 19.230 1 2000 1
+ATOM ? CA . GLY . . 249 264 ? -21.480 -33.233 26.093 1.000 20.150 1 2001 1
+ATOM ? C . GLY . . 249 264 ? -21.287 -34.711 25.830 1.000 19.410 1 2002 1
+ATOM ? O . GLY . . 249 264 ? -20.533 -35.101 24.949 1.000 20.050 1 2003 1
+ATOM ? N . GLU . . 250 265 ? -21.961 -35.536 26.609 1.000 18.970 1 2004 1
+ATOM ? CA . GLU . . 250 265 ? -21.875 -36.977 26.440 1.000 21.220 1 2005 1
+ATOM ? C . GLU . . 250 265 ? -23.297 -37.362 26.064 1.000 19.690 1 2006 1
+ATOM ? O . GLU . . 250 265 ? -24.169 -37.485 26.916 1.000 20.820 1 2007 1
+ATOM ? CB . GLU . . 250 265 ? -21.403 -37.611 27.756 1.000 24.330 1 2008 1
+ATOM ? CG . GLU . . 250 265 ? -20.003 -37.091 28.143 1.000 25.600 1 2009 1
+ATOM ? CD . GLU . . 250 265 ? -19.570 -37.439 29.563 1.000 29.590 1 2010 1
+ATOM ? OE1 . GLU . . 250 265 ? -20.288 -37.109 30.526 1.000 31.470 1 2011 1
+ATOM ? OE2 . GLU . . 250 265 ? -18.489 -38.041 29.712 1.000 33.960 1 2012 1
+ATOM ? N . GLY . . 251 266 ? -23.523 -37.500 24.762 1.000 20.770 1 2013 1
+ATOM ? CA . GLY . . 251 266 ? -24.855 -37.800 24.268 1.000 23.040 1 2014 1
+ATOM ? C . GLY . . 251 266 ? -25.600 -36.473 24.139 1.000 23.300 1 2015 1
+ATOM ? O . GLY . . 251 266 ? -24.970 -35.405 24.152 1.000 21.570 1 2016 1
+ATOM ? N . CYS . . 252 267 ? -26.924 -36.537 24.017 1.000 21.250 1 2017 1
+ATOM ? CA . CYS . . 252 267 ? -27.772 -35.350 23.904 1.000 20.230 1 2018 1
+ATOM ? C . CYS . . 252 267 ? -29.038 -35.591 24.697 1.000 20.080 1 2019 1
+ATOM ? O . CYS . . 252 267 ? -29.744 -36.576 24.456 1.000 21.840 1 2020 1
+ATOM ? CB . CYS . . 252 267 ? -28.177 -35.077 22.451 1.000 16.480 1 2021 1
+ATOM ? SG . CYS . . 252 267 ? -26.820 -35.016 21.265 1.000 20.870 1 2022 1
+ATOM ? N . ASP . . 253 268 ? -29.329 -34.701 25.640 1.000 16.700 1 2023 1
+ATOM ? CA . ASP . . 253 268 ? -30.527 -34.809 26.456 1.000 18.290 1 2024 1
+ATOM ? C . ASP . . 253 268 ? -30.656 -36.095 27.293 1.000 22.250 1 2025 1
+ATOM ? O . ASP . . 253 268 ? -31.763 -36.613 27.483 1.000 21.330 1 2026 1
+ATOM ? CB . ASP . . 253 268 ? -31.773 -34.632 25.574 1.000 20.560 1 2027 1
+ATOM ? CG . ASP . . 253 268 ? -32.963 -34.119 26.349 1.000 22.190 1 2028 1
+ATOM ? OD1 . ASP . . 253 268 ? -32.771 -33.288 27.265 1.000 25.970 1 2029 1
+ATOM ? OD2 . ASP . . 253 268 ? -34.099 -34.547 26.058 1.000 27.490 1 2030 1
+ATOM ? N . ARG . . 254 269 ? -29.534 -36.602 27.798 1.000 22.700 1 2031 1
+ATOM ? CA . ARG . . 254 269 ? -29.554 -37.801 28.644 1.000 24.920 1 2032 1
+ATOM ? C . ARG . . 254 269 ? -29.832 -37.377 30.080 1.000 25.780 1 2033 1
+ATOM ? O . ARG . . 254 269 ? -29.278 -36.383 30.543 1.000 27.310 1 2034 1
+ATOM ? CB . ARG . . 254 269 ? -28.202 -38.512 28.603 1.000 22.340 1 2035 1
+ATOM ? CG . ARG . . 254 269 ? -27.730 -38.873 27.222 1.000 27.700 1 2036 1
+ATOM ? CD . ARG . . 254 269 ? -27.112 -40.259 27.201 1.000 31.920 1 2037 1
+ATOM ? NE . ARG . . 254 269 ? -26.428 -40.516 25.940 1.000 35.140 1 2038 1
+ATOM ? CZ . ARG . . 254 269 ? -25.263 -41.144 25.836 1.000 37.220 1 2039 1
+ATOM ? NH1 . ARG . . 254 269 ? -24.644 -41.586 26.920 1.000 41.440 1 2040 1
+ATOM ? NH2 . ARG . . 254 269 ? -24.705 -41.312 24.647 1.000 38.440 1 2041 1
+ATOM ? N . ASP . . 255 270 ? -30.682 -38.112 30.789 1.000 26.050 1 2042 1
+ATOM ? CA . ASP . . 255 270 ? -30.979 -37.773 32.183 1.000 27.320 1 2043 1
+ATOM ? C . ASP . . 255 270 ? -29.693 -37.828 33.022 1.000 27.450 1 2044 1
+ATOM ? O . ASP . . 255 270 ? -28.849 -38.713 32.828 1.000 26.650 1 2045 1
+ATOM ? CB . ASP . . 255 270 ? -32.000 -38.755 32.779 1.000 31.510 1 2046 1
+ATOM ? CG . ASP . . 255 270 ? -33.399 -38.602 32.184 1.000 37.900 1 2047 1
+ATOM ? OD1 . ASP . . 255 270 ? -33.740 -37.510 31.672 1.000 36.880 1 2048 1
+ATOM ? OD2 . ASP . . 255 270 ? -34.166 -39.589 32.237 1.000 41.370 1 2049 1
+ATOM ? N . GLY . . 256 271 ? -29.544 -36.885 33.949 1.000 25.290 1 2050 1
+ATOM ? CA . GLY . . 256 271 ? -28.364 -36.868 34.795 1.000 26.040 1 2051 1
+ATOM ? C . GLY . . 256 271 ? -27.086 -36.432 34.107 1.000 26.370 1 2052 1
+ATOM ? O . GLY . . 256 271 ? -25.998 -36.522 34.685 1.000 27.620 1 2053 1
+ATOM ? N . LYS . . 257 272 ? -27.208 -35.964 32.868 1.000 23.650 1 2054 1
+ATOM ? CA . LYS . . 257 272 ? -26.058 -35.489 32.113 1.000 20.790 1 2055 1
+ATOM ? C . LYS . . 257 272 ? -26.307 -34.019 31.750 1.000 21.580 1 2056 1
+ATOM ? O . LYS . . 257 272 ? -27.455 -33.578 31.681 1.000 18.430 1 2057 1
+ATOM ? CB . LYS . . 257 272 ? -25.870 -36.332 30.853 1.000 24.120 1 2058 1
+ATOM ? CG . LYS . . 257 272 ? -25.312 -37.731 31.146 1.000 27.720 1 2059 1
+ATOM ? CD . LYS . . 257 272 ? -23.802 -37.671 31.340 1.000 28.080 1 2060 1
+ATOM ? CE . LYS . . 257 272 ? -23.251 -38.948 31.942 1.000 32.400 1 2061 1
+ATOM ? NZ . LYS . . 257 272 ? -21.765 -38.860 32.079 1.000 33.030 1 2062 1
+ATOM ? N . TYR . . 258 273 ? -25.238 -33.263 31.524 1.000 19.130 1 2063 1
+ATOM ? CA . TYR . . 258 273 ? -25.389 -31.851 31.212 1.000 20.000 1 2064 1
+ATOM ? C . TYR . . 258 273 ? -24.496 -31.375 30.087 1.000 17.300 1 2065 1
+ATOM ? O . TYR . . 258 273 ? -23.438 -31.949 29.824 1.000 17.800 1 2066 1
+ATOM ? CB . TYR . . 258 273 ? -25.122 -31.013 32.474 1.000 17.370 1 2067 1
+ATOM ? CG . TYR . . 258 273 ? -25.998 -31.418 33.632 1.000 18.450 1 2068 1
+ATOM ? CD1 . TYR . . 258 273 ? -25.588 -32.400 34.537 1.000 19.600 1 2069 1
+ATOM ? CD2 . TYR . . 258 273 ? -27.264 -30.864 33.792 1.000 17.080 1 2070 1
+ATOM ? CE1 . TYR . . 258 273 ? -26.429 -32.824 35.570 1.000 21.930 1 2071 1
+ATOM ? CE2 . TYR . . 258 273 ? -28.110 -31.278 34.817 1.000 18.870 1 2072 1
+ATOM ? CZ . TYR . . 258 273 ? -27.689 -32.261 35.700 1.000 22.860 1 2073 1
+ATOM ? OH . TYR . . 258 273 ? -28.550 -32.705 36.684 1.000 23.490 1 2074 1
+ATOM ? N . GLY . . 259 274 ? -24.932 -30.310 29.423 1.000 16.320 1 2075 1
+ATOM ? CA . GLY . . 259 274 ? -24.142 -29.751 28.347 1.000 13.940 1 2076 1
+ATOM ? C . GLY . . 259 274 ? -23.098 -28.837 28.961 1.000 12.620 1 2077 1
+ATOM ? O . GLY . . 259 274 ? -23.389 -28.155 29.945 1.000 12.760 1 2078 1
+ATOM ? N . PHE . . 260 275 ? -21.892 -28.845 28.400 1.000 12.620 1 2079 1
+ATOM ? CA . PHE . . 260 275 ? -20.807 -28.008 28.880 1.000 14.020 1 2080 1
+ATOM ? C . PHE . . 260 275 ? -20.534 -26.902 27.882 1.000 14.960 1 2081 1
+ATOM ? O . PHE . . 260 275 ? -20.547 -27.123 26.671 1.000 13.820 1 2082 1
+ATOM ? CB . PHE . . 260 275 ? -19.548 -28.852 29.125 1.000 17.150 1 2083 1
+ATOM ? CG . PHE . . 260 275 ? -19.578 -29.564 30.440 1.000 17.620 1 2084 1
+ATOM ? CD1 . PHE . . 260 275 ? -20.283 -30.753 30.581 1.000 19.880 1 2085 1
+ATOM ? CD2 . PHE . . 260 275 ? -19.010 -28.986 31.575 1.000 21.540 1 2086 1
+ATOM ? CE1 . PHE . . 260 275 ? -20.436 -31.352 31.831 1.000 21.610 1 2087 1
+ATOM ? CE2 . PHE . . 260 275 ? -19.156 -29.576 32.829 1.000 21.170 1 2088 1
+ATOM ? CZ . PHE . . 260 275 ? -19.871 -30.758 32.956 1.000 21.210 1 2089 1
+ATOM ? N . TYR . . 261 276 ? -20.282 -25.713 28.418 1.000 14.310 1 2090 1
+ATOM ? CA . TYR . . 261 276 ? -20.061 -24.516 27.632 1.000 11.870 1 2091 1
+ATOM ? C . TYR . . 261 276 ? -18.795 -23.770 28.009 1.000 12.230 1 2092 1
+ATOM ? O . TYR . . 261 276 ? -18.469 -23.656 29.186 1.000 15.100 1 2093 1
+ATOM ? CB . TYR . . 261 276 ? -21.246 -23.568 27.852 1.000 8.590 1 2094 1
+ATOM ? CG . TYR . . 261 276 ? -22.570 -24.162 27.473 1.000 14.510 1 2095 1
+ATOM ? CD1 . TYR . . 261 276 ? -23.211 -25.091 28.298 1.000 11.850 1 2096 1
+ATOM ? CD2 . TYR . . 261 276 ? -23.165 -23.839 26.253 1.000 10.930 1 2097 1
+ATOM ? CE1 . TYR . . 261 276 ? -24.405 -25.687 27.909 1.000 14.600 1 2098 1
+ATOM ? CE2 . TYR . . 261 276 ? -24.353 -24.428 25.863 1.000 11.020 1 2099 1
+ATOM ? CZ . TYR . . 261 276 ? -24.967 -25.346 26.679 1.000 14.460 1 2100 1
+ATOM ? OH . TYR . . 261 276 ? -26.126 -25.947 26.252 1.000 14.330 1 2101 1
+ATOM ? N . THR . . 262 277 ? -18.109 -23.229 27.011 1.000 11.320 1 2102 1
+ATOM ? CA . THR . . 262 277 ? -16.912 -22.430 27.247 1.000 12.760 1 2103 1
+ATOM ? C . THR . . 262 277 ? -17.336 -21.123 27.922 1.000 14.140 1 2104 1
+ATOM ? O . THR . . 262 277 ? -18.302 -20.455 27.499 1.000 11.910 1 2105 1
+ATOM ? CB . THR . . 262 277 ? -16.210 -22.106 25.933 1.000 12.720 1 2106 1
+ATOM ? OG1 . THR . . 262 277 ? -15.907 -23.323 25.259 1.000 15.650 1 2107 1
+ATOM ? CG2 . THR . . 262 277 ? -14.907 -21.331 26.164 1.000 14.380 1 2108 1
+ATOM ? N . HIS . . 263 278 ? -16.614 -20.769 28.981 1.000 13.730 1 2109 1
+ATOM ? CA . HIS . . 263 278 ? -16.877 -19.552 29.754 1.000 13.680 1 2110 1
+ATOM ? C . HIS . . 263 278 ? -16.290 -18.383 28.970 1.000 15.060 1 2111 1
+ATOM ? O . HIS . . 263 278 ? -15.092 -18.099 29.063 1.000 13.340 1 2112 1
+ATOM ? CB . HIS . . 263 278 ? -16.197 -19.679 31.119 1.000 17.710 1 2113 1
+ATOM ? CG . HIS . . 263 278 ? -16.761 -18.778 32.163 1.000 19.520 1 2114 1
+ATOM ? ND1 . HIS . . 263 278 ? -16.738 -17.407 32.046 1.000 21.250 1 2115 1
+ATOM ? CD2 . HIS . . 263 278 ? -17.325 -19.048 33.364 1.000 20.940 1 2116 1
+ATOM ? CE1 . HIS . . 263 278 ? -17.262 -16.868 33.133 1.000 19.410 1 2117 1
+ATOM ? NE2 . HIS . . 263 278 ? -17.627 -17.841 33.945 1.000 21.480 1 2118 1
+ATOM ? N . VAL . . 264 279 ? -17.131 -17.694 28.202 1.000 13.930 1 2119 1
+ATOM ? CA . VAL . . 264 279 ? -16.654 -16.598 27.365 1.000 11.590 1 2120 1
+ATOM ? C . VAL . . 264 279 ? -15.958 -15.447 28.096 1.000 10.810 1 2121 1
+ATOM ? O . VAL . . 264 279 ? -14.909 -14.974 27.651 1.000 12.820 1 2122 1
+ATOM ? CB . VAL . . 264 279 ? -17.801 -16.020 26.484 1.000 11.890 1 2123 1
+ATOM ? CG1 . VAL . . 264 279 ? -17.296 -14.807 25.708 1.000 14.140 1 2124 1
+ATOM ? CG2 . VAL . . 264 279 ? -18.285 -17.086 25.502 1.000 8.100 1 2125 1
+ATOM ? N . PHE . . 265 280 ? -16.532 -14.983 29.196 1.000 11.530 1 2126 1
+ATOM ? CA . PHE . . 265 280 ? -15.899 -13.886 29.907 1.000 14.970 1 2127 1
+ATOM ? C . PHE . . 265 280 ? -14.499 -14.248 30.379 1.000 17.990 1 2128 1
+ATOM ? O . PHE . . 265 280 ? -13.564 -13.450 30.276 1.000 17.530 1 2129 1
+ATOM ? CB . PHE . . 265 280 ? -16.722 -13.453 31.116 1.000 15.990 1 2130 1
+ATOM ? CG . PHE . . 265 280 ? -16.018 -12.427 31.949 1.000 20.070 1 2131 1
+ATOM ? CD1 . PHE . . 265 280 ? -15.712 -11.177 31.405 1.000 19.440 1 2132 1
+ATOM ? CD2 . PHE . . 265 280 ? -15.534 -12.749 33.213 1.000 20.430 1 2133 1
+ATOM ? CE1 . PHE . . 265 280 ? -14.922 -10.271 32.099 1.000 23.840 1 2134 1
+ATOM ? CE2 . PHE . . 265 280 ? -14.739 -11.845 33.920 1.000 23.500 1 2135 1
+ATOM ? CZ . PHE . . 265 280 ? -14.433 -10.606 33.358 1.000 23.530 1 2136 1
+ATOM ? N . ARG . . 266 281 ? -14.356 -15.460 30.898 1.000 18.700 1 2137 1
+ATOM ? CA . ARG . . 266 281 ? -13.070 -15.926 31.383 1.000 21.880 1 2138 1
+ATOM ? C . ARG . . 266 281 ? -12.000 -15.869 30.299 1.000 23.340 1 2139 1
+ATOM ? O . ARG . . 266 281 ? -10.817 -15.762 30.601 1.000 24.230 1 2140 1
+ATOM ? CB . ARG . . 266 281 ? -13.213 -17.355 31.900 1.000 25.960 1 2141 1
+ATOM ? CG . ARG . . 266 281 ? -12.298 -17.694 33.043 1.000 37.170 1 2142 1
+ATOM ? CD . ARG . . 266 281 ? -13.042 -17.766 34.357 1.000 38.320 1 2143 1
+ATOM ? NE . ARG . . 266 281 ? -12.268 -18.486 35.367 1.000 46.040 1 2144 1
+ATOM ? CZ . ARG . . 266 281 ? -10.960 -18.330 35.575 1.000 48.730 1 2145 1
+ATOM ? NH1 . ARG . . 266 281 ? -10.254 -17.473 34.847 1.000 52.150 1 2146 1
+ATOM ? NH2 . ARG . . 266 281 ? -10.350 -19.029 36.521 1.000 50.950 1 2147 1
+ATOM ? N . LEU . . 267 282 ? -12.407 -15.943 29.035 1.000 22.140 1 2148 1
+ATOM ? CA . LEU . . 267 282 ? -11.443 -15.905 27.938 1.000 20.930 1 2149 1
+ATOM ? C . LEU . . 267 282 ? -11.471 -14.601 27.132 1.000 21.890 1 2150 1
+ATOM ? O . LEU . . 267 282 ? -10.841 -14.504 26.074 1.000 20.170 1 2151 1
+ATOM ? CB . LEU . . 267 282 ? -11.685 -17.096 26.996 1.000 23.150 1 2152 1
+ATOM ? CG . LEU . . 267 282 ? -11.457 -18.450 27.672 1.000 22.410 1 2153 1
+ATOM ? CD1 . LEU . . 267 282 ? -12.155 -19.554 26.895 1.000 26.800 1 2154 1
+ATOM ? CD2 . LEU . . 267 282 ? -9.966 -18.712 27.761 1.000 25.650 1 2155 1
+ATOM ? N . LYS . . 268 283 ? -12.188 -13.601 27.632 1.000 23.120 1 2156 1
+ATOM ? CA . LYS . . 268 283 ? -12.299 -12.329 26.927 1.000 26.780 1 2157 1
+ATOM ? C . LYS . . 268 283 ? -10.970 -11.626 26.675 1.000 28.850 1 2158 1
+ATOM ? O . LYS . . 268 283 ? -10.801 -10.975 25.644 1.000 26.610 1 2159 1
+ATOM ? CB . LYS . . 268 283 ? -13.240 -11.389 27.680 1.000 29.140 1 2160 1
+ATOM ? CG . LYS . . 268 283 ? -13.830 -10.286 26.798 1.000 29.620 1 2161 1
+ATOM ? CD . LYS . . 268 283 ? -14.700 -9.356 27.619 1.000 30.680 1 2162 1
+ATOM ? CE . LYS . . 268 283 ? -14.915 -8.025 26.925 1.000 31.510 1 2163 1
+ATOM ? NZ . LYS . . 268 283 ? -16.055 -7.294 27.550 1.000 32.680 1 2164 1
+ATOM ? N . LYS . . 269 284 ? -10.025 -11.753 27.603 1.000 29.900 1 2165 1
+ATOM ? CA . LYS . . 269 284 ? -8.724 -11.112 27.421 1.000 32.330 1 2166 1
+ATOM ? C . LYS . . 269 284 ? -8.084 -11.612 26.131 1.000 30.650 1 2167 1
+ATOM ? O . LYS . . 269 284 ? -7.521 -10.834 25.359 1.000 30.360 1 2168 1
+ATOM ? CB . LYS . . 269 284 ? -7.801 -11.422 28.599 1.000 37.830 1 2169 1
+ATOM ? CG . LYS . . 269 284 ? -8.098 -10.607 29.851 1.000 45.190 1 2170 1
+ATOM ? CD . LYS . . 269 284 ? -8.409 -11.516 31.039 1.000 51.830 1 2171 1
+ATOM ? CE . LYS . . 269 284 ? -7.145 -11.875 31.824 1.000 54.720 1 2172 1
+ATOM ? NZ . LYS . . 269 284 ? -6.589 -10.701 32.571 1.000 57.200 1 2173 1
+ATOM ? N . TRP . . 270 285 ? -8.170 -12.917 25.896 1.000 26.290 1 2174 1
+ATOM ? CA . TRP . . 270 285 ? -7.597 -13.491 24.688 1.000 24.090 1 2175 1
+ATOM ? C . TRP . . 270 285 ? -8.336 -12.962 23.466 1.000 23.720 1 2176 1
+ATOM ? O . TRP . . 270 285 ? -7.725 -12.650 22.449 1.000 24.060 1 2177 1
+ATOM ? CB . TRP . . 270 285 ? -7.696 -15.016 24.703 1.000 22.010 1 2178 1
+ATOM ? CG . TRP . . 270 285 ? -7.233 -15.617 23.416 1.000 22.680 1 2179 1
+ATOM ? CD1 . TRP . . 270 285 ? -5.944 -15.743 22.988 1.000 22.860 1 2180 1
+ATOM ? CD2 . TRP . . 270 285 ? -8.057 -16.143 22.367 1.000 23.400 1 2181 1
+ATOM ? NE1 . TRP . . 270 285 ? -5.912 -16.311 21.738 1.000 22.810 1 2182 1
+ATOM ? CE2 . TRP . . 270 285 ? -7.195 -16.568 21.332 1.000 22.350 1 2183 1
+ATOM ? CE3 . TRP . . 270 285 ? -9.443 -16.295 22.201 1.000 21.370 1 2184 1
+ATOM ? CZ2 . TRP . . 270 285 ? -7.670 -17.137 20.144 1.000 23.070 1 2185 1
+ATOM ? CZ3 . TRP . . 270 285 ? -9.914 -16.859 21.019 1.000 20.030 1 2186 1
+ATOM ? CH2 . TRP . . 270 285 ? -9.027 -17.274 20.009 1.000 22.100 1 2187 1
+ATOM ? N . ILE . . 271 286 ? -9.658 -12.868 23.573 1.000 22.790 1 2188 1
+ATOM ? CA . ILE . . 271 286 ? -10.460 -12.384 22.462 1.000 23.410 1 2189 1
+ATOM ? C . ILE . . 271 286 ? -10.021 -10.980 22.072 1.000 23.990 1 2190 1
+ATOM ? O . ILE . . 271 286 ? -9.690 -10.734 20.917 1.000 23.850 1 2191 1
+ATOM ? CB . ILE . . 271 286 ? -11.964 -12.403 22.811 1.000 21.680 1 2192 1
+ATOM ? CG1 . ILE . . 271 286 ? -12.449 -13.860 22.877 1.000 20.530 1 2193 1
+ATOM ? CG2 . ILE . . 271 286 ? -12.763 -11.636 21.762 1.000 20.070 1 2194 1
+ATOM ? CD1 . ILE . . 271 286 ? -13.824 -14.013 23.464 1.000 21.960 1 2195 1
+ATOM ? N . GLN . . 272 287 ? -9.994 -10.073 23.040 1.000 27.340 1 2196 1
+ATOM ? CA . GLN . . 272 287 ? -9.582 -8.695 22.776 1.000 29.380 1 2197 1
+ATOM ? C . GLN . . 272 287 ? -8.157 -8.621 22.232 1.000 29.130 1 2198 1
+ATOM ? O . GLN . . 272 287 ? -7.850 -7.794 21.377 1.000 28.880 1 2199 1
+ATOM ? CB . GLN . . 272 287 ? -9.692 -7.867 24.052 1.000 32.400 1 2200 1
+ATOM ? CG . GLN . . 272 287 ? -11.039 -7.193 24.219 1.000 38.930 1 2201 1
+ATOM ? CD . GLN . . 272 287 ? -11.360 -6.872 25.669 1.000 43.920 1 2202 1
+ATOM ? OE1 . GLN . . 272 287 ? -10.718 -7.380 26.591 1.000 46.020 1 2203 1
+ATOM ? NE2 . GLN . . 272 287 ? -12.360 -6.024 25.877 1.000 45.920 1 2204 1
+ATOM ? N . LYS . . 273 288 ? -7.290 -9.496 22.727 1.000 28.640 1 2205 1
+ATOM ? CA . LYS . . 273 288 ? -5.906 -9.545 22.284 1.000 29.020 1 2206 1
+ATOM ? C . LYS . . 273 288 ? -5.837 -9.791 20.781 1.000 31.110 1 2207 1
+ATOM ? O . LYS . . 273 288 ? -5.200 -9.032 20.037 1.000 30.960 1 2208 1
+ATOM ? CB . LYS . . 273 288 ? -5.163 -10.666 23.022 1.000 32.230 1 2209 1
+ATOM ? CG . LYS . . 273 288 ? -3.859 -10.230 23.667 1.000 36.030 1 2210 1
+ATOM ? CD . LYS . . 273 288 ? -2.675 -10.506 22.756 1.000 34.800 1 2211 1
+ATOM ? CE . LYS . . 273 288 ? -2.258 -11.964 22.827 1.000 35.160 1 2212 1
+ATOM ? NZ . LYS . . 273 288 ? -1.264 -12.202 23.909 1.000 34.900 1 2213 1
+ATOM ? N . VAL . . 274 289 ? -6.492 -10.860 20.339 1.000 28.760 1 2214 1
+ATOM ? CA . VAL . . 274 289 ? -6.509 -11.234 18.931 1.000 29.370 1 2215 1
+ATOM ? C . VAL . . 274 289 ? -7.081 -10.121 18.061 1.000 29.780 1 2216 1
+ATOM ? O . VAL . . 274 289 ? -6.475 -9.721 17.071 1.000 30.570 1 2217 1
+ATOM ? CB . VAL . . 274 289 ? -7.353 -12.512 18.702 1.000 29.800 1 2218 1
+ATOM ? CG1 . VAL . . 274 289 ? -7.571 -12.736 17.207 1.000 30.100 1 2219 1
+ATOM ? CG2 . VAL . . 274 289 ? -6.659 -13.718 19.324 1.000 30.960 1 2220 1
+ATOM ? N . ILE . . 275 290 ? -8.252 -9.626 18.431 1.000 32.270 1 2221 1
+ATOM ? CA . ILE . . 275 290 ? -8.904 -8.573 17.663 1.000 35.440 1 2222 1
+ATOM ? C . ILE . . 275 290 ? -8.060 -7.298 17.612 1.000 39.740 1 2223 1
+ATOM ? O . ILE . . 275 290 ? -7.844 -6.733 16.540 1.000 39.170 1 2224 1
+ATOM ? CB . ILE . . 275 290 ? -10.302 -8.259 18.250 1.000 34.050 1 2225 1
+ATOM ? CG1 . ILE . . 275 290 ? -11.268 -9.397 17.898 1.000 31.290 1 2226 1
+ATOM ? CG2 . ILE . . 275 290 ? -10.824 -6.931 17.710 1.000 33.250 1 2227 1
+ATOM ? CD1 . ILE . . 275 290 ? -12.503 -9.444 18.765 1.000 29.660 1 2228 1
+ATOM ? N . ASP . . 276 291 ? -7.577 -6.852 18.768 1.000 43.810 1 2229 1
+ATOM ? CA . ASP . . 276 291 ? -6.764 -5.640 18.834 1.000 49.110 1 2230 1
+ATOM ? C . ASP . . 276 291 ? -5.466 -5.776 18.053 1.000 51.720 1 2231 1
+ATOM ? O . ASP . . 276 291 ? -5.100 -4.887 17.288 1.000 52.770 1 2232 1
+ATOM ? CB . ASP . . 276 291 ? -6.438 -5.292 20.289 1.000 50.990 1 2233 1
+ATOM ? CG . ASP . . 276 291 ? -7.641 -4.770 21.046 1.000 54.930 1 2234 1
+ATOM ? OD1 . ASP . . 276 291 ? -8.735 -4.685 20.441 1.000 57.200 1 2235 1
+ATOM ? OD2 . ASP . . 276 291 ? -7.494 -4.447 22.247 1.000 55.070 1 2236 1
+ATOM ? N . GLN . . 277 292 ? -4.771 -6.891 18.243 1.000 55.020 1 2237 1
+ATOM ? CA . GLN . . 277 292 ? -3.500 -7.114 17.560 1.000 58.420 1 2238 1
+ATOM ? C . GLN . . 277 292 ? -3.652 -7.412 16.073 1.000 59.380 1 2239 1
+ATOM ? O . GLN . . 277 292 ? -2.863 -6.935 15.259 1.000 60.630 1 2240 1
+ATOM ? CB . GLN . . 277 292 ? -2.726 -8.251 18.234 1.000 60.840 1 2241 1
+ATOM ? CG . GLN . . 277 292 ? -2.352 -7.972 19.692 1.000 66.000 1 2242 1
+ATOM ? CD . GLN . . 277 292 ? -1.045 -7.199 19.836 1.000 69.370 1 2243 1
+ATOM ? OE1 . GLN . . 277 292 ? -0.542 -6.611 18.871 1.000 69.390 1 2244 1
+ATOM ? NE2 . GLN . . 277 292 ? -0.488 -7.197 21.047 1.000 69.820 1 2245 1
+ATOM ? N . PHE . . 278 293 ? -4.664 -8.193 15.712 1.000 59.870 1 2246 1
+ATOM ? CA . PHE . . 278 293 ? -4.881 -8.539 14.310 1.000 60.050 1 2247 1
+ATOM ? C . PHE . . 278 293 ? -6.047 -7.769 13.689 1.000 59.620 1 2248 1
+ATOM ? O . PHE . . 278 293 ? -6.525 -6.809 14.327 1.000 60.980 1 2249 1
+ATOM ? CB . PHE . . 278 293 ? -5.117 -10.048 14.172 1.000 60.910 1 2250 1
+ATOM ? CG . PHE . . 278 293 ? -4.042 -10.895 14.808 1.000 62.320 1 2251 1
+ATOM ? CD1 . PHE . . 278 293 ? -4.283 -11.572 16.004 1.000 62.510 1 2252 1
+ATOM ? CD2 . PHE . . 278 293 ? -2.793 -11.027 14.207 1.000 62.590 1 2253 1
+ATOM ? CE1 . PHE . . 278 293 ? -3.295 -12.369 16.592 1.000 63.170 1 2254 1
+ATOM ? CE2 . PHE . . 278 293 ? -1.798 -11.820 14.785 1.000 63.610 1 2255 1
+ATOM ? CZ . PHE . . 278 293 ? -2.051 -12.493 15.981 1.000 63.620 1 2256 1
+ATOM ? N . GLY . . 279 300 ? -32.824 -33.545 4.721 1.000 67.770 1 2257 1
+ATOM ? CA . GLY . . 279 300 ? -32.271 -33.829 3.366 1.000 67.250 1 2258 1
+ATOM ? C . GLY . . 279 300 ? -30.969 -33.096 3.108 1.000 65.740 1 2259 1
+ATOM ? O . GLY . . 279 300 ? -30.380 -32.525 4.029 1.000 65.930 1 2260 1
+ATOM ? N . ASP . . 280 301 ? -30.517 -33.112 1.856 1.000 63.380 1 2261 1
+ATOM ? CA . ASP . . 280 301 ? -29.277 -32.443 1.486 1.000 59.800 1 2262 1
+ATOM ? C . ASP . . 280 301 ? -29.490 -30.941 1.327 1.000 56.030 1 2263 1
+ATOM ? O . ASP . . 280 301 ? -30.618 -30.449 1.364 1.000 53.440 1 2264 1
+ATOM ? CB . ASP . . 280 301 ? -28.709 -33.038 0.191 1.000 63.690 1 2265 1
+ATOM ? CG . ASP . . 280 301 ? -29.621 -32.823 -1.012 1.000 66.540 1 2266 1
+ATOM ? OD1 . ASP . . 280 301 ? -30.743 -32.295 -0.840 1.000 69.080 1 2267 1
+ATOM ? OD2 . ASP . . 280 301 ? -29.211 -33.186 -2.136 1.000 67.970 1 2268 1
+ATOM ? N . PHE . . 281 302 ? -28.392 -30.222 1.142 1.000 52.220 1 2269 1
+ATOM ? CA . PHE . . 281 302 ? -28.438 -28.777 1.005 1.000 48.620 1 2270 1
+ATOM ? C . PHE . . 281 302 ? -28.667 -28.297 -0.416 1.000 47.670 1 2271 1
+ATOM ? O . PHE . . 281 302 ? -28.307 -28.965 -1.382 1.000 45.540 1 2272 1
+ATOM ? CB . PHE . . 281 302 ? -27.145 -28.173 1.552 1.000 49.230 1 2273 1
+ATOM ? CG . PHE . . 281 302 ? -27.011 -28.292 3.042 1.000 49.210 1 2274 1
+ATOM ? CD1 . PHE . . 281 302 ? -27.414 -27.251 3.874 1.000 48.030 1 2275 1
+ATOM ? CD2 . PHE . . 281 302 ? -26.513 -29.455 3.618 1.000 48.390 1 2276 1
+ATOM ? CE1 . PHE . . 281 302 ? -27.325 -27.368 5.257 1.000 47.280 1 2277 1
+ATOM ? CE2 . PHE . . 281 302 ? -26.421 -29.580 5.004 1.000 48.170 1 2278 1
+ATOM ? CZ . PHE . . 281 302 ? -26.830 -28.534 5.822 1.000 46.950 1 2279 1
+ATOM ? N . GLU . . 282 303 ? -29.272 -27.123 -0.533 1.000 45.550 1 2280 1
+ATOM ? CA . GLU . . 282 303 ? -29.544 -26.542 -1.831 1.000 44.640 1 2281 1
+ATOM ? C . GLU . . 282 303 ? -28.296 -25.851 -2.368 1.000 45.490 1 2282 1
+ATOM ? O . GLU . . 282 303 ? -27.467 -25.350 -1.608 1.000 44.040 1 2283 1
+ATOM ? CB . GLU . . 282 303 ? -30.700 -25.546 -1.731 1.000 43.230 1 2284 1
+ATOM ? CG . GLU . . 282 303 ? -30.796 -24.602 -2.909 1.000 43.010 1 2285 1
+ATOM ? CD . GLU . . 282 303 ? -31.989 -23.678 -2.826 1.000 45.270 1 2286 1
+ATOM ? OE1 . GLU . . 282 303 ? -32.797 -23.816 -1.884 1.000 43.210 1 2287 1
+ATOM ? OE2 . GLU . . 282 303 ? -32.119 -22.810 -3.714 1.000 46.350 1 2288 1
+ATOM ? N . GLU . . 283 304 ? -28.176 -25.844 -3.690 1.000 46.690 1 2289 1
+ATOM ? CA . GLU . . 283 304 ? -27.051 -25.236 -4.389 1.000 48.210 1 2290 1
+ATOM ? C . GLU . . 283 304 ? -26.882 -23.763 -4.044 1.000 46.700 1 2291 1
+ATOM ? O . GLU . . 283 304 ? -27.850 -23.004 -4.053 1.000 45.940 1 2292 1
+ATOM ? CB . GLU . . 283 304 ? -27.253 -25.369 -5.906 1.000 52.620 1 2293 1
+ATOM ? CG . GLU . . 283 304 ? -28.668 -25.829 -6.310 1.000 59.620 1 2294 1
+ATOM ? CD . GLU . . 283 304 ? -29.252 -25.044 -7.483 1.000 62.830 1 2295 1
+ATOM ? OE1 . GLU . . 283 304 ? -28.484 -24.343 -8.182 1.000 64.630 1 2296 1
+ATOM ? OE2 . GLU . . 283 304 ? -30.484 -25.133 -7.704 1.000 62.160 1 2297 1
+ATOM ? N . ILE . . 284 305 ? -25.654 -23.360 -3.737 1.000 45.060 1 2298 1
+ATOM ? CA . ILE . . 284 305 ? -25.383 -21.961 -3.438 1.000 44.120 1 2299 1
+ATOM ? C . ILE . . 284 305 ? -24.585 -21.407 -4.612 1.000 44.350 1 2300 1
+ATOM ? O . ILE . . 284 305 ? -23.853 -22.144 -5.271 1.000 42.030 1 2301 1
+ATOM ? CB . ILE . . 284 305 ? -24.563 -21.777 -2.128 1.000 43.840 1 2302 1
+ATOM ? CG1 . ILE . . 284 305 ? -23.163 -22.372 -2.283 1.000 42.800 1 2303 1
+ATOM ? CG2 . ILE . . 284 305 ? -25.295 -22.415 -0.962 1.000 43.150 1 2304 1
+ATOM ? CD1 . ILE . . 284 305 ? -22.251 -22.080 -1.119 1.000 42.110 1 2305 1
+ATOM ? N . PRO . . 285 306 ? -24.736 -20.104 -4.906 1.000 46.070 1 2306 1
+ATOM ? CA . PRO . . 285 306 ? -24.011 -19.478 -6.018 1.000 47.360 1 2307 1
+ATOM ? C . PRO . . 285 306 ? -22.545 -19.894 -6.101 1.000 49.340 1 2308 1
+ATOM ? O . PRO . . 285 306 ? -21.868 -20.056 -5.083 1.000 49.460 1 2309 1
+ATOM ? CB . PRO . . 285 306 ? -24.180 -17.986 -5.758 1.000 46.080 1 2310 1
+ATOM ? CG . PRO . . 285 306 ? -25.491 -17.892 -5.052 1.000 46.040 1 2311 1
+ATOM ? CD . PRO . . 285 306 ? -25.622 -19.145 -4.219 1.000 44.580 1 2312 1
+ATOM ? N . GLU . . 286 307 ? -22.070 -20.065 -7.330 1.000 51.140 1 2313 1
+ATOM ? CA . GLU . . 286 307 ? -20.701 -20.480 -7.604 1.000 52.830 1 2314 1
+ATOM ? C . GLU . . 286 307 ? -19.665 -19.455 -7.150 1.000 51.790 1 2315 1
+ATOM ? O . GLU . . 286 307 ? -18.524 -19.806 -6.859 1.000 50.900 1 2316 1
+ATOM ? CB . GLU . . 286 307 ? -20.546 -20.752 -9.105 1.000 56.280 1 2317 1
+ATOM ? CG . GLU . . 286 307 ? -19.190 -21.307 -9.515 1.000 62.900 1 2318 1
+ATOM ? CD . GLU . . 286 307 ? -18.863 -22.630 -8.841 1.000 66.900 1 2319 1
+ATOM ? OE1 . GLU . . 286 307 ? -17.661 -22.914 -8.633 1.000 68.710 1 2320 1
+ATOM ? OE2 . GLU . . 286 307 ? -19.808 -23.386 -8.518 1.000 69.350 1 2321 1
+ATOM ? N . GLU . . 287 308 ? -20.063 -18.190 -7.094 1.000 52.370 1 2322 1
+ATOM ? CA . GLU . . 287 308 ? -19.159 -17.125 -6.672 1.000 53.920 1 2323 1
+ATOM ? C . GLU . . 287 308 ? -18.575 -17.406 -5.290 1.000 54.280 1 2324 1
+ATOM ? O . GLU . . 287 308 ? -17.457 -16.996 -4.987 1.000 54.880 1 2325 1
+ATOM ? CB . GLU . . 287 308 ? -19.895 -15.781 -6.637 1.000 55.150 1 2326 1
+ATOM ? CG . GLU . . 287 308 ? -21.392 -15.878 -6.871 1.000 59.690 1 2327 1
+ATOM ? CD . GLU . . 287 308 ? -21.728 -16.343 -8.279 1.000 62.830 1 2328 1
+ATOM ? OE1 . GLU . . 287 308 ? -20.860 -16.214 -9.172 1.000 64.250 1 2329 1
+ATOM ? OE2 . GLU . . 287 308 ? -22.856 -16.837 -8.495 1.000 63.880 1 2330 1
+ATOM ? N . LEU . . 288 310 ? -17.858 -20.383 -4.095 1.000 59.600 1 2331 1
+ATOM ? CA . LEU . . 288 310 ? -17.085 -21.615 -4.056 1.000 61.750 1 2332 1
+ATOM ? C . LEU . . 288 310 ? -15.707 -21.490 -4.692 1.000 63.850 1 2333 1
+ATOM ? O . LEU . . 288 310 ? -15.009 -22.485 -4.865 1.000 64.150 1 2334 1
+ATOM ? CB . LEU . . 288 310 ? -17.877 -22.736 -4.728 1.000 61.490 1 2335 1
+ATOM ? CG . LEU . . 288 310 ? -18.959 -23.356 -3.843 1.000 61.810 1 2336 1
+ATOM ? CD1 . LEU . . 288 310 ? -20.201 -23.651 -4.664 1.000 62.820 1 2337 1
+ATOM ? CD2 . LEU . . 288 310 ? -18.423 -24.623 -3.204 1.000 62.610 1 2338 1
+ATOM ? N . GLN . . 289 311 ? -15.313 -20.269 -5.034 1.000 66.420 1 2339 1
+ATOM ? CA . GLN . . 289 311 ? -14.011 -20.040 -5.649 1.000 68.870 1 2340 1
+ATOM ? C . GLN . . 289 311 ? -13.181 -19.071 -4.810 1.000 69.940 1 2341 1
+ATOM ? O . GLN . . 289 311 ? -13.747 -18.493 -3.859 1.000 71.940 1 2342 1
+ATOM ? CB . GLN . . 289 311 ? -14.195 -19.506 -7.079 1.000 70.160 1 2343 1
+ATOM ? CG . GLN . . 289 311 ? -13.510 -18.180 -7.380 1.000 72.880 1 2344 1
+ATOM ? CD . GLN . . 289 311 ? -14.450 -16.993 -7.262 1.000 74.650 1 2345 1
+ATOM ? OE1 . GLN . . 289 311 ? -15.020 -16.539 -8.255 1.000 75.970 1 2346 1
+ATOM ? NE2 . GLN . . 289 311 ? -14.617 -16.484 -6.042 1.000 73.780 1 2347 1
+ATOM ? OXT . GLN . . 289 311 ? -11.978 -18.906 -5.104 1.000 71.140 1 2348 1
diff --git a/modules/atom/test/input/ligscore_test.cif b/modules/atom/test/input/ligscore_test.cif
new file mode 100644
index 0000000000..7d2fce7caf
--- /dev/null
+++ b/modules/atom/test/input/ligscore_test.cif
@@ -0,0 +1,1590 @@
+data_model
+#
+_exptl.method 'model, MODELLER Version SVN 2021/07/09 14:50:30'
+#
+_modeller.version SVN
+_modeller.objective_function         32.4556
+_modeller.best_template_pct_seq_id 100.000
+#
+loop_
+_struct_asym.id
+_struct_asym.entity_id
+_struct_asym.details
+A 1 ?
+#
+loop_
+_entity_poly_seq.entity_id
+_entity_poly_seq.num
+_entity_poly_seq.mon_id
+1 1 ARG
+1 2 ARG
+1 3 HIS
+1 4 THR
+1 5 LEU
+1 6 PRO
+1 7 ALA
+1 8 ASN
+1 9 GLU
+1 10 PHE
+1 11 ARG
+1 12 CYS
+1 13 LEU
+1 14 THR
+1 15 PRO
+1 16 GLU
+1 17 ASP
+1 18 ALA
+1 19 ALA
+1 20 GLY
+1 21 VAL
+1 22 PHE
+1 23 GLU
+1 24 ILE
+1 25 GLU
+1 26 ARG
+1 27 GLU
+1 28 ALA
+1 29 PHE
+1 30 ILE
+1 31 SER
+1 32 VAL
+1 33 SER
+1 34 GLY
+1 35 ASN
+1 36 CYS
+1 37 PRO
+1 38 LEU
+1 39 ASN
+1 40 LEU
+1 41 ASP
+1 42 GLU
+1 43 VAL
+1 44 GLN
+1 45 HIS
+1 46 PHE
+1 47 LEU
+1 48 THR
+1 49 LEU
+1 50 CYS
+1 51 PRO
+1 52 GLU
+1 53 LEU
+1 54 SER
+1 55 LEU
+1 56 GLY
+1 57 TRP
+1 58 PHE
+1 59 VAL
+1 60 GLU
+1 61 GLY
+1 62 ARG
+1 63 LEU
+1 64 VAL
+1 65 ALA
+1 66 PHE
+1 67 ILE
+1 68 ILE
+1 69 GLY
+1 70 SER
+1 71 LEU
+1 72 TRP
+1 73 ASP
+1 74 GLU
+1 75 GLU
+1 76 ARG
+1 77 LEU
+1 78 THR
+1 79 GLN
+1 80 GLU
+1 81 SER
+1 82 LEU
+1 83 ALA
+1 84 LEU
+1 85 HIS
+1 86 ARG
+1 87 PRO
+1 88 ARG
+1 89 GLY
+1 90 HIS
+1 91 SER
+1 92 ALA
+1 93 HIS
+1 94 LEU
+1 95 HIS
+1 96 ALA
+1 97 LEU
+1 98 ALA
+1 99 VAL
+1 100 HIS
+1 101 ARG
+1 102 SER
+1 103 PHE
+1 104 ARG
+1 105 GLN
+1 106 GLN
+1 107 GLY
+1 108 LYS
+1 109 GLY
+1 110 SER
+1 111 VAL
+1 112 LEU
+1 113 LEU
+1 114 TRP
+1 115 ARG
+1 116 TYR
+1 117 LEU
+1 118 HIS
+1 119 HIS
+1 120 VAL
+1 121 GLY
+1 122 ALA
+1 123 GLN
+1 124 PRO
+1 125 ALA
+1 126 VAL
+1 127 ARG
+1 128 ARG
+1 129 ALA
+1 130 VAL
+1 131 LEU
+1 132 MET
+1 133 CYS
+1 134 GLU
+1 135 ASP
+1 136 ALA
+1 137 LEU
+1 138 VAL
+1 139 PRO
+1 140 PHE
+1 141 TYR
+1 142 GLN
+1 143 ARG
+1 144 PHE
+1 145 GLY
+1 146 PHE
+1 147 HIS
+1 148 PRO
+1 149 ALA
+1 150 GLY
+1 151 PRO
+1 152 CYS
+1 153 ALA
+1 154 ILE
+1 155 VAL
+1 156 VAL
+1 157 GLY
+1 158 SER
+1 159 LEU
+1 160 THR
+1 161 PHE
+1 162 THR
+1 163 GLU
+1 164 MET
+1 165 HIS
+1 166 CYS
+1 167 SER
+1 168 LEU
+1 169 ARG
+1 170 GLY
+1 171 HIS
+1 172 ALA
+1 173 ALA
+1 174 LEU
+#
+loop_
+_atom_site.group_PDB
+_atom_site.type_symbol
+_atom_site.label_atom_id
+_atom_site.label_alt_id
+_atom_site.label_comp_id
+_atom_site.label_asym_id
+_atom_site.auth_asym_id
+_atom_site.label_seq_id
+_atom_site.auth_seq_id
+_atom_site.pdbx_PDB_ins_code
+_atom_site.Cartn_x
+_atom_site.Cartn_y
+_atom_site.Cartn_z
+_atom_site.occupancy
+_atom_site.B_iso_or_equiv
+_atom_site.label_entity_id
+_atom_site.id
+_atom_site.pdbx_PDB_model_num
+ATOM ? N . ARG A A 1 1 ? 5.183 28.998 23.968 0.000 2.800 1 1 1
+ATOM ? CA . ARG A A 1 1 ? 4.535 29.419 25.229 0.000 2.800 1 2 1
+ATOM ? CB . ARG A A 1 1 ? 3.114 28.805 25.322 0.000 2.800 1 3 1
+ATOM ? CG . ARG A A 1 1 ? 2.216 29.112 24.108 0.000 2.800 1 4 1
+ATOM ? CD . ARG A A 1 1 ? 0.797 28.518 24.164 0.000 2.800 1 5 1
+ATOM ? NE . ARG A A 1 1 ? 0.120 28.845 22.874 0.000 2.800 1 6 1
+ATOM ? CZ . ARG A A 1 1 ? 0.110 27.974 21.818 0.000 2.800 1 7 1
+ATOM ? NH1 . ARG A A 1 1 ? 0.431 26.657 21.986 0.000 2.800 1 8 1
+ATOM ? NH2 . ARG A A 1 1 ? -0.261 28.412 20.579 0.000 2.800 1 9 1
+ATOM ? C . ARG A A 1 1 ? 5.356 28.924 26.376 0.000 2.800 1 10 1
+ATOM ? O . ARG A A 1 1 ? 5.725 27.753 26.435 0.000 2.800 1 11 1
+ATOM ? N . ARG A A 2 2 ? 5.706 29.810 27.316 0.000 5.340 1 12 1
+ATOM ? CA . ARG A A 2 2 ? 6.433 29.306 28.439 0.000 5.340 1 13 1
+ATOM ? CB . ARG A A 2 2 ? 7.878 29.848 28.583 0.000 5.340 1 14 1
+ATOM ? CG . ARG A A 2 2 ? 8.759 29.065 29.577 0.000 5.340 1 15 1
+ATOM ? CD . ARG A A 2 2 ? 10.079 29.756 29.956 0.000 5.340 1 16 1
+ATOM ? NE . ARG A A 2 2 ? 10.700 28.988 31.079 0.000 5.340 1 17 1
+ATOM ? CZ . ARG A A 2 2 ? 10.557 29.360 32.389 0.000 5.340 1 18 1
+ATOM ? NH1 . ARG A A 2 2 ? 9.855 30.475 32.746 0.000 5.340 1 19 1
+ATOM ? NH2 . ARG A A 2 2 ? 11.115 28.603 33.378 0.000 5.340 1 20 1
+ATOM ? C . ARG A A 2 2 ? 5.644 29.731 29.623 0.000 5.340 1 21 1
+ATOM ? O . ARG A A 2 2 ? 4.795 30.613 29.513 0.000 5.340 1 22 1
+ATOM ? N . HIS A A 3 3 ? 5.890 29.061 30.767 0.000 6.280 1 23 1
+ATOM ? CA . HIS A A 3 3 ? 5.310 29.319 32.056 0.000 6.280 1 24 1
+ATOM ? ND1 . HIS A A 3 3 ? 3.562 26.710 33.809 0.000 6.280 1 25 1
+ATOM ? CG . HIS A A 3 3 ? 4.569 26.983 32.912 0.000 6.280 1 26 1
+ATOM ? CB . HIS A A 3 3 ? 5.481 28.162 33.054 0.000 6.280 1 27 1
+ATOM ? NE2 . HIS A A 3 3 ? 3.621 25.006 32.382 0.000 6.280 1 28 1
+ATOM ? CD2 . HIS A A 3 3 ? 4.583 25.936 32.033 0.000 6.280 1 29 1
+ATOM ? CE1 . HIS A A 3 3 ? 3.029 25.521 33.449 0.000 6.280 1 30 1
+ATOM ? C . HIS A A 3 3 ? 6.045 30.470 32.687 0.000 6.280 1 31 1
+ATOM ? O . HIS A A 3 3 ? 7.163 30.808 32.297 0.000 6.280 1 32 1
+ATOM ? N . THR A A 4 4 ? 5.379 31.107 33.675 0.000 4.230 1 33 1
+ATOM ? CA . THR A A 4 4 ? 5.820 32.229 34.473 0.000 4.230 1 34 1
+ATOM ? CB . THR A A 4 4 ? 4.710 32.804 35.291 0.000 4.230 1 35 1
+ATOM ? OG1 . THR A A 4 4 ? 3.648 33.221 34.445 0.000 4.230 1 36 1
+ATOM ? CG2 . THR A A 4 4 ? 5.257 33.991 36.101 0.000 4.230 1 37 1
+ATOM ? C . THR A A 4 4 ? 6.898 31.867 35.461 0.000 4.230 1 38 1
+ATOM ? O . THR A A 4 4 ? 7.746 32.704 35.773 0.000 4.230 1 39 1
+ATOM ? N . LEU A A 5 5 ? 6.847 30.626 36.012 0.000 5.220 1 40 1
+ATOM ? CA . LEU A A 5 5 ? 7.704 30.080 37.042 0.000 5.220 1 41 1
+ATOM ? CB . LEU A A 5 5 ? 7.043 28.900 37.819 0.000 5.220 1 42 1
+ATOM ? CG . LEU A A 5 5 ? 5.754 29.169 38.656 0.000 5.220 1 43 1
+ATOM ? CD1 . LEU A A 5 5 ? 5.960 30.339 39.630 0.000 5.220 1 44 1
+ATOM ? CD2 . LEU A A 5 5 ? 4.466 29.229 37.814 0.000 5.220 1 45 1
+ATOM ? C . LEU A A 5 5 ? 9.027 29.588 36.468 0.000 5.220 1 46 1
+ATOM ? O . LEU A A 5 5 ? 9.200 29.417 35.257 0.000 5.220 1 47 1
+ATOM ? N . PRO A A 6 6 ? 9.989 29.487 37.386 0.000 4.700 1 48 1
+ATOM ? CA . PRO A A 6 6 ? 11.317 28.949 37.138 0.000 4.700 1 49 1
+ATOM ? CD . PRO A A 6 6 ? 10.059 30.559 38.381 0.000 4.700 1 50 1
+ATOM ? CB . PRO A A 6 6 ? 12.156 29.327 38.358 0.000 4.700 1 51 1
+ATOM ? CG . PRO A A 6 6 ? 11.531 30.655 38.814 0.000 4.700 1 52 1
+ATOM ? C . PRO A A 6 6 ? 11.653 27.571 36.590 0.000 4.700 1 53 1
+ATOM ? O . PRO A A 6 6 ? 12.417 27.619 35.623 0.000 4.700 1 54 1
+ATOM ? N . ALA A A 7 7 ? 11.222 26.340 37.060 0.000 4.760 1 55 1
+ATOM ? CA . ALA A A 7 7 ? 11.836 25.570 35.985 0.000 4.760 1 56 1
+ATOM ? CB . ALA A A 7 7 ? 12.405 24.259 36.533 0.000 4.760 1 57 1
+ATOM ? C . ALA A A 7 7 ? 10.844 25.297 34.847 0.000 4.760 1 58 1
+ATOM ? O . ALA A A 7 7 ? 9.712 25.786 34.876 0.000 4.760 1 59 1
+ATOM ? N . ASN A A 8 8 ? 11.272 24.521 33.852 0.000 9.270 1 60 1
+ATOM ? CA . ASN A A 8 8 ? 10.424 24.183 32.704 0.000 9.270 1 61 1
+ATOM ? CB . ASN A A 8 8 ? 10.172 25.446 31.877 0.000 9.270 1 62 1
+ATOM ? CG . ASN A A 8 8 ? 9.088 25.262 30.852 0.000 9.270 1 63 1
+ATOM ? OD1 . ASN A A 8 8 ? 9.316 24.703 29.782 0.000 9.270 1 64 1
+ATOM ? ND2 . ASN A A 8 8 ? 7.891 25.735 31.173 0.000 9.270 1 65 1
+ATOM ? C . ASN A A 8 8 ? 11.090 23.089 31.842 0.000 9.270 1 66 1
+ATOM ? O . ASN A A 8 8 ? 11.797 23.392 30.881 0.000 9.270 1 67 1
+ATOM ? N . GLU A A 9 9 ? 10.836 21.822 32.171 0.000 6.140 1 68 1
+ATOM ? CA . GLU A A 9 9 ? 11.445 20.692 31.466 0.000 6.140 1 69 1
+ATOM ? CB . GLU A A 9 9 ? 12.307 19.887 32.440 0.000 6.140 1 70 1
+ATOM ? CG . GLU A A 9 9 ? 13.482 20.669 33.015 0.000 6.140 1 71 1
+ATOM ? CD . GLU A A 9 9 ? 13.922 20.169 34.385 0.000 6.140 1 72 1
+ATOM ? OE1 . GLU A A 9 9 ? 13.780 18.957 34.672 0.000 6.140 1 73 1
+ATOM ? OE2 . GLU A A 9 9 ? 14.411 21.004 35.180 0.000 6.140 1 74 1
+ATOM ? C . GLU A A 9 9 ? 10.476 19.751 30.766 0.000 6.140 1 75 1
+ATOM ? O . GLU A A 9 9 ? 9.361 19.528 31.228 0.000 6.140 1 76 1
+ATOM ? N . PHE A A 10 10 ? 10.929 19.173 29.662 0.000 11.260 1 77 1
+ATOM ? CA . PHE A A 10 10 ? 10.120 18.241 28.887 0.000 11.260 1 78 1
+ATOM ? CB . PHE A A 10 10 ? 9.822 18.809 27.496 0.000 11.260 1 79 1
+ATOM ? CG . PHE A A 10 10 ? 8.896 19.987 27.501 0.000 11.260 1 80 1
+ATOM ? CD1 . PHE A A 10 10 ? 9.330 21.230 27.937 0.000 11.260 1 81 1
+ATOM ? CD2 . PHE A A 10 10 ? 7.597 19.863 27.035 0.000 11.260 1 82 1
+ATOM ? CE1 . PHE A A 10 10 ? 8.488 22.332 27.905 0.000 11.260 1 83 1
+ATOM ? CE2 . PHE A A 10 10 ? 6.745 20.960 26.999 0.000 11.260 1 84 1
+ATOM ? CZ . PHE A A 10 10 ? 7.191 22.196 27.434 0.000 11.260 1 85 1
+ATOM ? C . PHE A A 10 10 ? 10.874 16.927 28.738 0.000 11.260 1 86 1
+ATOM ? O . PHE A A 10 10 ? 11.763 16.807 27.886 0.000 11.260 1 87 1
+ATOM ? N . ARG A A 11 11 ? 10.495 15.935 29.544 0.000 11.050 1 88 1
+ATOM ? CA . ARG A A 11 11 ? 11.146 14.624 29.515 0.000 11.050 1 89 1
+ATOM ? CB . ARG A A 11 11 ? 12.166 14.517 30.660 0.000 11.050 1 90 1
+ATOM ? CG . ARG A A 11 11 ? 11.573 14.754 32.041 0.000 11.050 1 91 1
+ATOM ? CD . ARG A A 11 11 ? 12.560 14.425 33.139 0.000 11.050 1 92 1
+ATOM ? NE . ARG A A 11 11 ? 11.873 14.151 34.398 0.000 11.050 1 93 1
+ATOM ? CZ . ARG A A 11 11 ? 11.449 15.080 35.249 0.000 11.050 1 94 1
+ATOM ? NH1 . ARG A A 11 11 ? 11.638 16.370 34.996 0.000 11.050 1 95 1
+ATOM ? NH2 . ARG A A 11 11 ? 10.813 14.715 36.355 0.000 11.050 1 96 1
+ATOM ? C . ARG A A 11 11 ? 10.130 13.481 29.607 0.000 11.050 1 97 1
+ATOM ? O . ARG A A 11 11 ? 8.968 13.702 29.912 0.000 11.050 1 98 1
+ATOM ? N . CYS A A 12 12 ? 10.572 12.261 29.326 0.000 3.390 1 99 1
+ATOM ? CA . CYS A A 12 12 ? 9.691 11.101 29.390 0.000 3.390 1 100 1
+ATOM ? CB . CYS A A 12 12 ? 10.411 9.867 28.832 0.000 3.390 1 101 1
+ATOM ? SG . CYS A A 12 12 ? 10.960 10.047 27.122 0.000 3.390 1 102 1
+ATOM ? C . CYS A A 12 12 ? 9.211 10.838 30.823 0.000 3.390 1 103 1
+ATOM ? O . CYS A A 12 12 ? 9.767 11.386 31.781 0.000 3.390 1 104 1
+ATOM ? N . LEU A A 13 13 ? 8.154 10.040 30.957 0.000 13.950 1 105 1
+ATOM ? CA . LEU A A 13 13 ? 7.591 9.698 32.266 0.000 13.950 1 106 1
+ATOM ? CB . LEU A A 13 13 ? 6.058 9.644 32.228 0.000 13.950 1 107 1
+ATOM ? CG . LEU A A 13 13 ? 5.261 10.915 31.936 0.000 13.950 1 108 1
+ATOM ? CD1 . LEU A A 13 13 ? 3.792 10.573 31.920 0.000 13.950 1 109 1
+ATOM ? CD2 . LEU A A 13 13 ? 5.551 11.996 32.963 0.000 13.950 1 110 1
+ATOM ? C . LEU A A 13 13 ? 8.124 8.371 32.800 0.000 13.950 1 111 1
+ATOM ? O . LEU A A 13 13 ? 8.672 7.541 32.063 0.000 13.950 1 112 1
+ATOM ? N . THR A A 14 14 ? 7.920 8.175 34.094 0.000 0.830 1 113 1
+ATOM ? CA . THR A A 14 14 ? 8.364 6.981 34.786 0.000 0.830 1 114 1
+ATOM ? CB . THR A A 14 14 ? 9.488 7.330 35.782 0.000 0.830 1 115 1
+ATOM ? OG1 . THR A A 14 14 ? 8.970 8.189 36.809 0.000 0.830 1 116 1
+ATOM ? CG2 . THR A A 14 14 ? 10.635 8.035 35.076 0.000 0.830 1 117 1
+ATOM ? C . THR A A 14 14 ? 7.192 6.456 35.598 0.000 0.830 1 118 1
+ATOM ? O . THR A A 14 14 ? 6.240 7.197 35.881 0.000 0.830 1 119 1
+ATOM ? N . PRO A A 15 15 ? 7.246 5.176 35.995 0.000 2.770 1 120 1
+ATOM ? CA . PRO A A 15 15 ? 6.164 4.590 36.793 0.000 2.770 1 121 1
+ATOM ? CD . PRO A A 15 15 ? 8.241 4.151 35.613 0.000 2.770 1 122 1
+ATOM ? CB . PRO A A 15 15 ? 6.744 3.234 37.183 0.000 2.770 1 123 1
+ATOM ? CG . PRO A A 15 15 ? 7.536 2.865 35.955 0.000 2.770 1 124 1
+ATOM ? C . PRO A A 15 15 ? 5.889 5.464 38.022 0.000 2.770 1 125 1
+ATOM ? O . PRO A A 15 15 ? 4.740 5.636 38.433 0.000 2.770 1 126 1
+ATOM ? N . GLU A A 16 16 ? 6.960 6.048 38.561 0.000 5.980 1 127 1
+ATOM ? CA . GLU A A 16 16 ? 6.899 6.923 39.724 0.000 5.980 1 128 1
+ATOM ? CB . GLU A A 16 16 ? 8.285 7.486 40.043 0.000 5.980 1 129 1
+ATOM ? CG . GLU A A 16 16 ? 9.305 6.476 40.582 0.000 5.980 1 130 1
+ATOM ? CD . GLU A A 16 16 ? 9.824 5.499 39.531 0.000 5.980 1 131 1
+ATOM ? OE1 . GLU A A 16 16 ? 10.264 5.935 38.444 0.000 5.980 1 132 1
+ATOM ? OE2 . GLU A A 16 16 ? 9.799 4.281 39.805 0.000 5.980 1 133 1
+ATOM ? C . GLU A A 16 16 ? 5.957 8.069 39.419 0.000 5.980 1 134 1
+ATOM ? O . GLU A A 16 16 ? 5.012 8.298 40.161 0.000 5.980 1 135 1
+ATOM ? N . ASP A A 17 17 ? 6.202 8.755 38.305 0.000 3.060 1 136 1
+ATOM ? CA . ASP A A 17 17 ? 5.370 9.880 37.877 0.000 3.060 1 137 1
+ATOM ? CB . ASP A A 17 17 ? 5.777 10.345 36.481 0.000 3.060 1 138 1
+ATOM ? CG . ASP A A 17 17 ? 7.140 11.003 36.452 0.000 3.060 1 139 1
+ATOM ? OD1 . ASP A A 17 17 ? 7.309 12.062 37.087 0.000 3.060 1 140 1
+ATOM ? OD2 . ASP A A 17 17 ? 8.045 10.471 35.779 0.000 3.060 1 141 1
+ATOM ? C . ASP A A 17 17 ? 3.905 9.488 37.837 0.000 3.060 1 142 1
+ATOM ? O . ASP A A 17 17 ? 3.051 10.191 38.372 0.000 3.060 1 143 1
+ATOM ? N . ALA A A 18 18 ? 3.627 8.366 37.176 0.000 2.000 1 144 1
+ATOM ? CA . ALA A A 18 18 ? 2.272 7.854 37.043 0.000 2.000 1 145 1
+ATOM ? CB . ALA A A 18 18 ? 2.290 6.523 36.342 0.000 2.000 1 146 1
+ATOM ? C . ALA A A 18 18 ? 1.669 7.695 38.417 0.000 2.000 1 147 1
+ATOM ? O . ALA A A 18 18 ? 0.578 8.189 38.692 0.000 2.000 1 148 1
+ATOM ? N . ALA A A 19 19 ? 2.419 7.037 39.293 0.000 7.450 1 149 1
+ATOM ? CA . ALA A A 19 19 ? 1.982 6.792 40.656 0.000 7.450 1 150 1
+ATOM ? CB . ALA A A 19 19 ? 3.068 6.055 41.423 0.000 7.450 1 151 1
+ATOM ? C . ALA A A 19 19 ? 1.634 8.110 41.342 0.000 7.450 1 152 1
+ATOM ? O . ALA A A 19 19 ? 0.622 8.206 42.039 0.000 7.450 1 153 1
+ATOM ? N . GLY A A 20 20 ? 2.441 9.133 41.083 0.000 4.660 1 154 1
+ATOM ? CA . GLY A A 20 20 ? 2.215 10.441 41.678 0.000 4.660 1 155 1
+ATOM ? C . GLY A A 20 20 ? 0.923 11.085 41.214 0.000 4.660 1 156 1
+ATOM ? O . GLY A A 20 20 ? 0.321 11.887 41.931 0.000 4.660 1 157 1
+ATOM ? N . VAL A A 21 21 ? 0.502 10.730 40.006 0.000 3.140 1 158 1
+ATOM ? CA . VAL A A 21 21 ? -0.728 11.254 39.424 0.000 3.140 1 159 1
+ATOM ? CB . VAL A A 21 21 ? -0.761 11.014 37.900 0.000 3.140 1 160 1
+ATOM ? CG1 . VAL A A 21 21 ? -2.092 11.459 37.321 0.000 3.140 1 161 1
+ATOM ? CG2 . VAL A A 21 21 ? 0.384 11.746 37.231 0.000 3.140 1 162 1
+ATOM ? C . VAL A A 21 21 ? -1.948 10.584 40.057 0.000 3.140 1 163 1
+ATOM ? O . VAL A A 21 21 ? -2.947 11.247 40.352 0.000 3.140 1 164 1
+ATOM ? N . PHE A A 22 22 ? -1.853 9.274 40.272 0.000 18.620 1 165 1
+ATOM ? CA . PHE A A 22 22 ? -2.947 8.492 40.854 0.000 18.620 1 166 1
+ATOM ? CB . PHE A A 22 22 ? -2.708 6.988 40.643 0.000 18.620 1 167 1
+ATOM ? CG . PHE A A 22 22 ? -2.840 6.538 39.212 0.000 18.620 1 168 1
+ATOM ? CD1 . PHE A A 22 22 ? -4.023 6.735 38.512 0.000 18.620 1 169 1
+ATOM ? CD2 . PHE A A 22 22 ? -1.781 5.909 38.566 0.000 18.620 1 170 1
+ATOM ? CE1 . PHE A A 22 22 ? -4.147 6.313 37.195 0.000 18.620 1 171 1
+ATOM ? CE2 . PHE A A 22 22 ? -1.898 5.483 37.244 0.000 18.620 1 172 1
+ATOM ? CZ . PHE A A 22 22 ? -3.080 5.685 36.559 0.000 18.620 1 173 1
+ATOM ? C . PHE A A 22 22 ? -3.222 8.760 42.335 0.000 18.620 1 174 1
+ATOM ? O . PHE A A 22 22 ? -4.362 8.623 42.781 0.000 18.620 1 175 1
+ATOM ? N . GLU A A 23 23 ? -2.197 9.154 43.088 0.000 4.300 1 176 1
+ATOM ? CA . GLU A A 23 23 ? -2.355 9.408 44.521 0.000 4.300 1 177 1
+ATOM ? CB . GLU A A 23 23 ? -1.044 9.139 45.271 0.000 4.300 1 178 1
+ATOM ? CG . GLU A A 23 23 ? 0.126 10.033 44.881 0.000 4.300 1 179 1
+ATOM ? CD . GLU A A 23 23 ? 1.409 9.675 45.626 0.000 4.300 1 180 1
+ATOM ? OE1 . GLU A A 23 23 ? 1.961 8.580 45.381 0.000 4.300 1 181 1
+ATOM ? OE2 . GLU A A 23 23 ? 1.869 10.487 46.457 0.000 4.300 1 182 1
+ATOM ? C . GLU A A 23 23 ? -2.942 10.758 44.944 0.000 4.300 1 183 1
+ATOM ? O . GLU A A 23 23 ? -2.896 11.111 46.123 0.000 4.300 1 184 1
+ATOM ? N . ILE A A 24 24 ? -3.512 11.507 44.002 0.000 9.610 1 185 1
+ATOM ? CA . ILE A A 24 24 ? -4.119 12.791 44.341 0.000 9.610 1 186 1
+ATOM ? CB . ILE A A 24 24 ? -3.188 13.980 43.954 0.000 9.610 1 187 1
+ATOM ? CG2 . ILE A A 24 24 ? -3.290 14.290 42.465 0.000 9.610 1 188 1
+ATOM ? CG1 . ILE A A 24 24 ? -3.513 15.217 44.808 0.000 9.610 1 189 1
+ATOM ? CD1 . ILE A A 24 24 ? -3.463 14.987 46.328 0.000 9.610 1 190 1
+ATOM ? C . ILE A A 24 24 ? -5.541 12.888 43.743 0.000 9.610 1 191 1
+ATOM ? O . ILE A A 24 24 ? -6.085 11.875 43.302 0.000 9.610 1 192 1
+ATOM ? N . GLU A A 25 25 ? -6.145 14.074 43.753 0.000 32.270 1 193 1
+ATOM ? CA . GLU A A 25 25 ? -7.509 14.273 43.252 0.000 32.270 1 194 1
+ATOM ? CB . GLU A A 25 25 ? -8.000 15.664 43.642 0.000 32.270 1 195 1
+ATOM ? CG . GLU A A 25 25 ? -7.935 15.914 45.142 0.000 32.270 1 196 1
+ATOM ? CD . GLU A A 25 25 ? -8.605 17.206 45.569 0.000 32.270 1 197 1
+ATOM ? OE1 . GLU A A 25 25 ? -8.954 18.029 44.694 0.000 32.270 1 198 1
+ATOM ? OE2 . GLU A A 25 25 ? -8.786 17.393 46.790 0.000 32.270 1 199 1
+ATOM ? C . GLU A A 25 25 ? -7.782 13.978 41.769 0.000 32.270 1 200 1
+ATOM ? O . GLU A A 25 25 ? -7.625 12.836 41.347 0.000 32.270 1 201 1
+ATOM ? N . ARG A A 26 26 ? -8.205 14.980 40.986 0.000 27.440 1 202 1
+ATOM ? CA . ARG A A 26 26 ? -8.523 14.780 39.558 0.000 27.440 1 203 1
+ATOM ? CB . ARG A A 26 26 ? -10.015 14.511 39.390 0.000 27.440 1 204 1
+ATOM ? CG . ARG A A 26 26 ? -10.503 14.280 37.940 0.000 27.440 1 205 1
+ATOM ? CD . ARG A A 26 26 ? -12.013 14.014 37.822 0.000 27.440 1 206 1
+ATOM ? NE . ARG A A 26 26 ? -12.313 13.813 36.362 0.000 27.440 1 207 1
+ATOM ? CZ . ARG A A 26 26 ? -13.544 13.559 35.898 0.000 27.440 1 208 1
+ATOM ? NH1 . ARG A A 26 26 ? -14.594 13.438 36.705 0.000 27.440 1 209 1
+ATOM ? NH2 . ARG A A 26 26 ? -13.698 13.398 34.585 0.000 27.440 1 210 1
+ATOM ? C . ARG A A 26 26 ? -8.103 15.944 38.650 0.000 27.440 1 211 1
+ATOM ? O . ARG A A 26 26 ? -8.313 17.110 39.004 0.000 27.440 1 212 1
+ATOM ? N . GLU A A 27 27 ? -7.553 15.617 37.471 0.000 12.030 1 213 1
+ATOM ? CA . GLU A A 27 27 ? -7.084 16.605 36.478 0.000 12.030 1 214 1
+ATOM ? CB . GLU A A 27 27 ? -5.564 16.576 36.387 0.000 12.030 1 215 1
+ATOM ? CG . GLU A A 27 27 ? -4.879 17.600 37.291 0.000 12.030 1 216 1
+ATOM ? CD . GLU A A 27 27 ? -5.229 17.463 38.759 0.000 12.030 1 217 1
+ATOM ? OE1 . GLU A A 27 27 ? -4.901 16.421 39.368 0.000 12.030 1 218 1
+ATOM ? OE2 . GLU A A 27 27 ? -5.832 18.412 39.305 0.000 12.030 1 219 1
+ATOM ? C . GLU A A 27 27 ? -7.697 16.510 35.068 0.000 12.030 1 220 1
+ATOM ? O . GLU A A 27 27 ? -7.873 15.423 34.535 0.000 12.030 1 221 1
+ATOM ? N . ALA A A 28 28 ? -7.934 17.674 34.458 1.000 4.730 1 222 1
+ATOM ? CA . ALA A A 28 28 ? -8.578 17.843 33.146 1.000 4.730 1 223 1
+ATOM ? CB . ALA A A 28 28 ? -8.689 19.344 32.824 1.000 4.730 1 224 1
+ATOM ? C . ALA A A 28 28 ? -8.142 17.078 31.890 1.000 4.730 1 225 1
+ATOM ? O . ALA A A 28 28 ? -6.967 16.769 31.684 1.000 4.730 1 226 1
+ATOM ? N . PHE A A 29 29 ? -9.131 16.810 31.042 1.000 44.490 1 227 1
+ATOM ? CA . PHE A A 29 29 ? -8.942 16.127 29.770 1.000 44.490 1 228 1
+ATOM ? CB . PHE A A 29 29 ? -10.207 15.408 29.352 1.000 44.490 1 229 1
+ATOM ? CG . PHE A A 29 29 ? -10.060 14.682 28.035 1.000 44.490 1 230 1
+ATOM ? CD1 . PHE A A 29 29 ? -9.620 13.348 28.006 1.000 44.490 1 231 1
+ATOM ? CD2 . PHE A A 29 29 ? -10.317 15.340 26.819 1.000 44.490 1 232 1
+ATOM ? CE1 . PHE A A 29 29 ? -9.428 12.687 26.786 1.000 44.490 1 233 1
+ATOM ? CE2 . PHE A A 29 29 ? -10.124 14.682 25.597 1.000 44.490 1 234 1
+ATOM ? CZ . PHE A A 29 29 ? -9.678 13.355 25.581 1.000 44.490 1 235 1
+ATOM ? C . PHE A A 29 29 ? -8.653 17.223 28.774 1.000 44.490 1 236 1
+ATOM ? O . PHE A A 29 29 ? -8.955 18.397 29.024 1.000 44.490 1 237 1
+ATOM ? N . ILE A A 30 30 ? -8.142 16.837 27.616 0.000 10.200 1 238 1
+ATOM ? CA . ILE A A 30 30 ? -7.828 17.813 26.594 0.000 10.200 1 239 1
+ATOM ? CB . ILE A A 30 30 ? -6.938 17.232 25.479 0.000 10.200 1 240 1
+ATOM ? CG2 . ILE A A 30 30 ? -7.604 16.022 24.824 0.000 10.200 1 241 1
+ATOM ? CG1 . ILE A A 30 30 ? -6.629 18.330 24.463 0.000 10.200 1 242 1
+ATOM ? CD1 . ILE A A 30 30 ? -6.061 19.589 25.094 0.000 10.200 1 243 1
+ATOM ? C . ILE A A 30 30 ? -9.052 18.476 25.981 0.000 10.200 1 244 1
+ATOM ? O . ILE A A 30 30 ? -9.836 17.847 25.267 0.000 10.200 1 245 1
+ATOM ? N . SER A A 31 31 ? -9.217 19.748 26.325 0.000 6.320 1 246 1
+ATOM ? CA . SER A A 31 31 ? -10.296 20.587 25.824 0.000 6.320 1 247 1
+ATOM ? CB . SER A A 31 31 ? -9.783 21.406 24.633 0.000 6.320 1 248 1
+ATOM ? OG . SER A A 31 31 ? -9.110 20.598 23.672 0.000 6.320 1 249 1
+ATOM ? C . SER A A 31 31 ? -11.621 19.909 25.463 0.000 6.320 1 250 1
+ATOM ? O . SER A A 31 31 ? -12.245 20.253 24.450 0.000 6.320 1 251 1
+ATOM ? N . VAL A A 32 32 ? -12.066 18.971 26.288 0.000 7.970 1 252 1
+ATOM ? CA . VAL A A 32 32 ? -13.319 18.300 26.007 0.000 7.970 1 253 1
+ATOM ? CB . VAL A A 32 32 ? -13.127 17.101 25.048 0.000 7.970 1 254 1
+ATOM ? CG1 . VAL A A 32 32 ? -12.437 15.938 25.761 0.000 7.970 1 255 1
+ATOM ? CG2 . VAL A A 32 32 ? -14.466 16.685 24.457 0.000 7.970 1 256 1
+ATOM ? C . VAL A A 32 32 ? -14.003 17.825 27.267 0.000 7.970 1 257 1
+ATOM ? O . VAL A A 32 32 ? -13.354 17.328 28.194 0.000 7.970 1 258 1
+ATOM ? N . SER A A 33 33 ? -15.313 18.053 27.316 1.000 9.600 1 259 1
+ATOM ? CA . SER A A 33 33 ? -16.138 17.615 28.432 1.000 9.600 1 260 1
+ATOM ? CB . SER A A 33 33 ? -17.198 18.667 28.802 1.000 9.600 1 261 1
+ATOM ? OG . SER A A 33 33 ? -17.981 19.054 27.684 1.000 9.600 1 262 1
+ATOM ? C . SER A A 33 33 ? -16.784 16.299 27.993 1.000 9.600 1 263 1
+ATOM ? O . SER A A 33 33 ? -16.699 15.911 26.816 1.000 9.600 1 264 1
+ATOM ? N . GLY A A 34 34 ? -17.427 15.613 28.932 0.000 13.550 1 265 1
+ATOM ? CA . GLY A A 34 34 ? -18.032 14.338 28.608 0.000 13.550 1 266 1
+ATOM ? C . GLY A A 34 34 ? -16.903 13.329 28.633 0.000 13.550 1 267 1
+ATOM ? O . GLY A A 34 34 ? -16.790 12.546 29.573 0.000 13.550 1 268 1
+ATOM ? N . ASN A A 35 35 ? -16.028 13.393 27.635 1.000 14.820 1 269 1
+ATOM ? CA . ASN A A 35 35 ? -14.891 12.483 27.560 1.000 14.820 1 270 1
+ATOM ? CB . ASN A A 35 35 ? -14.345 12.406 26.139 1.000 14.820 1 271 1
+ATOM ? CG . ASN A A 35 35 ? -15.257 11.639 25.222 1.000 14.820 1 272 1
+ATOM ? OD1 . ASN A A 35 35 ? -15.116 10.428 25.066 1.000 14.820 1 273 1
+ATOM ? ND2 . ASN A A 35 35 ? -16.209 12.335 24.608 1.000 14.820 1 274 1
+ATOM ? C . ASN A A 35 35 ? -13.804 12.926 28.513 1.000 14.820 1 275 1
+ATOM ? O . ASN A A 35 35 ? -12.743 13.399 28.110 1.000 14.820 1 276 1
+ATOM ? N . CYS A A 36 36 ? -14.109 12.801 29.795 1.000 8.700 1 277 1
+ATOM ? CA . CYS A A 36 36 ? -13.191 13.175 30.840 1.000 8.700 1 278 1
+ATOM ? CB . CYS A A 36 36 ? -13.927 13.191 32.180 1.000 8.700 1 279 1
+ATOM ? SG . CYS A A 36 36 ? -15.138 14.540 32.314 1.000 8.700 1 280 1
+ATOM ? C . CYS A A 36 36 ? -12.032 12.189 30.844 1.000 8.700 1 281 1
+ATOM ? O . CYS A A 36 36 ? -12.149 11.074 30.320 1.000 8.700 1 282 1
+ATOM ? N . PRO A A 37 37 ? -10.899 12.588 31.442 1.000 13.650 1 283 1
+ATOM ? CA . PRO A A 37 37 ? -9.669 11.797 31.550 1.000 13.650 1 284 1
+ATOM ? CD . PRO A A 37 37 ? -10.780 13.830 32.226 1.000 13.650 1 285 1
+ATOM ? CB . PRO A A 37 37 ? -8.784 12.671 32.442 1.000 13.650 1 286 1
+ATOM ? CG . PRO A A 37 37 ? -9.780 13.438 33.270 1.000 13.650 1 287 1
+ATOM ? C . PRO A A 37 37 ? -9.833 10.398 32.139 1.000 13.650 1 288 1
+ATOM ? O . PRO A A 37 37 ? -10.289 10.227 33.277 1.000 13.650 1 289 1
+ATOM ? N . LEU A A 38 38 ? -9.443 9.397 31.362 0.000 42.160 1 290 1
+ATOM ? CA . LEU A A 38 38 ? -9.522 8.024 31.820 0.000 42.160 1 291 1
+ATOM ? CB . LEU A A 38 38 ? -10.442 7.205 30.920 0.000 42.160 1 292 1
+ATOM ? CG . LEU A A 38 38 ? -10.761 5.802 31.425 0.000 42.160 1 293 1
+ATOM ? CD1 . LEU A A 38 38 ? -11.542 5.906 32.715 0.000 42.160 1 294 1
+ATOM ? CD2 . LEU A A 38 38 ? -11.560 5.059 30.367 0.000 42.160 1 295 1
+ATOM ? C . LEU A A 38 38 ? -8.115 7.449 31.806 0.000 42.160 1 296 1
+ATOM ? O . LEU A A 38 38 ? -7.596 7.086 30.752 0.000 42.160 1 297 1
+ATOM ? N . ASN A A 39 39 ? -7.477 7.446 32.973 0.000 5.630 1 298 1
+ATOM ? CA . ASN A A 39 39 ? -6.121 6.923 33.117 0.000 5.630 1 299 1
+ATOM ? CB . ASN A A 39 39 ? -5.285 7.833 34.017 0.000 5.630 1 300 1
+ATOM ? CG . ASN A A 39 39 ? -5.125 9.228 33.463 0.000 5.630 1 301 1
+ATOM ? OD1 . ASN A A 39 39 ? -5.940 9.700 32.674 0.000 5.630 1 302 1
+ATOM ? ND2 . ASN A A 39 39 ? -4.076 9.911 33.888 0.000 5.630 1 303 1
+ATOM ? C . ASN A A 39 39 ? -6.183 5.567 33.772 0.000 5.630 1 304 1
+ATOM ? O . ASN A A 39 39 ? -5.156 4.915 33.945 0.000 5.630 1 305 1
+ATOM ? N . LEU A A 40 40 ? -7.394 5.162 34.135 0.000 25.210 1 306 1
+ATOM ? CA . LEU A A 40 40 ? -7.636 3.909 34.834 0.000 25.210 1 307 1
+ATOM ? CB . LEU A A 40 40 ? -9.137 3.610 34.914 0.000 25.210 1 308 1
+ATOM ? CG . LEU A A 40 40 ? -9.956 4.526 35.830 0.000 25.210 1 309 1
+ATOM ? CD1 . LEU A A 40 40 ? -11.402 4.059 35.838 0.000 25.210 1 310 1
+ATOM ? CD2 . LEU A A 40 40 ? -9.369 4.538 37.241 0.000 25.210 1 311 1
+ATOM ? C . LEU A A 40 40 ? -6.875 2.696 34.338 0.000 25.210 1 312 1
+ATOM ? O . LEU A A 40 40 ? -7.440 1.818 33.693 0.000 25.210 1 313 1
+ATOM ? N . ASP A A 41 41 ? -5.589 2.664 34.678 0.000 9.370 1 314 1
+ATOM ? CA . ASP A A 41 41 ? -4.659 1.590 34.334 0.000 9.370 1 315 1
+ATOM ? CB . ASP A A 41 41 ? -4.973 0.320 35.123 0.000 9.370 1 316 1
+ATOM ? CG . ASP A A 41 41 ? -3.803 -0.661 35.154 0.000 9.370 1 317 1
+ATOM ? OD1 . ASP A A 41 41 ? -2.667 -0.241 35.476 0.000 9.370 1 318 1
+ATOM ? OD2 . ASP A A 41 41 ? -4.030 -1.859 34.876 0.000 9.370 1 319 1
+ATOM ? C . ASP A A 41 41 ? -4.549 1.243 32.863 0.000 9.370 1 320 1
+ATOM ? O . ASP A A 41 41 ? -3.530 0.680 32.445 0.000 9.370 1 321 1
+ATOM ? N . GLU A A 42 42 ? -5.554 1.612 32.071 0.000 16.560 1 322 1
+ATOM ? CA . GLU A A 42 42 ? -5.534 1.311 30.661 0.000 16.560 1 323 1
+ATOM ? CB . GLU A A 42 42 ? -6.773 1.883 29.962 0.000 16.560 1 324 1
+ATOM ? CG . GLU A A 42 42 ? -8.118 1.658 30.685 0.000 16.560 1 325 1
+ATOM ? CD . GLU A A 42 42 ? -8.541 0.196 30.798 0.000 16.560 1 326 1
+ATOM ? OE1 . GLU A A 42 42 ? -8.568 -0.521 29.770 0.000 16.560 1 327 1
+ATOM ? OE2 . GLU A A 42 42 ? -8.872 -0.230 31.922 0.000 16.560 1 328 1
+ATOM ? C . GLU A A 42 42 ? -4.261 1.925 30.096 0.000 16.560 1 329 1
+ATOM ? O . GLU A A 42 42 ? -3.787 1.503 29.046 0.000 16.560 1 330 1
+ATOM ? N . VAL A A 43 43 ? -3.687 2.884 30.829 0.000 15.350 1 331 1
+ATOM ? CA . VAL A A 43 43 ? -2.460 3.556 30.415 0.000 15.350 1 332 1
+ATOM ? CB . VAL A A 43 43 ? -2.677 5.067 30.220 0.000 15.350 1 333 1
+ATOM ? CG1 . VAL A A 43 43 ? -3.739 5.311 29.168 0.000 15.350 1 334 1
+ATOM ? CG2 . VAL A A 43 43 ? -3.035 5.722 31.540 0.000 15.350 1 335 1
+ATOM ? C . VAL A A 43 43 ? -1.264 3.371 31.345 0.000 15.350 1 336 1
+ATOM ? O . VAL A A 43 43 ? -0.121 3.357 30.885 0.000 15.350 1 337 1
+ATOM ? N . GLN A A 44 44 ? -1.505 3.204 32.638 0.000 3.420 1 338 1
+ATOM ? CA . GLN A A 44 44 ? -0.400 3.052 33.580 0.000 3.420 1 339 1
+ATOM ? CB . GLN A A 44 44 ? -0.913 2.793 34.990 0.000 3.420 1 340 1
+ATOM ? CG . GLN A A 44 44 ? 0.199 2.599 35.988 0.000 3.420 1 341 1
+ATOM ? CD . GLN A A 44 44 ? -0.307 2.372 37.390 0.000 3.420 1 342 1
+ATOM ? OE1 . GLN A A 44 44 ? -0.007 3.150 38.294 0.000 3.420 1 343 1
+ATOM ? NE2 . GLN A A 44 44 ? -1.074 1.299 37.588 0.000 3.420 1 344 1
+ATOM ? C . GLN A A 44 44 ? 0.671 2.013 33.196 0.000 3.420 1 345 1
+ATOM ? O . GLN A A 44 44 ? 1.874 2.260 33.365 0.000 3.420 1 346 1
+ATOM ? N . HIS A A 45 45 ? 0.260 0.871 32.654 0.000 5.640 1 347 1
+ATOM ? CA . HIS A A 45 45 ? 1.234 -0.153 32.259 0.000 5.640 1 348 1
+ATOM ? ND1 . HIS A A 45 45 ? -0.278 -1.985 29.497 0.000 5.640 1 349 1
+ATOM ? CG . HIS A A 45 45 ? -0.416 -1.268 30.666 0.000 5.640 1 350 1
+ATOM ? CB . HIS A A 45 45 ? 0.507 -1.441 31.839 0.000 5.640 1 351 1
+ATOM ? NE2 . HIS A A 45 45 ? -1.973 -0.705 29.225 0.000 5.640 1 352 1
+ATOM ? CD2 . HIS A A 45 45 ? -1.488 -0.461 30.490 0.000 5.640 1 353 1
+ATOM ? CE1 . HIS A A 45 45 ? -1.227 -1.627 28.647 0.000 5.640 1 354 1
+ATOM ? C . HIS A A 45 45 ? 2.195 0.320 31.137 0.000 5.640 1 355 1
+ATOM ? O . HIS A A 45 45 ? 3.292 -0.231 30.961 0.000 5.640 1 356 1
+ATOM ? N . PHE A A 46 46 ? 1.785 1.343 30.388 0.000 12.800 1 357 1
+ATOM ? CA . PHE A A 46 46 ? 2.602 1.879 29.296 0.000 12.800 1 358 1
+ATOM ? CB . PHE A A 46 46 ? 1.813 2.912 28.486 0.000 12.800 1 359 1
+ATOM ? CG . PHE A A 46 46 ? 0.712 2.315 27.649 0.000 12.800 1 360 1
+ATOM ? CD1 . PHE A A 46 46 ? 0.957 1.195 26.845 0.000 12.800 1 361 1
+ATOM ? CD2 . PHE A A 46 46 ? -0.567 2.878 27.645 0.000 12.800 1 362 1
+ATOM ? CE1 . PHE A A 46 46 ? -0.048 0.650 26.049 0.000 12.800 1 363 1
+ATOM ? CE2 . PHE A A 46 46 ? -1.585 2.336 26.853 0.000 12.800 1 364 1
+ATOM ? CZ . PHE A A 46 46 ? -1.319 1.220 26.052 0.000 12.800 1 365 1
+ATOM ? C . PHE A A 46 46 ? 3.915 2.480 29.806 0.000 12.800 1 366 1
+ATOM ? O . PHE A A 46 46 ? 4.950 2.420 29.134 0.000 12.800 1 367 1
+ATOM ? N . LEU A A 47 47 ? 3.878 3.005 31.023 0.000 19.530 1 368 1
+ATOM ? CA . LEU A A 47 47 ? 5.058 3.592 31.641 0.000 19.530 1 369 1
+ATOM ? CB . LEU A A 47 47 ? 4.626 4.509 32.782 0.000 19.530 1 370 1
+ATOM ? CG . LEU A A 47 47 ? 3.769 5.624 32.188 0.000 19.530 1 371 1
+ATOM ? CD1 . LEU A A 47 47 ? 3.249 6.532 33.268 0.000 19.530 1 372 1
+ATOM ? CD2 . LEU A A 47 47 ? 4.622 6.389 31.187 0.000 19.530 1 373 1
+ATOM ? C . LEU A A 47 47 ? 6.049 2.522 32.114 0.000 19.530 1 374 1
+ATOM ? O . LEU A A 47 47 ? 7.096 2.830 32.684 0.000 19.530 1 375 1
+ATOM ? N . THR A A 48 48 ? 5.702 1.271 31.847 0.000 1.270 1 376 1
+ATOM ? CA . THR A A 48 48 ? 6.502 0.102 32.180 0.000 1.270 1 377 1
+ATOM ? CB . THR A A 48 48 ? 5.653 -0.915 32.982 0.000 1.270 1 378 1
+ATOM ? OG1 . THR A A 48 48 ? 5.439 -0.418 34.309 0.000 1.270 1 379 1
+ATOM ? CG2 . THR A A 48 48 ? 6.315 -2.287 33.037 0.000 1.270 1 380 1
+ATOM ? C . THR A A 48 48 ? 6.945 -0.540 30.864 0.000 1.270 1 381 1
+ATOM ? O . THR A A 48 48 ? 8.122 -0.833 30.672 0.000 1.270 1 382 1
+ATOM ? N . LEU A A 49 49 ? 6.002 -0.738 29.946 0.000 0.530 1 383 1
+ATOM ? CA . LEU A A 49 49 ? 6.316 -1.361 28.665 0.000 0.530 1 384 1
+ATOM ? CB . LEU A A 49 49 ? 5.039 -1.887 27.994 0.000 0.530 1 385 1
+ATOM ? CG . LEU A A 49 49 ? 4.099 -2.808 28.783 0.000 0.530 1 386 1
+ATOM ? CD1 . LEU A A 49 49 ? 2.943 -3.241 27.881 0.000 0.530 1 387 1
+ATOM ? CD2 . LEU A A 49 49 ? 4.837 -4.035 29.330 0.000 0.530 1 388 1
+ATOM ? C . LEU A A 49 49 ? 7.035 -0.438 27.697 0.000 0.530 1 389 1
+ATOM ? O . LEU A A 49 49 ? 7.807 -0.902 26.862 0.000 0.530 1 390 1
+ATOM ? N . CYS A A 50 50 ? 6.791 0.866 27.808 0.000 2.200 1 391 1
+ATOM ? CA . CYS A A 50 50 ? 7.395 1.830 26.887 0.000 2.200 1 392 1
+ATOM ? CB . CYS A A 50 50 ? 6.699 1.737 25.526 0.000 2.200 1 393 1
+ATOM ? SG . CYS A A 50 50 ? 4.894 2.073 25.613 0.000 2.200 1 394 1
+ATOM ? C . CYS A A 50 50 ? 7.348 3.284 27.341 0.000 2.200 1 395 1
+ATOM ? O . CYS A A 50 50 ? 6.616 4.099 26.763 0.000 2.200 1 396 1
+ATOM ? N . PRO A A 51 51 ? 8.151 3.644 28.353 0.000 5.040 1 397 1
+ATOM ? CA . PRO A A 51 51 ? 8.161 5.027 28.833 0.000 5.040 1 398 1
+ATOM ? CD . PRO A A 51 51 ? 9.026 2.797 29.184 0.000 5.040 1 399 1
+ATOM ? CB . PRO A A 51 51 ? 9.139 4.967 30.008 0.000 5.040 1 400 1
+ATOM ? CG . PRO A A 51 51 ? 9.061 3.560 30.474 0.000 5.040 1 401 1
+ATOM ? C . PRO A A 51 51 ? 8.651 6.012 27.755 0.000 5.040 1 402 1
+ATOM ? O . PRO A A 51 51 ? 8.348 7.198 27.819 0.000 5.040 1 403 1
+ATOM ? N . GLU A A 52 52 ? 9.381 5.517 26.752 0.000 2.820 1 404 1
+ATOM ? CA . GLU A A 52 52 ? 9.896 6.368 25.666 0.000 2.820 1 405 1
+ATOM ? CB . GLU A A 52 52 ? 10.694 5.574 24.630 0.000 2.820 1 406 1
+ATOM ? CG . GLU A A 52 52 ? 11.465 4.413 25.147 0.000 2.820 1 407 1
+ATOM ? CD . GLU A A 52 52 ? 10.634 3.161 25.160 0.000 2.820 1 408 1
+ATOM ? OE1 . GLU A A 52 52 ? 10.274 2.666 24.069 0.000 2.820 1 409 1
+ATOM ? OE2 . GLU A A 52 52 ? 10.339 2.668 26.264 0.000 2.820 1 410 1
+ATOM ? C . GLU A A 52 52 ? 8.769 7.039 24.904 0.000 2.820 1 411 1
+ATOM ? O . GLU A A 52 52 ? 9.010 7.989 24.161 0.000 2.820 1 412 1
+ATOM ? N . LEU A A 53 53 ? 7.568 6.473 24.992 0.000 1.790 1 413 1
+ATOM ? CA . LEU A A 53 53 ? 6.427 7.044 24.289 0.000 1.790 1 414 1
+ATOM ? CB . LEU A A 53 53 ? 5.646 5.976 23.534 0.000 1.790 1 415 1
+ATOM ? CG . LEU A A 53 53 ? 6.378 5.683 22.227 0.000 1.790 1 416 1
+ATOM ? CD1 . LEU A A 53 53 ? 7.321 4.506 22.399 0.000 1.790 1 417 1
+ATOM ? CD2 . LEU A A 53 53 ? 5.373 5.420 21.127 0.000 1.790 1 418 1
+ATOM ? C . LEU A A 53 53 ? 5.520 7.923 25.127 0.000 1.790 1 419 1
+ATOM ? O . LEU A A 53 53 ? 4.363 8.149 24.787 0.000 1.790 1 420 1
+ATOM ? N . SER A A 54 54 ? 6.086 8.461 26.200 0.000 4.510 1 421 1
+ATOM ? CA . SER A A 54 54 ? 5.378 9.369 27.084 0.000 4.510 1 422 1
+ATOM ? CB . SER A A 54 54 ? 5.276 8.783 28.493 0.000 4.510 1 423 1
+ATOM ? OG . SER A A 54 54 ? 6.554 8.713 29.106 0.000 4.510 1 424 1
+ATOM ? C . SER A A 54 54 ? 6.239 10.629 27.121 0.000 4.510 1 425 1
+ATOM ? O . SER A A 54 54 ? 7.445 10.569 26.880 0.000 4.510 1 426 1
+ATOM ? N . LEU A A 55 55 ? 5.633 11.759 27.449 0.000 4.500 1 427 1
+ATOM ? CA . LEU A A 55 55 ? 6.368 13.007 27.522 0.000 4.500 1 428 1
+ATOM ? CB . LEU A A 55 55 ? 6.477 13.617 26.115 0.000 4.500 1 429 1
+ATOM ? CG . LEU A A 55 55 ? 7.525 14.673 25.745 0.000 4.500 1 430 1
+ATOM ? CD1 . LEU A A 55 55 ? 7.166 15.984 26.391 0.000 4.500 1 431 1
+ATOM ? CD2 . LEU A A 55 55 ? 8.929 14.240 26.149 0.000 4.500 1 432 1
+ATOM ? C . LEU A A 55 55 ? 5.616 13.925 28.487 0.000 4.500 1 433 1
+ATOM ? O . LEU A A 55 55 ? 4.429 14.208 28.295 0.000 4.500 1 434 1
+ATOM ? N . GLY A A 56 56 ? 6.290 14.313 29.566 0.000 6.170 1 435 1
+ATOM ? CA . GLY A A 56 56 ? 5.702 15.195 30.557 0.000 6.170 1 436 1
+ATOM ? C . GLY A A 56 56 ? 6.301 16.596 30.552 0.000 6.170 1 437 1
+ATOM ? O . GLY A A 56 56 ? 7.456 16.806 30.162 0.000 6.170 1 438 1
+ATOM ? N . TRP A A 57 57 ? 5.502 17.552 31.012 0.000 7.150 1 439 1
+ATOM ? CA . TRP A A 57 57 ? 5.878 18.956 31.104 0.000 7.150 1 440 1
+ATOM ? CB . TRP A A 57 57 ? 4.758 19.798 30.506 0.000 7.150 1 441 1
+ATOM ? CG . TRP A A 57 57 ? 5.027 21.252 30.447 0.000 7.150 1 442 1
+ATOM ? CD2 . TRP A A 57 57 ? 4.468 22.175 29.517 0.000 7.150 1 443 1
+ATOM ? CD1 . TRP A A 57 57 ? 5.817 21.982 31.285 0.000 7.150 1 444 1
+ATOM ? NE1 . TRP A A 57 57 ? 5.776 23.305 30.938 0.000 7.150 1 445 1
+ATOM ? CE2 . TRP A A 57 57 ? 4.957 23.453 29.852 0.000 7.150 1 446 1
+ATOM ? CE3 . TRP A A 57 57 ? 3.603 22.044 28.425 0.000 7.150 1 447 1
+ATOM ? CZ2 . TRP A A 57 57 ? 4.605 24.606 29.132 0.000 7.150 1 448 1
+ATOM ? CZ3 . TRP A A 57 57 ? 3.253 23.185 27.706 0.000 7.150 1 449 1
+ATOM ? CH2 . TRP A A 57 57 ? 3.754 24.452 28.066 0.000 7.150 1 450 1
+ATOM ? C . TRP A A 57 57 ? 6.018 19.268 32.589 0.000 7.150 1 451 1
+ATOM ? O . TRP A A 57 57 ? 5.036 19.219 33.325 0.000 7.150 1 452 1
+ATOM ? N . PHE A A 58 58 ? 7.225 19.626 33.019 0.000 11.590 1 453 1
+ATOM ? CA . PHE A A 58 58 ? 7.473 19.929 34.427 0.000 11.590 1 454 1
+ATOM ? CB . PHE A A 58 58 ? 8.561 19.009 34.987 0.000 11.590 1 455 1
+ATOM ? CG . PHE A A 58 58 ? 8.307 17.549 34.746 0.000 11.590 1 456 1
+ATOM ? CD1 . PHE A A 58 58 ? 8.609 16.973 33.512 0.000 11.590 1 457 1
+ATOM ? CD2 . PHE A A 58 58 ? 7.771 16.749 35.750 0.000 11.590 1 458 1
+ATOM ? CE1 . PHE A A 58 58 ? 8.382 15.623 33.282 0.000 11.590 1 459 1
+ATOM ? CE2 . PHE A A 58 58 ? 7.538 15.397 35.533 0.000 11.590 1 460 1
+ATOM ? CZ . PHE A A 58 58 ? 7.844 14.831 34.294 0.000 11.590 1 461 1
+ATOM ? C . PHE A A 58 58 ? 7.888 21.370 34.684 0.000 11.590 1 462 1
+ATOM ? O . PHE A A 58 58 ? 8.796 21.887 34.045 0.000 11.590 1 463 1
+ATOM ? N . VAL A A 59 59 ? 7.223 22.006 35.637 0.000 5.490 1 464 1
+ATOM ? CA . VAL A A 59 59 ? 7.535 23.375 36.032 0.000 5.490 1 465 1
+ATOM ? CB . VAL A A 59 59 ? 6.265 24.260 36.001 0.000 5.490 1 466 1
+ATOM ? CG1 . VAL A A 59 59 ? 6.574 25.659 36.511 0.000 5.490 1 467 1
+ATOM ? CG2 . VAL A A 59 59 ? 5.704 24.312 34.589 0.000 5.490 1 468 1
+ATOM ? C . VAL A A 59 59 ? 8.082 23.253 37.466 0.000 5.490 1 469 1
+ATOM ? O . VAL A A 59 59 ? 7.372 22.782 38.365 0.000 5.490 1 470 1
+ATOM ? N . GLU A A 60 60 ? 9.352 23.616 37.660 0.000 2.910 1 471 1
+ATOM ? CA . GLU A A 60 60 ? 10.013 23.512 38.967 0.000 2.910 1 472 1
+ATOM ? CB . GLU A A 60 60 ? 9.459 24.542 39.965 0.000 2.910 1 473 1
+ATOM ? CG . GLU A A 60 60 ? 10.235 25.864 40.033 0.000 2.910 1 474 1
+ATOM ? CD . GLU A A 60 60 ? 9.331 27.065 40.194 0.000 2.910 1 475 1
+ATOM ? OE1 . GLU A A 60 60 ? 8.709 27.218 41.270 0.000 2.910 1 476 1
+ATOM ? OE2 . GLU A A 60 60 ? 9.227 27.870 39.240 0.000 2.910 1 477 1
+ATOM ? C . GLU A A 60 60 ? 9.798 22.106 39.502 0.000 2.910 1 478 1
+ATOM ? O . GLU A A 60 60 ? 9.617 21.909 40.704 0.000 2.910 1 479 1
+ATOM ? N . GLY A A 61 61 ? 9.799 21.135 38.594 0.000 3.750 1 480 1
+ATOM ? CA . GLY A A 61 61 ? 9.594 19.750 38.976 0.000 3.750 1 481 1
+ATOM ? C . GLY A A 61 61 ? 8.150 19.265 38.927 0.000 3.750 1 482 1
+ATOM ? O . GLY A A 61 61 ? 7.924 18.071 38.745 0.000 3.750 1 483 1
+ATOM ? N . ARG A A 62 62 ? 7.179 20.167 39.080 0.000 5.080 1 484 1
+ATOM ? CA . ARG A A 62 62 ? 5.755 19.805 39.057 0.000 5.080 1 485 1
+ATOM ? CB . ARG A A 62 62 ? 4.926 20.948 39.657 0.000 5.080 1 486 1
+ATOM ? CG . ARG A A 62 62 ? 3.423 20.695 39.756 0.000 5.080 1 487 1
+ATOM ? CD . ARG A A 62 62 ? 2.651 22.015 39.634 0.000 5.080 1 488 1
+ATOM ? NE . ARG A A 62 62 ? 1.276 21.928 40.134 0.000 5.080 1 489 1
+ATOM ? CZ . ARG A A 62 62 ? 0.378 22.911 40.051 0.000 5.080 1 490 1
+ATOM ? NH1 . ARG A A 62 62 ? 0.693 24.066 39.475 0.000 5.080 1 491 1
+ATOM ? NH2 . ARG A A 62 62 ? -0.821 22.757 40.600 0.000 5.080 1 492 1
+ATOM ? C . ARG A A 62 62 ? 5.202 19.447 37.658 0.000 5.080 1 493 1
+ATOM ? O . ARG A A 62 62 ? 5.256 20.265 36.724 0.000 5.080 1 494 1
+ATOM ? N . LEU A A 63 63 ? 4.639 18.243 37.538 0.000 25.880 1 495 1
+ATOM ? CA . LEU A A 63 63 ? 4.059 17.755 36.282 0.000 25.880 1 496 1
+ATOM ? CB . LEU A A 63 63 ? 3.754 16.261 36.391 0.000 25.880 1 497 1
+ATOM ? CG . LEU A A 63 63 ? 3.173 15.516 35.185 0.000 25.880 1 498 1
+ATOM ? CD1 . LEU A A 63 63 ? 4.130 15.575 34.008 0.000 25.880 1 499 1
+ATOM ? CD2 . LEU A A 63 63 ? 2.926 14.060 35.572 0.000 25.880 1 500 1
+ATOM ? C . LEU A A 63 63 ? 2.781 18.521 35.981 0.000 25.880 1 501 1
+ATOM ? O . LEU A A 63 63 ? 1.774 18.369 36.684 0.000 25.880 1 502 1
+ATOM ? N . VAL A A 64 64 ? 2.836 19.340 34.938 0.000 7.320 1 503 1
+ATOM ? CA . VAL A A 64 64 ? 1.718 20.183 34.515 0.000 7.320 1 504 1
+ATOM ? CB . VAL A A 64 64 ? 2.237 21.622 34.203 0.000 7.320 1 505 1
+ATOM ? CG1 . VAL A A 64 64 ? 1.121 22.530 33.701 0.000 7.320 1 506 1
+ATOM ? CG2 . VAL A A 64 64 ? 2.871 22.213 35.446 0.000 7.320 1 507 1
+ATOM ? C . VAL A A 64 64 ? 0.918 19.626 33.328 0.000 7.320 1 508 1
+ATOM ? O . VAL A A 64 64 ? -0.224 20.024 33.108 0.000 7.320 1 509 1
+ATOM ? N . ALA A A 65 65 ? 1.502 18.701 32.573 0.000 3.610 1 510 1
+ATOM ? CA . ALA A A 65 65 ? 0.825 18.102 31.418 0.000 3.610 1 511 1
+ATOM ? CB . ALA A A 65 65 ? 0.674 19.131 30.292 0.000 3.610 1 512 1
+ATOM ? C . ALA A A 65 65 ? 1.622 16.912 30.925 0.000 3.610 1 513 1
+ATOM ? O . ALA A A 65 65 ? 2.815 16.827 31.183 0.000 3.610 1 514 1
+ATOM ? N . PHE A A 66 66 ? 0.978 15.982 30.231 0.000 25.520 1 515 1
+ATOM ? CA . PHE A A 66 66 ? 1.683 14.809 29.707 0.000 25.520 1 516 1
+ATOM ? CB . PHE A A 66 66 ? 2.103 13.868 30.835 0.000 25.520 1 517 1
+ATOM ? CG . PHE A A 66 66 ? 0.961 13.349 31.645 0.000 25.520 1 518 1
+ATOM ? CD1 . PHE A A 66 66 ? 0.510 14.056 32.763 0.000 25.520 1 519 1
+ATOM ? CD2 . PHE A A 66 66 ? 0.341 12.148 31.312 0.000 25.520 1 520 1
+ATOM ? CE1 . PHE A A 66 66 ? -0.536 13.577 33.534 0.000 25.520 1 521 1
+ATOM ? CE2 . PHE A A 66 66 ? -0.706 11.661 32.077 0.000 25.520 1 522 1
+ATOM ? CZ . PHE A A 66 66 ? -1.146 12.380 33.193 0.000 25.520 1 523 1
+ATOM ? C . PHE A A 66 66 ? 0.886 14.025 28.661 0.000 25.520 1 524 1
+ATOM ? O . PHE A A 66 66 ? -0.313 14.246 28.471 0.000 25.520 1 525 1
+ATOM ? N . ILE A A 67 67 ? 1.599 13.181 27.930 0.000 6.430 1 526 1
+ATOM ? CA . ILE A A 67 67 ? 1.008 12.323 26.924 0.000 6.430 1 527 1
+ATOM ? CB . ILE A A 67 67 ? 1.327 12.769 25.505 0.000 6.430 1 528 1
+ATOM ? CG2 . ILE A A 67 67 ? 0.856 11.697 24.513 0.000 6.430 1 529 1
+ATOM ? CG1 . ILE A A 67 67 ? 0.693 14.137 25.220 0.000 6.430 1 530 1
+ATOM ? CD1 . ILE A A 67 67 ? 0.951 14.663 23.784 0.000 6.430 1 531 1
+ATOM ? C . ILE A A 67 67 ? 1.614 10.954 27.120 0.000 6.430 1 532 1
+ATOM ? O . ILE A A 67 67 ? 2.813 10.834 27.335 0.000 6.430 1 533 1
+ATOM ? N . ILE A A 68 68 ? 0.778 9.926 27.056 0.000 24.010 1 534 1
+ATOM ? CA . ILE A A 68 68 ? 1.212 8.544 27.233 0.000 24.010 1 535 1
+ATOM ? CB . ILE A A 68 68 ? 0.504 7.910 28.442 0.000 24.010 1 536 1
+ATOM ? CG2 . ILE A A 68 68 ? 0.931 6.448 28.607 0.000 24.010 1 537 1
+ATOM ? CG1 . ILE A A 68 68 ? 0.804 8.734 29.701 0.000 24.010 1 538 1
+ATOM ? CD1 . ILE A A 68 68 ? 0.043 8.298 30.918 0.000 24.010 1 539 1
+ATOM ? C . ILE A A 68 68 ? 0.839 7.753 25.985 0.000 24.010 1 540 1
+ATOM ? O . ILE A A 68 68 ? -0.339 7.683 25.617 0.000 24.010 1 541 1
+ATOM ? N . GLY A A 69 69 ? 1.825 7.123 25.359 0.000 0.830 1 542 1
+ATOM ? CA . GLY A A 69 69 ? 1.542 6.376 24.161 0.000 0.830 1 543 1
+ATOM ? C . GLY A A 69 69 ? 2.238 5.041 24.154 0.000 0.830 1 544 1
+ATOM ? O . GLY A A 69 69 ? 2.831 4.614 25.149 0.000 0.830 1 545 1
+ATOM ? N . SER A A 70 70 ? 2.154 4.374 23.017 0.000 0.670 1 546 1
+ATOM ? CA . SER A A 70 70 ? 2.782 3.086 22.836 0.000 0.670 1 547 1
+ATOM ? CB . SER A A 70 70 ? 1.919 1.966 23.409 0.000 0.670 1 548 1
+ATOM ? OG . SER A A 70 70 ? 0.753 1.774 22.623 0.000 0.670 1 549 1
+ATOM ? C . SER A A 70 70 ? 2.919 2.908 21.342 0.000 0.670 1 550 1
+ATOM ? O . SER A A 70 70 ? 2.428 3.727 20.569 0.000 0.670 1 551 1
+ATOM ? N . LEU A A 71 71 ? 3.573 1.834 20.939 0.000 0.720 1 552 1
+ATOM ? CA . LEU A A 71 71 ? 3.770 1.562 19.529 0.000 0.720 1 553 1
+ATOM ? CB . LEU A A 71 71 ? 5.187 1.025 19.283 0.000 0.720 1 554 1
+ATOM ? CG . LEU A A 71 71 ? 6.338 2.007 19.509 0.000 0.720 1 555 1
+ATOM ? CD1 . LEU A A 71 71 ? 7.647 1.268 19.402 0.000 0.720 1 556 1
+ATOM ? CD2 . LEU A A 71 71 ? 6.272 3.168 18.513 0.000 0.720 1 557 1
+ATOM ? C . LEU A A 71 71 ? 2.740 0.596 18.950 0.000 0.720 1 558 1
+ATOM ? O . LEU A A 71 71 ? 2.357 -0.378 19.589 0.000 0.720 1 559 1
+ATOM ? N . TRP A A 72 72 ? 2.295 0.883 17.734 0.000 0.200 1 560 1
+ATOM ? CA . TRP A A 72 72 ? 1.343 0.043 17.037 0.000 0.200 1 561 1
+ATOM ? CB . TRP A A 72 72 ? 0.073 0.815 16.710 0.000 0.200 1 562 1
+ATOM ? CG . TRP A A 72 72 ? -0.961 -0.037 16.073 0.000 0.200 1 563 1
+ATOM ? CD2 . TRP A A 72 72 ? -1.422 -1.326 16.522 0.000 0.200 1 564 1
+ATOM ? CD1 . TRP A A 72 72 ? -1.641 0.233 14.918 0.000 0.200 1 565 1
+ATOM ? NE1 . TRP A A 72 72 ? -2.494 -0.808 14.618 0.000 0.200 1 566 1
+ATOM ? CE2 . TRP A A 72 72 ? -2.377 -1.777 15.581 0.000 0.200 1 567 1
+ATOM ? CE3 . TRP A A 72 72 ? -1.117 -2.140 17.618 0.000 0.200 1 568 1
+ATOM ? CZ2 . TRP A A 72 72 ? -3.033 -3.004 15.706 0.000 0.200 1 569 1
+ATOM ? CZ3 . TRP A A 72 72 ? -1.761 -3.356 17.748 0.000 0.200 1 570 1
+ATOM ? CH2 . TRP A A 72 72 ? -2.711 -3.779 16.791 0.000 0.200 1 571 1
+ATOM ? C . TRP A A 72 72 ? 2.048 -0.392 15.757 0.000 0.200 1 572 1
+ATOM ? O . TRP A A 72 72 ? 2.769 0.397 15.139 0.000 0.200 1 573 1
+ATOM ? N . ASP A A 73 73 ? 1.833 -1.637 15.351 0.000 0.040 1 574 1
+ATOM ? CA . ASP A A 73 73 ? 2.493 -2.156 14.167 0.000 0.040 1 575 1
+ATOM ? CB . ASP A A 73 73 ? 3.358 -3.360 14.553 0.000 0.040 1 576 1
+ATOM ? CG . ASP A A 73 73 ? 2.536 -4.535 15.054 0.000 0.040 1 577 1
+ATOM ? OD1 . ASP A A 73 73 ? 1.370 -4.317 15.447 0.000 0.040 1 578 1
+ATOM ? OD2 . ASP A A 73 73 ? 3.060 -5.671 15.080 0.000 0.040 1 579 1
+ATOM ? C . ASP A A 73 73 ? 1.569 -2.533 13.017 0.000 0.040 1 580 1
+ATOM ? O . ASP A A 73 73 ? 1.895 -3.407 12.222 0.000 0.040 1 581 1
+ATOM ? N . GLU A A 74 74 ? 0.428 -1.873 12.906 0.000 0.150 1 582 1
+ATOM ? CA . GLU A A 74 74 ? -0.491 -2.179 11.822 0.000 0.150 1 583 1
+ATOM ? CB . GLU A A 74 74 ? -1.661 -3.025 12.305 0.000 0.150 1 584 1
+ATOM ? CG . GLU A A 74 74 ? -1.312 -4.450 12.695 0.000 0.150 1 585 1
+ATOM ? CD . GLU A A 74 74 ? -2.496 -5.201 13.290 0.000 0.150 1 586 1
+ATOM ? OE1 . GLU A A 74 74 ? -3.630 -4.997 12.796 0.000 0.150 1 587 1
+ATOM ? OE2 . GLU A A 74 74 ? -2.296 -5.976 14.255 0.000 0.150 1 588 1
+ATOM ? C . GLU A A 74 74 ? -1.010 -0.897 11.214 0.000 0.150 1 589 1
+ATOM ? O . GLU A A 74 74 ? -0.963 0.170 11.835 0.000 0.150 1 590 1
+ATOM ? N . GLU A A 75 75 ? -1.519 -1.017 9.994 0.000 0.400 1 591 1
+ATOM ? CA . GLU A A 75 75 ? -2.047 0.117 9.253 0.000 0.400 1 592 1
+ATOM ? CB . GLU A A 75 75 ? -2.413 -0.330 7.827 0.000 0.400 1 593 1
+ATOM ? CG . GLU A A 75 75 ? -2.805 0.808 6.870 0.000 0.400 1 594 1
+ATOM ? CD . GLU A A 75 75 ? -1.740 1.899 6.743 0.000 0.400 1 595 1
+ATOM ? OE1 . GLU A A 75 75 ? -0.527 1.602 6.894 0.000 0.400 1 596 1
+ATOM ? OE2 . GLU A A 75 75 ? -2.138 3.063 6.506 0.000 0.400 1 597 1
+ATOM ? C . GLU A A 75 75 ? -3.250 0.775 9.940 0.000 0.400 1 598 1
+ATOM ? O . GLU A A 75 75 ? -3.378 2.000 9.971 0.000 0.400 1 599 1
+ATOM ? N . ARG A A 76 76 ? -4.121 -0.048 10.504 0.000 1.010 1 600 1
+ATOM ? CA . ARG A A 76 76 ? -5.311 0.459 11.163 0.000 1.010 1 601 1
+ATOM ? CB . ARG A A 76 76 ? -6.564 -0.099 10.476 0.000 1.010 1 602 1
+ATOM ? CG . ARG A A 76 76 ? -6.617 0.088 8.959 0.000 1.010 1 603 1
+ATOM ? CD . ARG A A 76 76 ? -6.554 1.557 8.546 0.000 1.010 1 604 1
+ATOM ? NE . ARG A A 76 76 ? -6.965 1.751 7.155 0.000 1.010 1 605 1
+ATOM ? CZ . ARG A A 76 76 ? -6.349 2.557 6.294 0.000 1.010 1 606 1
+ATOM ? NH1 . ARG A A 76 76 ? -5.286 3.253 6.671 0.000 1.010 1 607 1
+ATOM ? NH2 . ARG A A 76 76 ? -6.793 2.659 5.048 0.000 1.010 1 608 1
+ATOM ? C . ARG A A 76 76 ? -5.321 0.078 12.640 0.000 1.010 1 609 1
+ATOM ? O . ARG A A 76 76 ? -4.656 -0.877 13.054 0.000 1.010 1 610 1
+ATOM ? N . LEU A A 77 77 ? -6.076 0.833 13.431 0.000 5.830 1 611 1
+ATOM ? CA . LEU A A 77 77 ? -6.201 0.565 14.855 0.000 5.830 1 612 1
+ATOM ? CB . LEU A A 77 77 ? -6.564 1.837 15.623 0.000 5.830 1 613 1
+ATOM ? CG . LEU A A 77 77 ? -5.510 2.942 15.672 0.000 5.830 1 614 1
+ATOM ? CD1 . LEU A A 77 77 ? -6.029 4.092 16.525 0.000 5.830 1 615 1
+ATOM ? CD2 . LEU A A 77 77 ? -4.198 2.388 16.234 0.000 5.830 1 616 1
+ATOM ? C . LEU A A 77 77 ? -7.275 -0.493 15.075 0.000 5.830 1 617 1
+ATOM ? O . LEU A A 77 77 ? -8.201 -0.648 14.264 0.000 5.830 1 618 1
+ATOM ? N . THR A A 78 78 ? -7.164 -1.188 16.199 0.000 11.910 1 619 1
+ATOM ? CA . THR A A 78 78 ? -8.093 -2.249 16.547 0.000 11.910 1 620 1
+ATOM ? CB . THR A A 78 78 ? -7.411 -3.628 16.380 0.000 11.910 1 621 1
+ATOM ? OG1 . THR A A 78 78 ? -6.307 -3.728 17.290 0.000 11.910 1 622 1
+ATOM ? CG2 . THR A A 78 78 ? -6.887 -3.809 14.956 0.000 11.910 1 623 1
+ATOM ? C . THR A A 78 78 ? -8.470 -2.048 18.005 0.000 11.910 1 624 1
+ATOM ? O . THR A A 78 78 ? -7.828 -1.276 18.708 0.000 11.910 1 625 1
+ATOM ? N . GLN A A 79 79 ? -9.516 -2.722 18.466 0.000 10.340 1 626 1
+ATOM ? CA . GLN A A 79 79 ? -9.914 -2.598 19.868 0.000 10.340 1 627 1
+ATOM ? CB . GLN A A 79 79 ? -11.097 -3.521 20.168 0.000 10.340 1 628 1
+ATOM ? CG . GLN A A 79 79 ? -12.457 -2.886 19.947 0.000 10.340 1 629 1
+ATOM ? CD . GLN A A 79 79 ? -12.770 -1.801 20.968 0.000 10.340 1 630 1
+ATOM ? OE1 . GLN A A 79 79 ? -13.306 -0.752 20.617 0.000 10.340 1 631 1
+ATOM ? NE2 . GLN A A 79 79 ? -12.442 -2.050 22.227 0.000 10.340 1 632 1
+ATOM ? C . GLN A A 79 79 ? -8.744 -2.935 20.802 0.000 10.340 1 633 1
+ATOM ? O . GLN A A 79 79 ? -8.499 -2.244 21.797 0.000 10.340 1 634 1
+ATOM ? N . GLU A A 80 80 ? -8.009 -3.990 20.456 0.000 6.690 1 635 1
+ATOM ? CA . GLU A A 80 80 ? -6.871 -4.422 21.259 0.000 6.690 1 636 1
+ATOM ? CB . GLU A A 80 80 ? -6.396 -5.805 20.810 0.000 6.690 1 637 1
+ATOM ? CG . GLU A A 80 80 ? -7.450 -6.892 20.923 0.000 6.690 1 638 1
+ATOM ? CD . GLU A A 80 80 ? -6.897 -8.281 20.649 0.000 6.690 1 639 1
+ATOM ? OE1 . GLU A A 80 80 ? -6.510 -8.558 19.496 0.000 6.690 1 640 1
+ATOM ? OE2 . GLU A A 80 80 ? -6.861 -9.102 21.593 0.000 6.690 1 641 1
+ATOM ? C . GLU A A 80 80 ? -5.689 -3.446 21.259 0.000 6.690 1 642 1
+ATOM ? O . GLU A A 80 80 ? -4.979 -3.352 22.258 0.000 6.690 1 643 1
+ATOM ? N . SER A A 81 81 ? -5.489 -2.711 20.163 0.000 13.810 1 644 1
+ATOM ? CA . SER A A 81 81 ? -4.371 -1.766 20.064 0.000 13.810 1 645 1
+ATOM ? CB . SER A A 81 81 ? -4.389 -1.059 18.714 0.000 13.810 1 646 1
+ATOM ? OG . SER A A 81 81 ? -5.518 -0.213 18.579 0.000 13.810 1 647 1
+ATOM ? C . SER A A 81 81 ? -4.369 -0.729 21.178 0.000 13.810 1 648 1
+ATOM ? O . SER A A 81 81 ? -3.316 -0.342 21.682 0.000 13.810 1 649 1
+ATOM ? N . LEU A A 82 82 ? -5.565 -0.318 21.569 0.000 50.000 1 650 1
+ATOM ? CA . LEU A A 82 82 ? -5.793 0.677 22.615 0.000 50.000 1 651 1
+ATOM ? CB . LEU A A 82 82 ? -7.304 0.800 22.833 0.000 50.000 1 652 1
+ATOM ? CG . LEU A A 82 82 ? -7.897 1.984 23.589 0.000 50.000 1 653 1
+ATOM ? CD1 . LEU A A 82 82 ? -9.129 2.468 22.832 0.000 50.000 1 654 1
+ATOM ? CD2 . LEU A A 82 82 ? -8.248 1.579 25.027 0.000 50.000 1 655 1
+ATOM ? C . LEU A A 82 82 ? -5.076 0.409 23.949 0.000 50.000 1 656 1
+ATOM ? O . LEU A A 82 82 ? -4.886 1.327 24.758 0.000 50.000 1 657 1
+ATOM ? N . ALA A A 83 83 ? -4.685 -0.843 24.171 0.000 5.690 1 658 1
+ATOM ? CA . ALA A A 83 83 ? -3.997 -1.226 25.397 0.000 5.690 1 659 1
+ATOM ? CB . ALA A A 83 83 ? -4.961 -1.958 26.309 0.000 5.690 1 660 1
+ATOM ? C . ALA A A 83 83 ? -2.768 -2.099 25.129 0.000 5.690 1 661 1
+ATOM ? O . ALA A A 83 83 ? -2.226 -2.721 26.047 0.000 5.690 1 662 1
+ATOM ? N . LEU A A 84 84 ? -2.325 -2.134 23.877 0.000 1.330 1 663 1
+ATOM ? CA . LEU A A 84 84 ? -1.178 -2.950 23.492 0.000 1.330 1 664 1
+ATOM ? CB . LEU A A 84 84 ? -1.560 -3.881 22.332 0.000 1.330 1 665 1
+ATOM ? CG . LEU A A 84 84 ? -2.047 -5.294 22.656 0.000 1.330 1 666 1
+ATOM ? CD1 . LEU A A 84 84 ? -3.111 -5.275 23.716 0.000 1.330 1 667 1
+ATOM ? CD2 . LEU A A 84 84 ? -2.570 -5.942 21.408 0.000 1.330 1 668 1
+ATOM ? C . LEU A A 84 84 ? 0.043 -2.129 23.099 0.000 1.330 1 669 1
+ATOM ? O . LEU A A 84 84 ? -0.053 -0.931 22.824 0.000 1.330 1 670 1
+ATOM ? N . HIS A A 85 85 ? 1.194 -2.793 23.098 0.000 4.580 1 671 1
+ATOM ? CA . HIS A A 85 85 ? 2.460 -2.186 22.717 0.000 4.580 1 672 1
+ATOM ? ND1 . HIS A A 85 85 ? 4.905 -0.151 22.906 0.000 4.580 1 673 1
+ATOM ? CG . HIS A A 85 85 ? 4.663 -1.314 23.605 0.000 4.580 1 674 1
+ATOM ? CB . HIS A A 85 85 ? 3.282 -1.776 23.945 0.000 4.580 1 675 1
+ATOM ? NE2 . HIS A A 85 85 ? 6.807 -1.094 23.175 0.000 4.580 1 676 1
+ATOM ? CD2 . HIS A A 85 85 ? 5.871 -1.900 23.781 0.000 4.580 1 677 1
+ATOM ? CE1 . HIS A A 85 85 ? 6.197 -0.046 22.657 0.000 4.580 1 678 1
+ATOM ? C . HIS A A 85 85 ? 3.228 -3.209 21.878 0.000 4.580 1 679 1
+ATOM ? O . HIS A A 85 85 ? 3.652 -4.253 22.373 0.000 4.580 1 680 1
+ATOM ? N . ARG A A 86 86 ? 3.340 -2.932 20.586 0.000 0.090 1 681 1
+ATOM ? CA . ARG A A 86 86 ? 4.059 -3.813 19.674 0.000 0.090 1 682 1
+ATOM ? CB . ARG A A 86 86 ? 3.283 -3.917 18.364 0.000 0.090 1 683 1
+ATOM ? CG . ARG A A 86 86 ? 1.850 -4.455 18.525 0.000 0.090 1 684 1
+ATOM ? CD . ARG A A 86 86 ? 1.803 -5.986 18.627 0.000 0.090 1 685 1
+ATOM ? NE . ARG A A 86 86 ? 0.445 -6.511 18.806 0.000 0.090 1 686 1
+ATOM ? CZ . ARG A A 86 86 ? -0.443 -6.703 17.826 0.000 0.090 1 687 1
+ATOM ? NH1 . ARG A A 86 86 ? -0.145 -6.418 16.563 0.000 0.090 1 688 1
+ATOM ? NH2 . ARG A A 86 86 ? -1.645 -7.188 18.113 0.000 0.090 1 689 1
+ATOM ? C . ARG A A 86 86 ? 5.428 -3.161 19.468 0.000 0.090 1 690 1
+ATOM ? O . ARG A A 86 86 ? 5.548 -2.193 18.712 0.000 0.090 1 691 1
+ATOM ? N . PRO A A 87 87 ? 6.475 -3.685 20.148 0.000 0.310 1 692 1
+ATOM ? CA . PRO A A 87 87 ? 7.878 -3.241 20.138 0.000 0.310 1 693 1
+ATOM ? CD . PRO A A 87 87 ? 6.356 -4.944 20.916 0.000 0.310 1 694 1
+ATOM ? CB . PRO A A 87 87 ? 8.614 -4.430 20.761 0.000 0.310 1 695 1
+ATOM ? CG . PRO A A 87 87 ? 7.629 -4.944 21.744 0.000 0.310 1 696 1
+ATOM ? C . PRO A A 87 87 ? 8.497 -2.836 18.802 0.000 0.310 1 697 1
+ATOM ? O . PRO A A 87 87 ? 9.143 -1.795 18.704 0.000 0.310 1 698 1
+ATOM ? N . ARG A A 88 88 ? 8.345 -3.679 17.790 0.000 0.340 1 699 1
+ATOM ? CA . ARG A A 88 88 ? 8.905 -3.390 16.472 0.000 0.340 1 700 1
+ATOM ? CB . ARG A A 88 88 ? 9.406 -4.682 15.824 0.000 0.340 1 701 1
+ATOM ? CG . ARG A A 88 88 ? 10.029 -4.536 14.415 0.000 0.340 1 702 1
+ATOM ? CD . ARG A A 88 88 ? 10.518 -5.861 13.806 0.000 0.340 1 703 1
+ATOM ? NE . ARG A A 88 88 ? 11.089 -5.542 12.452 0.000 0.340 1 704 1
+ATOM ? CZ . ARG A A 88 88 ? 11.608 -6.472 11.639 0.000 0.340 1 705 1
+ATOM ? NH1 . ARG A A 88 88 ? 11.681 -7.752 11.986 0.000 0.340 1 706 1
+ATOM ? NH2 . ARG A A 88 88 ? 12.087 -6.077 10.461 0.000 0.340 1 707 1
+ATOM ? C . ARG A A 88 88 ? 7.849 -2.718 15.601 0.000 0.340 1 708 1
+ATOM ? O . ARG A A 88 88 ? 7.659 -3.082 14.442 0.000 0.340 1 709 1
+ATOM ? N . GLY A A 89 89 ? 7.161 -1.736 16.172 0.000 0.230 1 710 1
+ATOM ? CA . GLY A A 89 89 ? 6.114 -1.038 15.446 0.000 0.230 1 711 1
+ATOM ? C . GLY A A 89 89 ? 6.546 0.323 14.945 0.000 0.230 1 712 1
+ATOM ? O . GLY A A 89 89 ? 7.399 0.965 15.552 0.000 0.230 1 713 1
+ATOM ? N . HIS A A 90 90 ? 5.910 0.798 13.882 0.000 0.070 1 714 1
+ATOM ? CA . HIS A A 90 90 ? 6.274 2.081 13.302 0.000 0.070 1 715 1
+ATOM ? ND1 . HIS A A 90 90 ? 8.878 0.934 12.142 0.000 0.070 1 716 1
+ATOM ? CG . HIS A A 90 90 ? 7.653 0.908 11.506 0.000 0.070 1 717 1
+ATOM ? CB . HIS A A 90 90 ? 6.556 1.893 11.803 0.000 0.070 1 718 1
+ATOM ? NE2 . HIS A A 90 90 ? 8.952 -0.710 10.769 0.000 0.070 1 719 1
+ATOM ? CD2 . HIS A A 90 90 ? 7.707 -0.133 10.638 0.000 0.070 1 720 1
+ATOM ? CE1 . HIS A A 90 90 ? 9.639 -0.047 11.684 0.000 0.070 1 721 1
+ATOM ? C . HIS A A 90 90 ? 5.309 3.247 13.545 0.000 0.070 1 722 1
+ATOM ? O . HIS A A 90 90 ? 5.472 4.306 12.955 0.000 0.070 1 723 1
+ATOM ? N . SER A A 91 91 ? 4.345 3.081 14.445 0.000 0.240 1 724 1
+ATOM ? CA . SER A A 91 91 ? 3.395 4.156 14.733 0.000 0.240 1 725 1
+ATOM ? CB . SER A A 91 91 ? 1.997 3.790 14.223 0.000 0.240 1 726 1
+ATOM ? OG . SER A A 91 91 ? 2.021 3.420 12.862 0.000 0.240 1 727 1
+ATOM ? C . SER A A 91 91 ? 3.285 4.478 16.211 0.000 0.240 1 728 1
+ATOM ? O . SER A A 91 91 ? 3.210 3.570 17.043 0.000 0.240 1 729 1
+ATOM ? N . ALA A A 92 92 ? 3.277 5.772 16.539 0.000 0.090 1 730 1
+ATOM ? CA . ALA A A 92 92 ? 3.120 6.219 17.926 0.000 0.090 1 731 1
+ATOM ? CB . ALA A A 92 92 ? 3.845 7.533 18.169 0.000 0.090 1 732 1
+ATOM ? C . ALA A A 92 92 ? 1.623 6.372 18.213 0.000 0.090 1 733 1
+ATOM ? O . ALA A A 92 92 ? 0.958 7.270 17.704 0.000 0.090 1 734 1
+ATOM ? N . HIS A A 93 93 ? 1.084 5.425 18.960 0.000 2.910 1 735 1
+ATOM ? CA . HIS A A 93 93 ? -0.324 5.426 19.312 0.000 2.910 1 736 1
+ATOM ? ND1 . HIS A A 93 93 ? -2.909 2.622 19.773 0.000 2.910 1 737 1
+ATOM ? CG . HIS A A 93 93 ? -2.282 3.847 19.649 0.000 2.910 1 738 1
+ATOM ? CB . HIS A A 93 93 ? -0.801 3.983 19.497 0.000 2.910 1 739 1
+ATOM ? NE2 . HIS A A 93 93 ? -4.449 4.103 19.925 0.000 2.910 1 740 1
+ATOM ? CD2 . HIS A A 93 93 ? -3.263 4.776 19.742 0.000 2.910 1 741 1
+ATOM ? CE1 . HIS A A 93 93 ? -4.207 2.804 19.939 0.000 2.910 1 742 1
+ATOM ? C . HIS A A 93 93 ? -0.532 6.255 20.585 0.000 2.910 1 743 1
+ATOM ? O . HIS A A 93 93 ? -0.064 5.897 21.672 0.000 2.910 1 744 1
+ATOM ? N . LEU A A 94 94 ? -1.195 7.388 20.424 1.000 22.570 1 745 1
+ATOM ? CA . LEU A A 94 94 ? -1.479 8.273 21.538 1.000 22.570 1 746 1
+ATOM ? CB . LEU A A 94 94 ? -1.884 9.646 20.998 1.000 22.570 1 747 1
+ATOM ? CG . LEU A A 94 94 ? -0.886 10.608 20.345 1.000 22.570 1 748 1
+ATOM ? CD1 . LEU A A 94 94 ? -0.114 11.269 21.448 1.000 22.570 1 749 1
+ATOM ? CD2 . LEU A A 94 94 ? 0.020 9.958 19.298 1.000 22.570 1 750 1
+ATOM ? C . LEU A A 94 94 ? -2.642 7.675 22.327 1.000 22.570 1 751 1
+ATOM ? O . LEU A A 94 94 ? -3.678 7.336 21.751 1.000 22.570 1 752 1
+ATOM ? N . HIS A A 95 95 ? -2.473 7.550 23.640 1.000 54.990 1 753 1
+ATOM ? CA . HIS A A 95 95 ? -3.508 6.997 24.496 1.000 54.990 1 754 1
+ATOM ? ND1 . HIS A A 95 95 ? -3.223 4.092 23.483 1.000 54.990 1 755 1
+ATOM ? CG . HIS A A 95 95 ? -2.451 4.727 24.433 1.000 54.990 1 756 1
+ATOM ? CB . HIS A A 95 95 ? -2.932 5.849 25.289 1.000 54.990 1 757 1
+ATOM ? NE2 . HIS A A 95 95 ? -1.262 3.108 23.420 1.000 54.990 1 758 1
+ATOM ? CD2 . HIS A A 95 95 ? -1.242 4.118 24.383 1.000 54.990 1 759 1
+ATOM ? CE1 . HIS A A 95 95 ? -2.477 3.132 22.911 1.000 54.990 1 760 1
+ATOM ? C . HIS A A 95 95 ? -4.163 8.002 25.439 1.000 54.990 1 761 1
+ATOM ? O . HIS A A 95 95 ? -5.328 7.841 25.807 1.000 54.990 1 762 1
+ATOM ? N . ALA A A 96 96 ? -3.430 9.049 25.820 1.000 53.660 1 763 1
+ATOM ? CA . ALA A A 96 96 ? -3.967 10.069 26.720 1.000 53.660 1 764 1
+ATOM ? CB . ALA A A 96 96 ? -3.971 9.545 28.140 1.000 53.660 1 765 1
+ATOM ? C . ALA A A 96 96 ? -3.183 11.376 26.657 1.000 53.660 1 766 1
+ATOM ? O . ALA A A 96 96 ? -1.955 11.358 26.619 1.000 53.660 1 767 1
+ATOM ? N . LEU A A 97 97 ? -3.901 12.497 26.627 1.000 37.170 1 768 1
+ATOM ? CA . LEU A A 97 97 ? -3.305 13.835 26.596 1.000 37.170 1 769 1
+ATOM ? CB . LEU A A 97 97 ? -3.607 14.534 25.262 1.000 37.170 1 770 1
+ATOM ? CG . LEU A A 97 97 ? -2.926 15.853 24.859 1.000 37.170 1 771 1
+ATOM ? CD1 . LEU A A 97 97 ? -3.457 16.258 23.502 1.000 37.170 1 772 1
+ATOM ? CD2 . LEU A A 97 97 ? -3.174 16.984 25.840 1.000 37.170 1 773 1
+ATOM ? C . LEU A A 97 97 ? -3.983 14.583 27.735 1.000 37.170 1 774 1
+ATOM ? O . LEU A A 97 97 ? -5.163 14.929 27.640 1.000 37.170 1 775 1
+ATOM ? N . ALA A A 98 98 ? -3.236 14.834 28.802 1.000 18.510 1 776 1
+ATOM ? CA . ALA A A 98 98 ? -3.788 15.494 29.967 1.000 18.510 1 777 1
+ATOM ? CB . ALA A A 98 98 ? -3.751 14.553 31.164 1.000 18.510 1 778 1
+ATOM ? C . ALA A A 98 98 ? -3.094 16.784 30.315 1.000 18.510 1 779 1
+ATOM ? O . ALA A A 98 98 ? -1.868 16.866 30.287 1.000 18.510 1 780 1
+ATOM ? N . VAL A A 99 99 ? -3.897 17.793 30.639 1.000 23.040 1 781 1
+ATOM ? CA . VAL A A 99 99 ? -3.410 19.109 31.026 1.000 23.040 1 782 1
+ATOM ? CB . VAL A A 99 99 ? -4.136 20.252 30.259 1.000 23.040 1 783 1
+ATOM ? CG1 . VAL A A 99 99 ? -3.560 21.601 30.654 1.000 23.040 1 784 1
+ATOM ? CG2 . VAL A A 99 99 ? -4.001 20.058 28.759 1.000 23.040 1 785 1
+ATOM ? C . VAL A A 99 99 ? -3.730 19.196 32.511 1.000 23.040 1 786 1
+ATOM ? O . VAL A A 99 99 ? -4.887 19.318 32.911 1.000 23.040 1 787 1
+ATOM ? N . HIS A A 100 100 ? -2.695 19.100 33.328 0.000 24.460 1 788 1
+ATOM ? CA . HIS A A 100 100 ? -2.860 19.115 34.769 0.000 24.460 1 789 1
+ATOM ? ND1 . HIS A A 100 100 ? -2.738 16.225 35.041 0.000 24.460 1 790 1
+ATOM ? CG . HIS A A 100 100 ? -1.869 17.013 35.763 0.000 24.460 1 791 1
+ATOM ? CB . HIS A A 100 100 ? -1.656 18.460 35.456 0.000 24.460 1 792 1
+ATOM ? NE2 . HIS A A 100 100 ? -1.986 15.000 36.628 0.000 24.460 1 793 1
+ATOM ? CD2 . HIS A A 100 100 ? -1.392 16.232 36.760 0.000 24.460 1 794 1
+ATOM ? CE1 . HIS A A 100 100 ? -2.794 15.023 35.583 0.000 24.460 1 795 1
+ATOM ? C . HIS A A 100 100 ? -3.231 20.415 35.452 0.000 24.460 1 796 1
+ATOM ? O . HIS A A 100 100 ? -3.400 21.447 34.795 0.000 24.460 1 797 1
+ATOM ? N . ARG A A 101 101 ? -3.446 20.295 36.766 0.000 5.830 1 798 1
+ATOM ? CA . ARG A A 101 101 ? -3.828 21.375 37.671 0.000 5.830 1 799 1
+ATOM ? CB . ARG A A 101 101 ? -2.592 21.934 38.341 0.000 5.830 1 800 1
+ATOM ? CG . ARG A A 101 101 ? -2.829 23.094 39.338 0.000 5.830 1 801 1
+ATOM ? CD . ARG A A 101 101 ? -1.543 23.629 39.992 0.000 5.830 1 802 1
+ATOM ? NE . ARG A A 101 101 ? -1.949 24.740 40.920 0.000 5.830 1 803 1
+ATOM ? CZ . ARG A A 101 101 ? -1.071 25.433 41.658 0.000 5.830 1 804 1
+ATOM ? NH1 . ARG A A 101 101 ? 0.232 25.168 41.641 0.000 5.830 1 805 1
+ATOM ? NH2 . ARG A A 101 101 ? -1.539 26.396 42.448 0.000 5.830 1 806 1
+ATOM ? C . ARG A A 101 101 ? -4.628 22.480 36.986 0.000 5.830 1 807 1
+ATOM ? O . ARG A A 101 101 ? -4.482 23.668 37.310 0.000 5.830 1 808 1
+ATOM ? N . SER A A 102 102 ? -5.480 22.070 36.048 0.000 5.200 1 809 1
+ATOM ? CA . SER A A 102 102 ? -6.305 22.984 35.273 0.000 5.200 1 810 1
+ATOM ? CB . SER A A 102 102 ? -7.497 23.462 36.098 0.000 5.200 1 811 1
+ATOM ? OG . SER A A 102 102 ? -8.477 24.068 35.267 0.000 5.200 1 812 1
+ATOM ? C . SER A A 102 102 ? -5.528 24.182 34.692 0.000 5.200 1 813 1
+ATOM ? O . SER A A 102 102 ? -5.669 25.325 35.145 0.000 5.200 1 814 1
+ATOM ? N . PHE A A 103 103 ? -4.652 23.895 33.734 1.000 6.610 1 815 1
+ATOM ? CA . PHE A A 103 103 ? -3.899 24.934 33.034 1.000 6.610 1 816 1
+ATOM ? CB . PHE A A 103 103 ? -2.440 24.523 32.826 1.000 6.610 1 817 1
+ATOM ? CG . PHE A A 103 103 ? -1.554 24.805 34.001 1.000 6.610 1 818 1
+ATOM ? CD1 . PHE A A 103 103 ? -1.750 24.154 35.213 1.000 6.610 1 819 1
+ATOM ? CD2 . PHE A A 103 103 ? -0.513 25.719 33.893 1.000 6.610 1 820 1
+ATOM ? CE1 . PHE A A 103 103 ? -0.920 24.410 36.308 1.000 6.610 1 821 1
+ATOM ? CE2 . PHE A A 103 103 ? 0.325 25.985 34.977 1.000 6.610 1 822 1
+ATOM ? CZ . PHE A A 103 103 ? 0.120 25.327 36.188 1.000 6.610 1 823 1
+ATOM ? C . PHE A A 103 103 ? -4.611 25.051 31.689 1.000 6.610 1 824 1
+ATOM ? O . PHE A A 103 103 ? -3.984 25.212 30.634 1.000 6.610 1 825 1
+ATOM ? N . ARG A A 104 104 ? -5.932 24.911 31.747 1.000 15.550 1 826 1
+ATOM ? CA . ARG A A 104 104 ? -6.800 24.970 30.583 1.000 15.550 1 827 1
+ATOM ? CB . ARG A A 104 104 ? -8.241 24.698 31.000 1.000 15.550 1 828 1
+ATOM ? CG . ARG A A 104 104 ? -9.292 24.726 29.864 1.000 15.550 1 829 1
+ATOM ? CD . ARG A A 104 104 ? -10.730 24.447 30.336 1.000 15.550 1 830 1
+ATOM ? NE . ARG A A 104 104 ? -11.613 24.511 29.120 1.000 15.550 1 831 1
+ATOM ? CZ . ARG A A 104 104 ? -12.937 24.314 29.168 1.000 15.550 1 832 1
+ATOM ? NH1 . ARG A A 104 104 ? -13.567 24.017 30.300 1.000 15.550 1 833 1
+ATOM ? NH2 . ARG A A 104 104 ? -13.624 24.394 28.030 1.000 15.550 1 834 1
+ATOM ? C . ARG A A 104 104 ? -6.691 26.331 29.909 1.000 15.550 1 835 1
+ATOM ? O . ARG A A 104 104 ? -6.321 27.319 30.548 1.000 15.550 1 836 1
+ATOM ? N . GLN A A 105 105 ? -6.996 26.365 28.613 1.000 9.810 1 837 1
+ATOM ? CA . GLN A A 105 105 ? -6.955 27.590 27.804 1.000 9.810 1 838 1
+ATOM ? CB . GLN A A 105 105 ? -8.107 28.539 28.180 1.000 9.810 1 839 1
+ATOM ? CG . GLN A A 105 105 ? -9.456 28.238 27.505 1.000 9.810 1 840 1
+ATOM ? CD . GLN A A 105 105 ? -10.219 27.098 28.159 1.000 9.810 1 841 1
+ATOM ? OE1 . GLN A A 105 105 ? -10.017 25.927 27.831 1.000 9.810 1 842 1
+ATOM ? NE2 . GLN A A 105 105 ? -11.111 27.439 29.083 1.000 9.810 1 843 1
+ATOM ? C . GLN A A 105 105 ? -5.632 28.374 27.757 1.000 9.810 1 844 1
+ATOM ? O . GLN A A 105 105 ? -5.632 29.558 27.404 1.000 9.810 1 845 1
+ATOM ? N . GLN A A 106 106 ? -4.514 27.719 28.071 1.000 7.940 1 846 1
+ATOM ? CA . GLN A A 106 106 ? -3.208 28.383 28.039 1.000 7.940 1 847 1
+ATOM ? CB . GLN A A 106 106 ? -2.479 28.202 29.368 1.000 7.940 1 848 1
+ATOM ? CG . GLN A A 106 106 ? -3.050 29.033 30.493 1.000 7.940 1 849 1
+ATOM ? CD . GLN A A 106 106 ? -2.211 28.949 31.750 1.000 7.940 1 850 1
+ATOM ? OE1 . GLN A A 106 106 ? -1.091 29.450 31.795 1.000 7.940 1 851 1
+ATOM ? NE2 . GLN A A 106 106 ? -2.746 28.306 32.778 1.000 7.940 1 852 1
+ATOM ? C . GLN A A 106 106 ? -2.322 27.909 26.885 1.000 7.940 1 853 1
+ATOM ? O . GLN A A 106 106 ? -1.160 28.303 26.780 1.000 7.940 1 854 1
+ATOM ? N . GLY A A 107 107 ? -2.885 27.074 26.018 1.000 7.200 1 855 1
+ATOM ? CA . GLY A A 107 107 ? -2.146 26.555 24.882 1.000 7.200 1 856 1
+ATOM ? C . GLY A A 107 107 ? -1.177 25.442 25.222 1.000 7.200 1 857 1
+ATOM ? O . GLY A A 107 107 ? -0.452 24.961 24.352 1.000 7.200 1 858 1
+ATOM ? N . LYS A A 108 108 ? -1.190 24.993 26.470 1.000 6.050 1 859 1
+ATOM ? CA . LYS A A 108 108 ? -0.281 23.940 26.903 1.000 6.050 1 860 1
+ATOM ? CB . LYS A A 108 108 ? -0.293 23.844 28.427 1.000 6.050 1 861 1
+ATOM ? CG . LYS A A 108 108 ? 0.170 25.129 29.081 1.000 6.050 1 862 1
+ATOM ? CD . LYS A A 108 108 ? 0.470 24.959 30.547 1.000 6.050 1 863 1
+ATOM ? CE . LYS A A 108 108 ? 1.146 26.210 31.064 1.000 6.050 1 864 1
+ATOM ? NZ . LYS A A 108 108 ? 0.338 27.420 30.741 1.000 6.050 1 865 1
+ATOM ? C . LYS A A 108 108 ? -0.535 22.578 26.262 1.000 6.050 1 866 1
+ATOM ? O . LYS A A 108 108 ? 0.386 21.777 26.083 1.000 6.050 1 867 1
+ATOM ? N . GLY A A 109 109 ? -1.781 22.330 25.885 1.000 11.360 1 868 1
+ATOM ? CA . GLY A A 109 109 ? -2.120 21.069 25.262 1.000 11.360 1 869 1
+ATOM ? C . GLY A A 109 109 ? -1.427 20.969 23.926 1.000 11.360 1 870 1
+ATOM ? O . GLY A A 109 109 ? -0.784 19.964 23.651 1.000 11.360 1 871 1
+ATOM ? N . SER A A 110 110 ? -1.524 22.021 23.116 1.000 3.800 1 872 1
+ATOM ? CA . SER A A 110 110 ? -0.895 22.033 21.796 1.000 3.800 1 873 1
+ATOM ? CB . SER A A 110 110 ? -1.399 23.207 20.930 1.000 3.800 1 874 1
+ATOM ? OG . SER A A 110 110 ? -1.259 24.462 21.570 1.000 3.800 1 875 1
+ATOM ? C . SER A A 110 110 ? 0.628 22.040 21.867 1.000 3.800 1 876 1
+ATOM ? O . SER A A 110 110 ? 1.291 21.325 21.101 1.000 3.800 1 877 1
+ATOM ? N . VAL A A 111 111 ? 1.173 22.823 22.793 0.000 1.110 1 878 1
+ATOM ? CA . VAL A A 111 111 ? 2.618 22.910 22.958 0.000 1.110 1 879 1
+ATOM ? CB . VAL A A 111 111 ? 3.020 23.899 24.092 0.000 1.110 1 880 1
+ATOM ? CG1 . VAL A A 111 111 ? 4.485 23.723 24.467 0.000 1.110 1 881 1
+ATOM ? CG2 . VAL A A 111 111 ? 2.778 25.331 23.643 0.000 1.110 1 882 1
+ATOM ? C . VAL A A 111 111 ? 3.189 21.525 23.232 0.000 1.110 1 883 1
+ATOM ? O . VAL A A 111 111 ? 4.145 21.094 22.574 0.000 1.110 1 884 1
+ATOM ? N . LEU A A 112 112 ? 2.556 20.812 24.154 0.000 2.340 1 885 1
+ATOM ? CA . LEU A A 112 112 ? 2.998 19.474 24.528 0.000 2.340 1 886 1
+ATOM ? CB . LEU A A 112 112 ? 2.179 18.966 25.719 0.000 2.340 1 887 1
+ATOM ? CG . LEU A A 112 112 ? 2.484 17.587 26.319 0.000 2.340 1 888 1
+ATOM ? CD1 . LEU A A 112 112 ? 3.816 17.551 27.066 0.000 2.340 1 889 1
+ATOM ? CD2 . LEU A A 112 112 ? 1.361 17.255 27.260 0.000 2.340 1 890 1
+ATOM ? C . LEU A A 112 112 ? 2.884 18.502 23.354 0.000 2.340 1 891 1
+ATOM ? O . LEU A A 112 112 ? 3.802 17.728 23.077 0.000 2.340 1 892 1
+ATOM ? N . LEU A A 113 113 ? 1.767 18.575 22.638 0.000 3.570 1 893 1
+ATOM ? CA . LEU A A 113 113 ? 1.521 17.686 21.510 0.000 3.570 1 894 1
+ATOM ? CB . LEU A A 113 113 ? 0.084 17.843 20.999 0.000 3.570 1 895 1
+ATOM ? CG . LEU A A 113 113 ? -0.345 16.822 19.937 0.000 3.570 1 896 1
+ATOM ? CD1 . LEU A A 113 113 ? -0.137 15.424 20.458 0.000 3.570 1 897 1
+ATOM ? CD2 . LEU A A 113 113 ? -1.784 17.032 19.542 0.000 3.570 1 898 1
+ATOM ? C . LEU A A 113 113 ? 2.539 17.913 20.394 0.000 3.570 1 899 1
+ATOM ? O . LEU A A 113 113 ? 3.074 16.948 19.823 0.000 3.570 1 900 1
+ATOM ? N . TRP A A 114 114 ? 2.800 19.188 20.099 0.000 0.910 1 901 1
+ATOM ? CA . TRP A A 114 114 ? 3.779 19.586 19.082 0.000 0.910 1 902 1
+ATOM ? CB . TRP A A 114 114 ? 3.985 21.106 19.108 0.000 0.910 1 903 1
+ATOM ? CG . TRP A A 114 114 ? 2.898 21.995 18.532 0.000 0.910 1 904 1
+ATOM ? CD2 . TRP A A 114 114 ? 2.320 21.914 17.233 0.000 0.910 1 905 1
+ATOM ? CD1 . TRP A A 114 114 ? 2.389 23.144 19.102 0.000 0.910 1 906 1
+ATOM ? NE1 . TRP A A 114 114 ? 1.547 23.784 18.228 0.000 0.910 1 907 1
+ATOM ? CE2 . TRP A A 114 114 ? 1.481 23.054 17.074 0.000 0.910 1 908 1
+ATOM ? CE3 . TRP A A 114 114 ? 2.432 21.002 16.184 0.000 0.910 1 909 1
+ATOM ? CZ2 . TRP A A 114 114 ? 0.766 23.303 15.908 0.000 0.910 1 910 1
+ATOM ? CZ3 . TRP A A 114 114 ? 1.720 21.250 15.018 0.000 0.910 1 911 1
+ATOM ? CH2 . TRP A A 114 114 ? 0.894 22.398 14.890 0.000 0.910 1 912 1
+ATOM ? C . TRP A A 114 114 ? 5.133 18.938 19.450 0.000 0.910 1 913 1
+ATOM ? O . TRP A A 114 114 ? 5.802 18.328 18.615 0.000 0.910 1 914 1
+ATOM ? N . ARG A A 115 115 ? 5.519 19.067 20.714 0.000 1.940 1 915 1
+ATOM ? CA . ARG A A 115 115 ? 6.770 18.504 21.189 0.000 1.940 1 916 1
+ATOM ? CB . ARG A A 115 115 ? 7.124 19.084 22.566 0.000 1.940 1 917 1
+ATOM ? CG . ARG A A 115 115 ? 7.239 20.623 22.551 0.000 1.940 1 918 1
+ATOM ? CD . ARG A A 115 115 ? 7.748 21.208 23.853 0.000 1.940 1 919 1
+ATOM ? NE . ARG A A 115 115 ? 9.132 20.830 24.111 0.000 1.940 1 920 1
+ATOM ? CZ . ARG A A 115 115 ? 10.085 21.685 24.467 0.000 1.940 1 921 1
+ATOM ? NH1 . ARG A A 115 115 ? 9.805 22.978 24.611 0.000 1.940 1 922 1
+ATOM ? NH2 . ARG A A 115 115 ? 11.321 21.250 24.681 0.000 1.940 1 923 1
+ATOM ? C . ARG A A 115 115 ? 6.746 16.982 21.229 0.000 1.940 1 924 1
+ATOM ? O . ARG A A 115 115 ? 7.758 16.346 20.967 0.000 1.940 1 925 1
+ATOM ? N . TYR A A 116 116 ? 5.595 16.391 21.533 0.000 2.390 1 926 1
+ATOM ? CA . TYR A A 116 116 ? 5.495 14.940 21.602 0.000 2.390 1 927 1
+ATOM ? CB . TYR A A 116 116 ? 4.134 14.511 22.161 0.000 2.390 1 928 1
+ATOM ? CG . TYR A A 116 116 ? 3.946 13.003 22.176 0.000 2.390 1 929 1
+ATOM ? CD1 . TYR A A 116 116 ? 4.437 12.236 23.212 0.000 2.390 1 930 1
+ATOM ? CD2 . TYR A A 116 116 ? 3.353 12.336 21.119 0.000 2.390 1 931 1
+ATOM ? CE1 . TYR A A 116 116 ? 4.346 10.845 23.191 0.000 2.390 1 932 1
+ATOM ? CE2 . TYR A A 116 116 ? 3.270 10.944 21.106 0.000 2.390 1 933 1
+ATOM ? CZ . TYR A A 116 116 ? 3.763 10.203 22.143 0.000 2.390 1 934 1
+ATOM ? OH . TYR A A 116 116 ? 3.662 8.846 22.137 0.000 2.390 1 935 1
+ATOM ? C . TYR A A 116 116 ? 5.731 14.304 20.232 0.000 2.390 1 936 1
+ATOM ? O . TYR A A 116 116 ? 6.484 13.337 20.105 0.000 2.390 1 937 1
+ATOM ? N . LEU A A 117 117 ? 5.085 14.840 19.209 0.000 0.920 1 938 1
+ATOM ? CA . LEU A A 117 117 ? 5.242 14.308 17.854 0.000 0.920 1 939 1
+ATOM ? CB . LEU A A 117 117 ? 4.291 15.023 16.897 0.000 0.920 1 940 1
+ATOM ? CG . LEU A A 117 117 ? 2.815 14.849 17.241 0.000 0.920 1 941 1
+ATOM ? CD1 . LEU A A 117 117 ? 1.973 15.860 16.479 0.000 0.920 1 942 1
+ATOM ? CD2 . LEU A A 117 117 ? 2.394 13.432 16.923 0.000 0.920 1 943 1
+ATOM ? C . LEU A A 117 117 ? 6.686 14.437 17.364 0.000 0.920 1 944 1
+ATOM ? O . LEU A A 117 117 ? 7.191 13.567 16.649 0.000 0.920 1 945 1
+ATOM ? N . HIS A A 118 118 ? 7.345 15.532 17.753 0.000 0.460 1 946 1
+ATOM ? CA . HIS A A 118 118 ? 8.733 15.763 17.379 0.000 0.460 1 947 1
+ATOM ? ND1 . HIS A A 118 118 ? 11.536 17.943 17.906 0.000 0.460 1 948 1
+ATOM ? CG . HIS A A 118 118 ? 10.477 17.583 17.097 0.000 0.460 1 949 1
+ATOM ? CB . HIS A A 118 118 ? 9.130 17.225 17.639 0.000 0.460 1 950 1
+ATOM ? NE2 . HIS A A 118 118 ? 12.285 17.928 15.895 0.000 0.460 1 951 1
+ATOM ? CD2 . HIS A A 118 118 ? 10.957 17.580 15.830 0.000 0.460 1 952 1
+ATOM ? CE1 . HIS A A 118 118 ? 12.609 18.141 17.160 0.000 0.460 1 953 1
+ATOM ? C . HIS A A 118 118 ? 9.637 14.798 18.161 0.000 0.460 1 954 1
+ATOM ? O . HIS A A 118 118 ? 10.577 14.238 17.610 0.000 0.460 1 955 1
+ATOM ? N . HIS A A 119 119 ? 9.307 14.574 19.430 0.000 0.630 1 956 1
+ATOM ? CA . HIS A A 119 119 ? 10.052 13.663 20.288 0.000 0.630 1 957 1
+ATOM ? ND1 . HIS A A 119 119 ? 11.308 12.499 22.927 0.000 0.630 1 958 1
+ATOM ? CG . HIS A A 119 119 ? 9.973 12.632 22.613 0.000 0.630 1 959 1
+ATOM ? CB . HIS A A 119 119 ? 9.458 13.701 21.694 0.000 0.630 1 960 1
+ATOM ? NE2 . HIS A A 119 119 ? 10.271 10.989 24.038 0.000 0.630 1 961 1
+ATOM ? CD2 . HIS A A 119 119 ? 9.323 11.673 23.319 0.000 0.630 1 962 1
+ATOM ? CE1 . HIS A A 119 119 ? 11.458 11.506 23.786 0.000 0.630 1 963 1
+ATOM ? C . HIS A A 119 119 ? 10.023 12.234 19.718 0.000 0.630 1 964 1
+ATOM ? O . HIS A A 119 119 ? 11.079 11.633 19.502 0.000 0.630 1 965 1
+ATOM ? N . VAL A A 120 120 ? 8.825 11.716 19.437 0.000 0.530 1 966 1
+ATOM ? CA . VAL A A 120 120 ? 8.647 10.355 18.896 0.000 0.530 1 967 1
+ATOM ? CB . VAL A A 120 120 ? 7.179 9.852 19.043 0.000 0.530 1 968 1
+ATOM ? CG1 . VAL A A 120 120 ? 6.759 9.873 20.492 0.000 0.530 1 969 1
+ATOM ? CG2 . VAL A A 120 120 ? 6.223 10.695 18.203 0.000 0.530 1 970 1
+ATOM ? C . VAL A A 120 120 ? 9.053 10.252 17.426 0.000 0.530 1 971 1
+ATOM ? O . VAL A A 120 120 ? 9.427 9.181 16.951 0.000 0.530 1 972 1
+ATOM ? N . GLY A A 121 121 ? 8.945 11.357 16.699 0.000 1.250 1 973 1
+ATOM ? CA . GLY A A 121 121 ? 9.334 11.352 15.301 0.000 1.250 1 974 1
+ATOM ? C . GLY A A 121 121 ? 10.844 11.278 15.105 0.000 1.250 1 975 1
+ATOM ? O . GLY A A 121 121 ? 11.320 11.010 13.997 0.000 1.250 1 976 1
+ATOM ? N . ALA A A 122 122 ? 11.592 11.549 16.176 0.000 0.250 1 977 1
+ATOM ? CA . ALA A A 122 122 ? 13.052 11.513 16.156 0.000 0.250 1 978 1
+ATOM ? CB . ALA A A 122 122 ? 13.606 12.296 17.339 0.000 0.250 1 979 1
+ATOM ? C . ALA A A 122 122 ? 13.570 10.075 16.181 0.000 0.250 1 980 1
+ATOM ? O . ALA A A 122 122 ? 14.717 9.807 15.810 0.000 0.250 1 981 1
+ATOM ? N . GLN A A 123 123 ? 12.733 9.160 16.663 0.000 0.710 1 982 1
+ATOM ? CA . GLN A A 123 123 ? 13.082 7.752 16.716 0.000 0.710 1 983 1
+ATOM ? CB . GLN A A 123 123 ? 12.124 7.009 17.647 0.000 0.710 1 984 1
+ATOM ? CG . GLN A A 123 123 ? 12.043 7.625 19.044 0.000 0.710 1 985 1
+ATOM ? CD . GLN A A 123 123 ? 11.013 6.949 19.947 0.000 0.710 1 986 1
+ATOM ? OE1 . GLN A A 123 123 ? 10.490 5.875 19.624 0.000 0.710 1 987 1
+ATOM ? NE2 . GLN A A 123 123 ? 10.720 7.575 21.088 0.000 0.710 1 988 1
+ATOM ? C . GLN A A 123 123 ? 12.935 7.286 15.268 0.000 0.710 1 989 1
+ATOM ? O . GLN A A 123 123 ? 11.884 7.474 14.644 0.000 0.710 1 990 1
+ATOM ? N . PRO A A 124 124 ? 13.994 6.695 14.707 0.000 0.320 1 991 1
+ATOM ? CA . PRO A A 124 124 ? 14.026 6.201 13.323 0.000 0.320 1 992 1
+ATOM ? CD . PRO A A 124 124 ? 15.230 6.336 15.425 0.000 0.320 1 993 1
+ATOM ? CB . PRO A A 124 124 ? 15.402 5.544 13.221 0.000 0.320 1 994 1
+ATOM ? CG . PRO A A 124 124 ? 15.712 5.133 14.651 0.000 0.320 1 995 1
+ATOM ? C . PRO A A 124 124 ? 12.911 5.261 12.867 0.000 0.320 1 996 1
+ATOM ? O . PRO A A 124 124 ? 12.574 5.221 11.684 0.000 0.320 1 997 1
+ATOM ? N . ALA A A 125 125 ? 12.356 4.486 13.784 0.000 0.300 1 998 1
+ATOM ? CA . ALA A A 125 125 ? 11.302 3.563 13.413 0.000 0.300 1 999 1
+ATOM ? CB . ALA A A 125 125 ? 11.371 2.319 14.264 0.000 0.300 1 1000 1
+ATOM ? C . ALA A A 125 125 ? 9.903 4.171 13.467 0.000 0.300 1 1001 1
+ATOM ? O . ALA A A 125 125 ? 9.022 3.738 12.727 0.000 0.300 1 1002 1
+ATOM ? N . VAL A A 126 126 ? 9.701 5.183 14.315 0.000 0.640 1 1003 1
+ATOM ? CA . VAL A A 126 126 ? 8.391 5.827 14.460 0.000 0.640 1 1004 1
+ATOM ? CB . VAL A A 126 126 ? 8.273 6.566 15.813 0.000 0.640 1 1005 1
+ATOM ? CG1 . VAL A A 126 126 ? 6.865 7.098 16.001 0.000 0.640 1 1006 1
+ATOM ? CG2 . VAL A A 126 126 ? 8.622 5.621 16.971 0.000 0.640 1 1007 1
+ATOM ? C . VAL A A 126 126 ? 8.074 6.779 13.298 0.000 0.640 1 1008 1
+ATOM ? O . VAL A A 126 126 ? 8.260 7.994 13.399 0.000 0.640 1 1009 1
+ATOM ? N . ARG A A 127 127 ? 7.535 6.211 12.225 0.000 1.360 1 1010 1
+ATOM ? CA . ARG A A 127 127 ? 7.186 6.933 10.996 0.000 1.360 1 1011 1
+ATOM ? CB . ARG A A 127 127 ? 7.174 5.948 9.815 0.000 1.360 1 1012 1
+ATOM ? CG . ARG A A 127 127 ? 8.502 5.263 9.649 0.000 1.360 1 1013 1
+ATOM ? CD . ARG A A 127 127 ? 8.446 3.922 8.951 0.000 1.360 1 1014 1
+ATOM ? NE . ARG A A 127 127 ? 9.715 3.219 9.152 0.000 1.360 1 1015 1
+ATOM ? CZ . ARG A A 127 127 ? 10.024 2.039 8.619 0.000 1.360 1 1016 1
+ATOM ? NH1 . ARG A A 127 127 ? 9.154 1.411 7.839 0.000 1.360 1 1017 1
+ATOM ? NH2 . ARG A A 127 127 ? 11.197 1.478 8.890 0.000 1.360 1 1018 1
+ATOM ? C . ARG A A 127 127 ? 5.878 7.734 11.007 0.000 1.360 1 1019 1
+ATOM ? O . ARG A A 127 127 ? 5.641 8.556 10.092 0.000 1.360 1 1020 1
+ATOM ? N . ARG A A 128 128 ? 5.016 7.490 12.006 0.000 1.840 1 1021 1
+ATOM ? CA . ARG A A 128 128 ? 3.740 8.201 12.095 0.000 1.840 1 1022 1
+ATOM ? CB . ARG A A 128 128 ? 2.796 7.785 10.958 0.000 1.840 1 1023 1
+ATOM ? CG . ARG A A 128 128 ? 2.042 6.511 11.194 0.000 1.840 1 1024 1
+ATOM ? CD . ARG A A 128 128 ? 1.012 6.324 10.118 0.000 1.840 1 1025 1
+ATOM ? NE . ARG A A 128 128 ? 0.116 5.216 10.425 0.000 1.840 1 1026 1
+ATOM ? CZ . ARG A A 128 128 ? -0.302 4.328 9.530 0.000 1.840 1 1027 1
+ATOM ? NH1 . ARG A A 128 128 ? 0.101 4.403 8.267 0.000 1.840 1 1028 1
+ATOM ? NH2 . ARG A A 128 128 ? -1.160 3.385 9.887 0.000 1.840 1 1029 1
+ATOM ? C . ARG A A 128 128 ? 3.014 8.072 13.428 0.000 1.840 1 1030 1
+ATOM ? O . ARG A A 128 128 ? 3.241 7.126 14.171 0.000 1.840 1 1031 1
+ATOM ? N . ALA A A 129 129 ? 2.175 9.066 13.726 0.000 0.810 1 1032 1
+ATOM ? CA . ALA A A 129 129 ? 1.364 9.111 14.943 0.000 0.810 1 1033 1
+ATOM ? CB . ALA A A 129 129 ? 1.384 10.498 15.550 0.000 0.810 1 1034 1
+ATOM ? C . ALA A A 129 129 ? -0.066 8.701 14.617 0.000 0.810 1 1035 1
+ATOM ? O . ALA A A 129 129 ? -0.632 9.077 13.588 0.000 0.810 1 1036 1
+ATOM ? N . VAL A A 130 130 ? -0.670 7.965 15.527 0.000 0.310 1 1037 1
+ATOM ? CA . VAL A A 130 130 ? -2.012 7.466 15.324 0.000 0.310 1 1038 1
+ATOM ? CB . VAL A A 130 130 ? -1.936 5.983 14.921 0.000 0.310 1 1039 1
+ATOM ? CG1 . VAL A A 130 130 ? -3.292 5.379 14.912 0.000 0.310 1 1040 1
+ATOM ? CG2 . VAL A A 130 130 ? -1.321 5.853 13.541 0.000 0.310 1 1041 1
+ATOM ? C . VAL A A 130 130 ? -2.804 7.604 16.610 0.000 0.310 1 1042 1
+ATOM ? O . VAL A A 130 130 ? -2.243 7.456 17.706 0.000 0.310 1 1043 1
+ATOM ? N . LEU A A 131 131 ? -4.098 7.904 16.476 1.000 17.530 1 1044 1
+ATOM ? CA . LEU A A 131 131 ? -4.991 8.038 17.633 1.000 17.530 1 1045 1
+ATOM ? CB . LEU A A 131 131 ? -4.724 9.346 18.396 1.000 17.530 1 1046 1
+ATOM ? CG . LEU A A 131 131 ? -5.019 10.695 17.741 1.000 17.530 1 1047 1
+ATOM ? CD1 . LEU A A 131 131 ? -6.508 11.016 17.771 1.000 17.530 1 1048 1
+ATOM ? CD2 . LEU A A 131 131 ? -4.237 11.779 18.483 1.000 17.530 1 1049 1
+ATOM ? C . LEU A A 131 131 ? -6.471 7.922 17.282 1.000 17.530 1 1050 1
+ATOM ? O . LEU A A 131 131 ? -6.855 7.967 16.110 1.000 17.530 1 1051 1
+ATOM ? N . MET A A 132 132 ? -7.294 7.797 18.324 1.000 49.140 1 1052 1
+ATOM ? CA . MET A A 132 132 ? -8.751 7.682 18.218 1.000 49.140 1 1053 1
+ATOM ? CB . MET A A 132 132 ? -9.206 6.425 18.958 1.000 49.140 1 1054 1
+ATOM ? CG . MET A A 132 132 ? -10.258 5.614 18.266 1.000 49.140 1 1055 1
+ATOM ? SD . MET A A 132 132 ? -9.742 4.941 16.637 1.000 49.140 1 1056 1
+ATOM ? CE . MET A A 132 132 ? -11.312 4.800 15.898 1.000 49.140 1 1057 1
+ATOM ? C . MET A A 132 132 ? -9.311 8.903 18.941 1.000 49.140 1 1058 1
+ATOM ? O . MET A A 132 132 ? -8.783 9.314 19.975 1.000 49.140 1 1059 1
+ATOM ? N . CYS A A 133 133 ? -10.351 9.518 18.406 1.000 28.780 1 1060 1
+ATOM ? CA . CYS A A 133 133 ? -10.906 10.679 19.091 1.000 28.780 1 1061 1
+ATOM ? CB . CYS A A 133 133 ? -10.073 11.933 18.812 1.000 28.780 1 1062 1
+ATOM ? SG . CYS A A 133 133 ? -10.412 12.688 17.252 1.000 28.780 1 1063 1
+ATOM ? C . CYS A A 133 133 ? -12.359 10.952 18.758 1.000 28.780 1 1064 1
+ATOM ? O . CYS A A 133 133 ? -12.868 10.503 17.736 1.000 28.780 1 1065 1
+ATOM ? N . GLU A A 134 134 ? -13.025 11.667 19.661 1.000 21.770 1 1066 1
+ATOM ? CA . GLU A A 134 134 ? -14.424 12.039 19.484 1.000 21.770 1 1067 1
+ATOM ? CB . GLU A A 134 134 ? -14.963 12.730 20.741 1.000 21.770 1 1068 1
+ATOM ? CG . GLU A A 134 134 ? -14.438 12.186 22.049 1.000 21.770 1 1069 1
+ATOM ? CD . GLU A A 134 134 ? -13.310 13.019 22.632 1.000 21.770 1 1070 1
+ATOM ? OE1 . GLU A A 134 134 ? -13.629 14.081 23.220 1.000 21.770 1 1071 1
+ATOM ? OE2 . GLU A A 134 134 ? -12.126 12.604 22.519 1.000 21.770 1 1072 1
+ATOM ? C . GLU A A 134 134 ? -14.500 13.042 18.343 1.000 21.770 1 1073 1
+ATOM ? O . GLU A A 134 134 ? -13.673 13.952 18.247 1.000 21.770 1 1074 1
+ATOM ? N . ASP A A 135 135 ? -15.554 12.938 17.550 0.000 1.370 1 1075 1
+ATOM ? CA . ASP A A 135 135 ? -15.756 13.838 16.416 0.000 1.370 1 1076 1
+ATOM ? CB . ASP A A 135 135 ? -17.191 13.703 15.888 0.000 1.370 1 1077 1
+ATOM ? CG . ASP A A 135 135 ? -17.553 12.260 15.505 0.000 1.370 1 1078 1
+ATOM ? OD1 . ASP A A 135 135 ? -16.681 11.511 15.004 0.000 1.370 1 1079 1
+ATOM ? OD2 . ASP A A 135 135 ? -18.727 11.885 15.702 0.000 1.370 1 1080 1
+ATOM ? C . ASP A A 135 135 ? -15.461 15.298 16.768 0.000 1.370 1 1081 1
+ATOM ? O . ASP A A 135 135 ? -14.802 16.005 16.009 0.000 1.370 1 1082 1
+ATOM ? N . ALA A A 136 136 ? -15.846 15.701 17.975 1.000 0.720 1 1083 1
+ATOM ? CA . ALA A A 136 136 ? -15.665 17.069 18.448 1.000 0.720 1 1084 1
+ATOM ? CB . ALA A A 136 136 ? -16.248 17.217 19.867 1.000 0.720 1 1085 1
+ATOM ? C . ALA A A 136 136 ? -14.214 17.496 18.440 1.000 0.720 1 1086 1
+ATOM ? O . ALA A A 136 136 ? -13.900 18.647 18.153 1.000 0.720 1 1087 1
+ATOM ? N . LEU A A 137 137 ? -13.324 16.565 18.754 1.000 22.560 1 1088 1
+ATOM ? CA . LEU A A 137 137 ? -11.901 16.872 18.787 1.000 22.560 1 1089 1
+ATOM ? CB . LEU A A 137 137 ? -11.210 16.069 19.888 1.000 22.560 1 1090 1
+ATOM ? CG . LEU A A 137 137 ? -11.530 16.577 21.290 1.000 22.560 1 1091 1
+ATOM ? CD1 . LEU A A 137 137 ? -10.811 15.735 22.310 1.000 22.560 1 1092 1
+ATOM ? CD2 . LEU A A 137 137 ? -11.119 18.036 21.413 1.000 22.560 1 1093 1
+ATOM ? C . LEU A A 137 137 ? -11.156 16.706 17.474 1.000 22.560 1 1094 1
+ATOM ? O . LEU A A 137 137 ? -9.975 17.052 17.386 1.000 22.560 1 1095 1
+ATOM ? N . VAL A A 138 138 ? -11.832 16.202 16.442 0.000 2.040 1 1096 1
+ATOM ? CA . VAL A A 138 138 ? -11.182 16.012 15.149 0.000 2.040 1 1097 1
+ATOM ? CB . VAL A A 138 138 ? -12.153 15.435 14.095 0.000 2.040 1 1098 1
+ATOM ? CG1 . VAL A A 138 138 ? -11.562 15.534 12.693 0.000 2.040 1 1099 1
+ATOM ? CG2 . VAL A A 138 138 ? -12.456 13.980 14.419 0.000 2.040 1 1100 1
+ATOM ? C . VAL A A 138 138 ? -10.502 17.293 14.657 0.000 2.040 1 1101 1
+ATOM ? O . VAL A A 138 138 ? -9.292 17.293 14.469 0.000 2.040 1 1102 1
+ATOM ? N . PRO A A 139 139 ? -11.251 18.405 14.493 0.000 0.820 1 1103 1
+ATOM ? CA . PRO A A 139 139 ? -10.655 19.668 14.031 0.000 0.820 1 1104 1
+ATOM ? CD . PRO A A 139 139 ? -12.701 18.581 14.701 0.000 0.820 1 1105 1
+ATOM ? CB . PRO A A 139 139 ? -11.781 20.671 14.231 0.000 0.820 1 1106 1
+ATOM ? CG . PRO A A 139 139 ? -12.985 19.853 13.931 0.000 0.820 1 1107 1
+ATOM ? C . PRO A A 139 139 ? -9.434 20.064 14.856 0.000 0.820 1 1108 1
+ATOM ? O . PRO A A 139 139 ? -8.502 20.704 14.356 0.000 0.820 1 1109 1
+ATOM ? N . PHE A A 140 140 ? -9.447 19.692 16.130 1.000 11.590 1 1110 1
+ATOM ? CA . PHE A A 140 140 ? -8.347 20.005 17.017 1.000 11.590 1 1111 1
+ATOM ? CB . PHE A A 140 140 ? -8.688 19.650 18.460 1.000 11.590 1 1112 1
+ATOM ? CG . PHE A A 140 140 ? -7.507 19.700 19.378 1.000 11.590 1 1113 1
+ATOM ? CD1 . PHE A A 140 140 ? -6.915 20.919 19.693 1.000 11.590 1 1114 1
+ATOM ? CD2 . PHE A A 140 140 ? -6.937 18.528 19.874 1.000 11.590 1 1115 1
+ATOM ? CE1 . PHE A A 140 140 ? -5.770 20.971 20.483 1.000 11.590 1 1116 1
+ATOM ? CE2 . PHE A A 140 140 ? -5.793 18.570 20.663 1.000 11.590 1 1117 1
+ATOM ? CZ . PHE A A 140 140 ? -5.209 19.793 20.968 1.000 11.590 1 1118 1
+ATOM ? C . PHE A A 140 140 ? -7.091 19.263 16.565 1.000 11.590 1 1119 1
+ATOM ? O . PHE A A 140 140 ? -6.076 19.886 16.264 1.000 11.590 1 1120 1
+ATOM ? N . TYR A A 141 141 ? -7.171 17.943 16.468 1.000 27.800 1 1121 1
+ATOM ? CA . TYR A A 141 141 ? -6.030 17.138 16.062 1.000 27.800 1 1122 1
+ATOM ? CB . TYR A A 141 141 ? -6.344 15.656 16.236 1.000 27.800 1 1123 1
+ATOM ? CG . TYR A A 141 141 ? -6.450 15.280 17.695 1.000 27.800 1 1124 1
+ATOM ? CD1 . TYR A A 141 141 ? -5.329 15.296 18.519 1.000 27.800 1 1125 1
+ATOM ? CD2 . TYR A A 141 141 ? -7.683 14.944 18.262 1.000 27.800 1 1126 1
+ATOM ? CE1 . TYR A A 141 141 ? -5.430 14.989 19.879 1.000 27.800 1 1127 1
+ATOM ? CE2 . TYR A A 141 141 ? -7.799 14.641 19.613 1.000 27.800 1 1128 1
+ATOM ? CZ . TYR A A 141 141 ? -6.671 14.663 20.420 1.000 27.800 1 1129 1
+ATOM ? OH . TYR A A 141 141 ? -6.783 14.362 21.770 1.000 27.800 1 1130 1
+ATOM ? C . TYR A A 141 141 ? -5.529 17.434 14.660 1.000 27.800 1 1131 1
+ATOM ? O . TYR A A 141 141 ? -4.365 17.180 14.336 1.000 27.800 1 1132 1
+ATOM ? N . GLN A A 142 142 ? -6.388 18.008 13.830 0.000 1.230 1 1133 1
+ATOM ? CA . GLN A A 142 142 ? -5.990 18.351 12.477 0.000 1.230 1 1134 1
+ATOM ? CB . GLN A A 142 142 ? -7.217 18.700 11.632 0.000 1.230 1 1135 1
+ATOM ? CG . GLN A A 142 142 ? -8.075 17.493 11.222 0.000 1.230 1 1136 1
+ATOM ? CD . GLN A A 142 142 ? -9.280 17.890 10.403 0.000 1.230 1 1137 1
+ATOM ? OE1 . GLN A A 142 142 ? -10.231 18.462 10.926 0.000 1.230 1 1138 1
+ATOM ? NE2 . GLN A A 142 142 ? -9.242 17.610 9.107 0.000 1.230 1 1139 1
+ATOM ? C . GLN A A 142 142 ? -4.995 19.505 12.492 0.000 1.230 1 1140 1
+ATOM ? O . GLN A A 142 142 ? -4.188 19.646 11.576 0.000 1.230 1 1141 1
+ATOM ? N . ARG A A 143 143 ? -5.035 20.324 13.538 1.000 2.250 1 1142 1
+ATOM ? CA . ARG A A 143 143 ? -4.123 21.465 13.671 1.000 2.250 1 1143 1
+ATOM ? CB . ARG A A 143 143 ? -4.425 22.240 14.959 1.000 2.250 1 1144 1
+ATOM ? CG . ARG A A 143 143 ? -5.671 23.098 14.959 1.000 2.250 1 1145 1
+ATOM ? CD . ARG A A 143 143 ? -5.796 23.814 16.297 1.000 2.250 1 1146 1
+ATOM ? NE . ARG A A 143 143 ? -4.654 24.692 16.599 1.000 2.250 1 1147 1
+ATOM ? CZ . ARG A A 143 143 ? -3.981 24.696 17.751 1.000 2.250 1 1148 1
+ATOM ? NH1 . ARG A A 143 143 ? -4.308 23.870 18.736 1.000 2.250 1 1149 1
+ATOM ? NH2 . ARG A A 143 143 ? -2.987 25.547 17.928 1.000 2.250 1 1150 1
+ATOM ? C . ARG A A 143 143 ? -2.649 21.039 13.737 1.000 2.250 1 1151 1
+ATOM ? O . ARG A A 143 143 ? -1.746 21.821 13.400 1.000 2.250 1 1152 1
+ATOM ? N . PHE A A 144 144 ? -2.424 19.798 14.168 0.000 5.080 1 1153 1
+ATOM ? CA . PHE A A 144 144 ? -1.090 19.253 14.349 0.000 5.080 1 1154 1
+ATOM ? CB . PHE A A 144 144 ? -1.017 18.582 15.714 0.000 5.080 1 1155 1
+ATOM ? CG . PHE A A 144 144 ? -1.553 19.429 16.814 0.000 5.080 1 1156 1
+ATOM ? CD1 . PHE A A 144 144 ? -2.935 19.544 17.005 0.000 5.080 1 1157 1
+ATOM ? CD2 . PHE A A 144 144 ? -0.692 20.133 17.650 0.000 5.080 1 1158 1
+ATOM ? CE1 . PHE A A 144 144 ? -3.452 20.353 18.017 0.000 5.080 1 1159 1
+ATOM ? CE2 . PHE A A 144 144 ? -1.190 20.944 18.667 0.000 5.080 1 1160 1
+ATOM ? CZ . PHE A A 144 144 ? -2.583 21.055 18.852 0.000 5.080 1 1161 1
+ATOM ? C . PHE A A 144 144 ? -0.618 18.291 13.283 0.000 5.080 1 1162 1
+ATOM ? O . PHE A A 144 144 ? 0.395 17.630 13.449 0.000 5.080 1 1163 1
+ATOM ? N . GLY A A 145 145 ? -1.360 18.191 12.189 0.000 11.060 1 1164 1
+ATOM ? CA . GLY A A 145 145 ? -0.955 17.299 11.125 0.000 11.060 1 1165 1
+ATOM ? C . GLY A A 145 145 ? -1.801 16.058 10.976 0.000 11.060 1 1166 1
+ATOM ? O . GLY A A 145 145 ? -1.617 15.327 10.008 0.000 11.060 1 1167 1
+ATOM ? N . PHE A A 146 146 ? -2.713 15.799 11.904 0.000 15.890 1 1168 1
+ATOM ? CA . PHE A A 146 146 ? -3.566 14.614 11.794 0.000 15.890 1 1169 1
+ATOM ? CB . PHE A A 146 146 ? -4.225 14.293 13.129 0.000 15.890 1 1170 1
+ATOM ? CG . PHE A A 146 146 ? -3.274 13.771 14.175 0.000 15.890 1 1171 1
+ATOM ? CD1 . PHE A A 146 146 ? -2.620 14.652 15.039 0.000 15.890 1 1172 1
+ATOM ? CD2 . PHE A A 146 146 ? -3.059 12.402 14.324 0.000 15.890 1 1173 1
+ATOM ? CE1 . PHE A A 146 146 ? -1.779 14.171 16.027 0.000 15.890 1 1174 1
+ATOM ? CE2 . PHE A A 146 146 ? -2.222 11.917 15.308 0.000 15.890 1 1175 1
+ATOM ? CZ . PHE A A 146 146 ? -1.583 12.802 16.160 0.000 15.890 1 1176 1
+ATOM ? C . PHE A A 146 146 ? -4.641 14.742 10.726 0.000 15.890 1 1177 1
+ATOM ? O . PHE A A 146 146 ? -5.107 15.838 10.417 0.000 15.890 1 1178 1
+ATOM ? N . HIS A A 147 147 ? -5.021 13.602 10.161 0.000 0.860 1 1179 1
+ATOM ? CA . HIS A A 147 147 ? -6.050 13.496 9.130 0.000 0.860 1 1180 1
+ATOM ? ND1 . HIS A A 147 147 ? -3.770 14.266 6.179 0.000 0.860 1 1181 1
+ATOM ? CG . HIS A A 147 147 ? -4.737 14.390 7.154 0.000 0.860 1 1182 1
+ATOM ? CB . HIS A A 147 147 ? -5.410 13.211 7.773 0.000 0.860 1 1183 1
+ATOM ? NE2 . HIS A A 147 147 ? -4.049 16.369 6.498 0.000 0.860 1 1184 1
+ATOM ? CD2 . HIS A A 147 147 ? -4.907 15.720 7.353 0.000 0.860 1 1185 1
+ATOM ? CE1 . HIS A A 147 147 ? -3.372 15.469 5.801 0.000 0.860 1 1186 1
+ATOM ? C . HIS A A 147 147 ? -6.936 12.303 9.471 0.000 0.860 1 1187 1
+ATOM ? O . HIS A A 147 147 ? -6.446 11.277 9.936 0.000 0.860 1 1188 1
+ATOM ? N . PRO A A 148 148 ? -8.256 12.418 9.250 0.000 0.160 1 1189 1
+ATOM ? CA . PRO A A 148 148 ? -9.152 11.296 9.552 0.000 0.160 1 1190 1
+ATOM ? CD . PRO A A 148 148 ? -9.014 13.581 8.757 0.000 0.160 1 1191 1
+ATOM ? CB . PRO A A 148 148 ? -10.542 11.903 9.336 0.000 0.160 1 1192 1
+ATOM ? CG . PRO A A 148 148 ? -10.304 12.950 8.288 0.000 0.160 1 1193 1
+ATOM ? C . PRO A A 148 148 ? -8.864 10.151 8.586 0.000 0.160 1 1194 1
+ATOM ? O . PRO A A 148 148 ? -9.009 10.307 7.372 0.000 0.160 1 1195 1
+ATOM ? N . ALA A A 149 149 ? -8.384 9.028 9.115 0.000 0.470 1 1196 1
+ATOM ? CA . ALA A A 149 149 ? -8.062 7.868 8.287 0.000 0.470 1 1197 1
+ATOM ? CB . ALA A A 149 149 ? -7.256 6.851 9.081 0.000 0.470 1 1198 1
+ATOM ? C . ALA A A 149 149 ? -9.320 7.216 7.725 0.000 0.470 1 1199 1
+ATOM ? O . ALA A A 149 149 ? -9.332 6.757 6.577 0.000 0.470 1 1200 1
+ATOM ? N . GLY A A 150 150 ? -10.372 7.169 8.538 0.000 5.480 1 1201 1
+ATOM ? CA . GLY A A 150 150 ? -11.609 6.560 8.095 0.000 5.480 1 1202 1
+ATOM ? C . GLY A A 150 150 ? -12.430 5.889 9.184 0.000 5.480 1 1203 1
+ATOM ? O . GLY A A 150 150 ? -12.617 6.464 10.268 0.000 5.480 1 1204 1
+ATOM ? N . PRO A A 151 151 ? -12.879 4.639 8.937 0.000 2.760 1 1205 1
+ATOM ? CA . PRO A A 151 151 ? -13.697 3.773 9.801 0.000 2.760 1 1206 1
+ATOM ? CD . PRO A A 151 151 ? -12.371 3.868 7.785 0.000 2.760 1 1207 1
+ATOM ? CB . PRO A A 151 151 ? -13.744 2.456 9.013 0.000 2.760 1 1208 1
+ATOM ? CG . PRO A A 151 151 ? -12.440 2.444 8.288 0.000 2.760 1 1209 1
+ATOM ? C . PRO A A 151 151 ? -13.224 3.566 11.247 0.000 2.760 1 1210 1
+ATOM ? O . PRO A A 151 151 ? -13.547 4.368 12.126 0.000 2.760 1 1211 1
+ATOM ? N . CYS A A 152 152 ? -12.498 2.472 11.484 0.000 5.940 1 1212 1
+ATOM ? CA . CYS A A 152 152 ? -11.986 2.125 12.809 0.000 5.940 1 1213 1
+ATOM ? CB . CYS A A 152 152 ? -10.911 3.089 13.227 0.000 5.940 1 1214 1
+ATOM ? SG . CYS A A 152 152 ? -10.201 2.738 14.882 0.000 5.940 1 1215 1
+ATOM ? C . CYS A A 152 152 ? -13.102 2.084 13.847 0.000 5.940 1 1216 1
+ATOM ? O . CYS A A 152 152 ? -13.344 3.055 14.568 0.000 5.940 1 1217 1
+ATOM ? N . ALA A A 153 153 ? -13.771 0.938 13.928 0.000 4.030 1 1218 1
+ATOM ? CA . ALA A A 153 153 ? -14.874 0.766 14.859 0.000 4.030 1 1219 1
+ATOM ? CB . ALA A A 153 153 ? -15.814 -0.342 14.366 0.000 4.030 1 1220 1
+ATOM ? C . ALA A A 153 153 ? -14.462 0.523 16.313 0.000 4.030 1 1221 1
+ATOM ? O . ALA A A 153 153 ? -14.803 -0.510 16.893 0.000 4.030 1 1222 1
+ATOM ? N . ILE A A 154 154 ? -13.670 1.428 16.882 0.000 11.220 1 1223 1
+ATOM ? CA . ILE A A 154 154 ? -13.285 1.301 18.287 0.000 11.220 1 1224 1
+ATOM ? CB . ILE A A 154 154 ? -11.898 1.937 18.606 0.000 11.220 1 1225 1
+ATOM ? CG2 . ILE A A 154 154 ? -11.850 2.481 20.044 0.000 11.220 1 1226 1
+ATOM ? CG1 . ILE A A 154 154 ? -10.793 0.896 18.439 0.000 11.220 1 1227 1
+ATOM ? CD1 . ILE A A 154 154 ? -9.444 1.350 18.979 0.000 11.220 1 1228 1
+ATOM ? C . ILE A A 154 154 ? -14.382 2.028 19.056 0.000 11.220 1 1229 1
+ATOM ? O . ILE A A 154 154 ? -14.895 3.053 18.592 0.000 11.220 1 1230 1
+ATOM ? N . VAL A A 155 155 ? -14.760 1.487 20.205 0.000 8.890 1 1231 1
+ATOM ? CA . VAL A A 155 155 ? -15.806 2.088 21.013 0.000 8.890 1 1232 1
+ATOM ? CB . VAL A A 155 155 ? -17.175 1.365 20.808 0.000 8.890 1 1233 1
+ATOM ? CG1 . VAL A A 155 155 ? -17.800 1.778 19.485 0.000 8.890 1 1234 1
+ATOM ? CG2 . VAL A A 155 155 ? -16.992 -0.155 20.850 0.000 8.890 1 1235 1
+ATOM ? C . VAL A A 155 155 ? -15.467 2.135 22.500 0.000 8.890 1 1236 1
+ATOM ? O . VAL A A 155 155 ? -15.520 1.115 23.197 0.000 8.890 1 1237 1
+ATOM ? N . VAL A A 156 156 ? -15.056 3.308 22.973 1.000 21.200 1 1238 1
+ATOM ? CA . VAL A A 156 156 ? -14.757 3.475 24.389 1.000 21.200 1 1239 1
+ATOM ? CB . VAL A A 156 156 ? -13.721 4.594 24.641 1.000 21.200 1 1240 1
+ATOM ? CG1 . VAL A A 156 156 ? -13.420 4.721 26.135 1.000 21.200 1 1241 1
+ATOM ? CG2 . VAL A A 156 156 ? -12.446 4.300 23.869 1.000 21.200 1 1242 1
+ATOM ? C . VAL A A 156 156 ? -16.106 3.847 25.000 1.000 21.200 1 1243 1
+ATOM ? O . VAL A A 156 156 ? -16.611 4.953 24.792 1.000 21.200 1 1244 1
+ATOM ? N . GLY A A 157 157 ? -16.709 2.885 25.693 0.000 13.800 1 1245 1
+ATOM ? CA . GLY A A 157 157 ? -18.012 3.092 26.295 0.000 13.800 1 1246 1
+ATOM ? C . GLY A A 157 157 ? -19.010 2.611 25.265 0.000 13.800 1 1247 1
+ATOM ? O . GLY A A 157 157 ? -19.162 1.410 25.053 0.000 13.800 1 1248 1
+ATOM ? N . SER A A 158 158 ? -19.616 3.556 24.566 0.000 6.820 1 1249 1
+ATOM ? CA . SER A A 158 158 ? -20.587 3.253 23.520 0.000 6.820 1 1250 1
+ATOM ? CB . SER A A 158 158 ? -21.991 3.513 24.052 0.000 6.820 1 1251 1
+ATOM ? OG . SER A A 158 158 ? -22.041 4.799 24.650 0.000 6.820 1 1252 1
+ATOM ? C . SER A A 158 158 ? -20.320 4.191 22.351 0.000 6.820 1 1253 1
+ATOM ? O . SER A A 158 158 ? -20.909 4.058 21.281 0.000 6.820 1 1254 1
+ATOM ? N . LEU A A 159 159 ? -19.420 5.143 22.583 1.000 4.170 1 1255 1
+ATOM ? CA . LEU A A 159 159 ? -19.041 6.161 21.613 1.000 4.170 1 1256 1
+ATOM ? CB . LEU A A 159 159 ? -18.244 7.236 22.351 1.000 4.170 1 1257 1
+ATOM ? CG . LEU A A 159 159 ? -18.671 8.692 22.186 1.000 4.170 1 1258 1
+ATOM ? CD1 . LEU A A 159 159 ? -20.172 8.843 22.305 1.000 4.170 1 1259 1
+ATOM ? CD2 . LEU A A 159 159 ? -17.979 9.524 23.248 1.000 4.170 1 1260 1
+ATOM ? C . LEU A A 159 159 ? -18.242 5.638 20.410 1.000 4.170 1 1261 1
+ATOM ? O . LEU A A 159 159 ? -17.401 4.752 20.558 1.000 4.170 1 1262 1
+ATOM ? N . THR A A 160 160 ? -18.551 6.149 19.219 0.000 3.700 1 1263 1
+ATOM ? CA . THR A A 160 160 ? -17.845 5.765 18.001 0.000 3.700 1 1264 1
+ATOM ? CB . THR A A 160 160 ? -18.794 5.664 16.791 0.000 3.700 1 1265 1
+ATOM ? OG1 . THR A A 160 160 ? -19.720 4.593 17.000 0.000 3.700 1 1266 1
+ATOM ? CG2 . THR A A 160 160 ? -18.003 5.399 15.498 0.000 3.700 1 1267 1
+ATOM ? C . THR A A 160 160 ? -16.826 6.859 17.722 0.000 3.700 1 1268 1
+ATOM ? O . THR A A 160 160 ? -17.198 8.008 17.457 0.000 3.700 1 1269 1
+ATOM ? N . PHE A A 161 161 ? -15.544 6.513 17.807 1.000 34.610 1 1270 1
+ATOM ? CA . PHE A A 161 161 ? -14.476 7.478 17.573 1.000 34.610 1 1271 1
+ATOM ? CB . PHE A A 161 161 ? -13.313 7.210 18.517 1.000 34.610 1 1272 1
+ATOM ? CG . PHE A A 161 161 ? -13.641 7.436 19.940 1.000 34.610 1 1273 1
+ATOM ? CD1 . PHE A A 161 161 ? -13.898 8.709 20.405 1.000 34.610 1 1274 1
+ATOM ? CD2 . PHE A A 161 161 ? -13.705 6.374 20.815 1.000 34.610 1 1275 1
+ATOM ? CE1 . PHE A A 161 161 ? -14.216 8.935 21.731 1.000 34.610 1 1276 1
+ATOM ? CE2 . PHE A A 161 161 ? -14.020 6.585 22.138 1.000 34.610 1 1277 1
+ATOM ? CZ . PHE A A 161 161 ? -14.276 7.880 22.600 1.000 34.610 1 1278 1
+ATOM ? C . PHE A A 161 161 ? -13.948 7.486 16.154 1.000 34.610 1 1279 1
+ATOM ? O . PHE A A 161 161 ? -14.021 6.482 15.460 1.000 34.610 1 1280 1
+ATOM ? N . THR A A 162 162 ? -13.402 8.630 15.746 0.000 5.820 1 1281 1
+ATOM ? CA . THR A A 162 162 ? -12.800 8.808 14.429 0.000 5.820 1 1282 1
+ATOM ? CB . THR A A 162 162 ? -12.981 10.251 13.909 0.000 5.820 1 1283 1
+ATOM ? OG1 . THR A A 162 162 ? -14.366 10.503 13.654 0.000 5.820 1 1284 1
+ATOM ? CG2 . THR A A 162 162 ? -12.193 10.468 12.629 0.000 5.820 1 1285 1
+ATOM ? C . THR A A 162 162 ? -11.309 8.538 14.582 0.000 5.820 1 1286 1
+ATOM ? O . THR A A 162 162 ? -10.671 9.010 15.531 0.000 5.820 1 1287 1
+ATOM ? N . GLU A A 163 163 ? -10.787 7.695 13.695 0.000 8.950 1 1288 1
+ATOM ? CA . GLU A A 163 163 ? -9.370 7.356 13.675 0.000 8.950 1 1289 1
+ATOM ? CB . GLU A A 163 163 ? -9.170 6.005 12.999 0.000 8.950 1 1290 1
+ATOM ? CG . GLU A A 163 163 ? -7.779 5.425 13.181 0.000 8.950 1 1291 1
+ATOM ? CD . GLU A A 163 163 ? -7.565 4.153 12.387 0.000 8.950 1 1292 1
+ATOM ? OE1 . GLU A A 163 163 ? -8.466 3.750 11.619 0.000 8.950 1 1293 1
+ATOM ? OE2 . GLU A A 163 163 ? -6.473 3.564 12.514 0.000 8.950 1 1294 1
+ATOM ? C . GLU A A 163 163 ? -8.558 8.434 12.935 0.000 8.950 1 1295 1
+ATOM ? O . GLU A A 163 163 ? -8.838 8.768 11.772 0.000 8.950 1 1296 1
+ATOM ? N . MET A A 164 164 ? -7.526 8.937 13.607 0.000 3.150 1 1297 1
+ATOM ? CA . MET A A 164 164 ? -6.653 9.981 13.076 0.000 3.150 1 1298 1
+ATOM ? CB . MET A A 164 164 ? -6.629 11.171 14.048 0.000 3.150 1 1299 1
+ATOM ? CG . MET A A 164 164 ? -7.991 11.807 14.344 0.000 3.150 1 1300 1
+ATOM ? SD . MET A A 164 164 ? -8.760 12.606 12.956 0.000 3.150 1 1301 1
+ATOM ? CE . MET A A 164 164 ? -8.329 14.300 13.191 0.000 3.150 1 1302 1
+ATOM ? C . MET A A 164 164 ? -5.217 9.480 12.843 0.000 3.150 1 1303 1
+ATOM ? O . MET A A 164 164 ? -4.668 8.732 13.662 0.000 3.150 1 1304 1
+ATOM ? N . HIS A A 165 165 ? -4.602 9.911 11.744 0.000 6.290 1 1305 1
+ATOM ? CA . HIS A A 165 165 ? -3.233 9.520 11.403 0.000 6.290 1 1306 1
+ATOM ? ND1 . HIS A A 165 165 ? -3.816 6.392 9.250 0.000 6.290 1 1307 1
+ATOM ? CG . HIS A A 165 165 ? -3.778 7.303 10.282 0.000 6.290 1 1308 1
+ATOM ? CB . HIS A A 165 165 ? -3.187 8.669 10.133 0.000 6.290 1 1309 1
+ATOM ? NE2 . HIS A A 165 165 ? -4.672 5.416 10.945 0.000 6.290 1 1310 1
+ATOM ? CD2 . HIS A A 165 165 ? -4.327 6.677 11.349 0.000 6.290 1 1311 1
+ATOM ? CE1 . HIS A A 165 165 ? -4.353 5.267 9.673 0.000 6.290 1 1312 1
+ATOM ? C . HIS A A 165 165 ? -2.411 10.768 11.142 0.000 6.290 1 1313 1
+ATOM ? O . HIS A A 165 165 ? -2.918 11.767 10.634 0.000 6.290 1 1314 1
+ATOM ? N . CYS A A 166 166 ? -1.131 10.695 11.456 0.000 14.060 1 1315 1
+ATOM ? CA . CYS A A 166 166 ? -0.249 11.827 11.222 0.000 14.060 1 1316 1
+ATOM ? CB . CYS A A 166 166 ? -0.126 12.678 12.479 0.000 14.060 1 1317 1
+ATOM ? SG . CYS A A 166 166 ? 0.923 14.130 12.270 0.000 14.060 1 1318 1
+ATOM ? C . CYS A A 166 166 ? 1.129 11.338 10.806 0.000 14.060 1 1319 1
+ATOM ? O . CYS A A 166 166 ? 1.837 10.728 11.608 0.000 14.060 1 1320 1
+ATOM ? N . SER A A 167 167 ? 1.487 11.528 9.540 0.000 21.420 1 1321 1
+ATOM ? CA . SER A A 167 167 ? 2.812 11.130 9.082 0.000 21.420 1 1322 1
+ATOM ? CB . SER A A 167 167 ? 2.920 11.240 7.560 0.000 21.420 1 1323 1
+ATOM ? OG . SER A A 167 167 ? 2.141 10.236 6.938 0.000 21.420 1 1324 1
+ATOM ? C . SER A A 167 167 ? 3.848 12.035 9.748 0.000 21.420 1 1325 1
+ATOM ? O . SER A A 167 167 ? 3.675 13.258 9.808 0.000 21.420 1 1326 1
+ATOM ? N . LEU A A 168 168 ? 4.887 11.420 10.307 0.000 19.920 1 1327 1
+ATOM ? CA . LEU A A 168 168 ? 5.950 12.164 10.971 0.000 19.920 1 1328 1
+ATOM ? CB . LEU A A 168 168 ? 6.430 11.406 12.204 0.000 19.920 1 1329 1
+ATOM ? CG . LEU A A 168 168 ? 5.339 11.084 13.231 0.000 19.920 1 1330 1
+ATOM ? CD1 . LEU A A 168 168 ? 5.916 10.319 14.416 0.000 19.920 1 1331 1
+ATOM ? CD2 . LEU A A 168 168 ? 4.700 12.369 13.703 0.000 19.920 1 1332 1
+ATOM ? C . LEU A A 168 168 ? 7.108 12.400 10.001 0.000 19.920 1 1333 1
+ATOM ? O . LEU A A 168 168 ? 8.015 13.187 10.289 0.000 19.920 1 1334 1
+ATOM ? N . ARG A A 169 169 ? 7.037 11.749 8.838 0.000 14.380 1 1335 1
+ATOM ? CA . ARG A A 169 169 ? 8.049 11.849 7.784 0.000 14.380 1 1336 1
+ATOM ? CB . ARG A A 169 169 ? 8.345 10.449 7.237 0.000 14.380 1 1337 1
+ATOM ? CG . ARG A A 169 169 ? 8.726 9.397 8.277 0.000 14.380 1 1338 1
+ATOM ? CD . ARG A A 169 169 ? 10.078 9.671 8.900 0.000 14.380 1 1339 1
+ATOM ? NE . ARG A A 169 169 ? 10.499 8.601 9.810 0.000 14.380 1 1340 1
+ATOM ? CZ . ARG A A 169 169 ? 10.725 8.777 11.109 0.000 14.380 1 1341 1
+ATOM ? NH1 . ARG A A 169 169 ? 10.561 9.973 11.652 0.000 14.380 1 1342 1
+ATOM ? NH2 . ARG A A 169 169 ? 11.172 7.774 11.856 0.000 14.380 1 1343 1
+ATOM ? C . ARG A A 169 169 ? 7.552 12.727 6.625 0.000 14.380 1 1344 1
+ATOM ? O . ARG A A 169 169 ? 6.618 12.349 5.915 0.000 14.380 1 1345 1
+ATOM ? N . GLY A A 170 170 ? 8.167 13.894 6.431 0.000 12.520 1 1346 1
+ATOM ? CA . GLY A A 170 170 ? 7.754 14.791 5.358 0.000 12.520 1 1347 1
+ATOM ? C . GLY A A 170 170 ? 8.888 15.591 4.732 0.000 12.520 1 1348 1
+ATOM ? O . GLY A A 170 170 ? 9.857 15.935 5.417 0.000 12.520 1 1349 1
+ATOM ? N . HIS A A 171 171 ? 8.773 15.882 3.436 0.000 5.970 1 1350 1
+ATOM ? CA . HIS A A 171 171 ? 9.796 16.647 2.707 0.000 5.970 1 1351 1
+ATOM ? ND1 . HIS A A 171 171 ? 9.191 14.363 -0.173 0.000 5.970 1 1352 1
+ATOM ? CG . HIS A A 171 171 ? 9.967 15.026 0.753 0.000 5.970 1 1353 1
+ATOM ? CB . HIS A A 171 171 ? 9.678 16.428 1.192 0.000 5.970 1 1354 1
+ATOM ? NE2 . HIS A A 171 171 ? 10.746 13.006 0.397 0.000 5.970 1 1355 1
+ATOM ? CD2 . HIS A A 171 171 ? 10.949 14.164 1.111 0.000 5.970 1 1356 1
+ATOM ? CE1 . HIS A A 171 171 ? 9.682 13.150 -0.370 0.000 5.970 1 1357 1
+ATOM ? C . HIS A A 171 171 ? 9.682 18.135 3.008 0.000 5.970 1 1358 1
+ATOM ? O . HIS A A 171 171 ? 8.867 18.853 2.412 0.000 5.970 1 1359 1
+ATOM ? N . ALA A A 172 172 ? 10.518 18.595 3.930 0.000 2.280 1 1360 1
+ATOM ? CA . ALA A A 172 172 ? 10.515 19.991 4.329 0.000 2.280 1 1361 1
+ATOM ? CB . ALA A A 172 172 ? 11.346 20.177 5.562 0.000 2.280 1 1362 1
+ATOM ? C . ALA A A 172 172 ? 11.002 20.924 3.237 0.000 2.280 1 1363 1
+ATOM ? O . ALA A A 172 172 ? 12.121 20.796 2.738 0.000 2.280 1 1364 1
+ATOM ? N . ALA A A 173 173 ? 10.157 21.884 2.891 0.000 1.660 1 1365 1
+ATOM ? CA . ALA A A 173 173 ? 10.490 22.871 1.873 0.000 1.660 1 1366 1
+ATOM ? CB . ALA A A 173 173 ? 9.904 22.450 0.519 0.000 1.660 1 1367 1
+ATOM ? C . ALA A A 173 173 ? 9.967 24.255 2.302 0.000 1.660 1 1368 1
+ATOM ? O . ALA A A 173 173 ? 10.531 25.293 1.935 0.000 1.660 1 1369 1
+ATOM ? N . LEU A A 174 174 ? 8.897 24.261 3.097 0.000 1.970 1 1370 1
+ATOM ? CA . LEU A A 174 174 ? 8.294 25.495 3.589 0.000 1.970 1 1371 1
+ATOM ? CB . LEU A A 174 174 ? 7.514 26.191 2.475 0.000 1.970 1 1372 1
+ATOM ? CG . LEU A A 174 174 ? 6.806 27.522 2.824 0.000 1.970 1 1373 1
+ATOM ? CD1 . LEU A A 174 174 ? 6.074 28.081 1.594 0.000 1.970 1 1374 1
+ATOM ? CD2 . LEU A A 174 174 ? 7.772 28.573 3.390 0.000 1.970 1 1375 1
+ATOM ? C . LEU A A 174 174 ? 7.365 25.152 4.747 0.000 1.970 1 1376 1
+ATOM ? O . LEU A A 174 174 ? 7.045 23.980 4.964 0.000 1.970 1 1377 1
+ATOM ? OXT . LEU A A 174 174 ? 6.747 26.095 5.309 0.000 1.970 1 1378 1
diff --git a/modules/atom/test/test_ligand_score.py b/modules/atom/test/test_ligand_score.py
index fa1cbe464b..7ea922cd14 100644
--- a/modules/atom/test/test_ligand_score.py
+++ b/modules/atom/test/test_ligand_score.py
@@ -8,8 +8,9 @@
 
 class Tests(IMP.test.ApplicationTestCase):
 
-    def get_inputs(self):
-        return [self.get_input_file_name('1d3d-protein.pdb'),
+    def get_inputs(self, cif=False):
+        ext = 'cif' if cif else 'pdb'
+        return [self.get_input_file_name('1d3d-protein.%s' % ext),
                 self.get_input_file_name('1d3d-ligands.mol2')]
 
     def test_rank_score(self):
@@ -19,6 +20,12 @@ def test_rank_score(self):
             p = self.run_application('ligand_score', inputs)
             self.check_output(p, 8.39, 6.54)
 
+    def test_rank_score_cif(self):
+        """Simple test of ligand score application with mmCIF input"""
+        inputs = self.get_inputs(cif=True)
+        p = self.run_application('ligand_score', inputs)
+        self.check_output(p, 8.39, 6.54)
+
     def test_pose_score(self):
         """Simple test of ligand score application with PoseScore"""
         for inputs in (['--pose'] + self.get_inputs(),
diff --git a/modules/atom/test/test_ligand_score_multiple.py b/modules/atom/test/test_ligand_score_multiple.py
index 765df50ab2..8cb30c46a7 100644
--- a/modules/atom/test/test_ligand_score_multiple.py
+++ b/modules/atom/test/test_ligand_score_multiple.py
@@ -6,8 +6,16 @@
 
 class Tests(IMP.test.ApplicationTestCase):
 
-    def test_score(self):
-        """Simple test of ligand_score_multiple application"""
+    def test_score_pdb(self):
+        """Simple test of ligand_score_multiple application, PDB input"""
+        self._run_score_test(cif=False)
+
+    def test_score_cif(self):
+        """Simple test of ligand_score_multiple application, mmCIF input"""
+        self._run_score_test(cif=True)
+
+    def _run_score_test(self, cif):
+        ext = 'cif' if cif else 'pdb'
         # Make transforms file from PatchDock output
         with open(self.get_input_file_name('ligscore_test.res')) as fh:
             data = fh.readlines()
@@ -16,7 +24,7 @@ def test_score(self):
                 d = d.strip().split('|')
                 fh.write(d[0]+' '+d[-1]+'\n')
         p = self.run_application('ligand_score_multiple',
-                      [self.get_input_file_name('ligscore_test.pdb'),
+                      [self.get_input_file_name('ligscore_test.%s' % ext),
                        self.get_input_file_name('2F2.mol2'), 'tr'])
         out, err = p.communicate()
         self.assertApplicationExitedCleanly(p.returncode, err)

From c441518dd053f0c6147b4fd3911ab727ed3e0645 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 9 Jul 2021 15:10:00 -0700
Subject: [PATCH 051/250] Add normal --help, --version options

---
 modules/atom/bin/ligand_score_multiple.cpp    | 28 +++++++++++++++----
 .../atom/test/test_ligand_score_multiple.py   | 15 ++++++++++
 2 files changed, 37 insertions(+), 6 deletions(-)

diff --git a/modules/atom/bin/ligand_score_multiple.cpp b/modules/atom/bin/ligand_score_multiple.cpp
index e585bc5eed..0d6a65e23b 100644
--- a/modules/atom/bin/ligand_score_multiple.cpp
+++ b/modules/atom/bin/ligand_score_multiple.cpp
@@ -54,22 +54,38 @@ int main(int argc, char *argv[]) {
   IMP::set_log_level(IMP::SILENT);
   std::string mol2name, pdbname, trans_file, out_file_name;
 
-  po::options_description desc("Usage: <pdb|mmcif> <mol2> [trans file]");
+  po::options_description desc("Usage: <pdb|mmcif> <mol2> [trans file]\n\n"
+          "static and transformed molecules from docking with "
+          "transformation file.\n\n"
+          "Inputs are PDB/mmCIF, mol2, and transformation files\n\n"
+          "Options");
   desc.add_options()
-    ("help", "static and transformed molecules from docking with \
-transformation file.")
-    ("input-files", po::value< std::vector<std::string> >(),
-     "input PDB/mmCIF, mol2, and transformation files")
+    ("help,h", "Show command line arguments and exit.")
+    ("version", "Show version info and exit.")
     ("output_file,o",
      po::value<std::string>(&out_file_name)->default_value("mol2_score.res"),
      "output file name, default name mol2_score.res");
 
+  po::options_description hidden("Hidden options");
+  hidden.add_options()
+    ("input-files", po::value<std::vector<std::string> >(),
+     "input files");
+
+  po::options_description allopt;
+  allopt.add(desc).add(hidden);
+
   po::positional_options_description p;
   p.add("input-files", -1);
   po::variables_map vm;
   po::store(
-      po::command_line_parser(argc,argv).options(desc).positional(p).run(), vm);
+      po::command_line_parser(argc,argv).options(allopt).positional(p).run(),
+      vm);
   po::notify(vm);
+  if (vm.count("version")) {
+    std::cerr << "Version: \"" << IMP::atom::get_module_version()
+              << "\"" << std::endl;
+    return 0;
+  }
 
   // parse filenames
   std::vector<std::string> files;
diff --git a/modules/atom/test/test_ligand_score_multiple.py b/modules/atom/test/test_ligand_score_multiple.py
index 8cb30c46a7..c75f5594e6 100644
--- a/modules/atom/test/test_ligand_score_multiple.py
+++ b/modules/atom/test/test_ligand_score_multiple.py
@@ -36,5 +36,20 @@ def _run_score_test(self, cif):
         os.unlink('tr')
         os.unlink('mol2_score.res')
 
+    def test_help(self):
+        """Test ligand_score_multiple --help"""
+        p = self.run_application('ligand_score_multiple', ['--help'])
+        out, err = p.communicate()
+        self.assertApplicationExitedCleanly(p.returncode, err)
+        self.assertIn('Usage: <pdb|mmcif> <mol2>', out)
+
+    def test_version(self):
+        """Test ligand_score_multiple --version"""
+        p = self.run_application('ligand_score_multiple', ['--version'])
+        out, err = p.communicate()
+        self.assertApplicationExitedCleanly(p.returncode, err)
+        self.assertIn('Version:', err)
+
+
 if __name__ == '__main__':
     IMP.test.main()

From fe2cd24876f4ee5d15c120023a50fb9598602bb7 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 9 Jul 2021 15:15:07 -0700
Subject: [PATCH 052/250] Don't repeat back the command line

The user doesn't need to be reminded of
what they just typed. Pipelines can just
echo the command line, if we want to track
it in a log file.
---
 modules/atom/bin/ligand_score_multiple.cpp | 6 ------
 modules/foxs/bin/foxs.cpp                  | 4 ----
 modules/saxs/bin/cluster_profiles.cpp      | 4 ----
 modules/saxs/bin/compute_chi.cpp           | 4 ----
 modules/saxs/bin/compute_rg.cpp            | 4 ----
 modules/saxs/bin/compute_vr.cpp            | 4 ----
 modules/saxs/bin/validate_profile.cpp      | 3 ---
 modules/saxs/bin/weight_profiles.cpp       | 4 ----
 8 files changed, 33 deletions(-)

diff --git a/modules/atom/bin/ligand_score_multiple.cpp b/modules/atom/bin/ligand_score_multiple.cpp
index 0d6a65e23b..2b8ab2a01e 100644
--- a/modules/atom/bin/ligand_score_multiple.cpp
+++ b/modules/atom/bin/ligand_score_multiple.cpp
@@ -45,12 +45,6 @@ void read_trans_file(const std::string file_name,
 }
 
 int main(int argc, char *argv[]) {
-  // print command
-  for(int i=0; i<argc; i++) {
-    std::cerr << argv[i] << " ";
-  }
-  std::cerr << std::endl;
-
   IMP::set_log_level(IMP::SILENT);
   std::string mol2name, pdbname, trans_file, out_file_name;
 
diff --git a/modules/foxs/bin/foxs.cpp b/modules/foxs/bin/foxs.cpp
index d9a5dcc79c..dec8867310 100644
--- a/modules/foxs/bin/foxs.cpp
+++ b/modules/foxs/bin/foxs.cpp
@@ -27,10 +27,6 @@ using namespace IMP::saxs;
 using namespace IMP::foxs::internal;
 
 int main(int argc, char** argv) {
-  // output arguments
-  for (int i = 0; i < argc; i++) std::cerr << argv[i] << " ";
-  std::cerr << std::endl;
-
   int profile_size = 500;
   float max_q = 0.0; // change after read
   float min_c1 = 0.99;
diff --git a/modules/saxs/bin/cluster_profiles.cpp b/modules/saxs/bin/cluster_profiles.cpp
index 9b8c5b30d6..d5cfa660bc 100644
--- a/modules/saxs/bin/cluster_profiles.cpp
+++ b/modules/saxs/bin/cluster_profiles.cpp
@@ -18,10 +18,6 @@
 namespace po = boost::program_options;
 
 int main(int argc, char **argv) {
-  // output arguments
-  for (int i = 0; i < argc; i++) std::cerr << argv[i] << " ";
-  std::cerr << std::endl;
-
   double threshold = 1.0;
   std::string reference_profile_file;
 
diff --git a/modules/saxs/bin/compute_chi.cpp b/modules/saxs/bin/compute_chi.cpp
index 2a4dd587ee..1ce948d4c1 100644
--- a/modules/saxs/bin/compute_chi.cpp
+++ b/modules/saxs/bin/compute_chi.cpp
@@ -14,10 +14,6 @@
 namespace po = boost::program_options;
 
 int main(int argc, char **argv) {
-  // output arguments
-  for (int i = 0; i < argc; i++) std::cerr << argv[i] << " ";
-  std::cerr << std::endl;
-
   bool use_offset = false;
 
   po::options_description desc(
diff --git a/modules/saxs/bin/compute_rg.cpp b/modules/saxs/bin/compute_rg.cpp
index d77332885e..bf905912ba 100644
--- a/modules/saxs/bin/compute_rg.cpp
+++ b/modules/saxs/bin/compute_rg.cpp
@@ -18,10 +18,6 @@ namespace po = boost::program_options;
 using namespace IMP::saxs;
 
 int main(int argc, char **argv) {
-  // output arguments
-  for (int i = 0; i < argc; i++) std::cerr << argv[i] << " ";
-  std::cerr << std::endl;
-
   double end_q_rg = 1.3;
   int multi_model_pdb = 1;
   po::options_description desc(
diff --git a/modules/saxs/bin/compute_vr.cpp b/modules/saxs/bin/compute_vr.cpp
index 567e797dbc..23a18dc4f6 100644
--- a/modules/saxs/bin/compute_vr.cpp
+++ b/modules/saxs/bin/compute_vr.cpp
@@ -16,10 +16,6 @@
 namespace po = boost::program_options;
 
 int main(int argc, char **argv) {
-  // output arguments
-  for (int i = 0; i < argc; i++) std::cerr << argv[i] << " ";
-  std::cerr << std::endl;
-
   bool use_offset = false;
 
   po::options_description desc(
diff --git a/modules/saxs/bin/validate_profile.cpp b/modules/saxs/bin/validate_profile.cpp
index 058b85da36..8c4afa7e9a 100644
--- a/modules/saxs/bin/validate_profile.cpp
+++ b/modules/saxs/bin/validate_profile.cpp
@@ -30,9 +30,6 @@ const char *basename(const char *path) {
 
 
 int main(int argc, char **argv) {
-  // output arguments
-  for (int i = 0; i < argc; i++) std::cerr << argv[i] << " ";
-  std::cerr << std::endl;
   double max_q = 0.0;
   po::options_description desc("Usage: <profile_file1> <profile_file2> ...");
   desc.add_options()("help",
diff --git a/modules/saxs/bin/weight_profiles.cpp b/modules/saxs/bin/weight_profiles.cpp
index a5d8ec2794..8091ffc9ff 100644
--- a/modules/saxs/bin/weight_profiles.cpp
+++ b/modules/saxs/bin/weight_profiles.cpp
@@ -14,10 +14,6 @@ namespace po = boost::program_options;
 
 int main(int argc, char **argv)
 {
-  // output arguments
-  for (int i = 0; i < argc; i++) std::cerr << argv[i] << " ";
-  std::cerr << std::endl;
-
   float percentage = 0.0;
   std::string out_file_name  = "weighted.dat";
 

From 10ef02a145b828025e7d8fe3d591757e46361f68 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 9 Jul 2021 15:36:30 -0700
Subject: [PATCH 053/250] Add standard --help and --version options

---
 modules/saxs/bin/cluster_profiles.cpp | 38 ++++++++++++++++++---------
 modules/saxs/bin/compute_chi.cpp      | 31 ++++++++++++++++------
 modules/saxs/bin/compute_rg.cpp       | 23 ++++++++++++----
 modules/saxs/bin/compute_vr.cpp       | 29 +++++++++++++++-----
 modules/saxs/bin/validate_profile.cpp | 32 ++++++++++++++++------
 modules/saxs/bin/weight_profiles.cpp  | 28 +++++++++++++++-----
 6 files changed, 136 insertions(+), 45 deletions(-)

diff --git a/modules/saxs/bin/cluster_profiles.cpp b/modules/saxs/bin/cluster_profiles.cpp
index d5cfa660bc..9343a5bda7 100644
--- a/modules/saxs/bin/cluster_profiles.cpp
+++ b/modules/saxs/bin/cluster_profiles.cpp
@@ -22,26 +22,40 @@ int main(int argc, char **argv) {
   std::string reference_profile_file;
 
   po::options_description desc(
-      "Usage: <mes_input_file>\n \
-Provide a text file with profile filenames:\n\
-exp_profile_file\nfit_file1\nfit_file2\n...\nfit_filen\n");
-  desc.add_options()("help",
-                     "Clusters input profiles that were previously fitted \
-to exp_profile. Please provide the exp_profile and at least two fit files.\n")(
-      "input-files", po::value<std::vector<std::string> >(),
-      "input profile-list file")(
-      "threshold,t", po::value<double>(&threshold)->default_value(1.0),
-      "chi value for profile similarity (default = 1.0)")(
-      "reference_profile,r", po::value<std::string>(&reference_profile_file),
+      "Usage: cluster_profiles <mes_input_file>\n\n"
+      "Clusters input profiles that were previously fitted to exp_profile\n\n"
+      "Provide a text file <mes_input_file> with the exp_profile and at\n"
+      "least two fit files:\n\n"
+      "exp_profile_file\nfit_file1\nfit_file2\n...\nfit_filen\n\n"
+      "Options");
+  desc.add_options()
+    ("help,h", "Show command line arguments and exit.")
+    ("version", "Show version info and exit.")
+    ("threshold,t", po::value<double>(&threshold)->default_value(1.0),
+      "chi value for profile similarity (default = 1.0)")
+    ("reference_profile,r", po::value<std::string>(&reference_profile_file),
       "get all profiles within the threshold from a given reference profile");
 
+  po::options_description hidden("Hidden options");
+  hidden.add_options()
+    ("input-files", po::value<std::vector<std::string> >(),
+     "input files");
+
+  po::options_description allopt;
+  allopt.add(desc).add(hidden);
+
   po::positional_options_description p;
   p.add("input-files", -1);
   po::variables_map vm;
   po::store(
-      po::command_line_parser(argc, argv).options(desc).positional(p).run(),
+      po::command_line_parser(argc, argv).options(allopt).positional(p).run(),
       vm);
   po::notify(vm);
+  if (vm.count("version")) {
+    std::cerr << "Version: \"" << IMP::saxs::get_module_version()
+              << "\"" << std::endl;
+    return 0;
+  }
 
   std::vector<std::string> files;
   if (vm.count("input-files")) {
diff --git a/modules/saxs/bin/compute_chi.cpp b/modules/saxs/bin/compute_chi.cpp
index 1ce948d4c1..6da1d8a29e 100644
--- a/modules/saxs/bin/compute_chi.cpp
+++ b/modules/saxs/bin/compute_chi.cpp
@@ -17,20 +17,35 @@ int main(int argc, char **argv) {
   bool use_offset = false;
 
   po::options_description desc(
-      "Usage: <experimental_profile> <profile_file1> <profile_file2> ...");
-  desc.add_options()("help",
-                     "Any number of input profiles is supported. \
-The chi value is computed relative to the first profile using its error column")(
-      "input-files", po::value<std::vector<std::string> >(),
-      "input profile files")("offset,o",
-                             "use offset in fitting (default = false)");
+      "Usage: compute_chi <experimental_profile> <profile_file1> <profile_file2> ...\n\n"
+      "Any number of input profiles is supported.\n"
+      "The chi value is computed relative to the first profile using its\n"
+      "error column\n\n"
+      "Options");
+  desc.add_options()
+    ("help,h", "Show command line arguments and exit.")
+    ("version", "Show version info and exit.")
+    ("offset,o", "use offset in fitting (default = false)");
+
+  po::options_description hidden("Hidden options");
+  hidden.add_options()
+    ("input-files", po::value<std::vector<std::string> >(), "input files");
+
+  po::options_description allopt;
+  allopt.add(desc).add(hidden);
+
   po::positional_options_description p;
   p.add("input-files", -1);
   po::variables_map vm;
   po::store(
-      po::command_line_parser(argc, argv).options(desc).positional(p).run(),
+      po::command_line_parser(argc, argv).options(allopt).positional(p).run(),
       vm);
   po::notify(vm);
+  if (vm.count("version")) {
+    std::cerr << "Version: \"" << IMP::saxs::get_module_version()
+              << "\"" << std::endl;
+    return 0;
+  }
 
   std::vector<std::string> files, dat_files;
   if (vm.count("input-files")) {
diff --git a/modules/saxs/bin/compute_rg.cpp b/modules/saxs/bin/compute_rg.cpp
index bf905912ba..3b779483ef 100644
--- a/modules/saxs/bin/compute_rg.cpp
+++ b/modules/saxs/bin/compute_rg.cpp
@@ -21,11 +21,12 @@ int main(int argc, char **argv) {
   double end_q_rg = 1.3;
   int multi_model_pdb = 1;
   po::options_description desc(
-      "Usage: <pdb_file1> <pdb_file2> ... <profile_file1> <profile_file2> ...");
+      "Usage: compute_rg <pdb_file1> <pdb_file2> ... <profile_file1> <profile_file2> ...\n\n"
+      "Any number of input PDBs and profiles is supported.\n\n"
+      "Options");
   desc.add_options()
-    ("help", "Any number of input PDBs and profiles is supported")
-    ("input-files", po::value<std::vector<std::string> >(),
-     "input PDB and profile files")
+    ("help,h", "Show command line arguments and exit.")
+    ("version", "Show version info and exit.")
     ("end_q_rg,q*rg", po::value<double>(&end_q_rg)->default_value(1.3),
      "end q*rg value for rg computation, q*rg<end_q_rg (default = 1.3), \
 use 0.8 for elongated proteins")
@@ -34,13 +35,25 @@ use 0.8 for elongated proteins")
 2 - read each MODEL into a separate structure, \
 3 - read all models into a single structure");
 
+  po::options_description hidden("Hidden options");
+  hidden.add_options()
+    ("input-files", po::value<std::vector<std::string> >(), "input files");
+
+  po::options_description allopt;
+  allopt.add(desc).add(hidden);
+
   po::positional_options_description p;
   p.add("input-files", -1);
   po::variables_map vm;
   po::store(
-      po::command_line_parser(argc, argv).options(desc).positional(p).run(),
+      po::command_line_parser(argc, argv).options(allopt).positional(p).run(),
       vm);
   po::notify(vm);
+  if (vm.count("version")) {
+    std::cerr << "Version: \"" << IMP::saxs::get_module_version()
+              << "\"" << std::endl;
+    return 0;
+  }
 
   std::vector<std::string> files, pdb_files, dat_files;
   if (vm.count("input-files")) {
diff --git a/modules/saxs/bin/compute_vr.cpp b/modules/saxs/bin/compute_vr.cpp
index 23a18dc4f6..46ce384bf2 100644
--- a/modules/saxs/bin/compute_vr.cpp
+++ b/modules/saxs/bin/compute_vr.cpp
@@ -19,18 +19,35 @@ int main(int argc, char **argv) {
   bool use_offset = false;
 
   po::options_description desc(
-      "Usage: <experimental_profile> <profile_file1> <profile_file2> ...");
+      "Usage: compute_vr <experimental_profile> <profile_file1> <profile_file2> ...\n\n"
+      "Any number of input profiles is supported.\n"
+      "The chi value is computed relative to the first profile using\n"
+      "its error column.\n\n"
+      "Options");
   desc.add_options()
-    ("help", "Any number of input profiles is supported. \
-The chi value is computed relative to the first profile using its error column")
-    ("input-files", po::value<std::vector<std::string> >(),
-     "input profile files")
+    ("help,h", "Show command line arguments and exit.")
+    ("version", "Show version info and exit.")
     ("offset,o", "use offset in fitting (default = false)");
+
+  po::options_description hidden("Hidden options");
+  hidden.add_options()
+    ("input-files", po::value<std::vector<std::string> >(), "input files");
+
+  po::options_description allopt;
+  allopt.add(desc).add(hidden);
+
   po::positional_options_description p;
   p.add("input-files", -1);
   po::variables_map vm;
-  po::store(po::command_line_parser(argc, argv).options(desc).positional(p).run(), vm);
+  po::store(
+       po::command_line_parser(argc, argv).options(allopt).positional(p).run(),
+       vm);
   po::notify(vm);
+  if (vm.count("version")) {
+    std::cerr << "Version: \"" << IMP::saxs::get_module_version()
+              << "\"" << std::endl;
+    return 0;
+  }
 
   std::vector<std::string> files, dat_files;
   if (vm.count("input-files")) {
diff --git a/modules/saxs/bin/validate_profile.cpp b/modules/saxs/bin/validate_profile.cpp
index 8c4afa7e9a..9ac5ee5210 100644
--- a/modules/saxs/bin/validate_profile.cpp
+++ b/modules/saxs/bin/validate_profile.cpp
@@ -31,20 +31,36 @@ const char *basename(const char *path) {
 
 int main(int argc, char **argv) {
   double max_q = 0.0;
-  po::options_description desc("Usage: <profile_file1> <profile_file2> ...");
-  desc.add_options()("help",
-                     "Any number of input profiles is supported. \
-Each profile is read and written back, with simulated error added if necessary")(
-      "max_q,q", po::value<double>(&max_q)->default_value(0.0),
-      "maximal q value")("input-files", po::value<std::vector<std::string> >(),
-                         "input PDB and profile files");
+  po::options_description desc("Usage: validate_profile <profile_file1> <profile_file2> ...\n\n"
+          "Any number of input profiles is supported.\n"
+          "Each profile is read and written back, with simulated error\n"
+          "added if necessary\n\n"
+          "Options");
+  desc.add_options()
+    ("help,h", "Show command line arguments and exit.")
+    ("version", "Show version info and exit.")
+    ("max_q,q", po::value<double>(&max_q)->default_value(0.0),
+      "maximal q value");
+
+  po::options_description hidden("Hidden options");
+  hidden.add_options()
+    ("input-files", po::value<std::vector<std::string> >(), "input files");
+
+  po::options_description allopt;
+  allopt.add(desc).add(hidden);
+
   po::positional_options_description p;
   p.add("input-files", -1);
   po::variables_map vm;
   po::store(
-      po::command_line_parser(argc, argv).options(desc).positional(p).run(),
+      po::command_line_parser(argc, argv).options(allopt).positional(p).run(),
       vm);
   po::notify(vm);
+  if (vm.count("version")) {
+    std::cerr << "Version: \"" << IMP::saxs::get_module_version()
+              << "\"" << std::endl;
+    return 0;
+  }
 
   std::vector<std::string> files, dat_files;
   if (vm.count("input-files")) {
diff --git a/modules/saxs/bin/weight_profiles.cpp b/modules/saxs/bin/weight_profiles.cpp
index 8091ffc9ff..e7cb582bc5 100644
--- a/modules/saxs/bin/weight_profiles.cpp
+++ b/modules/saxs/bin/weight_profiles.cpp
@@ -17,24 +17,40 @@ int main(int argc, char **argv)
   float percentage = 0.0;
   std::string out_file_name  = "weighted.dat";
 
-  po::options_description desc("Usage: <profile_file1> <w1> <profile_file2> <w2> ...");
+  po::options_description desc("Usage: weight_profiles <profile_file1> <w1> <profile_file2> <w2> ...\n\n"
+         "Any number of input profiles is supported.\n"
+         "Each profile is read and written back, with simulated error\n"
+         "added if necessary\n\n"
+         "Options");
   desc.add_options()
-    ("help", "Any number of input profiles is supported. \
-Each profile is read and written back, with simulated error added if necessary")
-    ("input-files", po::value< std::vector<std::string> >(),
-     "input PDB and profile files")
+    ("help,h", "Show command line arguments and exit.")
+    ("version", "Show version info and exit.")
     ("percentage,p", po::value<float>(&percentage)->default_value(0.00),
      "percentage of noise (default = 0.00 (0%))")
      ("output_file,o",
       po::value<std::string>(&out_file_name)->default_value("weighted.dat"),
       "output file name, default name weighted.dat")
     ;
+
+  po::options_description hidden("Hidden options");
+  hidden.add_options()
+    ("input-files", po::value<std::vector<std::string> >(), "input files");
+
+  po::options_description allopt;
+  allopt.add(desc).add(hidden);
+
   po::positional_options_description p;
   p.add("input-files", -1);
   po::variables_map vm;
   po::store(
-      po::command_line_parser(argc,argv).options(desc).positional(p).run(), vm);
+      po::command_line_parser(argc,argv).options(allopt).positional(p).run(),
+      vm);
   po::notify(vm);
+  if (vm.count("version")) {
+    std::cerr << "Version: \"" << IMP::saxs::get_module_version()
+              << "\"" << std::endl;
+    return 0;
+  }
 
   std::vector<std::string> arguments, dat_files;
   IMP::Vector<double> weights;

From a2a9c60f77eedc1e5b5b9cb66c6d78d6795ab101 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 9 Jul 2021 15:43:36 -0700
Subject: [PATCH 054/250] Fix read_pdb optional arguments

Make sure that the optional no_radii
argument to read_pdb_or_mmcif() is
passed to the same argument in read_pdb().
---
 modules/atom/include/mmcif.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/atom/include/mmcif.h b/modules/atom/include/mmcif.h
index e3787b1de8..1e04387579 100644
--- a/modules/atom/include/mmcif.h
+++ b/modules/atom/include/mmcif.h
@@ -46,7 +46,7 @@ Hierarchy read_pdb_or_mmcif(TextInput input, Model *model,
   if (filename.find(".cif") == filename.size() - 4) {
     return read_mmcif(input, model, selector, noradii);
   } else {
-    return read_pdb(input, model, selector, noradii);
+    return read_pdb(input, model, selector, true, noradii);
   }
 }
 

From 6455a4edb6aa0e57a64228bc02756e0b2af5fd4b Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Sat, 10 Jul 2021 16:20:54 -0700
Subject: [PATCH 055/250] Add missing inlines

---
 modules/atom/include/mmcif.h | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/modules/atom/include/mmcif.h b/modules/atom/include/mmcif.h
index 1e04387579..f53c7e26b8 100644
--- a/modules/atom/include/mmcif.h
+++ b/modules/atom/include/mmcif.h
@@ -36,7 +36,7 @@ IMPATOMEXPORT Hierarchy read_mmcif(TextInput input, Model *model,
     otherwise a PDB file is read.
     Note that TextInputs created from streams don't have a name and so
     will always be treated as PDB. */
-Hierarchy read_pdb_or_mmcif(TextInput input, Model *model,
+inline Hierarchy read_pdb_or_mmcif(TextInput input, Model *model,
                          PDBSelector *selector = get_default_pdb_selector()
 #ifndef IMP_DOXYGEN
                          , bool noradii = false
@@ -55,7 +55,7 @@ Hierarchy read_pdb_or_mmcif(TextInput input, Model *model,
     otherwise a PDB file is read.
     Note that TextInputs created from streams don't have a name and so
     will always be treated as PDB. */
-Hierarchies read_multimodel_pdb_or_mmcif(TextInput input, Model *model,
+inline Hierarchies read_multimodel_pdb_or_mmcif(TextInput input, Model *model,
                          PDBSelector *selector = get_default_pdb_selector()
 #ifndef IMP_DOXYGEN
                          , bool noradii = false

From b374ed08f0682de490abeb074efb4af291e442b9 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Sat, 10 Jul 2021 16:23:14 -0700
Subject: [PATCH 056/250] Fix broken links to FoXS web service

---
 modules/foxs/src/internal/JmolWriter.cpp        | 6 +++---
 modules/integrative_docking/doc/idock_progs.dox | 2 +-
 2 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/modules/foxs/src/internal/JmolWriter.cpp b/modules/foxs/src/internal/JmolWriter.cpp
index 16d8ba4385..436283362d 100644
--- a/modules/foxs/src/internal/JmolWriter.cpp
+++ b/modules/foxs/src/internal/JmolWriter.cpp
@@ -67,8 +67,8 @@ void JmolWriter::prepare_jmol_script(
   outstream << "<tr><th> PDB file </th> "
             << "<th> " << show_all_checkbox_str << "</th>"
             << "<th><center> &chi;<sup>2</sup> </th>"
-            << "<th><center><a href = \"https://modbase.compbio.ucsf.edu/foxs/help.html#c1c2\"> c<sub>1</sub> </a></th>"
-            << "<th><center><a href = \"https://modbase.compbio.ucsf.edu/foxs/help.html#c1c2\"> c<sub>2</sub> </a></th>"
+            << "<th><center><a href = \"https://modbase.compbio.ucsf.edu/foxs/help#c1c2\"> c<sub>1</sub> </a></th>"
+            << "<th><center><a href = \"https://modbase.compbio.ucsf.edu/foxs/help#c1c2\"> c<sub>2</sub> </a></th>"
             << "<th><center>R<sub>g</sub></th>"
             << "<th><center> # atoms </th> <th> fit file </th><th> png file </th></tr>\n";
   for (unsigned int i = 0; i < fps.size(); i++) {
@@ -95,7 +95,7 @@ void JmolWriter::prepare_jmol_script(
 
     outstream << "</center></td><td><center> ";
     if (fps[i].get_c2() >= MAX_C2_) {
-      outstream << "<a href = \"https://modbase.compbio.ucsf.edu/foxs/help.html#c1c2\"><font color=red>";
+      outstream << "<a href = \"https://modbase.compbio.ucsf.edu/foxs/help#c1c2\"><font color=red>";
       outstream << fps[i].get_c2();
       outstream << "!</font></a>";
     } else {
diff --git a/modules/integrative_docking/doc/idock_progs.dox b/modules/integrative_docking/doc/idock_progs.dox
index 8214f0de52..74ce8165ec 100644
--- a/modules/integrative_docking/doc/idock_progs.dox
+++ b/modules/integrative_docking/doc/idock_progs.dox
@@ -19,7 +19,7 @@ saxs_score program scores results of docking of two molecules against the SAXS p
 
   The first number is the transformation number followed by three rotational and three translational parameters.
 
-\<exp_profile_file\> - The SAXS profile of the complex. see http://modbase.compbio.ucsf.edu/foxs/help.html for format details.
+\<exp_profile_file\> - The SAXS profile of the complex. see https://modbase.compbio.ucsf.edu/foxs/help for format details.
 </pre>
 
 

From 666e7d2c4828d806557bb16d372df2e200e256dc Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 13 Jul 2021 14:39:41 -0700
Subject: [PATCH 057/250] Get latest sampcon

---
 modules/sampcon | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/sampcon b/modules/sampcon
index a1f0ddebc2..3f4140d695 160000
--- a/modules/sampcon
+++ b/modules/sampcon
@@ -1 +1 @@
-Subproject commit a1f0ddebc264ee7f5671ad2871bd0e8b99901826
+Subproject commit 3f4140d6950f4a55cbe0b264ec249257a4054397

From d102a87cba9f6d29b2dcc855a65c2a77e485183f Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 13 Jul 2021 15:15:31 -0700
Subject: [PATCH 058/250] Document all parameters for read_pdb()

---
 modules/atom/include/pdb.h | 11 +++++++++++
 1 file changed, 11 insertions(+)

diff --git a/modules/atom/include/pdb.h b/modules/atom/include/pdb.h
index 933a919bb0..62cea767e0 100644
--- a/modules/atom/include/pdb.h
+++ b/modules/atom/include/pdb.h
@@ -475,6 +475,17 @@ inline PDBSelector *get_default_pdb_selector() {
 }
 
 //! Read all the molecules in the first model of the PDB file.
+/** \param[in] input   The file or stream to read the model from.
+    \param[in] model   The IMP::Model object to read into.
+    \param[in] selector A PDBSelector object used to read only
+               part of the model (e.g. only a single chain).
+    \param[in] select_first_model When reading a multi-model file (with
+               multiple MODEL/ENDMDL records) read only the first model if
+               set true. If set false, combine all models into a single
+               hierarchy (see read_multimodel_pdb to read each model into
+               a separate hierarchy).
+    \return a molecular hierarchy corresponding to the PDB model
+  */
 IMPATOMEXPORT Hierarchy
     read_pdb(TextInput input, Model *model,
              PDBSelector *selector = get_default_pdb_selector(),

From c70ae22dc50f0126b787805a43f973a329d211ca Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 13 Jul 2021 16:08:25 -0700
Subject: [PATCH 059/250] Add option to include mmCIF model number

Add an option to read_mmcif() that behaves
like the select_first_model argument to read_pdb();
i.e. it reads all coordinates into a single
hierarchy, regardless of stated model number.
Extend the pdb_or_mmcif convenience functions to
also understand this option.
---
 modules/atom/include/mmcif.h    | 10 ++++++----
 modules/atom/src/mmcif.cpp      | 24 ++++++++++++++----------
 modules/atom/test/test_mmcif.py | 25 +++++++++++++++++++++++++
 modules/atom/test/test_pdb.py   | 16 ++++++++++++----
 4 files changed, 57 insertions(+), 18 deletions(-)

diff --git a/modules/atom/include/mmcif.h b/modules/atom/include/mmcif.h
index f53c7e26b8..6b54e3af68 100644
--- a/modules/atom/include/mmcif.h
+++ b/modules/atom/include/mmcif.h
@@ -25,7 +25,8 @@ IMPATOMEXPORT Hierarchies read_multimodel_mmcif(TextInput input, Model *model,
 
 //! Read all the molecules in the first model of the mmCIF file.
 IMPATOMEXPORT Hierarchy read_mmcif(TextInput input, Model *model,
-                         PDBSelector *selector = get_default_pdb_selector()
+                         PDBSelector *selector = get_default_pdb_selector(),
+                         bool select_first_model = true
 #ifndef IMP_DOXYGEN
                          , bool noradii = false
 #endif
@@ -37,16 +38,17 @@ IMPATOMEXPORT Hierarchy read_mmcif(TextInput input, Model *model,
     Note that TextInputs created from streams don't have a name and so
     will always be treated as PDB. */
 inline Hierarchy read_pdb_or_mmcif(TextInput input, Model *model,
-                         PDBSelector *selector = get_default_pdb_selector()
+                         PDBSelector *selector = get_default_pdb_selector(),
+                         bool select_first_model = true
 #ifndef IMP_DOXYGEN
                          , bool noradii = false
 #endif
                         ) {
   std::string filename = input.get_name();
   if (filename.find(".cif") == filename.size() - 4) {
-    return read_mmcif(input, model, selector, noradii);
+    return read_mmcif(input, model, selector, select_first_model, noradii);
   } else {
-    return read_pdb(input, model, selector, true, noradii);
+    return read_pdb(input, model, selector, select_first_model, noradii);
   }
 }
 
diff --git a/modules/atom/src/mmcif.cpp b/modules/atom/src/mmcif.cpp
index 6a7468a6cb..baeabeb486 100644
--- a/modules/atom/src/mmcif.cpp
+++ b/modules/atom/src/mmcif.cpp
@@ -75,7 +75,7 @@ class AtomSiteCategory : public Category {
   std::string name_, filename_;
   Model *model_;
   IMP::PointerMember<PDBSelector> selector_;
-  bool select_first_model_;
+  bool read_all_models_, honor_model_num_;
   Keyword atom_name_, residue_name_, chain_, auth_chain_, element_, seq_id_,
           group_, id_, occupancy_, temp_factor_, ins_code_, x_, y_, z_,
           model_num_, auth_seq_id_, alt_loc_id_;
@@ -98,11 +98,13 @@ class AtomSiteCategory : public Category {
 public:
   AtomSiteCategory(struct ihm_reader *reader, std::string name,
                    std::string filename, Model *model, Hierarchies *hiers,
-                   PDBSelector *selector, bool select_first_model) :
+                   PDBSelector *selector, bool read_all_models,
+                   bool honor_model_num) :
         Category(reader, "_atom_site", callback),
         name_(name), filename_(filename), model_(model),
         selector_(selector),
-        select_first_model_(select_first_model),
+        read_all_models_(read_all_models),
+        honor_model_num_(honor_model_num),
         atom_name_(c_, "label_atom_id"),
         residue_name_(c_, "label_comp_id"),
         chain_(c_, "label_asym_id"),
@@ -141,7 +143,7 @@ class AtomSiteCategory : public Category {
   // Return false if this model should be skipped.
   bool get_root_particle(int model_num) {
     if (root_p_ == nullptr || model_num != curr_model_num_) {
-      if (select_first_model_ && root_p_ != nullptr) {
+      if (!read_all_models_ && root_p_ != nullptr) {
         return false;
       }
       curr_model_num_ = model_num;
@@ -226,7 +228,7 @@ class AtomSiteCategory : public Category {
     if (!get_is_selected()) {
       return;
     }
-    if (!get_root_particle(model_num_.as_int())) {
+    if (!get_root_particle(honor_model_num_ ? model_num_.as_int() : 1)) {
       return;
     }
 
@@ -294,7 +296,8 @@ ssize_t read_callback(char *buffer, size_t buffer_len,
 
 Hierarchies read_mmcif(std::istream& in, std::string name, std::string filename,
                        Model* model, PDBSelector *selector,
-                       bool select_first_model, bool noradii)
+                       bool read_all_models, bool honor_model_num,
+                       bool noradii)
 {
   IMP::PointerMember<PDBSelector> sp(selector);
   struct ihm_error *err = nullptr;
@@ -304,7 +307,7 @@ Hierarchies read_mmcif(std::istream& in, std::string name, std::string filename,
   Hierarchies ret;
 
   AtomSiteCategory asc(r, name, filename, model, &ret, selector,
-                       select_first_model);
+                       read_all_models, honor_model_num);
 
   int more_data;
   if (!ihm_read_file(r, &more_data, &err)) {
@@ -329,7 +332,7 @@ Hierarchies read_multimodel_mmcif(TextInput in, Model *model,
 {
   IMP::PointerMember<PDBSelector> sp(selector);
   Hierarchies ret = read_mmcif(in, cif_nicename(in.get_name()), in.get_name(),
-                               model, selector, false, noradii);
+                               model, selector, true, true, noradii);
   if (ret.empty()) {
     IMP_THROW("No molecule read from file " << in.get_name(), ValueException);
   }
@@ -337,11 +340,12 @@ Hierarchies read_multimodel_mmcif(TextInput in, Model *model,
 }
 
 Hierarchy read_mmcif(TextInput in, Model *model, PDBSelector* selector,
-                     bool noradii)
+                     bool select_first_model, bool noradii)
 {
   IMP::PointerMember<PDBSelector> sp(selector);
   Hierarchies ret = read_mmcif(in, cif_nicename(in.get_name()), in.get_name(),
-                               model, selector, true, noradii);
+                               model, selector, false, select_first_model,
+                               noradii);
   if (ret.empty()) {
     IMP_THROW("No molecule read from file " << in.get_name(), ValueException);
   }
diff --git a/modules/atom/test/test_mmcif.py b/modules/atom/test/test_mmcif.py
index 6b8d99fc71..7b878e03ff 100644
--- a/modules/atom/test/test_mmcif.py
+++ b/modules/atom/test/test_mmcif.py
@@ -27,8 +27,21 @@ def test_read_pdb_or_mmcif(self):
             self.get_input_file_name("input.cif"), m)
         chains = [IMP.atom.Chain(x)
                   for x in IMP.atom.get_by_type(mp, IMP.atom.CHAIN_TYPE)]
+        self.assertEqual(len(chains), 3)
         self.assertEqual(len(m.get_particle_indexes()), 435)
 
+    def test_read_pdb_or_mmcif_no_num(self):
+        """Check reading mmCIF with read_pdb_or_mmcif, ignoring model num"""
+        m = IMP.Model()
+
+        mp = IMP.atom.read_pdb_or_mmcif(
+            self.get_input_file_name("input.cif"), m,
+            IMP.atom.NonWaterPDBSelector(), False)
+        chains = [IMP.atom.Chain(x)
+                  for x in IMP.atom.get_by_type(mp, IMP.atom.CHAIN_TYPE)]
+        self.assertEqual(len(chains), 3)
+        self.assertEqual(len(m.get_particle_indexes()), 441)
+
     def test_read(self):
         """Check reading an mmCIF file with one protein"""
         m = IMP.Model()
@@ -48,6 +61,18 @@ def test_read(self):
         inscodes = [r.get_insertion_code() for r in rs[:4]]
         self.assertEqual(inscodes, [' ', ' ', 'A', ' '])
 
+    def test_read_pdb_no_num(self):
+        """Check reading mmCIF with read_mmcif, ignoring model num"""
+        m = IMP.Model()
+
+        mp = IMP.atom.read_mmcif(
+            self.get_input_file_name("input.cif"), m,
+            IMP.atom.NonWaterPDBSelector(), False)
+        chains = [IMP.atom.Chain(x)
+                  for x in IMP.atom.get_by_type(mp, IMP.atom.CHAIN_TYPE)]
+        self.assertEqual(len(chains), 3)
+        self.assertEqual(len(m.get_particle_indexes()), 441)
+
     def test_read_multimodel_pdb_or_mmcif(self):
         """Check reading mmCIF with read_multimodel_pdb_or_mmcif"""
         m = IMP.Model()
diff --git a/modules/atom/test/test_pdb.py b/modules/atom/test/test_pdb.py
index 079efbaea4..3aebd8ef9d 100644
--- a/modules/atom/test/test_pdb.py
+++ b/modules/atom/test/test_pdb.py
@@ -219,10 +219,18 @@ def test_read_one_model(self):
         m = IMP.Model()
         h = IMP.atom.read_pdb(self.open_input_file("multimodel.pdb"), m,
                               IMP.atom.AllPDBSelector(), True)
-        # print m.number
-        ln = IMP.atom.get_leaves(h)
-        print(len(ln))
-        self.assertLess(len(ln), 1000)
+        self.assertEqual(len(IMP.atom.get_leaves(h)), 987)
+        self.assertEqual(len(IMP.atom.get_by_type(h, IMP.atom.CHAIN_TYPE)),
+                         1)
+
+    def test_read_combine_models(self):
+        """Check read_pdb() reading multimodel into single hierarchy"""
+        m = IMP.Model()
+        h = IMP.atom.read_pdb(self.open_input_file("multimodel.pdb"), m,
+                              IMP.atom.AllPDBSelector(), False)
+        self.assertEqual(len(IMP.atom.get_leaves(h)), 19740)
+        self.assertEqual(len(IMP.atom.get_by_type(h, IMP.atom.CHAIN_TYPE)),
+                         1)
 
     def test_one_atom(self):
         """Test reading a PDB containing a single atom"""

From 18fdabdd005b5aa56dad67437c3b2711d447e0c7 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 13 Jul 2021 16:45:07 -0700
Subject: [PATCH 060/250] Close files when we're done with them

---
 modules/atom/test/expensive_test_pdb.py       |   8 +-
 modules/atom/test/medium_test_distance.py     |  16 +--
 modules/atom/test/test_ca_pdb.py              |   3 +-
 modules/atom/test/test_cover.py               |   8 +-
 modules/atom/test/test_distance.py            |  32 +++--
 modules/atom/test/test_element.py             |   8 +-
 modules/atom/test/test_get_residue.py         |   8 +-
 .../atom/test/test_hierarchy_navigation.py    |   4 +-
 modules/atom/test/test_mmcif.py               |  22 ++--
 modules/atom/test/test_pdb.py                 | 111 ++++++++++--------
 modules/atom/test/test_pdb_frames.py          |  14 +--
 modules/atom/test/test_rmsd_and_no.py         |  16 +--
 modules/atom/test/test_secondary_structure.py |   8 +-
 modules/atom/test/test_selection_set.py       |  21 ++--
 modules/atom/test/test_selection_type.py      |  27 +++--
 .../expensive_test_fitting_grid_search_pdb.py |   5 +-
 ...expensive_test_resample_by_rigid_bodies.py |  14 +--
 .../medium_test_correlation_decomposition.py  |   5 +-
 .../medium_test_fitting_of_rigid_bodies.py    |   5 +-
 modules/em/test/medium_test_local_fitting.py  |   5 +-
 ...um_test_rigid_cc_score_by_grid_rotation.py |  10 +-
 modules/em/test/test_spacing.py               |   5 +-
 modules/kernel/test/test_file.py              |  11 +-
 .../test/test_protein_kinematics.py           |   3 +-
 .../test/expensive_test_rigid_fitting_fft.py  |  10 +-
 .../test/expensive_test_rigid_fitting_pca.py  |  10 +-
 .../multifit/test/test_add_surface_index.py   |   5 +-
 modules/multifit/test/test_anchor_graph.py    |   4 +-
 modules/multifit/test/test_hit_map.py         |   4 +-
 29 files changed, 223 insertions(+), 179 deletions(-)

diff --git a/modules/atom/test/expensive_test_pdb.py b/modules/atom/test/expensive_test_pdb.py
index aa46ec28a0..435b8680cf 100644
--- a/modules/atom/test/expensive_test_pdb.py
+++ b/modules/atom/test/expensive_test_pdb.py
@@ -48,8 +48,8 @@ def test_read_het(self):
         m = IMP.Model()
 
         #! read PDB
-        mp = IMP.atom.read_pdb(self.open_input_file("1DQK.pdb"),
-                               m, IMP.atom.NonWaterPDBSelector())
+        with self.open_input_file("1DQK.pdb") as fh:
+            mp = IMP.atom.read_pdb(fh, m, IMP.atom.NonWaterPDBSelector())
         ps = IMP.atom.get_by_type(mp, IMP.atom.ATOM_TYPE)
         self.assertEqual(len(ps), 4060)
         # IMP.atom.show_molecular_hierarchy(mp)
@@ -60,8 +60,8 @@ def test_read_het(self):
         IMP.atom.add_radii(mp)
         IMP.atom.show_molecular_hierarchy(mp)
         # read another PDB
-        mp = IMP.atom.read_pdb(self.open_input_file("1aon.pdb"),
-                               m, IMP.atom.NonWaterPDBSelector())
+        with self.open_input_file("1aon.pdb") as fh:
+            mp = IMP.atom.read_pdb(fh, m, IMP.atom.NonWaterPDBSelector())
         ps = IMP.atom.get_by_type(mp, IMP.atom.ATOM_TYPE)
         self.assertEqual(len(ps), 58870)
 
diff --git a/modules/atom/test/medium_test_distance.py b/modules/atom/test/medium_test_distance.py
index 457afeab78..c0b0ef8715 100644
--- a/modules/atom/test/medium_test_distance.py
+++ b/modules/atom/test/medium_test_distance.py
@@ -12,14 +12,14 @@ def test_component_placement_score(self):
         """Testing that component placement score returns the same transformation if called twice"""
         m = IMP.Model()
         # read PDB
-        mp1_ref = atom.read_pdb(self.open_input_file("1z5s_A.pdb"),
-                                m, atom.NonWaterPDBSelector())
-        mp1_mdl = atom.read_pdb(self.open_input_file("1z5s_A.pdb"),
-                                m, atom.NonWaterPDBSelector())
-        mp2_ref = atom.read_pdb(self.open_input_file("1z5s_C.pdb"),
-                                m, atom.NonWaterPDBSelector())
-        mp2_mdl = atom.read_pdb(self.open_input_file("1z5s_C.pdb"),
-                                m, atom.NonWaterPDBSelector())
+        with self.open_input_file("1z5s_A.pdb") as fh:
+            mp1_ref = atom.read_pdb(fh, m, atom.NonWaterPDBSelector())
+        with self.open_input_file("1z5s_A.pdb") as fh:
+            mp1_mdl = atom.read_pdb(fh, m, atom.NonWaterPDBSelector())
+        with self.open_input_file("1z5s_C.pdb") as fh:
+            mp2_ref = atom.read_pdb(fh, m, atom.NonWaterPDBSelector())
+        with self.open_input_file("1z5s_C.pdb") as fh:
+            mp2_mdl = atom.read_pdb(fh, m, atom.NonWaterPDBSelector())
         xyz1_ref = core.XYZs(atom.get_leaves(mp1_ref))
         xyz1_mdl = core.XYZs(atom.get_leaves(mp1_mdl))
         xyz2_ref = core.XYZs(atom.get_leaves(mp2_ref))
diff --git a/modules/atom/test/test_ca_pdb.py b/modules/atom/test/test_ca_pdb.py
index 41d6e068fe..7dd5ae740e 100644
--- a/modules/atom/test/test_ca_pdb.py
+++ b/modules/atom/test/test_ca_pdb.py
@@ -9,7 +9,8 @@ class Tests(IMP.test.TestCase):
     def test_one(self):
         """Test that writing hierarchies to pdb as cas works"""
         m = IMP.Model()
-        h = IMP.atom.read_pdb(self.open_input_file("input.pdb"), m)
+        with self.open_input_file("input.pdb") as fh:
+            h = IMP.atom.read_pdb(fh, m)
         hs = IMP.atom.create_simplified_along_backbone(h, 1)
         o = io.BytesIO()
         IMP.atom.write_pdb_of_c_alphas(hs, o)
diff --git a/modules/atom/test/test_cover.py b/modules/atom/test/test_cover.py
index c33fca9310..549364eeb8 100644
--- a/modules/atom/test/test_cover.py
+++ b/modules/atom/test/test_cover.py
@@ -44,8 +44,8 @@ def test_nonrigid(self):
         m = IMP.Model()
 
         #! read PDB
-        mp = IMP.atom.read_pdb(self.open_input_file("input.pdb"),
-                               m, IMP.atom.CAlphaPDBSelector())
+        with self.open_input_file("input.pdb") as fh:
+            mp = IMP.atom.read_pdb(fh, m, IMP.atom.CAlphaPDBSelector())
         s = IMP.atom.Selection(mp, residue_indexes=[26, 30])
         d = IMP.atom.create_cover(s, "my cover")
         m.update()
@@ -61,8 +61,8 @@ def test_rigid(self):
         m = IMP.Model()
         #! read PDB
         IMP.set_log_level(IMP.SILENT)
-        mp = IMP.atom.read_pdb(self.open_input_file("input.pdb"),
-                               m, IMP.atom.CAlphaPDBSelector())
+        with self.open_input_file("input.pdb") as fh:
+            mp = IMP.atom.read_pdb(fh, m, IMP.atom.CAlphaPDBSelector())
         rb = IMP.atom.create_rigid_body(mp)
         # IMP.set_log_level(IMP.VERBOSE)
         # IMP.atom.show_molecular_hierarchy(mp)
diff --git a/modules/atom/test/test_distance.py b/modules/atom/test/test_distance.py
index 81c95c1212..48f14bde29 100644
--- a/modules/atom/test/test_distance.py
+++ b/modules/atom/test/test_distance.py
@@ -12,10 +12,10 @@ def test_placement_score(self):
         """Test placement score"""
         m = IMP.Model()
         # read PDB
-        mp = atom.read_pdb(self.open_input_file("mini.pdb"),
-                           m, atom.NonWaterPDBSelector())
-        mp1 = atom.read_pdb(self.open_input_file("mini.pdb"),
-                            m, atom.NonWaterPDBSelector())
+        with self.open_input_file("mini.pdb") as fh:
+            mp = atom.read_pdb(fh, m, atom.NonWaterPDBSelector())
+        with self.open_input_file("mini.pdb") as fh:
+            mp1 = atom.read_pdb(fh, m, atom.NonWaterPDBSelector())
         xyz = core.XYZs(atom.get_leaves(mp))
         xyz1 = core.XYZs(atom.get_leaves(mp1))
         # create a random transformation
@@ -33,8 +33,10 @@ def test_drms(self):
         """ Test drms measure """
         m = IMP.Model()
         sel = atom.CAlphaPDBSelector()
-        prot1 = atom.read_pdb(self.open_input_file("mini.pdb"), m, sel)
-        prot2 = atom.read_pdb(self.open_input_file("mini.pdb"), m, sel)
+        with self.open_input_file("mini.pdb") as fh:
+            prot1 = atom.read_pdb(fh, m, sel)
+        with self.open_input_file("mini.pdb") as fh:
+            prot2 = atom.read_pdb(fh, m, sel)
         xyzs1 = core.XYZs(atom.get_leaves(prot1))
         xyzs2 = core.XYZs(atom.get_leaves(prot2))
         drms = atom.get_drms(xyzs1, xyzs2)
@@ -61,8 +63,10 @@ def test__rigid_bodies_drms(self):
         """ Test drms measure taking into account rigid bodies"""
         m = IMP.Model()
         sel = atom.CAlphaPDBSelector()
-        prot1 = atom.read_pdb(self.open_input_file("mini.pdb"), m, sel)
-        prot2 = atom.read_pdb(self.open_input_file("mini.pdb"), m, sel)
+        with self.open_input_file("mini.pdb") as fh:
+            prot1 = atom.read_pdb(fh, m, sel)
+        with self.open_input_file("mini.pdb") as fh:
+            prot2 = atom.read_pdb(fh, m, sel)
 
         hchains1 = atom.get_by_type(prot1, atom.CHAIN_TYPE)
         hchains2 = atom.get_by_type(prot2, atom.CHAIN_TYPE)
@@ -99,8 +103,10 @@ def test__rigid_bodies_drmsd(self):
         """ Test drmsd measure"""
         m = IMP.Model()
         sel = atom.CAlphaPDBSelector()
-        prot1 = atom.read_pdb(self.open_input_file("mini.pdb"), m, sel)
-        prot2 = atom.read_pdb(self.open_input_file("mini.pdb"), m, sel)
+        with self.open_input_file("mini.pdb") as fh:
+            prot1 = atom.read_pdb(fh, m, sel)
+        with self.open_input_file("mini.pdb") as fh:
+            prot2 = atom.read_pdb(fh, m, sel)
 
         xyzs1 = core.XYZs(atom.get_leaves(prot1))
         xyzs2 = core.XYZs(atom.get_leaves(prot2))
@@ -138,8 +144,10 @@ def test__rigid_bodies_drmsd_Q(self):
         """ Test drmsd_Q measure"""
         m = IMP.Model()
         sel = atom.CAlphaPDBSelector()
-        prot1 = atom.read_pdb(self.open_input_file("mini.pdb"), m, sel)
-        prot2 = atom.read_pdb(self.open_input_file("mini.pdb"), m, sel)
+        with self.open_input_file("mini.pdb") as fh:
+            prot1 = atom.read_pdb(fh, m, sel)
+        with self.open_input_file("mini.pdb") as fh:
+            prot2 = atom.read_pdb(fh, m, sel)
 
         xyzs1 = core.XYZs(atom.get_leaves(prot1))
         xyzs2 = core.XYZs(atom.get_leaves(prot2))
diff --git a/modules/atom/test/test_element.py b/modules/atom/test/test_element.py
index 0acee29406..37b8a64431 100644
--- a/modules/atom/test/test_element.py
+++ b/modules/atom/test/test_element.py
@@ -12,8 +12,8 @@ def test_element_mass(self):
         """Check assigning elements and masses to pdb with one protein"""
         m = IMP.Model()
         # read PDB, assign elements and masses
-        mp = IMP.atom.read_pdb(self.open_input_file("input.pdb"),
-                               m, IMP.atom.NonWaterPDBSelector())
+        with self.open_input_file("input.pdb") as fh:
+            mp = IMP.atom.read_pdb(fh, m, IMP.atom.NonWaterPDBSelector())
         atoms = IMP.atom.get_by_type(mp, IMP.atom.ATOM_TYPE)
         # compute mass
         # mass is assigned using elements, so we are testing both here
@@ -42,8 +42,8 @@ def test_element_assignment(self):
         m = IMP.Model()
 
         #! read PDB
-        mp = IMP.atom.read_pdb(self.open_input_file("elements.pdb"),
-                               m, IMP.atom.NonWaterPDBSelector())
+        with self.open_input_file("elements.pdb") as fh:
+            mp = IMP.atom.read_pdb(fh, m, IMP.atom.NonWaterPDBSelector())
         ps = IMP.atom.get_by_type(mp, IMP.atom.ATOM_TYPE)
         self.assertEqual(len(ps), 13)
         self.assertEqual(
diff --git a/modules/atom/test/test_get_residue.py b/modules/atom/test/test_get_residue.py
index bca05eba3f..4fed7d185b 100644
--- a/modules/atom/test/test_get_residue.py
+++ b/modules/atom/test/test_get_residue.py
@@ -10,8 +10,8 @@ def test_read(self):
         m = IMP.Model()
 
         #! read PDB
-        mp = IMP.atom.read_pdb(self.open_input_file("input.pdb"),
-                               m, IMP.atom.NonWaterPDBSelector())
+        with self.open_input_file("input.pdb") as fh:
+            mp = IMP.atom.read_pdb(fh, m, IMP.atom.NonWaterPDBSelector())
         chain = mp.get_child(0)
         r = IMP.atom.get_residue(chain, 10)
         self.assertNotEqual(r, IMP.atom.Hierarchy())
@@ -24,8 +24,8 @@ def test_residue_mass(self):
         m = IMP.Model()
 
         #! read PDB
-        mp = IMP.atom.read_pdb(self.open_input_file("input.pdb"),
-                               m, IMP.atom.NonWaterPDBSelector())
+        with self.open_input_file("input.pdb") as fh:
+            mp = IMP.atom.read_pdb(fh, m, IMP.atom.NonWaterPDBSelector())
         chain = mp.get_child(0)
         r = IMP.atom.get_residue(chain, 10)
         rr = IMP.atom.Residue(r.get_particle())
diff --git a/modules/atom/test/test_hierarchy_navigation.py b/modules/atom/test/test_hierarchy_navigation.py
index d538524c3c..05fbcc34a2 100644
--- a/modules/atom/test/test_hierarchy_navigation.py
+++ b/modules/atom/test/test_hierarchy_navigation.py
@@ -10,8 +10,8 @@ def test_read(self):
         m = IMP.Model()
 
         #! read PDB
-        mp = IMP.atom.read_pdb(self.open_input_file("input.pdb"),
-                               m, IMP.atom.NonWaterPDBSelector())
+        with self.open_input_file("input.pdb") as fh:
+            mp = IMP.atom.read_pdb(fh, m, IMP.atom.NonWaterPDBSelector())
         res = IMP.atom.get_by_type(mp, IMP.atom.RESIDUE_TYPE)
         nres = IMP.atom.get_next_residue(IMP.atom.Residue(res[0]))
 
diff --git a/modules/atom/test/test_mmcif.py b/modules/atom/test/test_mmcif.py
index 7b878e03ff..0ff0d74aec 100644
--- a/modules/atom/test/test_mmcif.py
+++ b/modules/atom/test/test_mmcif.py
@@ -14,10 +14,9 @@ def test_bad_read(self):
         self.assertRaises(IMP.IOException,
                           IMP.atom.read_mmcif, "notafile.pdb",
                           m)
-        self.assertRaises(IMP.ValueException,
-                          IMP.atom.read_mmcif,
-                          self.open_input_file("notapdb.pdb"),
-                          m)
+        with self.open_input_file("notapdb.pdb") as fh:
+            self.assertRaises(IMP.ValueException,
+                              IMP.atom.read_mmcif, fh, m)
 
     def test_read_pdb_or_mmcif(self):
         """Check reading mmCIF with read_pdb_or_mmcif"""
@@ -47,7 +46,8 @@ def test_read(self):
         m = IMP.Model()
 
         #! read PDB
-        mp = IMP.atom.read_mmcif(self.open_input_file("input.cif"), m)
+        with self.open_input_file("input.cif") as fh:
+            mp = IMP.atom.read_mmcif(fh, m)
         chains = [IMP.atom.Chain(x)
                   for x in IMP.atom.get_by_type(mp, IMP.atom.CHAIN_TYPE)]
         self.assertEqual(len(m.get_particle_indexes()), 435)
@@ -92,8 +92,8 @@ def test_read_multimodel(self):
         m = IMP.Model()
 
         #! read PDB
-        mps = IMP.atom.read_multimodel_mmcif(
-                                self.open_input_file("input.cif"), m)
+        with self.open_input_file("input.cif") as fh:
+            mps = IMP.atom.read_multimodel_mmcif(fh, m)
         mp1, mp2 = mps
         chains1 = [IMP.atom.Chain(x)
                    for x in IMP.atom.get_by_type(mp1, IMP.atom.CHAIN_TYPE)]
@@ -110,8 +110,8 @@ def test_select_backbone(self):
         """Check reading an mmCIF file, only backbone"""
         m = IMP.Model()
 
-        mp = IMP.atom.read_mmcif(self.open_input_file("input.cif"), m,
-                                 IMP.atom.BackbonePDBSelector())
+        with self.open_input_file("input.cif") as fh:
+            mp = IMP.atom.read_mmcif(fh, m, IMP.atom.BackbonePDBSelector())
         self.assertEqual(len(m.get_particle_indexes()), 278)
         # Only backbone atom types should have been read
         ats = frozenset(IMP.atom.Atom(x).get_atom_type().get_string()
@@ -122,8 +122,8 @@ def test_select_nitrogen(self):
         """Check reading an mmCIF file, only nitrogen atoms"""
         m = IMP.Model()
 
-        mp = IMP.atom.read_mmcif(self.open_input_file("input.cif"), m,
-                                 IMP.atom.NPDBSelector())
+        with self.open_input_file("input.cif") as fh:
+            mp = IMP.atom.read_mmcif(fh, m, IMP.atom.NPDBSelector())
         self.assertEqual(len(m.get_particle_indexes()), 115)
         # Only nitrogens should have been read
         ats = frozenset(IMP.atom.Atom(x).get_atom_type().get_string()
diff --git a/modules/atom/test/test_pdb.py b/modules/atom/test/test_pdb.py
index 3aebd8ef9d..af80e46a97 100644
--- a/modules/atom/test/test_pdb.py
+++ b/modules/atom/test/test_pdb.py
@@ -30,10 +30,8 @@ def test_bad_read(self):
         # we don't actually check if a file is a pdb or not
         # and can't conclude it is not due to not reading any atoms
         # as the selector may filter them all.
-        self.assertRaises(IMP.ValueException,
-                          IMP.atom.read_pdb,
-                          self.open_input_file("notapdb.pdb"),
-                          m)
+        with self.open_input_file("notapdb.pdb") as fh:
+            self.assertRaises(IMP.ValueException, IMP.atom.read_pdb, fh, m)
 
     def test_selector_standard_object_methods(self):
         """Check standard object methods of selectors"""
@@ -43,16 +41,16 @@ def test_selector_standard_object_methods(self):
     def test_invalid(self):
         """Check handling of invalid format PDB files"""
         m = IMP.Model()
-        mp = IMP.atom.read_pdb(self.open_input_file("invalid.pdb"),
-                               m, IMP.atom.NonWaterPDBSelector())
+        with self.open_input_file("invalid.pdb") as fh:
+            mp = IMP.atom.read_pdb(fh, m, IMP.atom.NonWaterPDBSelector())
 
     def test_read_mmcif_or_pdb(self):
         """Check reading a PDB with read_pdb_or_mmcif()"""
         m = IMP.Model()
 
-        mp = IMP.atom.read_pdb_or_mmcif(
-            self.open_input_file("input.pdb"),
-            m, IMP.atom.NonWaterPDBSelector())
+        with self.open_input_file("input.pdb") as fh:
+            mp = IMP.atom.read_pdb_or_mmcif(
+                fh, m, IMP.atom.NonWaterPDBSelector())
         self.assertEqual(len(m.get_particle_indexes()), 1133)
 
     def test_read(self):
@@ -60,8 +58,8 @@ def test_read(self):
         m = IMP.Model()
 
         #! read PDB
-        mp = IMP.atom.read_pdb(self.open_input_file("input.pdb"),
-                               m, IMP.atom.NonWaterPDBSelector())
+        with self.open_input_file("input.pdb") as fh:
+            mp = IMP.atom.read_pdb(fh, m, IMP.atom.NonWaterPDBSelector())
         self.assertEqual(len(m.get_particle_indexes()), 1133)
         # IMP.atom.show_molecular_hierarchy(mp)
         IMP.atom.show(mp)
@@ -72,8 +70,8 @@ def test_read(self):
         IMP.atom.show_molecular_hierarchy(mp)
 
         m2 = IMP.Model()
-        mp = IMP.atom.read_pdb(self.open_input_file("input.pdb"),
-                               m2, IMP.atom.CAlphaPDBSelector())
+        with self.open_input_file("input.pdb") as fh:
+            mp = IMP.atom.read_pdb(fh, m2, IMP.atom.CAlphaPDBSelector())
         self.assertEqual(len(m2.get_particle_indexes()), 261)
         ps = IMP.atom.get_by_type(mp, IMP.atom.ATOM_TYPE)
         self.assertEqual(len(ps), 129)
@@ -82,19 +80,19 @@ def test_read(self):
         self.assertEqual(len(bds), 0)
 
         # more selector testing
-        mp = IMP.atom.read_pdb(self.open_input_file("input.pdb"),
-                               m, IMP.atom.BackbonePDBSelector())
+        with self.open_input_file("input.pdb") as fh:
+            mp = IMP.atom.read_pdb(fh, m, IMP.atom.BackbonePDBSelector())
         ps = IMP.atom.get_by_type(mp, IMP.atom.ATOM_TYPE)
         self.assertEqual(len(ps), 516)
 
-        mp = IMP.atom.read_pdb(self.open_input_file("input.pdb"),
-                               m, IMP.atom.NPDBSelector())
+        with self.open_input_file("input.pdb") as fh:
+            mp = IMP.atom.read_pdb(fh, m, IMP.atom.NPDBSelector())
         ps = IMP.atom.get_by_type(mp, IMP.atom.ATOM_TYPE)
         self.assertEqual(len(ps), 129)
 
         # one more test for DNA
-        mp = IMP.atom.read_pdb(self.open_input_file("single_dna.pdb"),
-                               m, IMP.atom.NonWaterPDBSelector())
+        with self.open_input_file("single_dna.pdb") as fh:
+            mp = IMP.atom.read_pdb(fh, m, IMP.atom.NonWaterPDBSelector())
         ps = IMP.atom.get_by_type(mp, IMP.atom.ATOM_TYPE)
         self.assertEqual(len(ps), 3011)
 
@@ -102,8 +100,8 @@ def test_read_non_water(self):
         """Check that the default pdb reader skips waters"""
         IMP.set_log_level(IMP.VERBOSE)
         m = IMP.Model()
-        mp = IMP.atom.read_pdb(self.open_input_file("protein_water.pdb"),
-                               m)
+        with self.open_input_file("protein_water.pdb") as fh:
+            mp = IMP.atom.read_pdb(fh, m)
         a = IMP.atom.get_leaves(mp)
         IMP.atom.write_pdb(mp, self.get_tmp_file_name("water_write.pdb"))
         self.assertEqual(len(a), 320)
@@ -112,8 +110,8 @@ def test_read_hydrogen(self):
         """Check that the Hydrogen selector can identify all hydrogens"""
         IMP.set_log_level(IMP.VERBOSE)
         m = IMP.Model()
-        mp = IMP.atom.read_pdb(self.open_input_file("hydrogen.pdb"),
-                               m, IMP.atom.HydrogenPDBSelector())
+        with self.open_input_file("hydrogen.pdb") as fh:
+            mp = IMP.atom.read_pdb(fh, m, IMP.atom.HydrogenPDBSelector())
         a = IMP.atom.get_leaves(mp)
         self.assertEqual(len(a), 22)
 
@@ -121,58 +119,65 @@ def test_read_non_hydrogen(self):
         """Check NonHydrogenPDBSelector"""
         IMP.set_log_level(IMP.VERBOSE)
         m = IMP.Model()
-        mp = IMP.atom.read_pdb(self.open_input_file("hydrogen.pdb"),
-                               m, IMP.atom.NonHydrogenPDBSelector())
+        with self.open_input_file("hydrogen.pdb") as fh:
+            mp = IMP.atom.read_pdb(fh, m, IMP.atom.NonHydrogenPDBSelector())
         a = IMP.atom.get_leaves(mp)
         self.assertEqual(len(a), 3)
 
     def test_atom_type(self):
         """Test AtomTypePDBSelector"""
         m = IMP.Model()
-        mp = IMP.atom.read_pdb(self.open_input_file("hydrogen.pdb"),
-                               m, IMP.atom.AtomTypePDBSelector(["HA", "3HE"]))
+        with self.open_input_file("hydrogen.pdb") as fh:
+            mp = IMP.atom.read_pdb(
+                fh, m, IMP.atom.AtomTypePDBSelector(["HA", "3HE"]))
         self.assertEqual(len(IMP.atom.get_leaves(mp)), 3)
 
     def test_residue_type(self):
         """Test ResidueTypePDBSelector"""
         m = IMP.Model()
-        mp = IMP.atom.read_pdb(self.open_input_file("hydrogen.pdb"),
-                               m, IMP.atom.ResidueTypePDBSelector(["MET"]))
+        with self.open_input_file("hydrogen.pdb") as fh:
+            mp = IMP.atom.read_pdb(
+                fh, m, IMP.atom.ResidueTypePDBSelector(["MET"]))
         self.assertEqual(len(IMP.atom.get_leaves(mp)), 22)
 
     def test_sel_logic(self):
         """Test boolean logic selectors"""
         m = IMP.Model()
-        mp = IMP.atom.read_pdb(self.open_input_file("hydrogen.pdb"),
-                               m, IMP.atom.HydrogenPDBSelector())
+        with self.open_input_file("hydrogen.pdb") as fh:
+            mp = IMP.atom.read_pdb(fh, m, IMP.atom.HydrogenPDBSelector())
         a = IMP.atom.get_leaves(mp)
-        mpn = IMP.atom.read_pdb(self.open_input_file("hydrogen.pdb"),
-                                m, IMP.atom.NotPDBSelector(IMP.atom.HydrogenPDBSelector()))
+        with self.open_input_file("hydrogen.pdb") as fh:
+            mpn = IMP.atom.read_pdb(
+                fh, m, IMP.atom.NotPDBSelector(IMP.atom.HydrogenPDBSelector()))
         an = IMP.atom.get_leaves(mpn)
         for s in (IMP.atom.OrPDBSelector(IMP.atom.NotPDBSelector(IMP.atom.HydrogenPDBSelector()), IMP.atom.HydrogenPDBSelector()),
               ~IMP.atom.HydrogenPDBSelector() | IMP.atom.HydrogenPDBSelector()):
-            mpb = IMP.atom.read_pdb(self.open_input_file("hydrogen.pdb"), m, s)
+            with self.open_input_file("hydrogen.pdb") as fh:
+                mpb = IMP.atom.read_pdb(fh, m, s)
             ab = IMP.atom.get_leaves(mpb)
             self.assertEqual(len(ab), len(an) + len(a))
         for s in (IMP.atom.AndPDBSelector(IMP.atom.HydrogenPDBSelector(),
                                           IMP.atom.ChainPDBSelector('L')),
                   IMP.atom.HydrogenPDBSelector()
                         & IMP.atom.ChainPDBSelector('L')):
-            mpb = IMP.atom.read_pdb(self.open_input_file("hydrogen.pdb"), m, s)
+            with self.open_input_file("hydrogen.pdb") as fh:
+                mpb = IMP.atom.read_pdb(fh, m, s)
             ab = IMP.atom.get_leaves(mpb)
             self.assertEqual(len(ab), 9)
         for s in (IMP.atom.XorPDBSelector(IMP.atom.HydrogenPDBSelector(),
                                           IMP.atom.ChainPDBSelector('L')),
                   IMP.atom.HydrogenPDBSelector()
                         ^ IMP.atom.ChainPDBSelector('L')):
-            mpb = IMP.atom.read_pdb(self.open_input_file("hydrogen.pdb"), m, s)
+            with self.open_input_file("hydrogen.pdb") as fh:
+                mpb = IMP.atom.read_pdb(fh, m, s)
             ab = IMP.atom.get_leaves(mpb)
             self.assertEqual(len(ab), 14)
         for s in (IMP.atom.AndPDBSelector(IMP.atom.HydrogenPDBSelector(),
                       IMP.atom.NotPDBSelector(IMP.atom.ChainPDBSelector('L'))),
                   IMP.atom.HydrogenPDBSelector()
                         - IMP.atom.ChainPDBSelector('L')):
-            mpb = IMP.atom.read_pdb(self.open_input_file("hydrogen.pdb"), m, s)
+            with self.open_input_file("hydrogen.pdb") as fh:
+                mpb = IMP.atom.read_pdb(fh, m, s)
             ab = IMP.atom.get_leaves(mpb)
             self.assertEqual(len(ab), 13)
 
@@ -187,10 +192,10 @@ def get_is_selected(self, ln):
                 return ln.startswith("ATOM")
 
         m = IMP.Model()
-        mp = IMP.atom.read_pdb(self.open_input_file("hydrogen.pdb"),
-                               m, IMP.atom.ATOMPDBSelector())
-        mp_py = IMP.atom.read_pdb(self.open_input_file("hydrogen.pdb"),
-                                  m, my_selector())
+        with self.open_input_file("hydrogen.pdb") as fh:
+            mp = IMP.atom.read_pdb(fh, m, IMP.atom.ATOMPDBSelector())
+        with self.open_input_file("hydrogen.pdb") as fh:
+            mp_py = IMP.atom.read_pdb(fh, m, my_selector())
 
         l = IMP.atom.get_leaves(mp)
         self.assertEqual(len(l), 25)
@@ -201,24 +206,25 @@ def test_read_non_prob(self):
         """Check that problem lines are read properly"""
         IMP.set_log_level(IMP.VERBOSE)
         m = IMP.Model()
-        mp = IMP.atom.read_pdb(self.open_input_file("problem_lines.pdb"), m)
+        with self.open_input_file("problem_lines.pdb") as fh:
+            mp = IMP.atom.read_pdb(fh, m)
         a = IMP.atom.get_leaves(mp)
         self.assertEqual(len(a), 1)
 
     def test_read_multimodel_pdb_or_mmcif(self):
         """Check reading PDB with read_multimodel_pdb_or_mmcif"""
         m = IMP.Model()
-        h = IMP.atom.read_multimodel_pdb_or_mmcif(
-            self.open_input_file("multimodel.pdb"), m,
-            IMP.atom.AllPDBSelector())
+        with self.open_input_file("multimodel.pdb") as fh:
+            h = IMP.atom.read_multimodel_pdb_or_mmcif(
+                fh, m, IMP.atom.AllPDBSelector())
         ln = IMP.atom.get_leaves(h)
         self.assertEqual(len(ln), 19740)
 
     def test_read_one_model(self):
         """Check that only the first model is read"""
         m = IMP.Model()
-        h = IMP.atom.read_pdb(self.open_input_file("multimodel.pdb"), m,
-                              IMP.atom.AllPDBSelector(), True)
+        with self.open_input_file("multimodel.pdb") as fh:
+            h = IMP.atom.read_pdb(fh, m, IMP.atom.AllPDBSelector(), True)
         self.assertEqual(len(IMP.atom.get_leaves(h)), 987)
         self.assertEqual(len(IMP.atom.get_by_type(h, IMP.atom.CHAIN_TYPE)),
                          1)
@@ -226,8 +232,8 @@ def test_read_one_model(self):
     def test_read_combine_models(self):
         """Check read_pdb() reading multimodel into single hierarchy"""
         m = IMP.Model()
-        h = IMP.atom.read_pdb(self.open_input_file("multimodel.pdb"), m,
-                              IMP.atom.AllPDBSelector(), False)
+        with self.open_input_file("multimodel.pdb") as fh:
+            h = IMP.atom.read_pdb(fh, m, IMP.atom.AllPDBSelector(), False)
         self.assertEqual(len(IMP.atom.get_leaves(h)), 19740)
         self.assertEqual(len(IMP.atom.get_by_type(h, IMP.atom.CHAIN_TYPE)),
                          1)
@@ -235,8 +241,8 @@ def test_read_combine_models(self):
     def test_one_atom(self):
         """Test reading a PDB containing a single atom"""
         m = IMP.Model()
-        h = IMP.atom.read_pdb(self.open_input_file("single_atom.pdb"), m,
-                              IMP.atom.AllPDBSelector(), True)
+        with self.open_input_file("single_atom.pdb") as fh:
+            h = IMP.atom.read_pdb(fh, m, IMP.atom.AllPDBSelector(), True)
         # print m.number
         ln = IMP.atom.get_leaves(h)
         print(len(ln))
@@ -244,7 +250,8 @@ def test_one_atom(self):
 
     def test_indexes(self):
         m = IMP.Model()
-        h = IMP.atom.read_pdb(self.open_input_file("dna.pdb"), m)
+        with self.open_input_file("dna.pdb") as fh:
+            h = IMP.atom.read_pdb(fh, m)
         tn = self.get_tmp_file_name("out_dna.pdb")
         IMP.atom.write_pdb(h, tn)
         hp = IMP.atom.read_pdb(tn, m)
diff --git a/modules/atom/test/test_pdb_frames.py b/modules/atom/test/test_pdb_frames.py
index 2855feb046..a2b097579c 100644
--- a/modules/atom/test/test_pdb_frames.py
+++ b/modules/atom/test/test_pdb_frames.py
@@ -9,13 +9,13 @@ class Tests(IMP.test.TestCase):
     def test_read_one_model(self):
         """Reading of successive models from a pdb"""
         m = IMP.Model()
-        pdb = self.open_input_file("multimodel.pdb")
-        h = IMP.atom.read_pdb(pdb, m)
-        atom0 = IMP.core.XYZ(IMP.atom.get_leaves(h)[0])
-        self.assertAlmostEqual(atom0.get_x(), 24, delta=1)
-        IMP.atom.read_pdb(pdb, 3, h)
-        self.assertAlmostEqual(atom0.get_x(), 10, delta=1)
-        self.assertRaises(ValueError, IMP.atom.read_pdb, pdb, 21, h)
+        with self.open_input_file("multimodel.pdb") as pdb:
+            h = IMP.atom.read_pdb(pdb, m)
+            atom0 = IMP.core.XYZ(IMP.atom.get_leaves(h)[0])
+            self.assertAlmostEqual(atom0.get_x(), 24, delta=1)
+            IMP.atom.read_pdb(pdb, 3, h)
+            self.assertAlmostEqual(atom0.get_x(), 10, delta=1)
+            self.assertRaises(ValueError, IMP.atom.read_pdb, pdb, 21, h)
 
 if __name__ == '__main__':
     IMP.test.main()
diff --git a/modules/atom/test/test_rmsd_and_no.py b/modules/atom/test/test_rmsd_and_no.py
index 8a53ced671..39a47d55dc 100644
--- a/modules/atom/test/test_rmsd_and_no.py
+++ b/modules/atom/test/test_rmsd_and_no.py
@@ -11,10 +11,10 @@ def test_rmsd(self):
         """Testing proper results for RMSD"""
         m = IMP.Model()
         # read PDB
-        mp = IMP.atom.read_pdb(self.open_input_file("input.pdb"),
-                               m, IMP.atom.NonWaterPDBSelector())
-        mp1 = IMP.atom.read_pdb(self.open_input_file("input.pdb"),
-                                m, IMP.atom.NonWaterPDBSelector())
+        with self.open_input_file("input.pdb") as fh:
+            mp = IMP.atom.read_pdb(fh, m, IMP.atom.NonWaterPDBSelector())
+        with self.open_input_file("input.pdb") as fh:
+            mp1 = IMP.atom.read_pdb(fh, m, IMP.atom.NonWaterPDBSelector())
         xyz = IMP.core.XYZs(IMP.atom.get_leaves(mp))
         xyz1 = IMP.core.XYZs(IMP.atom.get_leaves(mp1))
         # create a random transformation
@@ -57,10 +57,10 @@ def test_native_overlap(self):
         """Testing proper results for native overlap"""
         m = IMP.Model()
         # read PDB
-        mp = IMP.atom.read_pdb(self.open_input_file("input.pdb"),
-                               m, IMP.atom.NonWaterPDBSelector())
-        mp1 = IMP.atom.read_pdb(self.open_input_file("input.pdb"),
-                                m, IMP.atom.NonWaterPDBSelector())
+        with self.open_input_file("input.pdb") as fh:
+            mp = IMP.atom.read_pdb(fh, m, IMP.atom.NonWaterPDBSelector())
+        with self.open_input_file("input.pdb") as fh:
+            mp1 = IMP.atom.read_pdb(fh, m, IMP.atom.NonWaterPDBSelector())
         xyz = IMP.core.XYZs(IMP.atom.get_leaves(mp))
         xyz1 = IMP.core.XYZs(IMP.atom.get_leaves(mp1))
         # create a random transformation
diff --git a/modules/atom/test/test_secondary_structure.py b/modules/atom/test/test_secondary_structure.py
index 29cd1fa5f7..fe9e3f8616 100644
--- a/modules/atom/test/test_secondary_structure.py
+++ b/modules/atom/test/test_secondary_structure.py
@@ -82,7 +82,8 @@ def test_match_score(self):
     def test_psipred_reader(self):
         """Test if psipred file is read into SecondaryStructureResidues"""
         m = IMP.Model()
-        ssres = IMP.atom.read_psipred(self.open_input_file("yGCP2.psipred"), m)
+        with self.open_input_file("yGCP2.psipred") as fh:
+            ssres = IMP.atom.read_psipred(fh, m)
         self.assertEqual(len(ssres), 769)
         self.assertAlmostEqual(ssres[0].get_prob_coil(), 1.0, delta=1e-6)
         self.assertAlmostEqual(ssres[0].get_prob_helix(), 0.0, delta=1e-6)
@@ -103,9 +104,8 @@ def test_psipred_reader_provided_particles(self):
             p = IMP.Particle(m)
             ps.append(p)
 
-        ssres = IMP.atom.read_psipred(
-            self.open_input_file("yGCP2.psipred"),
-            ps)
+        with self.open_input_file("yGCP2.psipred") as fh:
+            ssres = IMP.atom.read_psipred(fh, ps)
         self.assertEqual(len(ssres), 769)
         self.assertAlmostEqual(ssres[0].get_prob_coil(), 1.0, delta=1e-6)
         self.assertAlmostEqual(ssres[0].get_prob_helix(), 0.0, delta=1e-6)
diff --git a/modules/atom/test/test_selection_set.py b/modules/atom/test/test_selection_set.py
index 54802d6391..1b374f4d3e 100644
--- a/modules/atom/test/test_selection_set.py
+++ b/modules/atom/test/test_selection_set.py
@@ -17,7 +17,8 @@ def assert_ok(ps):
                 self.assert_(a.get_atom_type() == IMP.atom.AT_CG or rind == 433)
         IMP.set_log_level(IMP.SILENT)
         m = IMP.Model()
-        h = IMP.atom.read_pdb(self.open_input_file("mini.pdb"), m)
+        with self.open_input_file("mini.pdb") as fh:
+            h = IMP.atom.read_pdb(fh, m)
         s1 = IMP.atom.Selection(h, residue_type=IMP.atom.ASP)
         s2 = IMP.atom.Selection(h, atom_type=IMP.atom.AT_CG)
         for s in s1 | s2, s1.union(s2):
@@ -41,7 +42,8 @@ def assert_ok(ps):
                              or rind == 433)
         IMP.set_log_level(IMP.SILENT)
         m = IMP.Model()
-        h = IMP.atom.read_pdb(self.open_input_file("mini.pdb"), m)
+        with self.open_input_file("mini.pdb") as fh:
+            h = IMP.atom.read_pdb(fh, m)
         s1 = IMP.atom.Selection(h, residue_type=IMP.atom.ASP)
         s2 = IMP.atom.Selection(h, atom_type=IMP.atom.AT_CG)
         s3 = IMP.atom.Selection(h, atom_type=IMP.atom.AT_CG1)
@@ -66,7 +68,8 @@ def assert_ok(ps):
                              and rind == 433)
         IMP.set_log_level(IMP.SILENT)
         m = IMP.Model()
-        h = IMP.atom.read_pdb(self.open_input_file("mini.pdb"), m)
+        with self.open_input_file("mini.pdb") as fh:
+            h = IMP.atom.read_pdb(fh, m)
         s1 = IMP.atom.Selection(h, residue_type=IMP.atom.ASP)
         s2 = IMP.atom.Selection(h, atom_type=IMP.atom.AT_CG)
         for s in s1 & s2, s1.intersection(s2):
@@ -89,7 +92,8 @@ def assert_ok(ps):
                              ^ (rind == 433))
         IMP.set_log_level(IMP.SILENT)
         m = IMP.Model()
-        h = IMP.atom.read_pdb(self.open_input_file("mini.pdb"), m)
+        with self.open_input_file("mini.pdb") as fh:
+            h = IMP.atom.read_pdb(fh, m)
         s1 = IMP.atom.Selection(h, residue_type=IMP.atom.ASP)
         s2 = IMP.atom.Selection(h, atom_type=IMP.atom.AT_CG)
         for s in s1 ^ s2, s1.symmetric_difference(s2):
@@ -112,7 +116,8 @@ def assert_ok(ps):
                              and rind == 433)
         IMP.set_log_level(IMP.SILENT)
         m = IMP.Model()
-        h = IMP.atom.read_pdb(self.open_input_file("mini.pdb"), m)
+        with self.open_input_file("mini.pdb") as fh:
+            h = IMP.atom.read_pdb(fh, m)
         s1 = IMP.atom.Selection(h, residue_type=IMP.atom.ASP)
         s2 = IMP.atom.Selection(h, atom_type=IMP.atom.AT_CG)
         for s in s1 - s2, s1.difference(s2):
@@ -127,7 +132,8 @@ def test_multiple(self):
         """Test combination of multiple selections"""
         IMP.set_log_level(IMP.SILENT)
         m = IMP.Model()
-        h = IMP.atom.read_pdb(self.open_input_file("mini.pdb"), m)
+        with self.open_input_file("mini.pdb") as fh:
+            h = IMP.atom.read_pdb(fh, m)
         s = IMP.atom.Selection(h, residue_type=IMP.atom.PHE) \
               - (IMP.atom.Selection(h, atom_type=IMP.atom.AT_CG) \
                  | IMP.atom.Selection(h, terminus=IMP.atom.Selection.C))
@@ -153,7 +159,8 @@ def assert_ok(s):
                 self.assert_(at == IMP.atom.AT_CG)
         IMP.set_log_level(IMP.SILENT)
         m = IMP.Model()
-        h = IMP.atom.read_pdb(self.open_input_file("mini.pdb"), m)
+        with self.open_input_file("mini.pdb") as fh:
+            h = IMP.atom.read_pdb(fh, m)
         s1 = IMP.atom.Selection(h, atom_type=IMP.atom.AT_CG)
         s2 = IMP.atom.Selection(h)
         s3 = s1 & s2
diff --git a/modules/atom/test/test_selection_type.py b/modules/atom/test/test_selection_type.py
index b29a9f7db3..1ebdb2199c 100644
--- a/modules/atom/test/test_selection_type.py
+++ b/modules/atom/test/test_selection_type.py
@@ -63,7 +63,8 @@ def test_one(self):
         """Test selection of N and C termini"""
         IMP.set_log_level(IMP.SILENT)
         m = IMP.Model()
-        h = IMP.atom.read_pdb(self.open_input_file("mini.pdb"), m)
+        with self.open_input_file("mini.pdb") as fh:
+            h = IMP.atom.read_pdb(fh, m)
         cterm = IMP.atom.Selection(h, terminus=IMP.atom.Selection.C)
         nterm = IMP.atom.Selection(h, terminus=IMP.atom.Selection.N)
         print(cterm.get_selected_particles())
@@ -77,7 +78,8 @@ def test_element(self):
         """Test selection of atoms by element"""
         IMP.set_log_level(IMP.SILENT)
         m = IMP.Model()
-        h = IMP.atom.read_pdb(self.open_input_file("mini.pdb"), m)
+        with self.open_input_file("mini.pdb") as fh:
+            h = IMP.atom.read_pdb(fh, m)
         c = IMP.atom.Selection(h, element=IMP.atom.C)
         fe = IMP.atom.Selection(h, element=IMP.atom.Fe)
         n = IMP.atom.Selection(h, element=IMP.atom.N)
@@ -89,7 +91,8 @@ def test_atom_type(self):
         """Test selection of CA atoms and indexes"""
         IMP.set_log_level(IMP.SILENT)
         m = IMP.Model()
-        h = IMP.atom.read_pdb(self.open_input_file("mini.pdb"), m)
+        with self.open_input_file("mini.pdb") as fh:
+            h = IMP.atom.read_pdb(fh, m)
         ca = IMP.atom.Selection(h, atom_type=IMP.atom.AT_CA)
         cas = ca.get_selected_particle_indexes()
         self.assertEqual(len(cas), 9)
@@ -110,7 +113,8 @@ def test_residue_type(self):
         """Test selection of residue type"""
         IMP.set_log_level(IMP.SILENT)
         m = IMP.Model()
-        h = IMP.atom.read_pdb(self.open_input_file("mini.pdb"), m)
+        with self.open_input_file("mini.pdb") as fh:
+            h = IMP.atom.read_pdb(fh, m)
         v = IMP.atom.Selection(h, residue_type=IMP.atom.VAL)
         ps = v.get_selected_particle_indexes()
         self.assertEqual(len(ps), 7)
@@ -175,10 +179,12 @@ def test_mol(self):
         IMP.set_log_level(IMP.SILENT)
         m = IMP.Model()
         r = IMP.atom.Hierarchy.setup_particle(m, m.add_particle("root"))
-        h0 = IMP.atom.read_pdb(self.open_input_file("mini.pdb"), m)
+        with self.open_input_file("mini.pdb") as fh:
+            h0 = IMP.atom.read_pdb(fh, m)
         h0.set_name("mini0")
         r.add_child(h0)
-        h1 = IMP.atom.read_pdb(self.open_input_file("mini.pdb"), m)
+        with self.open_input_file("mini.pdb") as fh:
+            h1 = IMP.atom.read_pdb(fh, m)
         h1.set_name("mini1")
         IMP.atom.Molecule.setup_particle(h1)
         IMP.atom.Molecule.setup_particle(h0)
@@ -197,7 +203,8 @@ def test_residues_rb(self):
         """Test selecting residues from rigid bodies"""
         IMP.set_log_level(IMP.VERBOSE)
         m = IMP.Model()
-        r = IMP.atom.read_pdb(self.open_input_file("mini.pdb"), m)
+        with self.open_input_file("mini.pdb") as fh:
+            r = IMP.atom.read_pdb(fh, m)
         rb = IMP.atom.create_rigid_body(r)
         s = IMP.atom.Selection([r], residue_indexes=[436, 437])
         pis = s.get_selected_particle_indexes()
@@ -237,7 +244,8 @@ def test_hierarchy_type(self):
         """Test selection of hierarchy types"""
         IMP.set_log_level(IMP.SILENT)
         m = IMP.Model()
-        h = IMP.atom.read_pdb(self.open_input_file("mini.pdb"), m)
+        with self.open_input_file("mini.pdb") as fh:
+            h = IMP.atom.read_pdb(fh, m)
         s = IMP.atom.Selection(h, hierarchy_types=[IMP.atom.ATOM_TYPE])
         self.assertEqual(len(s.get_selected_particle_indexes()), 68)
         s = IMP.atom.Selection(h, hierarchy_types=[IMP.atom.RESIDUE_TYPE])
@@ -252,7 +260,8 @@ def test_hierarchy_type(self):
     def test_fragment_terminus(self):
         """Test get terminus from fragment"""
         m = IMP.Model()
-        r = IMP.atom.read_pdb(self.open_input_file("mini.pdb"), m)
+        with self.open_input_file("mini.pdb") as fh:
+            r = IMP.atom.read_pdb(fh, m)
         term = IMP.atom.Selection(r,terminus=IMP.atom.Selection.N).get_selected_particles()
 
         # now put in fragments
diff --git a/modules/em/test/expensive_test_fitting_grid_search_pdb.py b/modules/em/test/expensive_test_fitting_grid_search_pdb.py
index f1d8d11064..e7d7f6943d 100644
--- a/modules/em/test/expensive_test_fitting_grid_search_pdb.py
+++ b/modules/em/test/expensive_test_fitting_grid_search_pdb.py
@@ -23,8 +23,9 @@ def load_density_map(self):
 
     def load_protein(self, pdb_filename):
         self.m = IMP.Model()
-        self.mp = IMP.atom.read_pdb(self.open_input_file(pdb_filename),
-                                    self.m, IMP.atom.CAlphaPDBSelector())  # IMP.atom.NonWaterSelector())
+        with self.open_input_file(pdb_filename) as fh:
+            self.mp = IMP.atom.read_pdb(
+                fh, self.m, IMP.atom.CAlphaPDBSelector())
         self.mps = IMP.atom.Hierarchies()
         self.mps.append(self.mp)
         self.weight_key = IMP.FloatKey("weight")
diff --git a/modules/em/test/expensive_test_resample_by_rigid_bodies.py b/modules/em/test/expensive_test_resample_by_rigid_bodies.py
index 78adde6213..de00a8b792 100644
--- a/modules/em/test/expensive_test_resample_by_rigid_bodies.py
+++ b/modules/em/test/expensive_test_resample_by_rigid_bodies.py
@@ -29,11 +29,11 @@ def load_proteins(self):
         self.rbs_of_copy = IMP.core.RigidBodies()  # 3 rigid bodies
         sel = IMP.atom.CAlphaPDBSelector()
         for n, fn in enumerate(fnames):
-            self.mhs.append(IMP.atom.read_pdb(self.open_input_file(fn),
-                                              self.imp_model, sel))
+            with self.open_input_file(fn) as fh:
+                self.mhs.append(IMP.atom.read_pdb(fh, self.imp_model, sel))
             self.mhs[-1].set_name("mol" + str(n))
-            self.mhs_copy.append(IMP.atom.read_pdb(self.open_input_file(fn),
-                                                   self.imp_model, sel))
+            with self.open_input_file(fn) as fh:
+                self.mhs_copy.append(IMP.atom.read_pdb(fh, self.imp_model, sel))
             self.mhs_copy[-1].set_name("mol" + str(n))
             IMP.atom.add_radii(self.mhs[n])
             self.all_ps_copy += IMP.core.get_leaves(self.mhs_copy[-1])
@@ -134,10 +134,8 @@ def _test_fast_local_refinement(self):
         # 3 copies of the molecular hierarchies used later as rigid bodies
         self.mhs_copy = []
         sel = IMP.atom.NonWaterPDBSelector()
-        mh = IMP.atom.read_pdb(
-            self.open_input_file("1atiB01.pdb"),
-            self.imp_model,
-            sel)
+        with self.open_input_file("1atiB01.pdb") as fh:
+            mh = IMP.atom.read_pdb(fh, self.imp_model, sel)
         IMP.atom.add_radii(mh)
         rb = IMP.atom.setup_as_rigid_body(mh)
         ps = IMP.Particles(IMP.core.get_leaves(IMP.atom.Hierarchy(mh)))
diff --git a/modules/em/test/medium_test_correlation_decomposition.py b/modules/em/test/medium_test_correlation_decomposition.py
index 31e9b5e386..2bc7b9cacb 100644
--- a/modules/em/test/medium_test_correlation_decomposition.py
+++ b/modules/em/test/medium_test_correlation_decomposition.py
@@ -28,8 +28,9 @@ def load_proteins(self, pdb_filenames):
         self.leaves_ref = IMP.core.LeavesRefiner(
             IMP.atom.Hierarchy.get_traits())
         for pf in pdb_filenames:
-            self.mhs.append(IMP.atom.read_pdb(self.open_input_file(pf),
-                                              self.imp_model, IMP.atom.CAlphaPDBSelector()))
+            with self.open_input_file(pf) as fh:
+                self.mhs.append(IMP.atom.read_pdb(
+                    fh, self.imp_model, IMP.atom.CAlphaPDBSelector()))
         for mh in self.mhs:
             IMP.atom.add_radii(mh)
             IMP.atom.create_rigid_body(mh)
diff --git a/modules/em/test/medium_test_fitting_of_rigid_bodies.py b/modules/em/test/medium_test_fitting_of_rigid_bodies.py
index afc807ea65..72fdb6d8f8 100644
--- a/modules/em/test/medium_test_fitting_of_rigid_bodies.py
+++ b/modules/em/test/medium_test_fitting_of_rigid_bodies.py
@@ -28,8 +28,9 @@ def load_proteins(self, pdb_filenames):
         self.leaves_ref = IMP.core.LeavesRefiner(
             IMP.atom.Hierarchy.get_traits())
         for pf in pdb_filenames:
-            self.mhs.append(IMP.atom.read_pdb(self.open_input_file(pf),
-                                              self.imp_model, IMP.atom.CAlphaPDBSelector()))
+            with self.open_input_file(pf) as fh:
+                self.mhs.append(IMP.atom.read_pdb(
+                    fh, self.imp_model, IMP.atom.CAlphaPDBSelector()))
         for i, mh in enumerate(self.mhs):
             IMP.atom.add_radii(mh)
             mh.set_name("mol_" + str(i))
diff --git a/modules/em/test/medium_test_local_fitting.py b/modules/em/test/medium_test_local_fitting.py
index bcea265be6..c515c52c5f 100644
--- a/modules/em/test/medium_test_local_fitting.py
+++ b/modules/em/test/medium_test_local_fitting.py
@@ -18,8 +18,9 @@ def sample_density_map(self):
 
     def load_protein(self, pdb_filename):
         self.m = IMP.Model()
-        self.mh = IMP.atom.read_pdb(self.open_input_file(pdb_filename),
-                                    self.m, IMP.atom.CAlphaPDBSelector())
+        with self.open_input_file(pdb_filename) as fh:
+            self.mh = IMP.atom.read_pdb(
+                fh, self.m, IMP.atom.CAlphaPDBSelector())
         self.weight_key = IMP.atom.Mass.get_mass_key()
         IMP.atom.add_radii(self.mh)
         IMP.atom.create_rigid_body(self.mh)
diff --git a/modules/em/test/medium_test_rigid_cc_score_by_grid_rotation.py b/modules/em/test/medium_test_rigid_cc_score_by_grid_rotation.py
index f2a0cbc431..2fac4b69db 100644
--- a/modules/em/test/medium_test_rigid_cc_score_by_grid_rotation.py
+++ b/modules/em/test/medium_test_rigid_cc_score_by_grid_rotation.py
@@ -28,10 +28,12 @@ def load_density_map(self):
         self.scene.set_origin(34.0, 8.0, -92.0)
 
     def load_protein(self, pdb_filename):
-        self.mp = IMP.atom.read_pdb(self.open_input_file(pdb_filename),
-                                    self.imp_model, IMP.atom.CAlphaPDBSelector())
-        self.mp_ref = IMP.atom.read_pdb(self.open_input_file(pdb_filename),
-                                        self.imp_model, IMP.atom.CAlphaPDBSelector())  # IMP.
+        with self.open_input_file(pdb_filename) as fh:
+            self.mp = IMP.atom.read_pdb(
+                fh, self.imp_model, IMP.atom.CAlphaPDBSelector())
+        with self.open_input_file(pdb_filename) as fh:
+            self.mp_ref = IMP.atom.read_pdb(
+                fh, self.imp_model, IMP.atom.CAlphaPDBSelector())
         IMP.atom.add_radii(self.mp)
         self.radius_key = IMP.core.XYZR.get_radius_key()
         self.weight_key = IMP.atom.Mass.get_mass_key()
diff --git a/modules/em/test/test_spacing.py b/modules/em/test/test_spacing.py
index ddc38c773e..7c743f01bb 100644
--- a/modules/em/test/test_spacing.py
+++ b/modules/em/test/test_spacing.py
@@ -18,8 +18,9 @@ def sample_density_map(self):
 
     def load_protein(self, pdb_filename):
         self.m = IMP.Model()
-        self.mh = IMP.atom.read_pdb(self.open_input_file(pdb_filename),
-                                    self.m, IMP.atom.NonWaterNonHydrogenPDBSelector())
+        with self.open_input_file(pdb_filename) as fh:
+            self.mh = IMP.atom.read_pdb(
+                fh, self.m, IMP.atom.NonWaterNonHydrogenPDBSelector())
         self.radius_key = IMP.core.XYZR.get_radius_key()
         self.weight_key = IMP.atom.Mass.get_mass_key()
         IMP.atom.add_radii(self.mh)
diff --git a/modules/kernel/test/test_file.py b/modules/kernel/test/test_file.py
index f67d4de08f..f639353a85 100644
--- a/modules/kernel/test/test_file.py
+++ b/modules/kernel/test/test_file.py
@@ -13,7 +13,8 @@ def test_data_directory(self):
         IMP.set_log_level(IMP.MEMORY)
         v = IMP._test_ifile(self.get_input_file_name("text"))
         self.assertEqual(v, "word")
-        v = IMP._test_ifile(self.open_input_file("text"))
+        with self.open_input_file("text") as fh:
+            v = IMP._test_ifile(fh)
         self.assertEqual(v, "word")
         self.assertRaises(IOError, IMP._test_ifile, "notafile")
         s = BytesIO(b"hi there")
@@ -27,12 +28,12 @@ def test_odata_directory(self):
         IMP.set_log_level(IMP.MEMORY)
         IMP._test_ofile("ofile_test")
         self.assertRaises(IOError, IMP._test_ofile, "nodir/hi")
-        f = open("hi", "w")
-        IMP._test_ofile(f)
+        with open("hi", "w") as f:
+            IMP._test_ofile(f)
         # In Python 3 binary files are handled differently (as raw bytes,
         # not Unicode)
-        f = open("hi", "wb")
-        IMP._test_ofile(f)
+        with open("hi", "wb") as f:
+            IMP._test_ofile(f)
         s = BytesIO()
         IMP._test_ofile(s)
         self.assertTrue(s.getvalue().startswith(b"hi\n"))
diff --git a/modules/kinematics/test/test_protein_kinematics.py b/modules/kinematics/test/test_protein_kinematics.py
index 9f88a80017..c026d90df6 100644
--- a/modules/kinematics/test/test_protein_kinematics.py
+++ b/modules/kinematics/test/test_protein_kinematics.py
@@ -66,7 +66,8 @@ def add_charmm_ff_restraint(self, m, hier):
     '''
     def test_protein_kinematics(self):
         m, hier = self.construct_peptide()
-        #hier = IMP.atom.read_pdb(self.open_input_file("three.pdb"), m)
+        #with self.open_input_file("three.pdb") as fh:
+        #    hier = IMP.atom.read_pdb(fh, m)
         pk = IMP.kinematics.ProteinKinematics(hier)
         pi = 3.1415
 
diff --git a/modules/multifit/test/expensive_test_rigid_fitting_fft.py b/modules/multifit/test/expensive_test_rigid_fitting_fft.py
index 4bc93e6a71..ef29afaba9 100644
--- a/modules/multifit/test/expensive_test_rigid_fitting_fft.py
+++ b/modules/multifit/test/expensive_test_rigid_fitting_fft.py
@@ -20,11 +20,13 @@ def load_density_map(self):
         return scene
 
     def load_protein(self, model, pdb_filename):
-        self.mp = IMP.atom.read_pdb(self.open_input_file(pdb_filename),
-                                    model, IMP.atom.CAlphaPDBSelector())
+        with self.open_input_file(pdb_filename) as fh:
+            self.mp = IMP.atom.read_pdb(fh, model,
+                                        IMP.atom.CAlphaPDBSelector())
         IMP.atom.add_radii(self.mp)
-        self.mp_ref = IMP.atom.read_pdb(self.open_input_file(pdb_filename),
-                                        model, IMP.atom.CAlphaPDBSelector())
+        with self.open_input_file(pdb_filename) as fh:
+            self.mp_ref = IMP.atom.read_pdb(fh, model,
+                                            IMP.atom.CAlphaPDBSelector())
         IMP.atom.add_radii(self.mp_ref)
 
         self.ps = IMP.core.get_leaves(self.mp)
diff --git a/modules/multifit/test/expensive_test_rigid_fitting_pca.py b/modules/multifit/test/expensive_test_rigid_fitting_pca.py
index 60ca9cf666..a226d50d5c 100644
--- a/modules/multifit/test/expensive_test_rigid_fitting_pca.py
+++ b/modules/multifit/test/expensive_test_rigid_fitting_pca.py
@@ -22,11 +22,13 @@ def load_density_map(self):
         self.scene.update_voxel_size(1.5)
 
     def load_protein(self, pdb_filename):
-        self.mp = IMP.atom.read_pdb(self.open_input_file(pdb_filename),
-                                    self.imp_model, IMP.atom.NonWaterPDBSelector())
+        with self.open_input_file(pdb_filename) as fh:
+            self.mp = IMP.atom.read_pdb(fh, self.imp_model,
+                                        IMP.atom.NonWaterPDBSelector())
         IMP.atom.add_radii(self.mp)
-        self.mp_ref = IMP.atom.read_pdb(self.open_input_file(pdb_filename),
-                                        self.imp_model, IMP.atom.NonWaterPDBSelector())
+        with self.open_input_file(pdb_filename) as fh:
+            self.mp_ref = IMP.atom.read_pdb(fh, self.imp_model,
+                                            IMP.atom.NonWaterPDBSelector())
         IMP.atom.add_radii(self.mp_ref)
 
         self.radius_key = IMP.core.XYZR.get_radius_key()
diff --git a/modules/multifit/test/test_add_surface_index.py b/modules/multifit/test/test_add_surface_index.py
index febdf833ed..9e22e85877 100644
--- a/modules/multifit/test/test_add_surface_index.py
+++ b/modules/multifit/test/test_add_surface_index.py
@@ -13,8 +13,9 @@ class Tests(IMP.test.TestCase):
     """Class to test EM correlation restraint"""
 
     def load_protein(self, pdb_filename):
-        self.mp = IMP.atom.read_pdb(self.open_input_file(pdb_filename),
-                                    self.imp_model, IMP.atom.CAlphaPDBSelector())  # IMP.atom.NonWaterSelector())
+        with self.open_input_file(pdb_filename) as fh:
+            self.mp = IMP.atom.read_pdb(fh, self.imp_model,
+                                        IMP.atom.CAlphaPDBSelector())
         IMP.atom.add_radii(self.mp)
         self.radius_key = IMP.core.XYZR.get_radius_key()
         self.weight_key = IMP.atom.Mass.get_mass_key()
diff --git a/modules/multifit/test/test_anchor_graph.py b/modules/multifit/test/test_anchor_graph.py
index 3babc41daf..8740adcaa3 100644
--- a/modules/multifit/test/test_anchor_graph.py
+++ b/modules/multifit/test/test_anchor_graph.py
@@ -13,8 +13,8 @@ class Tests(IMP.test.TestCase):
     """Class to test anchor graph functionalities"""
 
     def load_data(self):
-        self.anchor_graph = load_anchor_graph(
-            self.open_input_file("1z5s_4_anchors.cmm"))
+        with self.open_input_file("1z5s_4_anchors.cmm") as fh:
+            self.anchor_graph = load_anchor_graph(fh)
 
     def setUp(self):
         """Build test model and optimizer"""
diff --git a/modules/multifit/test/test_hit_map.py b/modules/multifit/test/test_hit_map.py
index e66b9af448..8b235b49a1 100644
--- a/modules/multifit/test/test_hit_map.py
+++ b/modules/multifit/test/test_hit_map.py
@@ -15,8 +15,8 @@ def read_data(self):
         mrw = IMP.em.MRCReaderWriter()
         scene = IMP.em.read_map(self.get_input_file_name("3points.mrc"), mrw)
         scene.get_header_writable().set_resolution(8.)
-        mp = IMP.atom.read_pdb(self.open_input_file("3points.pdb"),
-                               model, IMP.atom.CAlphaPDBSelector())
+        with self.open_input_file("3points.pdb") as fh:
+            mp = IMP.atom.read_pdb(fh, model, IMP.atom.CAlphaPDBSelector())
         rb = IMP.atom.create_rigid_body(mp)
         ref = IMP.multifit.RigidLeavesRefiner()
         return model, rb, ref, scene

From 9e39e91182eeeb1598974ff6d5b8dda2aa9f2496 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 13 Jul 2021 16:59:42 -0700
Subject: [PATCH 061/250] Add mmCIF support to SAXS tools and FoXS

All SAXS tools such as compute_rg and foxs should
now accept either PDB or mmCIF files for input
structures.
---
 ChangeLog.md                         |    2 +
 modules/foxs/test/input/6lyz.cif     | 1167 ++++++++++++++++++++++++++
 modules/foxs/test/test_saxs.py       |   16 +
 modules/saxs/include/utility.h       |    2 +-
 modules/saxs/src/utility.cpp         |   10 +-
 modules/saxs/test/input/6lyz.cif     | 1167 ++++++++++++++++++++++++++
 modules/saxs/test/test_saxs_tools.py |   15 +
 7 files changed, 2373 insertions(+), 6 deletions(-)
 create mode 100644 modules/foxs/test/input/6lyz.cif
 create mode 100644 modules/saxs/test/input/6lyz.cif

diff --git a/ChangeLog.md b/ChangeLog.md
index b8aaf3cc36..65c33ed191 100644
--- a/ChangeLog.md
+++ b/ChangeLog.md
@@ -4,6 +4,8 @@ ChangeLog {#changelog}
 # HEAD
 - OpenCubicSpline now throws a ValueException for out-of-range values, to
   be consistent with ClosedCubicSpline (previously it threw ModelException).
+- SAXS tools (such as `compute_rg`, `foxs`) can now read input structures
+  in mmCIF format.
 - The deprecated methods
   IMP::{Singleton,Pair,Triplet,Quad}Predicate::get_value() have been removed.
   Use the get_value_index() methods instead.
diff --git a/modules/foxs/test/input/6lyz.cif b/modules/foxs/test/input/6lyz.cif
new file mode 100644
index 0000000000..67911283ac
--- /dev/null
+++ b/modules/foxs/test/input/6lyz.cif
@@ -0,0 +1,1167 @@
+data_model
+#
+_exptl.method 'model, MODELLER Version SVN 2021/07/13 16:51:29'
+#
+_modeller.version SVN
+#
+loop_
+_struct_asym.id
+_struct_asym.entity_id
+_struct_asym.details
+A 1 ?
+#
+loop_
+_entity_poly_seq.entity_id
+_entity_poly_seq.num
+_entity_poly_seq.mon_id
+1 1 LYS
+1 2 VAL
+1 3 PHE
+1 4 GLY
+1 5 ARG
+1 6 CYS
+1 7 GLU
+1 8 LEU
+1 9 ALA
+1 10 ALA
+1 11 ALA
+1 12 MET
+1 13 LYS
+1 14 ARG
+1 15 HIS
+1 16 GLY
+1 17 LEU
+1 18 ASP
+1 19 ASN
+1 20 TYR
+1 21 ARG
+1 22 GLY
+1 23 TYR
+1 24 SER
+1 25 LEU
+1 26 GLY
+1 27 ASN
+1 28 TRP
+1 29 VAL
+1 30 CYS
+1 31 ALA
+1 32 ALA
+1 33 LYS
+1 34 PHE
+1 35 GLU
+1 36 SER
+1 37 ASN
+1 38 PHE
+1 39 ASN
+1 40 THR
+1 41 GLN
+1 42 ALA
+1 43 THR
+1 44 ASN
+1 45 ARG
+1 46 ASN
+1 47 THR
+1 48 ASP
+1 49 GLY
+1 50 SER
+1 51 THR
+1 52 ASP
+1 53 TYR
+1 54 GLY
+1 55 ILE
+1 56 LEU
+1 57 GLN
+1 58 ILE
+1 59 ASN
+1 60 SER
+1 61 ARG
+1 62 TRP
+1 63 TRP
+1 64 CYS
+1 65 ASN
+1 66 ASP
+1 67 GLY
+1 68 ARG
+1 69 THR
+1 70 PRO
+1 71 GLY
+1 72 SER
+1 73 ARG
+1 74 ASN
+1 75 LEU
+1 76 CYS
+1 77 ASN
+1 78 ILE
+1 79 PRO
+1 80 CYS
+1 81 SER
+1 82 ALA
+1 83 LEU
+1 84 LEU
+1 85 SER
+1 86 SER
+1 87 ASP
+1 88 ILE
+1 89 THR
+1 90 ALA
+1 91 SER
+1 92 VAL
+1 93 ASN
+1 94 CYS
+1 95 ALA
+1 96 LYS
+1 97 LYS
+1 98 ILE
+1 99 VAL
+1 100 SER
+1 101 ASP
+1 102 GLY
+1 103 ASN
+1 104 GLY
+1 105 MET
+1 106 ASN
+1 107 ALA
+1 108 TRP
+1 109 VAL
+1 110 ALA
+1 111 TRP
+1 112 ARG
+1 113 ASN
+1 114 ARG
+1 115 CYS
+1 116 LYS
+1 117 GLY
+1 118 THR
+1 119 ASP
+1 120 VAL
+1 121 GLN
+1 122 ALA
+1 123 TRP
+1 124 ILE
+1 125 ARG
+1 126 GLY
+1 127 CYS
+1 128 ARG
+1 129 LEU
+#
+_refine.ls_d_res_high   2.000
+loop_
+_atom_site.group_PDB
+_atom_site.type_symbol
+_atom_site.label_atom_id
+_atom_site.label_alt_id
+_atom_site.label_comp_id
+_atom_site.label_asym_id
+_atom_site.auth_asym_id
+_atom_site.label_seq_id
+_atom_site.auth_seq_id
+_atom_site.pdbx_PDB_ins_code
+_atom_site.Cartn_x
+_atom_site.Cartn_y
+_atom_site.Cartn_z
+_atom_site.occupancy
+_atom_site.B_iso_or_equiv
+_atom_site.label_entity_id
+_atom_site.id
+_atom_site.pdbx_PDB_model_num
+ATOM N N . LYS A A 1 1 ? 3.287 10.092 10.329 1.000 5.890 1 1 1
+ATOM C CA . LYS A A 1 1 ? 2.445 10.457 9.182 1.000 8.160 1 2 1
+ATOM C C . LYS A A 1 1 ? 2.500 11.978 9.038 1.000 8.040 1 3 1
+ATOM O O . LYS A A 1 1 ? 2.588 12.719 10.041 1.000 7.070 1 4 1
+ATOM C CB . LYS A A 1 1 ? 1.006 9.995 9.385 1.000 3.880 1 5 1
+ATOM C CG . LYS A A 1 1 ? 0.016 10.546 8.377 1.000 3.810 1 6 1
+ATOM C CD . LYS A A 1 1 ? -1.404 10.093 8.699 1.000 2.910 1 7 1
+ATOM C CE . LYS A A 1 1 ? -2.269 10.030 7.451 1.000 3.970 1 8 1
+ATOM N NZ . LYS A A 1 1 ? -3.559 9.362 7.735 1.000 2.080 1 9 1
+ATOM N N . VAL A A 2 2 ? 2.441 12.404 7.789 1.000 8.750 1 10 1
+ATOM C CA . VAL A A 2 2 ? 2.396 13.826 7.425 1.000 9.160 1 11 1
+ATOM C C . VAL A A 2 2 ? 1.003 14.071 6.846 1.000 6.430 1 12 1
+ATOM O O . VAL A A 2 2 ? 0.719 13.722 5.679 1.000 4.910 1 13 1
+ATOM C CB . VAL A A 2 2 ? 3.509 14.142 6.435 1.000 7.060 1 14 1
+ATOM C CG1 . VAL A A 2 2 ? 3.490 15.586 5.874 1.000 6.530 1 15 1
+ATOM C CG2 . VAL A A 2 2 ? 4.864 13.746 6.959 1.000 6.530 1 16 1
+ATOM N N . PHE A A 3 3 ? 0.170 14.674 7.679 1.000 4.250 1 17 1
+ATOM C CA . PHE A A 3 3 ? -1.200 15.052 7.311 1.000 7.490 1 18 1
+ATOM C C . PHE A A 3 3 ? -1.320 16.157 6.264 1.000 9.110 1 19 1
+ATOM O O . PHE A A 3 3 ? -0.422 17.016 6.128 1.000 9.900 1 20 1
+ATOM C CB . PHE A A 3 3 ? -1.944 15.502 8.553 1.000 6.650 1 21 1
+ATOM C CG . PHE A A 3 3 ? -2.576 14.509 9.484 1.000 6.920 1 22 1
+ATOM C CD1 . PHE A A 3 3 ? -3.879 14.182 9.312 1.000 5.760 1 23 1
+ATOM C CD2 . PHE A A 3 3 ? -1.854 13.862 10.454 1.000 5.120 1 24 1
+ATOM C CE1 . PHE A A 3 3 ? -4.533 13.235 10.153 1.000 6.100 1 25 1
+ATOM C CE2 . PHE A A 3 3 ? -2.511 12.876 11.267 1.000 7.790 1 26 1
+ATOM C CZ . PHE A A 3 3 ? -3.823 12.611 11.125 1.000 6.200 1 27 1
+ATOM N N . GLY A A 4 4 ? -2.434 16.109 5.552 1.000 6.260 1 28 1
+ATOM C CA . GLY A A 4 4 ? -2.797 17.128 4.559 1.000 3.250 1 29 1
+ATOM C C . GLY A A 4 4 ? -3.512 18.199 5.385 1.000 8.370 1 30 1
+ATOM O O . GLY A A 4 4 ? -4.153 17.897 6.414 1.000 7.030 1 31 1
+ATOM N N . ARG A A 5 5 ? -3.384 19.426 4.904 1.000 5.920 1 32 1
+ATOM C CA . ARG A A 5 5 ? -3.979 20.606 5.546 1.000 9.920 1 33 1
+ATOM C C . ARG A A 5 5 ? -5.429 20.277 5.903 1.000 6.900 1 34 1
+ATOM O O . ARG A A 5 5 ? -5.819 20.286 7.091 1.000 6.480 1 35 1
+ATOM C CB . ARG A A 5 5 ? -3.936 21.832 4.613 1.000 5.720 1 36 1
+ATOM C CG . ARG A A 5 5 ? -4.776 23.030 5.096 1.000 5.850 1 37 1
+ATOM C CD . ARG A A 5 5 ? -4.600 24.202 4.151 1.000 4.800 1 38 1
+ATOM N NE . ARG A A 5 5 ? -5.720 24.288 3.199 1.000 7.540 1 39 1
+ATOM C CZ . ARG A A 5 5 ? -6.899 24.879 3.491 1.000 2.100 1 40 1
+ATOM N NH1 . ARG A A 5 5 ? -7.401 24.838 4.733 1.000 4.850 1 41 1
+ATOM N NH2 . ARG A A 5 5 ? -7.553 25.508 2.531 1.000 4.850 1 42 1
+ATOM N N . CYS A A 6 6 ? -6.190 19.989 4.859 1.000 4.100 1 43 1
+ATOM C CA . CYS A A 6 6 ? -7.588 19.557 4.979 1.000 7.380 1 44 1
+ATOM C C . CYS A A 6 6 ? -7.979 18.286 5.734 1.000 7.850 1 45 1
+ATOM O O . CYS A A 6 6 ? -9.009 18.248 6.442 1.000 3.090 1 46 1
+ATOM C CB . CYS A A 6 6 ? -8.281 19.722 3.493 1.000 8.090 1 47 1
+ATOM S SG . CYS A A 6 6 ? -9.062 21.202 2.777 1.000 9.870 1 48 1
+ATOM N N . GLU A A 7 7 ? -7.139 17.278 5.565 1.000 8.510 1 49 1
+ATOM C CA . GLU A A 7 7 ? -7.298 15.981 6.233 1.000 8.020 1 50 1
+ATOM C C . GLU A A 7 7 ? -7.220 16.067 7.758 1.000 8.570 1 51 1
+ATOM O O . GLU A A 7 7 ? -8.010 15.426 8.481 1.000 3.390 1 52 1
+ATOM C CB . GLU A A 7 7 ? -6.197 14.974 5.798 1.000 6.730 1 53 1
+ATOM C CG . GLU A A 7 7 ? -6.331 13.531 6.327 1.000 5.420 1 54 1
+ATOM C CD . GLU A A 7 7 ? -5.109 12.590 6.005 1.000 3.740 1 55 1
+ATOM O OE1 . GLU A A 7 7 ? -4.252 13.263 5.433 1.000 5.010 1 56 1
+ATOM O OE2 . GLU A A 7 7 ? -5.112 11.432 6.299 1.000 5.010 1 57 1
+ATOM N N . LEU A A 8 8 ? -6.267 16.871 8.205 1.000 8.390 1 58 1
+ATOM C CA . LEU A A 8 8 ? -6.065 17.161 9.628 1.000 9.110 1 59 1
+ATOM C C . LEU A A 8 8 ? -7.166 18.027 10.242 1.000 11.920 1 60 1
+ATOM O O . LEU A A 8 8 ? -7.585 17.812 11.399 1.000 7.920 1 61 1
+ATOM C CB . LEU A A 8 8 ? -4.721 17.886 9.834 1.000 8.410 1 62 1
+ATOM C CG . LEU A A 8 8 ? -4.366 18.337 11.235 1.000 5.230 1 63 1
+ATOM C CD1 . LEU A A 8 8 ? -4.134 17.129 12.110 1.000 4.960 1 64 1
+ATOM C CD2 . LEU A A 8 8 ? -3.132 19.205 11.216 1.000 4.960 1 65 1
+ATOM N N . ALA A A 9 9 ? -7.610 18.984 9.442 1.000 8.160 1 66 1
+ATOM C CA . ALA A A 9 9 ? -8.681 19.915 9.821 1.000 6.940 1 67 1
+ATOM C C . ALA A A 9 9 ? -9.827 18.969 10.168 1.000 7.380 1 68 1
+ATOM O O . ALA A A 9 9 ? -10.361 18.990 11.298 1.000 5.520 1 69 1
+ATOM C CB . ALA A A 9 9 ? -9.164 20.763 8.633 1.000 5.530 1 70 1
+ATOM N N . ALA A A 10 10 ? -10.175 18.158 9.181 1.000 7.040 1 71 1
+ATOM C CA . ALA A A 10 10 ? -11.227 17.143 9.311 1.000 7.960 1 72 1
+ATOM C C . ALA A A 10 10 ? -11.176 16.305 10.589 1.000 7.350 1 73 1
+ATOM O O . ALA A A 10 10 ? -12.198 16.134 11.289 1.000 4.770 1 74 1
+ATOM C CB . ALA A A 10 10 ? -11.035 16.160 8.147 1.000 3.870 1 75 1
+ATOM N N . ALA A A 11 11 ? -9.980 15.811 10.862 1.000 11.080 1 76 1
+ATOM C CA . ALA A A 11 11 ? -9.710 14.962 12.030 1.000 12.720 1 77 1
+ATOM C C . ALA A A 11 11 ? -9.785 15.588 13.423 1.000 5.130 1 78 1
+ATOM O O . ALA A A 11 11 ? -10.251 14.950 14.392 1.000 7.190 1 79 1
+ATOM C CB . ALA A A 11 11 ? -8.262 14.485 11.851 1.000 7.110 1 80 1
+ATOM N N . MET A A 12 12 ? -9.329 16.826 13.485 1.000 8.970 1 81 1
+ATOM C CA . MET A A 12 12 ? -9.312 17.616 14.723 1.000 9.030 1 82 1
+ATOM C C . MET A A 12 12 ? -10.756 17.953 15.082 1.000 7.300 1 83 1
+ATOM O O . MET A A 12 12 ? -11.133 17.990 16.273 1.000 5.400 1 84 1
+ATOM C CB . MET A A 12 12 ? -8.477 18.904 14.518 1.000 9.070 1 85 1
+ATOM C CG . MET A A 12 12 ? -6.997 18.590 14.466 1.000 6.160 1 86 1
+ATOM S SD . MET A A 12 12 ? -6.008 20.077 14.384 1.000 13.340 1 87 1
+ATOM C CE . MET A A 12 12 ? -6.223 20.649 16.046 1.000 2.480 1 88 1
+ATOM N N . LYS A A 13 13 ? -11.532 18.187 14.036 1.000 7.030 1 89 1
+ATOM C CA . LYS A A 13 13 ? -12.968 18.474 14.148 1.000 5.870 1 90 1
+ATOM C C . LYS A A 13 13 ? -13.675 17.265 14.762 1.000 7.750 1 91 1
+ATOM O O . LYS A A 13 13 ? -14.398 17.386 15.774 1.000 11.400 1 92 1
+ATOM C CB . LYS A A 13 13 ? -13.578 18.782 12.785 1.000 9.060 1 93 1
+ATOM C CG . LYS A A 13 13 ? -14.585 19.917 12.784 1.000 1.970 1 94 1
+ATOM C CD . LYS A A 13 13 ? -15.649 19.703 11.711 1.000 4.380 1 95 1
+ATOM C CE . LYS A A 13 13 ? -16.990 20.284 12.131 1.000 7.610 1 96 1
+ATOM N NZ . LYS A A 13 13 ? -18.063 19.857 11.205 1.000 3.210 1 97 1
+ATOM N N . ARG A A 14 14 ? -13.442 16.126 14.130 1.000 4.700 1 98 1
+ATOM C CA . ARG A A 14 14 ? -14.069 14.856 14.511 1.000 5.290 1 99 1
+ATOM C C . ARG A A 14 14 ? -13.738 14.623 15.986 1.000 3.620 1 100 1
+ATOM O O . ARG A A 14 14 ? -14.578 14.120 16.763 1.000 6.440 1 101 1
+ATOM C CB . ARG A A 14 14 ? -13.543 13.693 13.646 1.000 4.140 1 102 1
+ATOM C CG . ARG A A 14 14 ? -14.603 12.632 13.292 1.000 2.510 1 103 1
+ATOM C CD . ARG A A 14 14 ? -14.529 11.475 14.269 1.000 6.090 1 104 1
+ATOM N NE . ARG A A 14 14 ? -13.260 10.743 14.128 1.000 2.950 1 105 1
+ATOM C CZ . ARG A A 14 14 ? -12.936 9.668 14.879 1.000 5.570 1 106 1
+ATOM N NH1 . ARG A A 14 14 ? -13.592 9.402 16.018 1.000 4.030 1 107 1
+ATOM N NH2 . ARG A A 14 14 ? -11.963 8.873 14.472 1.000 4.030 1 108 1
+ATOM N N . HIS A A 15 15 ? -12.517 15.001 16.333 1.000 6.420 1 109 1
+ATOM C CA . HIS A A 15 15 ? -12.027 14.963 17.717 1.000 5.250 1 110 1
+ATOM C C . HIS A A 15 15 ? -12.439 16.053 18.704 1.000 7.840 1 111 1
+ATOM O O . HIS A A 15 15 ? -11.863 16.176 19.807 1.000 3.930 1 112 1
+ATOM C CB . HIS A A 15 15 ? -10.500 14.983 17.698 1.000 5.380 1 113 1
+ATOM C CG . HIS A A 15 15 ? -10.099 13.531 17.614 1.000 6.730 1 114 1
+ATOM N ND1 . HIS A A 15 15 ? -9.925 12.883 16.401 1.000 5.160 1 115 1
+ATOM C CD2 . HIS A A 15 15 ? -9.867 12.602 18.576 1.000 6.160 1 116 1
+ATOM C CE1 . HIS A A 15 15 ? -9.607 11.625 16.639 1.000 4.830 1 117 1
+ATOM N NE2 . HIS A A 15 15 ? -9.545 11.445 17.939 1.000 5.500 1 118 1
+ATOM N N . GLY A A 16 16 ? -13.435 16.816 18.281 1.000 7.580 1 119 1
+ATOM C CA . GLY A A 16 16 ? -14.018 17.896 19.087 1.000 2.070 1 120 1
+ATOM C C . GLY A A 16 16 ? -13.264 19.180 19.436 1.000 5.740 1 121 1
+ATOM O O . GLY A A 16 16 ? -13.628 19.904 20.388 1.000 5.970 1 122 1
+ATOM N N . LEU A A 17 17 ? -12.229 19.430 18.649 1.000 8.860 1 123 1
+ATOM C CA . LEU A A 17 17 ? -11.404 20.640 18.766 1.000 7.330 1 124 1
+ATOM C C . LEU A A 17 17 ? -11.808 21.993 18.180 1.000 8.840 1 125 1
+ATOM O O . LEU A A 17 17 ? -11.257 23.050 18.558 1.000 7.070 1 126 1
+ATOM C CB . LEU A A 17 17 ? -10.022 20.399 18.129 1.000 6.460 1 127 1
+ATOM C CG . LEU A A 17 17 ? -8.921 19.855 19.012 1.000 8.470 1 128 1
+ATOM C CD1 . LEU A A 17 17 ? -7.645 19.743 18.212 1.000 4.230 1 129 1
+ATOM C CD2 . LEU A A 17 17 ? -8.705 20.753 20.205 1.000 4.230 1 130 1
+ATOM N N . ASP A A 18 18 ? -12.769 21.924 17.272 1.000 8.880 1 131 1
+ATOM C CA . ASP A A 18 18 ? -13.365 23.109 16.641 1.000 5.310 1 132 1
+ATOM C C . ASP A A 18 18 ? -14.011 23.782 17.854 1.000 8.680 1 133 1
+ATOM O O . ASP A A 18 18 ? -14.854 23.178 18.553 1.000 5.170 1 134 1
+ATOM C CB . ASP A A 18 18 ? -14.345 22.666 15.532 1.000 5.620 1 135 1
+ATOM C CG . ASP A A 18 18 ? -14.876 23.849 14.764 1.000 3.490 1 136 1
+ATOM O OD1 . ASP A A 18 18 ? -14.236 24.851 14.498 1.000 2.140 1 137 1
+ATOM O OD2 . ASP A A 18 18 ? -15.998 23.736 14.352 1.000 2.140 1 138 1
+ATOM N N . ASN A A 19 19 ? -13.599 25.023 18.067 1.000 2.910 1 139 1
+ATOM C CA . ASN A A 19 19 ? -14.080 25.848 19.183 1.000 5.630 1 140 1
+ATOM C C . ASN A A 19 19 ? -13.907 25.450 20.649 1.000 10.550 1 141 1
+ATOM O O . ASN A A 19 19 ? -14.552 26.022 21.553 1.000 3.450 1 142 1
+ATOM C CB . ASN A A 19 19 ? -15.602 26.068 19.046 1.000 4.150 1 143 1
+ATOM C CG . ASN A A 19 19 ? -15.929 26.923 17.849 1.000 3.820 1 144 1
+ATOM O OD1 . ASN A A 19 19 ? -15.310 28.166 17.816 1.000 2.460 1 145 1
+ATOM N ND2 . ASN A A 19 19 ? -16.720 26.622 16.972 1.000 2.460 1 146 1
+ATOM N N . TYR A A 20 20 ? -13.032 24.476 20.845 1.000 8.020 1 147 1
+ATOM C CA . TYR A A 20 20 ? -12.724 23.927 22.172 1.000 4.630 1 148 1
+ATOM C C . TYR A A 20 20 ? -12.155 25.198 22.804 1.000 10.400 1 149 1
+ATOM O O . TYR A A 20 20 ? -11.274 25.868 22.223 1.000 5.120 1 150 1
+ATOM C CB . TYR A A 20 20 ? -11.765 22.735 22.006 1.000 6.490 1 151 1
+ATOM C CG . TYR A A 20 20 ? -11.572 22.207 23.435 1.000 7.810 1 152 1
+ATOM C CD1 . TYR A A 20 20 ? -12.603 21.432 23.998 1.000 3.620 1 153 1
+ATOM C CD2 . TYR A A 20 20 ? -10.471 22.536 24.179 1.000 5.410 1 154 1
+ATOM C CE1 . TYR A A 20 20 ? -12.436 20.936 25.358 1.000 4.650 1 155 1
+ATOM C CE2 . TYR A A 20 20 ? -10.298 22.057 25.513 1.000 3.820 1 156 1
+ATOM C CZ . TYR A A 20 20 ? -11.337 21.291 26.058 1.000 3.620 1 157 1
+ATOM O OH . TYR A A 20 20 ? -11.189 20.843 27.354 1.000 7.770 1 158 1
+ATOM N N . ARG A A 21 21 ? -12.673 25.493 23.987 1.000 8.370 1 159 1
+ATOM C CA . ARG A A 21 21 ? -12.261 26.661 24.776 1.000 5.840 1 160 1
+ATOM C C . ARG A A 21 21 ? -12.277 28.006 24.048 1.000 6.470 1 161 1
+ATOM O O . ARG A A 21 21 ? -11.682 29.000 24.518 1.000 8.330 1 162 1
+ATOM C CB . ARG A A 21 21 ? -10.823 26.497 25.309 1.000 4.730 1 163 1
+ATOM C CG . ARG A A 21 21 ? -10.717 25.690 26.617 1.000 5.830 1 164 1
+ATOM C CD . ARG A A 21 21 ? -11.771 26.155 27.602 1.000 4.500 1 165 1
+ATOM N NE . ARG A A 21 21 ? -11.453 25.706 28.967 1.000 2.410 1 166 1
+ATOM C CZ . ARG A A 21 21 ? -10.858 26.496 29.888 1.000 4.490 1 167 1
+ATOM N NH1 . ARG A A 21 21 ? -10.400 27.712 29.558 1.000 3.530 1 168 1
+ATOM N NH2 . ARG A A 21 21 ? -10.740 26.055 31.127 1.000 3.530 1 169 1
+ATOM N N . GLY A A 22 22 ? -12.965 28.001 22.918 1.000 8.360 1 170 1
+ATOM C CA . GLY A A 22 22 ? -13.140 29.194 22.079 1.000 6.980 1 171 1
+ATOM C C . GLY A A 22 22 ? -12.179 29.513 20.934 1.000 7.650 1 172 1
+ATOM O O . GLY A A 22 22 ? -12.180 30.635 20.384 1.000 6.830 1 173 1
+ATOM N N . TYR A A 23 23 ? -11.383 28.508 20.602 1.000 5.840 1 174 1
+ATOM C CA . TYR A A 23 23 ? -10.435 28.571 19.482 1.000 8.420 1 175 1
+ATOM C C . TYR A A 23 23 ? -11.080 27.843 18.302 1.000 8.790 1 176 1
+ATOM O O . TYR A A 23 23 ? -11.314 26.616 18.351 1.000 8.210 1 177 1
+ATOM C CB . TYR A A 23 23 ? -9.108 27.933 19.921 1.000 6.570 1 178 1
+ATOM C CG . TYR A A 23 23 ? -8.475 28.799 21.020 1.000 8.040 1 179 1
+ATOM C CD1 . TYR A A 23 23 ? -7.776 29.955 20.628 1.000 5.750 1 180 1
+ATOM C CD2 . TYR A A 23 23 ? -8.515 28.428 22.336 1.000 6.170 1 181 1
+ATOM C CE1 . TYR A A 23 23 ? -7.162 30.779 21.662 1.000 7.270 1 182 1
+ATOM C CE2 . TYR A A 23 23 ? -7.915 29.227 23.357 1.000 7.040 1 183 1
+ATOM C CZ . TYR A A 23 23 ? -7.220 30.373 22.948 1.000 6.190 1 184 1
+ATOM O OH . TYR A A 23 23 ? -6.617 31.138 23.924 1.000 8.330 1 185 1
+ATOM N N . SER A A 24 24 ? -11.345 28.624 17.266 1.000 6.790 1 186 1
+ATOM C CA . SER A A 24 24 ? -11.779 28.107 15.961 1.000 6.760 1 187 1
+ATOM C C . SER A A 24 24 ? -10.834 27.005 15.482 1.000 7.900 1 188 1
+ATOM O O . SER A A 24 24 ? -9.632 26.991 15.825 1.000 4.410 1 189 1
+ATOM C CB . SER A A 24 24 ? -11.808 29.220 14.937 1.000 6.050 1 190 1
+ATOM O OG . SER A A 24 24 ? -10.798 29.060 13.944 1.000 6.360 1 191 1
+ATOM N N . LEU A A 25 25 ? -11.406 26.110 14.692 1.000 9.580 1 192 1
+ATOM C CA . LEU A A 25 25 ? -10.673 24.992 14.084 1.000 5.230 1 193 1
+ATOM C C . LEU A A 25 25 ? -9.360 25.444 13.450 1.000 8.560 1 194 1
+ATOM O O . LEU A A 25 25 ? -8.315 24.771 13.585 1.000 5.580 1 195 1
+ATOM C CB . LEU A A 25 25 ? -11.540 24.319 13.002 1.000 7.090 1 196 1
+ATOM C CG . LEU A A 25 25 ? -11.381 22.827 12.790 1.000 8.080 1 197 1
+ATOM C CD1 . LEU A A 25 25 ? -12.160 22.405 11.567 1.000 5.220 1 198 1
+ATOM C CD2 . LEU A A 25 25 ? -9.924 22.468 12.620 1.000 5.220 1 199 1
+ATOM N N . GLY A A 26 26 ? -9.445 26.582 12.775 1.000 6.380 1 200 1
+ATOM C CA . GLY A A 26 26 ? -8.312 27.181 12.063 1.000 10.460 1 201 1
+ATOM C C . GLY A A 26 26 ? -7.108 27.500 12.950 1.000 4.010 1 202 1
+ATOM O O . GLY A A 26 26 ? -5.941 27.389 12.517 1.000 8.480 1 203 1
+ATOM N N . ASN A A 27 27 ? -7.428 27.884 14.175 1.000 10.780 1 204 1
+ATOM C CA . ASN A A 27 27 ? -6.430 28.273 15.179 1.000 6.390 1 205 1
+ATOM C C . ASN A A 27 27 ? -5.537 27.059 15.431 1.000 7.810 1 206 1
+ATOM O O . ASN A A 27 27 ? -4.313 27.191 15.646 1.000 7.140 1 207 1
+ATOM C CB . ASN A A 27 27 ? -7.147 28.740 16.462 1.000 6.980 1 208 1
+ATOM C CG . ASN A A 27 27 ? -7.357 30.231 16.463 1.000 7.450 1 209 1
+ATOM O OD1 . ASN A A 27 27 ? -6.209 30.997 16.609 1.000 7.950 1 210 1
+ATOM N ND2 . ASN A A 27 27 ? -8.442 30.780 16.404 1.000 7.950 1 211 1
+ATOM N N . TRP A A 28 28 ? -6.177 25.902 15.390 1.000 10.070 1 212 1
+ATOM C CA . TRP A A 28 28 ? -5.505 24.609 15.559 1.000 9.130 1 213 1
+ATOM C C . TRP A A 28 28 ? -4.665 23.983 14.446 1.000 8.180 1 214 1
+ATOM O O . TRP A A 28 28 ? -3.612 23.361 14.704 1.000 8.370 1 215 1
+ATOM C CB . TRP A A 28 28 ? -6.554 23.555 15.908 1.000 7.060 1 216 1
+ATOM C CG . TRP A A 28 28 ? -7.269 23.840 17.280 1.000 6.170 1 217 1
+ATOM C CD1 . TRP A A 28 28 ? -8.523 24.250 17.513 1.000 5.800 1 218 1
+ATOM C CD2 . TRP A A 28 28 ? -6.706 23.650 18.543 1.000 5.290 1 219 1
+ATOM N NE1 . TRP A A 28 28 ? -8.732 24.396 18.940 1.000 8.430 1 220 1
+ATOM C CE2 . TRP A A 28 28 ? -7.674 23.999 19.529 1.000 6.790 1 221 1
+ATOM C CE3 . TRP A A 28 28 ? -5.464 23.219 18.944 1.000 8.140 1 222 1
+ATOM C CZ2 . TRP A A 28 28 ? -7.476 23.935 20.910 1.000 6.380 1 223 1
+ATOM C CZ3 . TRP A A 28 28 ? -5.270 23.172 20.340 1.000 5.520 1 224 1
+ATOM C CH2 . TRP A A 28 28 ? -6.247 23.476 21.275 1.000 3.750 1 225 1
+ATOM N N . VAL A A 29 29 ? -5.154 24.171 13.232 1.000 10.450 1 226 1
+ATOM C CA . VAL A A 29 29 ? -4.492 23.682 12.017 1.000 5.010 1 227 1
+ATOM C C . VAL A A 29 29 ? -3.253 24.561 11.843 1.000 8.460 1 228 1
+ATOM O O . VAL A A 29 29 ? -2.171 24.079 11.444 1.000 9.720 1 229 1
+ATOM C CB . VAL A A 29 29 ? -5.451 23.767 10.838 1.000 6.830 1 230 1
+ATOM C CG1 . VAL A A 29 29 ? -4.805 23.514 9.455 1.000 7.130 1 231 1
+ATOM C CG2 . VAL A A 29 29 ? -6.688 22.937 11.054 1.000 7.130 1 232 1
+ATOM N N . CYS A A 30 30 ? -3.446 25.833 12.153 1.000 8.740 1 233 1
+ATOM C CA . CYS A A 30 30 ? -2.402 26.857 12.026 1.000 5.640 1 234 1
+ATOM C C . CYS A A 30 30 ? -1.220 26.541 12.944 1.000 6.380 1 235 1
+ATOM O O . CYS A A 30 30 ? -0.052 26.500 12.500 1.000 9.030 1 236 1
+ATOM C CB . CYS A A 30 30 ? -2.789 28.170 12.105 1.000 6.760 1 237 1
+ATOM S SG . CYS A A 30 30 ? -1.561 29.508 11.989 1.000 19.880 1 238 1
+ATOM N N . ALA A A 31 31 ? -1.560 26.319 14.203 1.000 8.620 1 239 1
+ATOM C CA . ALA A A 31 31 ? -0.578 26.085 15.269 1.000 5.980 1 240 1
+ATOM C C . ALA A A 31 31 ? 0.250 24.868 14.857 1.000 5.350 1 241 1
+ATOM O O . ALA A A 31 31 ? 1.495 24.865 14.970 1.000 7.600 1 242 1
+ATOM C CB . ALA A A 31 31 ? -1.290 25.699 16.574 1.000 8.350 1 243 1
+ATOM N N . ALA A A 32 32 ? -0.468 23.864 14.383 1.000 11.370 1 244 1
+ATOM C CA . ALA A A 32 32 ? 0.120 22.587 13.962 1.000 6.170 1 245 1
+ATOM C C . ALA A A 32 32 ? 1.052 22.617 12.751 1.000 8.440 1 246 1
+ATOM O O . ALA A A 32 32 ? 2.038 21.851 12.676 1.000 5.840 1 247 1
+ATOM C CB . ALA A A 32 32 ? -1.064 21.690 13.572 1.000 4.220 1 248 1
+ATOM N N . LYS A A 33 33 ? 0.716 23.508 11.834 1.000 10.590 1 249 1
+ATOM C CA . LYS A A 33 33 ? 1.476 23.709 10.595 1.000 6.520 1 250 1
+ATOM C C . LYS A A 33 33 ? 2.877 24.208 10.953 1.000 8.230 1 251 1
+ATOM O O . LYS A A 33 33 ? 3.895 23.565 10.619 1.000 6.230 1 252 1
+ATOM C CB . LYS A A 33 33 ? 0.788 24.719 9.685 1.000 5.000 1 253 1
+ATOM C CG . LYS A A 33 33 ? 1.691 25.351 8.643 1.000 6.880 1 254 1
+ATOM C CD . LYS A A 33 33 ? 2.002 24.369 7.523 1.000 7.880 1 255 1
+ATOM C CE . LYS A A 33 33 ? 2.857 25.009 6.441 1.000 5.130 1 256 1
+ATOM N NZ . LYS A A 33 33 ? 3.367 23.989 5.500 1.000 5.800 1 257 1
+ATOM N N . PHE A A 34 34 ? 2.888 25.345 11.630 1.000 7.380 1 258 1
+ATOM C CA . PHE A A 34 34 ? 4.120 25.982 12.108 1.000 6.800 1 259 1
+ATOM C C . PHE A A 34 34 ? 4.864 25.384 13.303 1.000 1.660 1 260 1
+ATOM O O . PHE A A 34 34 ? 5.969 25.838 13.669 1.000 7.940 1 261 1
+ATOM C CB . PHE A A 34 34 ? 3.823 27.421 12.484 1.000 6.210 1 262 1
+ATOM C CG . PHE A A 34 34 ? 3.522 28.104 11.182 1.000 8.910 1 263 1
+ATOM C CD1 . PHE A A 34 34 ? 2.352 28.770 11.043 1.000 4.640 1 264 1
+ATOM C CD2 . PHE A A 34 34 ? 4.430 28.142 10.155 1.000 5.750 1 265 1
+ATOM C CE1 . PHE A A 34 34 ? 2.015 29.452 9.839 1.000 6.040 1 266 1
+ATOM C CE2 . PHE A A 34 34 ? 4.099 28.870 8.963 1.000 8.970 1 267 1
+ATOM C CZ . PHE A A 34 34 ? 2.905 29.472 8.818 1.000 6.880 1 268 1
+ATOM N N . GLU A A 35 35 ? 4.235 24.371 13.876 1.000 9.160 1 269 1
+ATOM C CA . GLU A A 35 35 ? 4.710 23.725 15.105 1.000 8.150 1 270 1
+ATOM C C . GLU A A 35 35 ? 5.492 22.522 14.577 1.000 6.290 1 271 1
+ATOM O O . GLU A A 35 35 ? 6.672 22.311 14.933 1.000 7.550 1 272 1
+ATOM C CB . GLU A A 35 35 ? 3.529 23.292 16.018 1.000 6.170 1 273 1
+ATOM C CG . GLU A A 35 35 ? 3.781 23.319 17.539 1.000 1.000 1 274 1
+ATOM C CD . GLU A A 35 35 ? 4.672 24.515 18.041 1.000 6.620 1 275 1
+ATOM O OE1 . GLU A A 35 35 ? 5.840 24.269 17.743 1.000 5.480 1 276 1
+ATOM O OE2 . GLU A A 35 35 ? 4.202 25.453 18.611 1.000 5.480 1 277 1
+ATOM N N . SER A A 36 36 ? 4.811 21.766 13.733 1.000 5.510 1 278 1
+ATOM C CA . SER A A 36 36 ? 5.349 20.531 13.150 1.000 5.960 1 279 1
+ATOM C C . SER A A 36 36 ? 5.269 20.152 11.672 1.000 8.940 1 280 1
+ATOM O O . SER A A 36 36 ? 5.683 19.044 11.266 1.000 9.730 1 281 1
+ATOM C CB . SER A A 36 36 ? 4.713 19.323 13.800 1.000 6.400 1 282 1
+ATOM O OG . SER A A 36 36 ? 3.312 19.255 13.548 1.000 7.120 1 283 1
+ATOM N N . ASN A A 37 37 ? 4.739 21.089 10.903 1.000 8.510 1 284 1
+ATOM C CA . ASN A A 37 37 ? 4.540 20.923 9.459 1.000 7.020 1 285 1
+ATOM C C . ASN A A 37 37 ? 3.675 19.698 9.166 1.000 7.370 1 286 1
+ATOM O O . ASN A A 37 37 ? 3.923 18.949 8.200 1.000 7.840 1 287 1
+ATOM C CB . ASN A A 37 37 ? 5.909 20.785 8.761 1.000 5.550 1 288 1
+ATOM C CG . ASN A A 37 37 ? 5.922 21.493 7.434 1.000 8.030 1 289 1
+ATOM O OD1 . ASN A A 37 37 ? 5.145 22.641 7.360 1.000 3.600 1 290 1
+ATOM N ND2 . ASN A A 37 37 ? 6.506 21.098 6.441 1.000 3.600 1 291 1
+ATOM N N . PHE A A 38 38 ? 2.674 19.529 10.015 1.000 6.590 1 292 1
+ATOM C CA . PHE A A 38 38 ? 1.700 18.438 9.899 1.000 5.200 1 293 1
+ATOM C C . PHE A A 38 38 ? 2.308 17.037 9.941 1.000 4.720 1 294 1
+ATOM O O . PHE A A 38 38 ? 1.677 16.048 9.512 1.000 4.430 1 295 1
+ATOM C CB . PHE A A 38 38 ? 0.932 18.594 8.602 1.000 7.030 1 296 1
+ATOM C CG . PHE A A 38 38 ? 0.122 19.847 8.439 1.000 6.770 1 297 1
+ATOM C CD1 . PHE A A 38 38 ? -0.399 20.441 9.533 1.000 6.900 1 298 1
+ATOM C CD2 . PHE A A 38 38 ? -0.039 20.452 7.219 1.000 4.810 1 299 1
+ATOM C CE1 . PHE A A 38 38 ? -1.163 21.641 9.445 1.000 4.370 1 300 1
+ATOM C CE2 . PHE A A 38 38 ? -0.772 21.684 7.147 1.000 6.840 1 301 1
+ATOM C CZ . PHE A A 38 38 ? -1.339 22.228 8.240 1.000 5.940 1 302 1
+ATOM N N . ASN A A 39 39 ? 3.523 16.992 10.465 1.000 9.080 1 303 1
+ATOM C CA . ASN A A 39 39 ? 4.274 15.746 10.644 1.000 9.320 1 304 1
+ATOM C C . ASN A A 39 39 ? 4.246 15.351 12.121 1.000 7.130 1 305 1
+ATOM O O . ASN A A 39 39 ? 4.873 16.009 12.977 1.000 7.230 1 306 1
+ATOM C CB . ASN A A 39 39 ? 5.722 15.938 10.149 1.000 5.830 1 307 1
+ATOM C CG . ASN A A 39 39 ? 6.540 14.689 10.346 1.000 5.380 1 308 1
+ATOM O OD1 . ASN A A 39 39 ? 5.832 13.568 10.757 1.000 6.850 1 309 1
+ATOM N ND2 . ASN A A 39 39 ? 7.750 14.624 10.225 1.000 6.850 1 310 1
+ATOM N N . THR A A 40 40 ? 3.518 14.276 12.379 1.000 7.690 1 311 1
+ATOM C CA . THR A A 40 40 ? 3.383 13.702 13.723 1.000 5.740 1 312 1
+ATOM C C . THR A A 40 40 ? 4.586 13.021 14.379 1.000 9.130 1 313 1
+ATOM O O . THR A A 40 40 ? 4.616 12.812 15.611 1.000 7.660 1 314 1
+ATOM C CB . THR A A 40 40 ? 2.245 12.666 13.661 1.000 8.620 1 315 1
+ATOM O OG1 . THR A A 40 40 ? 2.863 11.502 13.123 1.000 5.620 1 316 1
+ATOM C CG2 . THR A A 40 40 ? 1.107 13.112 12.782 1.000 3.710 1 317 1
+ATOM N N . GLN A A 41 41 ? 5.550 12.696 13.533 1.000 9.100 1 318 1
+ATOM C CA . GLN A A 41 41 ? 6.824 12.104 13.957 1.000 8.280 1 319 1
+ATOM C C . GLN A A 41 41 ? 7.901 13.084 14.424 1.000 9.150 1 320 1
+ATOM O O . GLN A A 41 41 ? 8.999 12.677 14.859 1.000 5.640 1 321 1
+ATOM C CB . GLN A A 41 41 ? 7.372 11.303 12.809 1.000 8.350 1 322 1
+ATOM C CG . GLN A A 41 41 ? 6.650 10.047 12.577 1.000 6.000 1 323 1
+ATOM C CD . GLN A A 41 41 ? 7.506 8.891 12.042 1.000 8.190 1 324 1
+ATOM O OE1 . GLN A A 41 41 ? 7.565 8.718 10.777 1.000 4.040 1 325 1
+ATOM N NE2 . GLN A A 41 41 ? 8.165 8.200 12.872 1.000 4.040 1 326 1
+ATOM N N . ALA A A 42 42 ? 7.552 14.357 14.323 1.000 4.920 1 327 1
+ATOM C CA . ALA A A 42 42 ? 8.427 15.463 14.730 1.000 7.330 1 328 1
+ATOM C C . ALA A A 42 42 ? 8.807 15.523 16.211 1.000 7.560 1 329 1
+ATOM O O . ALA A A 42 42 ? 7.964 15.283 17.103 1.000 10.230 1 330 1
+ATOM C CB . ALA A A 42 42 ? 7.647 16.751 14.435 1.000 7.780 1 331 1
+ATOM N N . THR A A 43 43 ? 10.071 15.848 16.432 1.000 7.520 1 332 1
+ATOM C CA . THR A A 43 43 ? 10.622 16.061 17.776 1.000 6.270 1 333 1
+ATOM C C . THR A A 43 43 ? 11.637 17.199 17.672 1.000 10.160 1 334 1
+ATOM O O . THR A A 43 43 ? 12.218 17.448 16.593 1.000 4.280 1 335 1
+ATOM C CB . THR A A 43 43 ? 11.235 14.726 18.234 1.000 5.700 1 336 1
+ATOM O OG1 . THR A A 43 43 ? 12.261 14.469 17.281 1.000 6.250 1 337 1
+ATOM C CG2 . THR A A 43 43 ? 10.231 13.604 18.241 1.000 4.230 1 338 1
+ATOM N N . ASN A A 44 44 ? 11.827 17.859 18.804 1.000 6.220 1 339 1
+ATOM C CA . ASN A A 44 44 ? 12.810 18.940 18.949 1.000 7.480 1 340 1
+ATOM C C . ASN A A 44 44 ? 13.223 19.117 20.411 1.000 7.410 1 341 1
+ATOM O O . ASN A A 44 44 ? 12.369 19.302 21.304 1.000 5.520 1 342 1
+ATOM C CB . ASN A A 44 44 ? 12.215 20.256 18.406 1.000 5.160 1 343 1
+ATOM C CG . ASN A A 44 44 ? 12.029 20.200 16.912 1.000 4.500 1 344 1
+ATOM O OD1 . ASN A A 44 44 ? 13.198 20.204 16.162 1.000 4.850 1 345 1
+ATOM N ND2 . ASN A A 44 44 ? 10.952 20.211 16.342 1.000 4.850 1 346 1
+ATOM N N . ARG A A 45 45 ? 14.530 19.060 20.613 1.000 7.580 1 347 1
+ATOM C CA . ARG A A 45 45 ? 15.147 19.257 21.932 1.000 5.730 1 348 1
+ATOM C C . ARG A A 45 45 ? 15.358 20.739 22.243 1.000 10.120 1 349 1
+ATOM O O . ARG A A 45 45 ? 15.783 21.528 21.371 1.000 3.870 1 350 1
+ATOM C CB . ARG A A 45 45 ? 16.517 18.554 22.017 1.000 5.390 1 351 1
+ATOM C CG . ARG A A 45 45 ? 17.046 18.361 23.450 1.000 6.290 1 352 1
+ATOM C CD . ARG A A 45 45 ? 17.656 16.982 23.599 1.000 4.430 1 353 1
+ATOM N NE . ARG A A 45 45 ? 17.321 16.392 24.904 1.000 2.120 1 354 1
+ATOM C CZ . ARG A A 45 45 ? 17.978 15.339 25.431 1.000 2.480 1 355 1
+ATOM N NH1 . ARG A A 45 45 ? 18.859 14.697 24.686 1.000 6.840 1 356 1
+ATOM N NH2 . ARG A A 45 45 ? 17.739 14.939 26.688 1.000 6.840 1 357 1
+ATOM N N . ASN A A 46 46 ? 15.059 21.078 23.488 1.000 5.270 1 358 1
+ATOM C CA . ASN A A 46 46 ? 15.139 22.458 23.991 1.000 8.370 1 359 1
+ATOM C C . ASN A A 46 46 ? 16.438 22.403 24.798 1.000 2.500 1 360 1
+ATOM O O . ASN A A 46 46 ? 16.930 21.310 25.152 1.000 4.060 1 361 1
+ATOM C CB . ASN A A 46 46 ? 13.872 22.785 24.804 1.000 2.720 1 362 1
+ATOM C CG . ASN A A 46 46 ? 12.622 22.563 23.993 1.000 6.180 1 363 1
+ATOM O OD1 . ASN A A 46 46 ? 11.811 21.517 24.416 1.000 2.770 1 364 1
+ATOM N ND2 . ASN A A 46 46 ? 12.323 23.186 22.990 1.000 2.770 1 365 1
+ATOM N N . THR A A 47 47 ? 16.955 23.591 25.071 1.000 3.530 1 366 1
+ATOM C CA . THR A A 47 47 ? 18.089 23.781 25.985 1.000 3.350 1 367 1
+ATOM C C . THR A A 47 47 ? 18.033 23.179 27.389 1.000 3.340 1 368 1
+ATOM O O . THR A A 47 47 ? 19.054 22.698 27.926 1.000 4.530 1 369 1
+ATOM C CB . THR A A 47 47 ? 18.295 25.300 26.142 1.000 5.410 1 370 1
+ATOM O OG1 . THR A A 47 47 ? 16.973 25.822 26.222 1.000 5.890 1 371 1
+ATOM C CG2 . THR A A 47 47 ? 19.031 25.906 24.978 1.000 4.550 1 372 1
+ATOM N N . ASP A A 48 48 ? 16.833 23.217 27.945 1.000 5.520 1 373 1
+ATOM C CA . ASP A A 48 48 ? 16.589 22.875 29.352 1.000 3.730 1 374 1
+ATOM C C . ASP A A 48 48 ? 16.526 21.351 29.452 1.000 8.350 1 375 1
+ATOM O O . ASP A A 48 48 ? 16.390 20.782 30.557 1.000 7.780 1 376 1
+ATOM C CB . ASP A A 48 48 ? 15.276 23.535 29.824 1.000 4.730 1 377 1
+ATOM C CG . ASP A A 48 48 ? 14.071 22.773 29.335 1.000 10.390 1 378 1
+ATOM O OD1 . ASP A A 48 48 ? 14.147 22.307 28.029 1.000 5.660 1 379 1
+ATOM O OD2 . ASP A A 48 48 ? 13.049 22.600 29.976 1.000 5.660 1 380 1
+ATOM N N . GLY A A 49 49 ? 16.632 20.730 28.289 1.000 8.090 1 381 1
+ATOM C CA . GLY A A 49 49 ? 16.855 19.284 28.170 1.000 5.020 1 382 1
+ATOM C C . GLY A A 49 49 ? 15.577 18.485 27.913 1.000 5.630 1 383 1
+ATOM O O . GLY A A 49 49 ? 15.623 17.270 27.623 1.000 8.900 1 384 1
+ATOM N N . SER A A 50 50 ? 14.466 19.197 28.022 1.000 6.910 1 385 1
+ATOM C CA . SER A A 50 50 ? 13.145 18.685 27.636 1.000 6.540 1 386 1
+ATOM C C . SER A A 50 50 ? 13.154 18.555 26.113 1.000 8.200 1 387 1
+ATOM O O . SER A A 50 50 ? 14.056 19.080 25.425 1.000 9.560 1 388 1
+ATOM C CB . SER A A 50 50 ? 12.058 19.630 28.098 1.000 7.280 1 389 1
+ATOM O OG . SER A A 50 50 ? 11.849 20.696 27.176 1.000 9.040 1 390 1
+ATOM N N . THR A A 51 51 ? 12.140 17.859 25.625 1.000 5.830 1 391 1
+ATOM C CA . THR A A 51 51 ? 11.971 17.581 24.194 1.000 9.370 1 392 1
+ATOM C C . THR A A 51 51 ? 10.488 17.811 23.903 1.000 5.220 1 393 1
+ATOM O O . THR A A 51 51 ? 9.621 17.618 24.782 1.000 10.110 1 394 1
+ATOM C CB . THR A A 51 51 ? 12.454 16.138 23.951 1.000 5.870 1 395 1
+ATOM O OG1 . THR A A 51 51 ? 13.870 16.220 24.073 1.000 5.900 1 396 1
+ATOM C CG2 . THR A A 51 51 ? 12.071 15.626 22.589 1.000 3.970 1 397 1
+ATOM N N . ASP A A 52 52 ? 10.237 18.215 22.668 1.000 5.630 1 398 1
+ATOM C CA . ASP A A 52 52 ? 8.885 18.518 22.183 1.000 6.940 1 399 1
+ATOM C C . ASP A A 52 52 ? 8.480 17.351 21.281 1.000 9.140 1 400 1
+ATOM O O . ASP A A 52 52 ? 9.300 16.825 20.499 1.000 9.640 1 401 1
+ATOM C CB . ASP A A 52 52 ? 8.895 19.867 21.433 1.000 6.000 1 402 1
+ATOM C CG . ASP A A 52 52 ? 8.864 21.028 22.391 1.000 7.920 1 403 1
+ATOM O OD1 . ASP A A 52 52 ? 8.977 20.936 23.601 1.000 5.300 1 404 1
+ATOM O OD2 . ASP A A 52 52 ? 8.778 22.114 21.885 1.000 5.300 1 405 1
+ATOM N N . TYR A A 53 53 ? 7.216 16.983 21.413 1.000 7.530 1 406 1
+ATOM C CA . TYR A A 53 53 ? 6.636 15.841 20.700 1.000 6.010 1 407 1
+ATOM C C . TYR A A 53 53 ? 5.255 15.835 20.044 1.000 7.840 1 408 1
+ATOM O O . TYR A A 53 53 ? 4.249 16.258 20.653 1.000 7.570 1 409 1
+ATOM C CB . TYR A A 53 53 ? 6.580 14.636 21.655 1.000 5.060 1 410 1
+ATOM C CG . TYR A A 53 53 ? 7.876 14.229 22.371 1.000 9.860 1 411 1
+ATOM C CD1 . TYR A A 53 53 ? 8.556 13.089 21.907 1.000 7.810 1 412 1
+ATOM C CD2 . TYR A A 53 53 ? 8.325 14.899 23.477 1.000 7.890 1 413 1
+ATOM C CE1 . TYR A A 53 53 ? 9.781 12.687 22.586 1.000 7.560 1 414 1
+ATOM C CE2 . TYR A A 53 53 ? 9.523 14.512 24.151 1.000 5.960 1 415 1
+ATOM C CZ . TYR A A 53 53 ? 10.185 13.372 23.677 1.000 8.810 1 416 1
+ATOM O OH . TYR A A 53 53 ? 11.330 12.977 24.335 1.000 8.660 1 417 1
+ATOM N N . GLY A A 54 54 ? 5.243 15.343 18.816 1.000 8.840 1 418 1
+ATOM C CA . GLY A A 54 54 ? 4.046 15.335 17.966 1.000 6.300 1 419 1
+ATOM C C . GLY A A 54 54 ? 3.699 16.443 16.974 1.000 7.270 1 420 1
+ATOM O O . GLY A A 54 54 ? 4.511 17.358 16.721 1.000 6.690 1 421 1
+ATOM N N . ILE A A 55 55 ? 2.493 16.333 16.441 1.000 6.430 1 422 1
+ATOM C CA . ILE A A 55 55 ? 1.911 17.349 15.555 1.000 4.030 1 423 1
+ATOM C C . ILE A A 55 55 ? 1.722 18.713 16.221 1.000 8.540 1 424 1
+ATOM O O . ILE A A 55 55 ? 1.801 19.770 15.558 1.000 10.000 1 425 1
+ATOM C CB . ILE A A 55 55 ? 0.510 16.931 15.043 1.000 8.310 1 426 1
+ATOM C CG1 . ILE A A 55 55 ? 0.118 17.636 13.716 1.000 5.010 1 427 1
+ATOM C CG2 . ILE A A 55 55 ? -0.370 17.234 16.259 1.000 4.290 1 428 1
+ATOM C CD1 . ILE A A 55 55 ? 0.371 16.778 12.455 1.000 7.300 1 429 1
+ATOM N N . LEU A A 56 56 ? 1.481 18.652 17.521 1.000 8.460 1 430 1
+ATOM C CA . LEU A A 56 56 ? 1.284 19.842 18.359 1.000 5.810 1 431 1
+ATOM C C . LEU A A 56 56 ? 2.435 20.174 19.310 1.000 7.440 1 432 1
+ATOM O O . LEU A A 56 56 ? 2.329 21.087 20.156 1.000 9.200 1 433 1
+ATOM C CB . LEU A A 56 56 ? 0.019 19.675 19.223 1.000 5.960 1 434 1
+ATOM C CG . LEU A A 56 56 ? -1.177 20.548 18.907 1.000 7.670 1 435 1
+ATOM C CD1 . LEU A A 56 56 ? -0.984 21.197 17.557 1.000 6.690 1 436 1
+ATOM C CD2 . LEU A A 56 56 ? -2.447 19.731 18.907 1.000 6.690 1 437 1
+ATOM N N . GLN A A 57 57 ? 3.511 19.421 19.139 1.000 7.930 1 438 1
+ATOM C CA . GLN A A 57 57 ? 4.742 19.591 19.921 1.000 5.510 1 439 1
+ATOM C C . GLN A A 57 57 ? 4.622 19.805 21.431 1.000 7.630 1 440 1
+ATOM O O . GLN A A 57 57 ? 5.078 20.834 21.974 1.000 10.990 1 441 1
+ATOM C CB . GLN A A 57 57 ? 5.494 20.766 19.362 1.000 2.730 1 442 1
+ATOM C CG . GLN A A 57 57 ? 6.092 20.502 18.047 1.000 6.640 1 443 1
+ATOM C CD . GLN A A 57 57 ? 7.256 19.501 18.049 1.000 9.130 1 444 1
+ATOM O OE1 . GLN A A 57 57 ? 8.421 19.929 18.351 1.000 8.270 1 445 1
+ATOM N NE2 . GLN A A 57 57 ? 6.999 18.283 17.812 1.000 8.270 1 446 1
+ATOM N N . ILE A A 58 58 ? 4.010 18.821 22.069 1.000 6.690 1 447 1
+ATOM C CA . ILE A A 58 58 ? 3.805 18.812 23.524 1.000 6.330 1 448 1
+ATOM C C . ILE A A 58 58 ? 5.124 18.505 24.233 1.000 5.540 1 449 1
+ATOM O O . ILE A A 58 58 ? 5.874 17.588 23.832 1.000 8.520 1 450 1
+ATOM C CB . ILE A A 58 58 ? 2.770 17.741 23.951 1.000 8.390 1 451 1
+ATOM C CG1 . ILE A A 58 58 ? 1.357 17.995 23.356 1.000 6.570 1 452 1
+ATOM C CG2 . ILE A A 58 58 ? 2.882 17.790 25.476 1.000 2.150 1 453 1
+ATOM C CD1 . ILE A A 58 58 ? 0.672 16.722 22.809 1.000 4.260 1 454 1
+ATOM N N . ASN A A 59 59 ? 5.370 19.282 25.278 1.000 8.240 1 455 1
+ATOM C CA . ASN A A 59 59 ? 6.598 19.187 26.079 1.000 6.510 1 456 1
+ATOM C C . ASN A A 59 59 ? 6.657 18.098 27.150 1.000 6.390 1 457 1
+ATOM O O . ASN A A 59 59 ? 5.646 17.797 27.821 1.000 1.570 1 458 1
+ATOM C CB . ASN A A 59 59 ? 6.850 20.529 26.799 1.000 5.350 1 459 1
+ATOM C CG . ASN A A 59 59 ? 8.304 20.695 27.156 1.000 7.040 1 460 1
+ATOM O OD1 . ASN A A 59 59 ? 8.624 20.463 28.488 1.000 3.380 1 461 1
+ATOM N ND2 . ASN A A 59 59 ? 9.173 21.064 26.386 1.000 3.380 1 462 1
+ATOM N N . SER A A 60 60 ? 7.849 17.536 27.285 1.000 7.460 1 463 1
+ATOM C CA . SER A A 60 60 ? 8.135 16.486 28.270 1.000 6.180 1 464 1
+ATOM C C . SER A A 60 60 ? 8.459 16.829 29.725 1.000 7.980 1 465 1
+ATOM O O . SER A A 60 60 ? 8.570 15.936 30.589 1.000 4.070 1 466 1
+ATOM C CB . SER A A 60 60 ? 9.328 15.666 27.832 1.000 7.230 1 467 1
+ATOM O OG . SER A A 60 60 ? 10.549 16.386 27.956 1.000 6.410 1 468 1
+ATOM N N . ARG A A 61 61 ? 8.597 18.126 29.957 1.000 4.650 1 469 1
+ATOM C CA . ARG A A 61 61 ? 8.935 18.674 31.277 1.000 5.480 1 470 1
+ATOM C C . ARG A A 61 61 ? 7.669 18.679 32.136 1.000 4.460 1 471 1
+ATOM O O . ARG A A 61 61 ? 7.734 18.586 33.380 1.000 3.840 1 472 1
+ATOM C CB . ARG A A 61 61 ? 9.490 20.107 31.162 1.000 5.800 1 473 1
+ATOM C CG . ARG A A 61 61 ? 9.442 20.917 32.471 1.000 7.330 1 474 1
+ATOM C CD . ARG A A 61 61 ? 10.786 21.568 32.730 1.000 2.020 1 475 1
+ATOM N NE . ARG A A 61 61 ? 11.028 21.726 34.173 1.000 3.430 1 476 1
+ATOM C CZ . ARG A A 61 61 ? 12.197 22.170 34.684 1.000 2.800 1 477 1
+ATOM N NH1 . ARG A A 61 61 ? 13.261 22.214 33.902 1.000 4.980 1 478 1
+ATOM N NH2 . ARG A A 61 61 ? 12.286 22.554 35.966 1.000 4.980 1 479 1
+ATOM N N . TRP A A 62 62 ? 6.547 18.783 31.442 1.000 5.290 1 480 1
+ATOM C CA . TRP A A 62 62 ? 5.215 18.747 32.059 1.000 6.390 1 481 1
+ATOM C C . TRP A A 62 62 ? 4.042 17.836 31.698 1.000 4.440 1 482 1
+ATOM O O . TRP A A 62 62 ? 3.345 17.298 32.585 1.000 6.040 1 483 1
+ATOM C CB . TRP A A 62 62 ? 4.583 20.134 31.943 1.000 6.090 1 484 1
+ATOM C CG . TRP A A 62 62 ? 5.548 21.368 32.081 1.000 4.170 1 485 1
+ATOM C CD1 . TRP A A 62 62 ? 6.265 21.993 31.136 1.000 2.780 1 486 1
+ATOM C CD2 . TRP A A 62 62 ? 5.785 22.088 33.256 1.000 6.500 1 487 1
+ATOM N NE1 . TRP A A 62 62 ? 7.026 23.073 31.736 1.000 4.730 1 488 1
+ATOM C CE2 . TRP A A 62 62 ? 6.699 23.142 32.967 1.000 3.830 1 489 1
+ATOM C CE3 . TRP A A 62 62 ? 5.313 21.940 34.540 1.000 1.930 1 490 1
+ATOM C CZ2 . TRP A A 62 62 ? 7.172 24.076 33.893 1.000 0.590 1 491 1
+ATOM C CZ3 . TRP A A 62 62 ? 5.807 22.879 35.470 1.000 5.820 1 492 1
+ATOM C CH2 . TRP A A 62 62 ? 6.664 23.922 35.148 1.000 2.800 1 493 1
+ATOM N N . TRP A A 63 63 ? 3.858 17.685 30.396 1.000 5.790 1 494 1
+ATOM C CA . TRP A A 63 63 ? 2.811 16.826 29.828 1.000 4.130 1 495 1
+ATOM C C . TRP A A 63 63 ? 2.897 15.321 29.588 1.000 7.490 1 496 1
+ATOM O O . TRP A A 63 63 ? 1.878 14.599 29.652 1.000 5.750 1 497 1
+ATOM C CB . TRP A A 63 63 ? 2.437 17.358 28.444 1.000 2.760 1 498 1
+ATOM C CG . TRP A A 63 63 ? 2.327 18.899 28.741 1.000 7.710 1 499 1
+ATOM C CD1 . TRP A A 63 63 ? 3.075 19.908 28.273 1.000 6.230 1 500 1
+ATOM C CD2 . TRP A A 63 63 ? 1.350 19.506 29.537 1.000 6.860 1 501 1
+ATOM N NE1 . TRP A A 63 63 ? 2.614 21.162 28.840 1.000 5.130 1 502 1
+ATOM C CE2 . TRP A A 63 63 ? 1.578 20.913 29.541 1.000 7.940 1 503 1
+ATOM C CE3 . TRP A A 63 63 ? 0.296 18.994 30.258 1.000 5.330 1 504 1
+ATOM C CZ2 . TRP A A 63 63 ? 0.802 21.854 30.226 1.000 6.150 1 505 1
+ATOM C CZ3 . TRP A A 63 63 ? -0.472 19.949 30.956 1.000 4.580 1 506 1
+ATOM C CH2 . TRP A A 63 63 ? -0.251 21.318 30.905 1.000 5.000 1 507 1
+ATOM N N . CYS A A 64 64 ? 4.119 14.885 29.323 1.000 6.230 1 508 1
+ATOM C CA . CYS A A 64 64 ? 4.418 13.486 28.994 1.000 5.070 1 509 1
+ATOM C C . CYS A A 64 64 ? 5.827 13.025 29.375 1.000 3.870 1 510 1
+ATOM O O . CYS A A 64 64 ? 6.794 13.816 29.342 1.000 3.900 1 511 1
+ATOM C CB . CYS A A 64 64 ? 4.294 13.175 27.342 1.000 5.740 1 512 1
+ATOM S SG . CYS A A 64 64 ? 5.622 13.979 26.390 1.000 16.820 1 513 1
+ATOM N N . ASN A A 65 65 ? 5.903 11.750 29.722 1.000 7.320 1 514 1
+ATOM C CA . ASN A A 65 65 ? 7.171 11.074 30.027 1.000 6.520 1 515 1
+ATOM C C . ASN A A 65 65 ? 7.861 10.440 28.817 1.000 3.900 1 516 1
+ATOM O O . ASN A A 65 65 ? 7.263 9.613 28.095 1.000 9.860 1 517 1
+ATOM C CB . ASN A A 65 65 ? 6.930 9.969 31.078 1.000 2.800 1 518 1
+ATOM C CG . ASN A A 65 65 ? 8.230 9.393 31.577 1.000 4.520 1 519 1
+ATOM O OD1 . ASN A A 65 65 ? 9.190 10.051 31.935 1.000 4.940 1 520 1
+ATOM N ND2 . ASN A A 65 65 ? 8.264 8.196 31.668 1.000 4.940 1 521 1
+ATOM N N . ASP A A 66 66 ? 9.109 10.845 28.633 1.000 3.360 1 522 1
+ATOM C CA . ASP A A 66 66 ? 10.020 10.221 27.666 1.000 5.570 1 523 1
+ATOM C C . ASP A A 66 66 ? 11.235 9.653 28.403 1.000 7.410 1 524 1
+ATOM O O . ASP A A 66 66 ? 12.226 9.222 27.775 1.000 7.130 1 525 1
+ATOM C CB . ASP A A 66 66 ? 10.454 11.267 26.615 1.000 5.860 1 526 1
+ATOM C CG . ASP A A 66 66 ? 11.270 12.368 27.240 1.000 7.870 1 527 1
+ATOM O OD1 . ASP A A 66 66 ? 11.334 12.350 28.628 1.000 8.770 1 528 1
+ATOM O OD2 . ASP A A 66 66 ? 11.807 13.272 26.625 1.000 8.770 1 529 1
+ATOM N N . GLY A A 67 67 ? 11.120 9.664 29.722 1.000 5.920 1 530 1
+ATOM C CA . GLY A A 67 67 ? 12.121 9.074 30.620 1.000 6.190 1 531 1
+ATOM C C . GLY A A 67 67 ? 13.574 9.550 30.676 1.000 6.380 1 532 1
+ATOM O O . GLY A A 67 67 ? 14.460 8.855 31.218 1.000 6.500 1 533 1
+ATOM N N . ARG A A 68 68 ? 13.778 10.731 30.114 1.000 4.000 1 534 1
+ATOM C CA . ARG A A 68 68 ? 15.050 11.459 30.212 1.000 6.960 1 535 1
+ATOM C C . ARG A A 68 68 ? 14.960 12.972 30.420 1.000 8.210 1 536 1
+ATOM O O . ARG A A 68 68 ? 15.933 13.716 30.169 1.000 7.110 1 537 1
+ATOM C CB . ARG A A 68 68 ? 15.898 11.276 28.936 1.000 7.030 1 538 1
+ATOM C CG . ARG A A 68 68 ? 15.316 11.957 27.682 1.000 5.430 1 539 1
+ATOM C CD . ARG A A 68 68 ? 16.417 12.212 26.671 1.000 6.180 1 540 1
+ATOM N NE . ARG A A 68 68 ? 15.861 12.668 25.386 1.000 8.140 1 541 1
+ATOM C CZ . ARG A A 68 68 ? 16.611 13.225 24.409 1.000 4.500 1 542 1
+ATOM N NH1 . ARG A A 68 68 ? 17.949 13.225 24.485 1.000 6.050 1 543 1
+ATOM N NH2 . ARG A A 68 68 ? 16.004 13.766 23.367 1.000 6.050 1 544 1
+ATOM N N . THR A A 69 69 ? 13.789 13.386 30.881 1.000 5.550 1 545 1
+ATOM C CA . THR A A 69 69 ? 13.568 14.735 31.414 1.000 3.360 1 546 1
+ATOM C C . THR A A 69 69 ? 13.175 14.685 32.890 1.000 5.300 1 547 1
+ATOM O O . THR A A 69 69 ? 12.008 14.402 33.238 1.000 6.250 1 548 1
+ATOM C CB . THR A A 69 69 ? 12.474 15.390 30.549 1.000 5.910 1 549 1
+ATOM O OG1 . THR A A 69 69 ? 12.802 15.001 29.219 1.000 7.370 1 550 1
+ATOM C CG2 . THR A A 69 69 ? 12.465 16.885 30.672 1.000 5.600 1 551 1
+ATOM N N . PRO A A 70 70 ? 14.165 14.968 33.722 1.000 9.200 1 552 1
+ATOM C CA . PRO A A 70 70 ? 14.000 15.011 35.179 1.000 1.750 1 553 1
+ATOM C C . PRO A A 70 70 ? 13.077 15.708 36.179 1.000 4.960 1 554 1
+ATOM O O . PRO A A 70 70 ? 12.640 15.106 37.183 1.000 4.820 1 555 1
+ATOM C CB . PRO A A 70 70 ? 15.371 15.319 35.687 1.000 4.100 1 556 1
+ATOM C CG . PRO A A 70 70 ? 16.308 15.083 34.519 1.000 2.810 1 557 1
+ATOM C CD . PRO A A 70 70 ? 15.472 15.433 33.293 1.000 7.660 1 558 1
+ATOM N N . GLY A A 71 71 ? 12.800 16.960 35.870 1.000 2.270 1 559 1
+ATOM C CA . GLY A A 71 71 ? 11.889 17.797 36.660 1.000 3.740 1 560 1
+ATOM C C . GLY A A 71 71 ? 10.548 17.095 36.451 1.000 8.150 1 561 1
+ATOM O O . GLY A A 71 71 ? 9.658 17.126 37.328 1.000 3.650 1 562 1
+ATOM N N . SER A A 72 72 ? 10.443 16.472 35.290 1.000 4.040 1 563 1
+ATOM C CA . SER A A 72 72 ? 9.195 15.862 34.820 1.000 3.010 1 564 1
+ATOM C C . SER A A 72 72 ? 7.912 15.477 35.556 1.000 6.250 1 565 1
+ATOM O O . SER A A 72 72 ? 7.890 14.518 36.357 1.000 6.370 1 566 1
+ATOM C CB . SER A A 72 72 ? 9.473 14.512 34.199 1.000 4.230 1 567 1
+ATOM O OG . SER A A 72 72 ? 9.506 14.574 32.777 1.000 3.610 1 568 1
+ATOM N N . ARG A A 73 73 ? 6.871 16.234 35.258 1.000 7.960 1 569 1
+ATOM C CA . ARG A A 73 73 ? 5.530 16.009 35.808 1.000 4.660 1 570 1
+ATOM C C . ARG A A 73 73 ? 5.083 15.426 34.469 1.000 5.780 1 571 1
+ATOM O O . ARG A A 73 73 ? 5.563 15.838 33.391 1.000 2.980 1 572 1
+ATOM C CB . ARG A A 73 73 ? 4.895 17.327 36.289 1.000 4.040 1 573 1
+ATOM C CG . ARG A A 73 73 ? 4.908 17.520 37.816 1.000 2.260 1 574 1
+ATOM C CD . ARG A A 73 73 ? 5.304 18.941 38.158 1.000 1.150 1 575 1
+ATOM N NE . ARG A A 73 73 ? 6.050 18.993 39.425 1.000 1.650 1 576 1
+ATOM C CZ . ARG A A 73 73 ? 7.186 19.704 39.588 1.000 3.540 1 577 1
+ATOM N NH1 . ARG A A 73 73 ? 7.776 20.306 38.546 1.000 1.250 1 578 1
+ATOM N NH2 . ARG A A 73 73 ? 7.710 19.805 40.795 1.000 1.250 1 579 1
+ATOM N N . ASN A A 74 74 ? 4.165 14.479 34.575 1.000 3.260 1 580 1
+ATOM C CA . ASN A A 74 74 ? 3.595 13.783 33.416 1.000 3.300 1 581 1
+ATOM C C . ASN A A 74 74 ? 2.086 13.965 33.577 1.000 7.290 1 582 1
+ATOM O O . ASN A A 74 74 ? 1.339 12.990 33.806 1.000 5.810 1 583 1
+ATOM C CB . ASN A A 74 74 ? 4.044 12.307 33.428 1.000 3.840 1 584 1
+ATOM C CG . ASN A A 74 74 ? 3.302 11.497 32.398 1.000 4.290 1 585 1
+ATOM O OD1 . ASN A A 74 74 ? 3.099 10.299 32.467 1.000 5.460 1 586 1
+ATOM N ND2 . ASN A A 74 74 ? 2.768 12.220 31.338 1.000 5.460 1 587 1
+ATOM N N . LEU A A 75 75 ? 1.679 15.217 33.447 1.000 6.810 1 588 1
+ATOM C CA . LEU A A 75 75 ? 0.284 15.630 33.645 1.000 5.400 1 589 1
+ATOM C C . LEU A A 75 75 ? -0.742 15.016 32.694 1.000 5.960 1 590 1
+ATOM O O . LEU A A 75 75 ? -1.950 14.938 33.010 1.000 7.050 1 591 1
+ATOM C CB . LEU A A 75 75 ? 0.161 17.155 33.497 1.000 4.990 1 592 1
+ATOM C CG . LEU A A 75 75 ? 0.412 18.008 34.722 1.000 4.930 1 593 1
+ATOM C CD1 . LEU A A 75 75 ? -0.389 17.470 35.883 1.000 2.720 1 594 1
+ATOM C CD2 . LEU A A 75 75 ? 1.880 18.016 35.068 1.000 2.720 1 595 1
+ATOM N N . CYS A A 76 76 ? -0.231 14.589 31.551 1.000 5.890 1 596 1
+ATOM C CA . CYS A A 76 76 ? -1.035 13.954 30.501 1.000 6.310 1 597 1
+ATOM C C . CYS A A 76 76 ? -1.177 12.452 30.746 1.000 10.240 1 598 1
+ATOM O O . CYS A A 76 76 ? -2.044 11.780 30.146 1.000 5.940 1 599 1
+ATOM C CB . CYS A A 76 76 ? -1.300 14.441 29.129 1.000 6.640 1 600 1
+ATOM S SG . CYS A A 76 76 ? -1.502 16.173 28.624 1.000 16.020 1 601 1
+ATOM N N . ASN A A 77 77 ? -0.320 11.967 31.631 1.000 5.790 1 602 1
+ATOM C CA . ASN A A 77 77 ? -0.117 10.529 31.844 1.000 7.200 1 603 1
+ATOM C C . ASN A A 77 77 ? -0.018 9.734 30.542 1.000 5.540 1 604 1
+ATOM O O . ASN A A 77 77 ? -0.803 8.791 30.300 1.000 8.350 1 605 1
+ATOM C CB . ASN A A 77 77 ? -1.279 9.963 32.688 1.000 6.440 1 606 1
+ATOM C CG . ASN A A 77 77 ? -0.801 9.493 34.036 1.000 4.410 1 607 1
+ATOM O OD1 . ASN A A 77 77 ? -0.102 8.293 34.038 1.000 3.410 1 608 1
+ATOM N ND2 . ASN A A 77 77 ? -1.033 10.053 35.091 1.000 3.410 1 609 1
+ATOM N N . ILE A A 78 78 ? 0.953 10.135 29.739 1.000 5.450 1 610 1
+ATOM C CA . ILE A A 78 78 ? 1.253 9.486 28.457 1.000 4.680 1 611 1
+ATOM C C . ILE A A 78 78 ? 2.780 9.491 28.374 1.000 6.970 1 612 1
+ATOM O O . ILE A A 78 78 ? 3.451 10.415 28.882 1.000 6.380 1 613 1
+ATOM C CB . ILE A A 78 78 ? 0.631 10.254 27.265 1.000 8.060 1 614 1
+ATOM C CG1 . ILE A A 78 78 ? 0.124 9.312 26.139 1.000 4.790 1 615 1
+ATOM C CG2 . ILE A A 78 78 ? 1.762 11.213 26.889 1.000 4.090 1 616 1
+ATOM C CD1 . ILE A A 78 78 ? -0.732 8.132 26.652 1.000 4.110 1 617 1
+ATOM N N . PRO A A 79 79 ? 3.288 8.456 27.727 1.000 7.990 1 618 1
+ATOM C CA . PRO A A 79 79 ? 4.713 8.330 27.412 1.000 3.810 1 619 1
+ATOM C C . PRO A A 79 79 ? 4.640 9.231 26.179 1.000 9.610 1 620 1
+ATOM O O . PRO A A 79 79 ? 3.689 9.144 25.372 1.000 5.110 1 621 1
+ATOM C CB . PRO A A 79 79 ? 4.921 6.854 27.259 1.000 5.660 1 622 1
+ATOM C CG . PRO A A 79 79 ? 3.592 6.123 27.239 1.000 3.520 1 623 1
+ATOM C CD . PRO A A 79 79 ? 2.569 7.202 27.578 1.000 5.000 1 624 1
+ATOM N N . CYS A A 80 80 ? 5.656 10.072 26.066 1.000 7.250 1 625 1
+ATOM C CA . CYS A A 80 80 ? 5.808 10.997 24.936 1.000 7.220 1 626 1
+ATOM C C . CYS A A 80 80 ? 5.689 10.383 23.542 1.000 9.390 1 627 1
+ATOM O O . CYS A A 80 80 ? 5.102 10.988 22.618 1.000 7.330 1 628 1
+ATOM C CB . CYS A A 80 80 ? 7.115 11.720 25.134 1.000 8.900 1 629 1
+ATOM S SG . CYS A A 80 80 ? 7.226 12.794 26.597 1.000 15.690 1 630 1
+ATOM N N . SER A A 81 81 ? 6.248 9.189 23.429 1.000 9.690 1 631 1
+ATOM C CA . SER A A 81 81 ? 6.261 8.425 22.176 1.000 7.600 1 632 1
+ATOM C C . SER A A 81 81 ? 4.863 8.258 21.581 1.000 6.670 1 633 1
+ATOM O O . SER A A 81 81 ? 4.681 8.280 20.344 1.000 9.200 1 634 1
+ATOM C CB . SER A A 81 81 ? 6.845 7.049 22.404 1.000 7.700 1 635 1
+ATOM O OG . SER A A 81 81 ? 6.167 6.345 23.439 1.000 6.770 1 636 1
+ATOM N N . ALA A A 82 82 ? 3.908 8.100 22.483 1.000 4.970 1 637 1
+ATOM C CA . ALA A A 82 82 ? 2.489 7.969 22.134 1.000 8.230 1 638 1
+ATOM C C . ALA A A 82 82 ? 1.956 9.124 21.287 1.000 7.810 1 639 1
+ATOM O O . ALA A A 82 82 ? 0.979 8.967 20.523 1.000 4.560 1 640 1
+ATOM C CB . ALA A A 82 82 ? 1.689 7.993 23.446 1.000 6.380 1 641 1
+ATOM N N . LEU A A 83 83 ? 2.621 10.258 21.443 1.000 9.730 1 642 1
+ATOM C CA . LEU A A 83 83 ? 2.138 11.547 20.933 1.000 8.380 1 643 1
+ATOM C C . LEU A A 83 83 ? 2.577 11.634 19.471 1.000 8.140 1 644 1
+ATOM O O . LEU A A 83 83 ? 2.140 12.532 18.718 1.000 8.310 1 645 1
+ATOM C CB . LEU A A 83 83 ? 2.726 12.699 21.769 1.000 5.050 1 646 1
+ATOM C CG . LEU A A 83 83 ? 2.205 12.890 23.178 1.000 9.540 1 647 1
+ATOM C CD1 . LEU A A 83 83 ? 2.776 14.162 23.757 1.000 6.610 1 648 1
+ATOM C CD2 . LEU A A 83 83 ? 0.698 12.954 23.181 1.000 6.610 1 649 1
+ATOM N N . LEU A A 84 84 ? 3.430 10.689 19.107 1.000 7.280 1 650 1
+ATOM C CA . LEU A A 84 84 ? 3.978 10.584 17.749 1.000 7.180 1 651 1
+ATOM C C . LEU A A 84 84 ? 3.378 9.654 16.695 1.000 5.880 1 652 1
+ATOM O O . LEU A A 84 84 ? 3.826 9.627 15.528 1.000 6.400 1 653 1
+ATOM C CB . LEU A A 84 84 ? 5.452 10.142 17.808 1.000 5.540 1 654 1
+ATOM C CG . LEU A A 84 84 ? 6.401 10.950 18.668 1.000 8.530 1 655 1
+ATOM C CD1 . LEU A A 84 84 ? 7.811 10.448 18.470 1.000 5.000 1 656 1
+ATOM C CD2 . LEU A A 84 84 ? 6.321 12.414 18.312 1.000 5.000 1 657 1
+ATOM N N . SER A A 85 85 ? 2.372 8.917 17.136 1.000 6.530 1 658 1
+ATOM C CA . SER A A 85 85 ? 1.743 7.858 16.338 1.000 7.250 1 659 1
+ATOM C C . SER A A 85 85 ? 0.811 8.628 15.401 1.000 4.020 1 660 1
+ATOM O O . SER A A 85 85 ? 0.515 9.822 15.624 1.000 8.630 1 661 1
+ATOM C CB . SER A A 85 85 ? 1.006 6.889 17.235 1.000 3.820 1 662 1
+ATOM O OG . SER A A 85 85 ? -0.358 7.258 17.414 1.000 5.200 1 663 1
+ATOM N N . SER A A 86 86 ? 0.370 7.917 14.377 1.000 5.750 1 664 1
+ATOM C CA . SER A A 86 86 ? -0.493 8.474 13.328 1.000 10.230 1 665 1
+ATOM C C . SER A A 86 86 ? -1.961 8.775 13.630 1.000 10.380 1 666 1
+ATOM O O . SER A A 86 86 ? -2.652 9.464 12.847 1.000 2.620 1 667 1
+ATOM C CB . SER A A 86 86 ? -0.544 7.540 12.138 1.000 5.610 1 668 1
+ATOM O OG . SER A A 86 86 ? 0.714 6.920 11.891 1.000 2.240 1 669 1
+ATOM N N . ASP A A 87 87 ? -2.397 8.252 14.765 1.000 7.910 1 670 1
+ATOM C CA . ASP A A 87 87 ? -3.703 8.580 15.349 1.000 7.960 1 671 1
+ATOM C C . ASP A A 87 87 ? -3.278 9.708 16.290 1.000 7.480 1 672 1
+ATOM O O . ASP A A 87 87 ? -2.358 9.544 17.119 1.000 5.440 1 673 1
+ATOM C CB . ASP A A 87 87 ? -4.296 7.326 16.026 1.000 4.770 1 674 1
+ATOM C CG . ASP A A 87 87 ? -5.651 7.609 16.619 1.000 8.200 1 675 1
+ATOM O OD1 . ASP A A 87 87 ? -5.868 8.414 17.507 1.000 5.170 1 676 1
+ATOM O OD2 . ASP A A 87 87 ? -6.570 7.022 16.116 1.000 5.170 1 677 1
+ATOM N N . ILE A A 88 88 ? -3.968 10.827 16.137 1.000 7.350 1 678 1
+ATOM C CA . ILE A A 88 88 ? -3.676 12.058 16.882 1.000 6.310 1 679 1
+ATOM C C . ILE A A 88 88 ? -4.476 12.191 18.179 1.000 11.890 1 680 1
+ATOM O O . ILE A A 88 88 ? -4.449 13.246 18.848 1.000 9.480 1 681 1
+ATOM C CB . ILE A A 88 88 ? -3.999 13.324 16.050 1.000 7.400 1 682 1
+ATOM C CG1 . ILE A A 88 88 ? -5.520 13.503 15.790 1.000 3.390 1 683 1
+ATOM C CG2 . ILE A A 88 88 ? -3.120 13.117 14.814 1.000 5.690 1 684 1
+ATOM C CD1 . ILE A A 88 88 ? -5.893 14.881 15.197 1.000 7.340 1 685 1
+ATOM N N . THR A A 89 89 ? -5.166 11.108 18.500 1.000 6.350 1 686 1
+ATOM C CA . THR A A 89 89 ? -6.137 11.073 19.601 1.000 6.050 1 687 1
+ATOM C C . THR A A 89 89 ? -5.518 11.514 20.928 1.000 6.930 1 688 1
+ATOM O O . THR A A 89 89 ? -6.071 12.379 21.641 1.000 8.340 1 689 1
+ATOM C CB . THR A A 89 89 ? -6.676 9.632 19.684 1.000 6.380 1 690 1
+ATOM O OG1 . THR A A 89 89 ? -7.389 9.456 18.464 1.000 7.230 1 691 1
+ATOM C CG2 . THR A A 89 89 ? -7.590 9.426 20.862 1.000 5.180 1 692 1
+ATOM N N . ALA A A 90 90 ? -4.378 10.908 21.220 1.000 9.430 1 693 1
+ATOM C CA . ALA A A 90 90 ? -3.609 11.188 22.439 1.000 7.160 1 694 1
+ATOM C C . ALA A A 90 90 ? -3.093 12.623 22.544 1.000 7.060 1 695 1
+ATOM O O . ALA A A 90 90 ? -3.062 13.219 23.642 1.000 11.160 1 696 1
+ATOM C CB . ALA A A 90 90 ? -2.366 10.285 22.407 1.000 4.150 1 697 1
+ATOM N N . SER A A 91 91 ? -2.704 13.142 21.390 1.000 7.900 1 698 1
+ATOM C CA . SER A A 91 91 ? -2.271 14.538 21.243 1.000 5.160 1 699 1
+ATOM C C . SER A A 91 91 ? -3.335 15.615 21.450 1.000 5.990 1 700 1
+ATOM O O . SER A A 91 91 ? -3.088 16.646 22.107 1.000 6.670 1 701 1
+ATOM C CB . SER A A 91 91 ? -1.709 14.771 19.858 1.000 9.900 1 702 1
+ATOM O OG . SER A A 91 91 ? -0.485 14.073 19.653 1.000 5.990 1 703 1
+ATOM N N . VAL A A 92 92 ? -4.499 15.339 20.885 1.000 7.380 1 704 1
+ATOM C CA . VAL A A 92 92 ? -5.696 16.168 21.065 1.000 9.470 1 705 1
+ATOM C C . VAL A A 92 92 ? -6.000 16.144 22.563 1.000 8.290 1 706 1
+ATOM O O . VAL A A 92 92 ? -6.050 17.201 23.229 1.000 5.110 1 707 1
+ATOM C CB . VAL A A 92 92 ? -6.839 15.621 20.222 1.000 6.940 1 708 1
+ATOM C CG1 . VAL A A 92 92 ? -8.256 15.940 20.758 1.000 5.200 1 709 1
+ATOM C CG2 . VAL A A 92 92 ? -6.685 15.967 18.764 1.000 5.200 1 710 1
+ATOM N N . ASN A A 93 93 ? -6.191 14.933 23.056 1.000 6.830 1 711 1
+ATOM C CA . ASN A A 93 93 ? -6.649 14.687 24.429 1.000 8.220 1 712 1
+ATOM C C . ASN A A 93 93 ? -5.798 15.516 25.392 1.000 8.440 1 713 1
+ATOM O O . ASN A A 93 93 ? -6.318 16.114 26.357 1.000 6.510 1 714 1
+ATOM C CB . ASN A A 93 93 ? -6.543 13.180 24.747 1.000 5.420 1 715 1
+ATOM C CG . ASN A A 93 93 ? -7.855 12.475 24.517 1.000 6.220 1 716 1
+ATOM O OD1 . ASN A A 93 93 ? -8.905 13.286 24.106 1.000 4.860 1 717 1
+ATOM N ND2 . ASN A A 93 93 ? -8.054 11.291 24.719 1.000 4.860 1 718 1
+ATOM N N . CYS A A 94 94 ? -4.507 15.530 25.098 1.000 6.260 1 719 1
+ATOM C CA . CYS A A 94 94 ? -3.491 16.132 25.968 1.000 5.760 1 720 1
+ATOM C C . CYS A A 94 94 ? -3.460 17.640 25.717 1.000 7.190 1 721 1
+ATOM O O . CYS A A 94 94 ? -3.312 18.448 26.658 1.000 7.240 1 722 1
+ATOM C CB . CYS A A 94 94 ? -2.104 15.661 25.614 1.000 7.700 1 723 1
+ATOM S SG . CYS A A 94 94 ? -0.751 16.286 26.655 1.000 17.520 1 724 1
+ATOM N N . ALA A A 95 95 ? -3.608 17.978 24.446 1.000 8.040 1 725 1
+ATOM C CA . ALA A A 95 95 ? -3.642 19.372 23.984 1.000 4.760 1 726 1
+ATOM C C . ALA A A 95 95 ? -4.806 20.146 24.604 1.000 7.510 1 727 1
+ATOM O O . ALA A A 95 95 ? -4.728 21.376 24.808 1.000 9.400 1 728 1
+ATOM C CB . ALA A A 95 95 ? -3.884 19.371 22.467 1.000 8.340 1 729 1
+ATOM N N . LYS A A 96 96 ? -5.859 19.397 24.892 1.000 5.340 1 730 1
+ATOM C CA . LYS A A 96 96 ? -7.077 19.930 25.515 1.000 3.690 1 731 1
+ATOM C C . LYS A A 96 96 ? -6.787 20.418 26.936 1.000 7.220 1 732 1
+ATOM O O . LYS A A 96 96 ? -7.221 21.518 27.341 1.000 7.120 1 733 1
+ATOM C CB . LYS A A 96 96 ? -8.173 18.872 25.577 1.000 5.180 1 734 1
+ATOM C CG . LYS A A 96 96 ? -8.864 18.597 24.253 1.000 6.160 1 735 1
+ATOM C CD . LYS A A 96 96 ? -10.303 18.152 24.471 1.000 6.550 1 736 1
+ATOM C CE . LYS A A 96 96 ? -10.943 17.676 23.175 1.000 2.930 1 737 1
+ATOM N NZ . LYS A A 96 96 ? -11.372 16.265 23.285 1.000 5.320 1 738 1
+ATOM N N . LYS A A 97 97 ? -6.053 19.583 27.655 1.000 7.900 1 739 1
+ATOM C CA . LYS A A 97 97 ? -5.564 19.899 29.003 1.000 6.120 1 740 1
+ATOM C C . LYS A A 97 97 ? -4.650 21.123 29.083 1.000 7.790 1 741 1
+ATOM O O . LYS A A 97 97 ? -4.714 21.914 30.048 1.000 8.520 1 742 1
+ATOM C CB . LYS A A 97 97 ? -4.777 18.734 29.592 1.000 3.200 1 743 1
+ATOM C CG . LYS A A 97 97 ? -5.631 17.629 30.185 1.000 3.570 1 744 1
+ATOM C CD . LYS A A 97 97 ? -5.012 17.090 31.470 1.000 4.690 1 745 1
+ATOM C CE . LYS A A 97 97 ? -6.040 16.365 32.325 1.000 5.340 1 746 1
+ATOM N NZ . LYS A A 97 97 ? -5.848 16.676 33.758 1.000 3.610 1 747 1
+ATOM N N . ILE A A 98 98 ? -3.822 21.247 28.057 1.000 6.490 1 748 1
+ATOM C CA . ILE A A 98 98 ? -2.695 22.188 28.043 1.000 7.090 1 749 1
+ATOM C C . ILE A A 98 98 ? -3.443 23.520 27.957 1.000 8.850 1 750 1
+ATOM O O . ILE A A 98 98 ? -3.258 24.420 28.803 1.000 0.960 1 751 1
+ATOM C CB . ILE A A 98 98 ? -1.759 21.946 26.833 1.000 10.990 1 752 1
+ATOM C CG1 . ILE A A 98 98 ? -0.719 20.822 27.091 1.000 5.840 1 753 1
+ATOM C CG2 . ILE A A 98 98 ? -1.197 23.348 26.589 1.000 6.760 1 754 1
+ATOM C CD1 . ILE A A 98 98 ? -0.368 19.997 25.832 1.000 5.680 1 755 1
+ATOM N N . VAL A A 99 99 ? -4.277 23.605 26.933 1.000 4.980 1 756 1
+ATOM C CA . VAL A A 99 99 ? -5.126 24.777 26.684 1.000 4.350 1 757 1
+ATOM C C . VAL A A 99 99 ? -6.220 25.287 27.623 1.000 6.260 1 758 1
+ATOM O O . VAL A A 99 99 ? -6.579 26.485 27.604 1.000 4.540 1 759 1
+ATOM C CB . VAL A A 99 99 ? -5.881 24.599 25.374 1.000 4.580 1 760 1
+ATOM C CG1 . VAL A A 99 99 ? -7.242 23.869 25.500 1.000 4.510 1 761 1
+ATOM C CG2 . VAL A A 99 99 ? -5.991 25.888 24.602 1.000 4.510 1 762 1
+ATOM N N . SER A A 100 100 ? -6.719 24.361 28.426 1.000 6.280 1 763 1
+ATOM C CA . SER A A 100 100 ? -7.754 24.640 29.429 1.000 6.270 1 764 1
+ATOM C C . SER A A 100 100 ? -7.148 25.347 30.644 1.000 6.620 1 765 1
+ATOM O O . SER A A 100 100 ? -7.856 26.042 31.404 1.000 2.150 1 766 1
+ATOM C CB . SER A A 100 100 ? -8.411 23.354 29.880 1.000 7.280 1 767 1
+ATOM O OG . SER A A 100 100 ? -9.394 22.901 28.952 1.000 2.060 1 768 1
+ATOM N N . ASP A A 101 101 ? -5.846 25.151 30.791 1.000 5.730 1 769 1
+ATOM C CA . ASP A A 101 101 ? -5.195 25.028 32.101 1.000 6.230 1 770 1
+ATOM C C . ASP A A 101 101 ? -4.688 26.407 32.526 1.000 5.680 1 771 1
+ATOM O O . ASP A A 101 101 ? -4.196 26.592 33.660 1.000 3.170 1 772 1
+ATOM C CB . ASP A A 101 101 ? -4.040 24.008 32.010 1.000 2.310 1 773 1
+ATOM C CG . ASP A A 101 101 ? -4.250 23.038 30.875 1.000 1.840 1 774 1
+ATOM O OD1 . ASP A A 101 101 ? -5.315 22.517 30.592 1.000 1.650 1 775 1
+ATOM O OD2 . ASP A A 101 101 ? -3.289 22.831 30.187 1.000 1.650 1 776 1
+ATOM N N . GLY A A 102 102 ? -4.827 27.343 31.600 1.000 6.060 1 777 1
+ATOM C CA . GLY A A 102 102 ? -4.564 28.766 31.850 1.000 6.780 1 778 1
+ATOM C C . GLY A A 102 102 ? -4.189 29.899 30.893 1.000 4.780 1 779 1
+ATOM O O . GLY A A 102 102 ? -4.797 30.990 30.915 1.000 4.700 1 780 1
+ATOM N N . ASN A A 103 103 ? -3.194 29.603 30.071 1.000 6.080 1 781 1
+ATOM C CA . ASN A A 103 103 ? -2.659 30.551 29.085 1.000 7.320 1 782 1
+ATOM C C . ASN A A 103 103 ? -3.235 30.404 27.676 1.000 7.200 1 783 1
+ATOM O O . ASN A A 103 103 ? -2.774 31.062 26.718 1.000 8.070 1 784 1
+ATOM C CB . ASN A A 103 103 ? -1.126 30.391 28.992 1.000 6.180 1 785 1
+ATOM C CG . ASN A A 103 103 ? -0.485 30.448 30.354 1.000 3.930 1 786 1
+ATOM O OD1 . ASN A A 103 103 ? -0.597 31.374 31.138 1.000 1.930 1 787 1
+ATOM N ND2 . ASN A A 103 103 ? 0.126 29.467 30.680 1.000 1.930 1 788 1
+ATOM N N . GLY A A 104 104 ? -4.236 29.544 27.590 1.000 6.110 1 789 1
+ATOM C CA . GLY A A 104 104 ? -4.933 29.247 26.332 1.000 3.960 1 790 1
+ATOM C C . GLY A A 104 104 ? -3.781 28.789 25.437 1.000 8.850 1 791 1
+ATOM O O . GLY A A 104 104 ? -2.788 28.199 25.915 1.000 5.700 1 792 1
+ATOM N N . MET A A 105 105 ? -3.944 29.079 24.156 1.000 7.610 1 793 1
+ATOM C CA . MET A A 105 105 ? -2.996 28.667 23.113 1.000 5.880 1 794 1
+ATOM C C . MET A A 105 105 ? -1.664 29.416 23.044 1.000 7.150 1 795 1
+ATOM O O . MET A A 105 105 ? -0.854 29.206 22.114 1.000 7.920 1 796 1
+ATOM C CB . MET A A 105 105 ? -3.645 28.821 21.715 1.000 4.340 1 797 1
+ATOM C CG . MET A A 105 105 ? -4.905 27.990 21.606 1.000 7.080 1 798 1
+ATOM S SD . MET A A 105 105 ? -5.271 27.559 19.909 1.000 18.170 1 799 1
+ATOM C CE . MET A A 105 105 ? -3.740 26.779 19.481 1.000 6.970 1 800 1
+ATOM N N . ASN A A 106 106 ? -1.471 30.270 24.038 1.000 8.680 1 801 1
+ATOM C CA . ASN A A 106 106 ? -0.252 31.077 24.179 1.000 7.470 1 802 1
+ATOM C C . ASN A A 106 106 ? 0.834 30.083 24.591 1.000 6.720 1 803 1
+ATOM O O . ASN A A 106 106 ? 2.046 30.376 24.498 1.000 7.620 1 804 1
+ATOM C CB . ASN A A 106 106 ? -0.486 32.190 25.224 1.000 7.620 1 805 1
+ATOM C CG . ASN A A 106 106 ? -1.276 33.332 24.641 1.000 7.060 1 806 1
+ATOM O OD1 . ASN A A 106 106 ? -0.738 33.911 23.498 1.000 7.110 1 807 1
+ATOM N ND2 . ASN A A 106 106 ? -2.291 33.799 25.129 1.000 7.110 1 808 1
+ATOM N N . ALA A A 107 107 ? 0.368 28.926 25.033 1.000 6.980 1 809 1
+ATOM C CA . ALA A A 107 107 ? 1.231 27.860 25.559 1.000 5.100 1 810 1
+ATOM C C . ALA A A 107 107 ? 2.097 27.357 24.404 1.000 8.170 1 811 1
+ATOM O O . ALA A A 107 107 ? 3.119 26.669 24.616 1.000 5.180 1 812 1
+ATOM C CB . ALA A A 107 107 ? 0.377 26.663 26.009 1.000 7.330 1 813 1
+ATOM N N . TRP A A 108 108 ? 1.665 27.720 23.207 1.000 7.310 1 814 1
+ATOM C CA . TRP A A 108 108 ? 2.358 27.366 21.961 1.000 9.280 1 815 1
+ATOM C C . TRP A A 108 108 ? 3.015 28.582 21.305 1.000 5.670 1 816 1
+ATOM O O . TRP A A 108 108 ? 2.361 29.343 20.558 1.000 7.480 1 817 1
+ATOM C CB . TRP A A 108 108 ? 1.355 26.718 21.008 1.000 6.860 1 818 1
+ATOM C CG . TRP A A 108 108 ? 0.976 25.223 21.328 1.000 5.390 1 819 1
+ATOM C CD1 . TRP A A 108 108 ? 1.697 24.108 21.145 1.000 6.330 1 820 1
+ATOM C CD2 . TRP A A 108 108 ? -0.209 24.797 21.936 1.000 7.370 1 821 1
+ATOM N NE1 . TRP A A 108 108 ? 0.928 22.954 21.572 1.000 4.990 1 822 1
+ATOM C CE2 . TRP A A 108 108 ? -0.166 23.379 22.073 1.000 7.200 1 823 1
+ATOM C CE3 . TRP A A 108 108 ? -1.317 25.481 22.381 1.000 7.150 1 824 1
+ATOM C CZ2 . TRP A A 108 108 ? -1.172 22.592 22.641 1.000 6.460 1 825 1
+ATOM C CZ3 . TRP A A 108 108 ? -2.333 24.676 22.939 1.000 5.130 1 826 1
+ATOM C CH2 . TRP A A 108 108 ? -2.242 23.301 23.098 1.000 2.030 1 827 1
+ATOM N N . VAL A A 109 109 ? 4.298 28.728 21.599 1.000 8.540 1 828 1
+ATOM C CA . VAL A A 109 109 ? 5.094 29.887 21.171 1.000 9.580 1 829 1
+ATOM C C . VAL A A 109 109 ? 4.820 30.215 19.703 1.000 7.440 1 830 1
+ATOM O O . VAL A A 109 109 ? 4.593 31.388 19.336 1.000 6.200 1 831 1
+ATOM C CB . VAL A A 109 109 ? 6.575 29.603 21.382 1.000 4.400 1 832 1
+ATOM C CG1 . VAL A A 109 109 ? 7.011 28.150 21.068 1.000 1.470 1 833 1
+ATOM C CG2 . VAL A A 109 109 ? 7.449 30.625 20.703 1.000 1.470 1 834 1
+ATOM N N . ALA A A 110 110 ? 4.844 29.162 18.902 1.000 8.960 1 835 1
+ATOM C CA . ALA A A 110 110 ? 4.474 29.226 17.483 1.000 4.990 1 836 1
+ATOM C C . ALA A A 110 110 ? 3.117 29.809 17.086 1.000 2.950 1 837 1
+ATOM O O . ALA A A 110 110 ? 3.007 30.579 16.107 1.000 6.610 1 838 1
+ATOM C CB . ALA A A 110 110 ? 4.465 27.760 17.017 1.000 4.320 1 839 1
+ATOM N N . TRP A A 111 111 ? 2.117 29.427 17.865 1.000 7.570 1 840 1
+ATOM C CA . TRP A A 111 111 ? 0.732 29.873 17.670 1.000 7.220 1 841 1
+ATOM C C . TRP A A 111 111 ? 0.717 31.377 17.949 1.000 9.330 1 842 1
+ATOM O O . TRP A A 111 111 ? 0.276 32.185 17.103 1.000 8.720 1 843 1
+ATOM C CB . TRP A A 111 111 ? -0.178 29.073 18.602 1.000 5.030 1 844 1
+ATOM C CG . TRP A A 111 111 ? -1.496 29.887 18.321 1.000 4.630 1 845 1
+ATOM C CD1 . TRP A A 111 111 ? -2.359 29.778 17.300 1.000 5.210 1 846 1
+ATOM C CD2 . TRP A A 111 111 ? -2.041 30.866 19.157 1.000 8.520 1 847 1
+ATOM N NE1 . TRP A A 111 111 ? -3.421 30.755 17.453 1.000 6.300 1 848 1
+ATOM C CE2 . TRP A A 111 111 ? -3.243 31.351 18.566 1.000 7.600 1 849 1
+ATOM C CE3 . TRP A A 111 111 ? -1.624 31.390 20.359 1.000 6.130 1 850 1
+ATOM C CZ2 . TRP A A 111 111 ? -4.071 32.336 19.114 1.000 5.880 1 851 1
+ATOM C CZ3 . TRP A A 111 111 ? -2.458 32.393 20.896 1.000 5.140 1 852 1
+ATOM C CH2 . TRP A A 111 111 ? -3.647 32.814 20.318 1.000 5.530 1 853 1
+ATOM N N . ARG A A 112 112 ? 1.206 31.713 19.134 1.000 6.140 1 854 1
+ATOM C CA . ARG A A 112 112 ? 1.321 33.104 19.591 1.000 7.160 1 855 1
+ATOM C C . ARG A A 112 112 ? 1.993 34.098 18.643 1.000 13.000 1 856 1
+ATOM O O . ARG A A 112 112 ? 1.458 35.195 18.374 1.000 5.490 1 857 1
+ATOM C CB . ARG A A 112 112 ? 2.129 33.197 20.901 1.000 8.480 1 858 1
+ATOM C CG . ARG A A 112 112 ? 2.323 34.631 21.428 1.000 4.240 1 859 1
+ATOM C CD . ARG A A 112 112 ? 3.227 34.620 22.645 1.000 6.360 1 860 1
+ATOM N NE . ARG A A 112 112 ? 3.352 33.262 23.200 1.000 6.550 1 861 1
+ATOM C CZ . ARG A A 112 112 ? 4.533 32.711 23.554 1.000 1.380 1 862 1
+ATOM N NH1 . ARG A A 112 112 ? 5.690 33.338 23.294 1.000 3.690 1 863 1
+ATOM N NH2 . ARG A A 112 112 ? 4.535 31.543 24.171 1.000 3.690 1 864 1
+ATOM N N . ASN A A 113 113 ? 3.152 33.682 18.156 1.000 7.370 1 865 1
+ATOM C CA . ASN A A 113 113 ? 3.974 34.485 17.242 1.000 4.170 1 866 1
+ATOM C C . ASN A A 113 113 ? 3.701 34.537 15.738 1.000 4.050 1 867 1
+ATOM O O . ASN A A 113 113 ? 4.036 35.528 15.055 1.000 9.080 1 868 1
+ATOM C CB . ASN A A 113 113 ? 5.448 34.033 17.339 1.000 2.990 1 869 1
+ATOM C CG . ASN A A 113 113 ? 6.091 34.527 18.608 1.000 7.810 1 870 1
+ATOM O OD1 . ASN A A 113 113 ? 5.666 35.439 19.295 1.000 6.540 1 871 1
+ATOM N ND2 . ASN A A 113 113 ? 7.211 33.819 19.025 1.000 6.540 1 872 1
+ATOM N N . ARG A A 114 114 ? 3.090 33.463 15.264 1.000 10.460 1 873 1
+ATOM C CA . ARG A A 114 114 ? 2.707 33.315 13.854 1.000 8.350 1 874 1
+ATOM C C . ARG A A 114 114 ? 1.272 33.006 13.425 1.000 9.440 1 875 1
+ATOM O O . ARG A A 114 114 ? 0.968 32.904 12.216 1.000 7.580 1 876 1
+ATOM C CB . ARG A A 114 114 ? 3.494 32.174 13.177 1.000 7.040 1 877 1
+ATOM C CG . ARG A A 114 114 ? 4.864 31.879 13.816 1.000 4.860 1 878 1
+ATOM C CD . ARG A A 114 114 ? 5.576 30.787 13.041 1.000 4.760 1 879 1
+ATOM N NE . ARG A A 114 114 ? 5.894 31.230 11.674 1.000 10.020 1 880 1
+ATOM C CZ . ARG A A 114 114 ? 6.600 30.482 10.797 1.000 3.540 1 881 1
+ATOM N NH1 . ARG A A 114 114 ? 7.459 29.545 11.227 1.000 4.400 1 882 1
+ATOM N NH2 . ARG A A 114 114 ? 6.427 30.680 9.502 1.000 4.400 1 883 1
+ATOM N N . CYS A A 115 115 ? 0.424 32.870 14.433 1.000 3.860 1 884 1
+ATOM C CA . CYS A A 115 115 ? -0.977 32.469 14.254 1.000 5.720 1 885 1
+ATOM C C . CYS A A 115 115 ? -1.939 33.510 14.827 1.000 8.420 1 886 1
+ATOM O O . CYS A A 115 115 ? -2.800 34.059 14.105 1.000 10.340 1 887 1
+ATOM C CB . CYS A A 115 115 ? -1.473 31.102 14.660 1.000 8.910 1 888 1
+ATOM S SG . CYS A A 115 115 ? -0.692 29.682 13.829 1.000 17.650 1 889 1
+ATOM N N . LYS A A 116 116 ? -1.762 33.759 16.116 1.000 13.980 1 890 1
+ATOM C CA . LYS A A 116 116 ? -2.486 34.814 16.838 1.000 6.580 1 891 1
+ATOM C C . LYS A A 116 116 ? -2.683 36.087 16.014 1.000 9.010 1 892 1
+ATOM O O . LYS A A 116 116 ? -1.707 36.766 15.631 1.000 7.100 1 893 1
+ATOM C CB . LYS A A 116 116 ? -1.752 35.214 18.113 1.000 3.170 1 894 1
+ATOM C CG . LYS A A 116 116 ? -2.639 35.792 19.199 1.000 5.970 1 895 1
+ATOM C CD . LYS A A 116 116 ? -2.044 35.546 20.581 1.000 4.240 1 896 1
+ATOM C CE . LYS A A 116 116 ? -2.520 36.581 21.588 1.000 5.250 1 897 1
+ATOM N NZ . LYS A A 116 116 ? -1.714 36.521 22.827 1.000 7.600 1 898 1
+ATOM N N . GLY A A 117 117 ? -3.951 36.379 15.766 1.000 5.560 1 899 1
+ATOM C CA . GLY A A 117 117 ? -4.378 37.635 15.138 1.000 5.290 1 900 1
+ATOM C C . GLY A A 117 117 ? -4.172 37.815 13.634 1.000 4.380 1 901 1
+ATOM O O . GLY A A 117 117 ? -3.896 38.934 13.149 1.000 5.660 1 902 1
+ATOM N N . THR A A 118 118 ? -4.318 36.702 12.932 1.000 7.500 1 903 1
+ATOM C CA . THR A A 118 118 ? -4.023 36.614 11.496 1.000 5.500 1 904 1
+ATOM C C . THR A A 118 118 ? -5.438 36.035 11.459 1.000 8.630 1 905 1
+ATOM O O . THR A A 118 118 ? -6.058 35.778 12.513 1.000 8.510 1 906 1
+ATOM C CB . THR A A 118 118 ? -2.752 35.756 11.344 1.000 4.450 1 907 1
+ATOM O OG1 . THR A A 118 118 ? -3.207 34.423 11.555 1.000 7.810 1 908 1
+ATOM C CG2 . THR A A 118 118 ? -1.690 36.117 12.347 1.000 6.130 1 909 1
+ATOM N N . ASP A A 119 119 ? -5.909 35.841 10.237 1.000 7.420 1 910 1
+ATOM C CA . ASP A A 119 119 ? -7.293 35.432 9.966 1.000 3.260 1 911 1
+ATOM C C . ASP A A 119 119 ? -6.909 33.976 9.700 1.000 6.670 1 912 1
+ATOM O O . ASP A A 119 119 ? -6.432 33.626 8.599 1.000 8.900 1 913 1
+ATOM C CB . ASP A A 119 119 ? -7.860 36.269 8.799 1.000 3.540 1 914 1
+ATOM C CG . ASP A A 119 119 ? -8.096 35.418 7.580 1.000 6.730 1 915 1
+ATOM O OD1 . ASP A A 119 119 ? -9.160 35.320 6.994 1.000 1.850 1 916 1
+ATOM O OD2 . ASP A A 119 119 ? -7.128 34.853 7.148 1.000 1.850 1 917 1
+ATOM N N . VAL A A 120 120 ? -7.134 33.163 10.721 1.000 5.880 1 918 1
+ATOM C CA . VAL A A 120 120 ? -6.730 31.751 10.726 1.000 6.100 1 919 1
+ATOM C C . VAL A A 120 120 ? -7.663 30.801 9.977 1.000 5.790 1 920 1
+ATOM O O . VAL A A 120 120 ? -7.279 29.664 9.623 1.000 5.290 1 921 1
+ATOM C CB . VAL A A 120 120 ? -6.614 31.252 12.160 1.000 5.760 1 922 1
+ATOM C CG1 . VAL A A 120 120 ? -5.449 31.869 12.972 1.000 4.650 1 923 1
+ATOM C CG2 . VAL A A 120 120 ? -7.927 31.324 12.894 1.000 4.650 1 924 1
+ATOM N N . GLN A A 121 121 ? -8.870 31.296 9.750 1.000 5.190 1 925 1
+ATOM C CA . GLN A A 121 121 ? -9.825 30.681 8.823 1.000 6.020 1 926 1
+ATOM C C . GLN A A 121 121 ? -9.328 30.237 7.452 1.000 6.680 1 927 1
+ATOM O O . GLN A A 121 121 ? -9.892 29.314 6.827 1.000 5.820 1 928 1
+ATOM C CB . GLN A A 121 121 ? -10.949 31.655 8.600 1.000 6.940 1 929 1
+ATOM C CG . GLN A A 121 121 ? -11.879 31.743 9.729 1.000 1.720 1 930 1
+ATOM C CD . GLN A A 121 121 ? -13.137 32.586 9.474 1.000 0.910 1 931 1
+ATOM O OE1 . GLN A A 121 121 ? -14.225 32.236 10.048 1.000 2.300 1 932 1
+ATOM N NE2 . GLN A A 121 121 ? -13.029 33.623 8.757 1.000 2.300 1 933 1
+ATOM N N . ALA A A 122 122 ? -8.270 30.906 7.020 1.000 7.870 1 934 1
+ATOM C CA . ALA A A 122 122 ? -7.629 30.645 5.725 1.000 7.720 1 935 1
+ATOM C C . ALA A A 122 122 ? -7.007 29.250 5.645 1.000 6.200 1 936 1
+ATOM O O . ALA A A 122 122 ? -6.693 28.747 4.544 1.000 5.550 1 937 1
+ATOM C CB . ALA A A 122 122 ? -6.469 31.642 5.564 1.000 2.870 1 938 1
+ATOM N N . TRP A A 123 123 ? -6.851 28.660 6.819 1.000 5.880 1 939 1
+ATOM C CA . TRP A A 123 123 ? -6.268 27.322 6.975 1.000 6.990 1 940 1
+ATOM C C . TRP A A 123 123 ? -7.232 26.167 6.703 1.000 9.220 1 941 1
+ATOM O O . TRP A A 123 123 ? -6.815 25.056 6.309 1.000 6.320 1 942 1
+ATOM C CB . TRP A A 123 123 ? -5.714 27.188 8.393 1.000 4.930 1 943 1
+ATOM C CG . TRP A A 123 123 ? -4.401 28.049 8.492 1.000 6.070 1 944 1
+ATOM C CD1 . TRP A A 123 123 ? -4.165 29.156 9.207 1.000 6.330 1 945 1
+ATOM C CD2 . TRP A A 123 123 ? -3.187 27.756 7.863 1.000 5.360 1 946 1
+ATOM N NE1 . TRP A A 123 123 ? -2.809 29.614 8.969 1.000 6.660 1 947 1
+ATOM C CE2 . TRP A A 123 123 ? -2.238 28.759 8.217 1.000 7.600 1 948 1
+ATOM C CE3 . TRP A A 123 123 ? -2.804 26.736 7.023 1.000 6.010 1 949 1
+ATOM C CZ2 . TRP A A 123 123 ? -0.910 28.801 7.782 1.000 3.840 1 950 1
+ATOM C CZ3 . TRP A A 123 123 ? -1.467 26.796 6.578 1.000 5.990 1 951 1
+ATOM C CH2 . TRP A A 123 123 ? -0.553 27.762 6.976 1.000 5.990 1 952 1
+ATOM N N . ILE A A 124 124 ? -8.504 26.465 6.917 1.000 8.620 1 953 1
+ATOM C CA . ILE A A 124 124 ? -9.607 25.561 6.574 1.000 3.570 1 954 1
+ATOM C C . ILE A A 124 124 ? -10.546 25.869 5.406 1.000 4.850 1 955 1
+ATOM O O . ILE A A 124 124 ? -11.634 25.266 5.278 1.000 6.080 1 956 1
+ATOM C CB . ILE A A 124 124 ? -10.605 25.401 7.747 1.000 7.880 1 957 1
+ATOM C CG1 . ILE A A 124 124 ? -11.101 26.762 8.307 1.000 3.940 1 958 1
+ATOM C CG2 . ILE A A 124 124 ? -9.812 24.518 8.711 1.000 5.630 1 959 1
+ATOM C CD1 . ILE A A 124 124 ? -12.219 26.630 9.363 1.000 3.970 1 960 1
+ATOM N N . ARG A A 125 125 ? -10.094 26.800 4.579 1.000 5.740 1 961 1
+ATOM C CA . ARG A A 125 125 ? -10.680 27.053 3.257 1.000 7.800 1 962 1
+ATOM C C . ARG A A 125 125 ? -10.400 25.834 2.377 1.000 4.300 1 963 1
+ATOM O O . ARG A A 125 125 ? -9.302 25.241 2.427 1.000 5.590 1 964 1
+ATOM C CB . ARG A A 125 125 ? -10.079 28.318 2.611 1.000 2.090 1 965 1
+ATOM C CG . ARG A A 125 125 ? -10.882 29.607 2.869 1.000 1.230 1 966 1
+ATOM C CD . ARG A A 125 125 ? -10.241 30.773 2.143 1.000 2.550 1 967 1
+ATOM N NE . ARG A A 125 125 ? -9.998 31.898 3.060 1.000 1.580 1 968 1
+ATOM C CZ . ARG A A 125 125 ? -9.027 32.814 2.868 1.000 1.000 1 969 1
+ATOM N NH1 . ARG A A 125 125 ? -8.153 32.687 1.860 1.000 2.270 1 970 1
+ATOM N NH2 . ARG A A 125 125 ? -8.950 33.847 3.688 1.000 2.270 1 971 1
+ATOM N N . GLY A A 126 126 ? -11.408 25.495 1.588 1.000 6.660 1 972 1
+ATOM C CA . GLY A A 126 126 ? -11.354 24.358 0.661 1.000 1.760 1 973 1
+ATOM C C . GLY A A 126 126 ? -11.981 23.090 1.241 1.000 5.620 1 974 1
+ATOM O O . GLY A A 126 126 ? -12.497 22.227 0.498 1.000 1.370 1 975 1
+ATOM N N . CYS A A 127 127 ? -11.923 23.014 2.562 1.000 7.450 1 976 1
+ATOM C CA . CYS A A 127 127 ? -12.328 21.822 3.316 1.000 4.380 1 977 1
+ATOM C C . CYS A A 127 127 ? -13.810 21.466 3.444 1.000 5.550 1 978 1
+ATOM O O . CYS A A 127 127 ? -14.658 22.333 3.747 1.000 5.820 1 979 1
+ATOM C CB . CYS A A 127 127 ? -11.477 21.725 4.558 1.000 1.500 1 980 1
+ATOM S SG . CYS A A 127 127 ? -9.740 22.242 4.384 1.000 14.600 1 981 1
+ATOM N N . ARG A A 128 128 ? -14.081 20.191 3.213 1.000 4.410 1 982 1
+ATOM C CA . ARG A A 128 128 ? -15.407 19.600 3.434 1.000 2.690 1 983 1
+ATOM C C . ARG A A 128 128 ? -15.228 19.414 4.941 1.000 7.310 1 984 1
+ATOM O O . ARG A A 128 128 ? -14.487 18.516 5.396 1.000 1.900 1 985 1
+ATOM C CB . ARG A A 128 128 ? -15.590 18.312 2.604 1.000 0.350 1 986 1
+ATOM C CG . ARG A A 128 128 ? -14.719 18.243 1.335 1.000 1.360 1 987 1
+ATOM C CD . ARG A A 128 128 ? -14.891 16.897 0.658 1.000 3.920 1 988 1
+ATOM N NE . ARG A A 128 128 ? -13.854 16.681 -0.364 1.000 0.250 1 989 1
+ATOM C CZ . ARG A A 128 128 ? -13.411 15.458 -0.724 1.000 0.540 1 990 1
+ATOM N NH1 . ARG A A 128 128 ? -13.787 14.365 -0.047 1.000 2.810 1 991 1
+ATOM N NH2 . ARG A A 128 128 ? -12.600 15.351 -1.762 1.000 2.810 1 992 1
+ATOM N N . LEU A A 129 129 ? -15.920 20.270 5.677 1.000 1.460 1 993 1
+ATOM C CA . LEU A A 129 129 ? -15.930 20.242 7.145 1.000 6.530 1 994 1
+ATOM C C . LEU A A 129 129 ? -17.437 20.359 7.380 1.000 8.260 1 995 1
+ATOM O O . LEU A A 129 129 ? -18.187 20.864 6.516 1.000 4.340 1 996 1
+ATOM C CB . LEU A A 129 129 ? -15.086 21.404 7.703 1.000 4.410 1 997 1
+ATOM C CG . LEU A A 129 129 ? -13.595 21.390 7.436 1.000 3.740 1 998 1
+ATOM C CD1 . LEU A A 129 129 ? -12.954 22.586 8.097 1.000 3.020 1 999 1
+ATOM C CD2 . LEU A A 129 129 ? -12.974 20.117 7.959 1.000 3.020 1 1000 1
+ATOM O OXT . LEU A A 129 129 ? -17.840 19.891 8.551 1.000 4.690 1 1001 1
diff --git a/modules/foxs/test/test_saxs.py b/modules/foxs/test/test_saxs.py
index 775589c206..863c7cc997 100644
--- a/modules/foxs/test/test_saxs.py
+++ b/modules/foxs/test/test_saxs.py
@@ -24,6 +24,22 @@ def test_simple(self):
         for out in ('6lyz.pdb.dat', '6lyz_lyzexp.dat', '6lyz_lyzexp.plt', '6lyz.plt'):
             os.unlink(self.get_input_file_name(out))
 
+    def test_simple_cif(self):
+        """Simple test of SAXS profile application with mmCIF input"""
+        p = self.run_application('foxs',
+                                 ['-g',
+                                  self.get_input_file_name('6lyz.cif'),
+                                  self.get_input_file_name('lyzexp.dat')])
+        out, err = p.communicate()
+        sys.stderr.write(err)
+        self.assertApplicationExitedCleanly(p.returncode, err)
+        m = re.search('Chi\^2\s+=\s+([\d\.]+)\r?', out)
+        self.assertIsNotNone(m, msg="Chi output not found in " + str(out))
+        self.assertAlmostEqual(float(m.group(1)), 0.20, delta=0.01)
+        for out in ('6lyz.cif.dat', '6lyz_lyzexp.dat', '6lyz_lyzexp.plt',
+                    '6lyz.plt'):
+            os.unlink(self.get_input_file_name(out))
+
     def test_simple_exp_data_nm(self):
         """Simple test of SAXS profile application"""
         print(self.get_input_file_name('6lyz.pdb'))
diff --git a/modules/saxs/include/utility.h b/modules/saxs/include/utility.h
index d24866dca2..cfa3757fe4 100644
--- a/modules/saxs/include/utility.h
+++ b/modules/saxs/include/utility.h
@@ -101,7 +101,7 @@ Profile* compute_profile(Particles particles,
                          bool vacuum = false,
                          std::string beam_profile_file = "");
 
-//! Read PDB files
+//! Read PDB (or mmCIF) files
 IMPSAXSEXPORT
 void read_pdb(Model *m, const std::string file,
               std::vector<std::string>& pdb_file_names,
diff --git a/modules/saxs/src/utility.cpp b/modules/saxs/src/utility.cpp
index 83a2a7ff9c..37af33848a 100644
--- a/modules/saxs/src/utility.cpp
+++ b/modules/saxs/src/utility.cpp
@@ -6,7 +6,7 @@
 
 #include <IMP/saxs/utility.h>
 #include <IMP/saxs/SolventAccessibleSurface.h>
-#include <IMP/atom/pdb.h>
+#include <IMP/atom/mmcif.h>
 
 IMPSAXS_BEGIN_NAMESPACE
 
@@ -77,15 +77,15 @@ void read_pdb(Model *model, const std::string file,
   }
 
   if (multi_model_pdb == 2) {
-    mhds = read_multimodel_pdb(file, model, selector, true);
+    mhds = read_multimodel_pdb_or_mmcif(file, model, selector, true);
   } else {
     if (multi_model_pdb == 3) {
       IMP::atom::Hierarchy mhd =
-          IMP::atom::read_pdb(file, model, selector, false, true);
+          IMP::atom::read_pdb_or_mmcif(file, model, selector, false, true);
       mhds.push_back(mhd);
     } else {
       IMP::atom::Hierarchy mhd =
-          IMP::atom::read_pdb(file, model, selector, true, true);
+          IMP::atom::read_pdb_or_mmcif(file, model, selector, true, true);
       mhds.push_back(mhd);
     }
   }
@@ -128,7 +128,7 @@ void read_files(Model *m, const std::vector<std::string>& files,
       IMP_WARN("Can't open file " << files[i] << std::endl);
       return;
     }
-    // 1. try as pdb
+    // 1. try as pdb or mmcif
     try {
       read_pdb(m, files[i], pdb_file_names, particles_vec, residue_level,
                heavy_atoms_only, multi_model_pdb, explicit_water);
diff --git a/modules/saxs/test/input/6lyz.cif b/modules/saxs/test/input/6lyz.cif
new file mode 100644
index 0000000000..67911283ac
--- /dev/null
+++ b/modules/saxs/test/input/6lyz.cif
@@ -0,0 +1,1167 @@
+data_model
+#
+_exptl.method 'model, MODELLER Version SVN 2021/07/13 16:51:29'
+#
+_modeller.version SVN
+#
+loop_
+_struct_asym.id
+_struct_asym.entity_id
+_struct_asym.details
+A 1 ?
+#
+loop_
+_entity_poly_seq.entity_id
+_entity_poly_seq.num
+_entity_poly_seq.mon_id
+1 1 LYS
+1 2 VAL
+1 3 PHE
+1 4 GLY
+1 5 ARG
+1 6 CYS
+1 7 GLU
+1 8 LEU
+1 9 ALA
+1 10 ALA
+1 11 ALA
+1 12 MET
+1 13 LYS
+1 14 ARG
+1 15 HIS
+1 16 GLY
+1 17 LEU
+1 18 ASP
+1 19 ASN
+1 20 TYR
+1 21 ARG
+1 22 GLY
+1 23 TYR
+1 24 SER
+1 25 LEU
+1 26 GLY
+1 27 ASN
+1 28 TRP
+1 29 VAL
+1 30 CYS
+1 31 ALA
+1 32 ALA
+1 33 LYS
+1 34 PHE
+1 35 GLU
+1 36 SER
+1 37 ASN
+1 38 PHE
+1 39 ASN
+1 40 THR
+1 41 GLN
+1 42 ALA
+1 43 THR
+1 44 ASN
+1 45 ARG
+1 46 ASN
+1 47 THR
+1 48 ASP
+1 49 GLY
+1 50 SER
+1 51 THR
+1 52 ASP
+1 53 TYR
+1 54 GLY
+1 55 ILE
+1 56 LEU
+1 57 GLN
+1 58 ILE
+1 59 ASN
+1 60 SER
+1 61 ARG
+1 62 TRP
+1 63 TRP
+1 64 CYS
+1 65 ASN
+1 66 ASP
+1 67 GLY
+1 68 ARG
+1 69 THR
+1 70 PRO
+1 71 GLY
+1 72 SER
+1 73 ARG
+1 74 ASN
+1 75 LEU
+1 76 CYS
+1 77 ASN
+1 78 ILE
+1 79 PRO
+1 80 CYS
+1 81 SER
+1 82 ALA
+1 83 LEU
+1 84 LEU
+1 85 SER
+1 86 SER
+1 87 ASP
+1 88 ILE
+1 89 THR
+1 90 ALA
+1 91 SER
+1 92 VAL
+1 93 ASN
+1 94 CYS
+1 95 ALA
+1 96 LYS
+1 97 LYS
+1 98 ILE
+1 99 VAL
+1 100 SER
+1 101 ASP
+1 102 GLY
+1 103 ASN
+1 104 GLY
+1 105 MET
+1 106 ASN
+1 107 ALA
+1 108 TRP
+1 109 VAL
+1 110 ALA
+1 111 TRP
+1 112 ARG
+1 113 ASN
+1 114 ARG
+1 115 CYS
+1 116 LYS
+1 117 GLY
+1 118 THR
+1 119 ASP
+1 120 VAL
+1 121 GLN
+1 122 ALA
+1 123 TRP
+1 124 ILE
+1 125 ARG
+1 126 GLY
+1 127 CYS
+1 128 ARG
+1 129 LEU
+#
+_refine.ls_d_res_high   2.000
+loop_
+_atom_site.group_PDB
+_atom_site.type_symbol
+_atom_site.label_atom_id
+_atom_site.label_alt_id
+_atom_site.label_comp_id
+_atom_site.label_asym_id
+_atom_site.auth_asym_id
+_atom_site.label_seq_id
+_atom_site.auth_seq_id
+_atom_site.pdbx_PDB_ins_code
+_atom_site.Cartn_x
+_atom_site.Cartn_y
+_atom_site.Cartn_z
+_atom_site.occupancy
+_atom_site.B_iso_or_equiv
+_atom_site.label_entity_id
+_atom_site.id
+_atom_site.pdbx_PDB_model_num
+ATOM N N . LYS A A 1 1 ? 3.287 10.092 10.329 1.000 5.890 1 1 1
+ATOM C CA . LYS A A 1 1 ? 2.445 10.457 9.182 1.000 8.160 1 2 1
+ATOM C C . LYS A A 1 1 ? 2.500 11.978 9.038 1.000 8.040 1 3 1
+ATOM O O . LYS A A 1 1 ? 2.588 12.719 10.041 1.000 7.070 1 4 1
+ATOM C CB . LYS A A 1 1 ? 1.006 9.995 9.385 1.000 3.880 1 5 1
+ATOM C CG . LYS A A 1 1 ? 0.016 10.546 8.377 1.000 3.810 1 6 1
+ATOM C CD . LYS A A 1 1 ? -1.404 10.093 8.699 1.000 2.910 1 7 1
+ATOM C CE . LYS A A 1 1 ? -2.269 10.030 7.451 1.000 3.970 1 8 1
+ATOM N NZ . LYS A A 1 1 ? -3.559 9.362 7.735 1.000 2.080 1 9 1
+ATOM N N . VAL A A 2 2 ? 2.441 12.404 7.789 1.000 8.750 1 10 1
+ATOM C CA . VAL A A 2 2 ? 2.396 13.826 7.425 1.000 9.160 1 11 1
+ATOM C C . VAL A A 2 2 ? 1.003 14.071 6.846 1.000 6.430 1 12 1
+ATOM O O . VAL A A 2 2 ? 0.719 13.722 5.679 1.000 4.910 1 13 1
+ATOM C CB . VAL A A 2 2 ? 3.509 14.142 6.435 1.000 7.060 1 14 1
+ATOM C CG1 . VAL A A 2 2 ? 3.490 15.586 5.874 1.000 6.530 1 15 1
+ATOM C CG2 . VAL A A 2 2 ? 4.864 13.746 6.959 1.000 6.530 1 16 1
+ATOM N N . PHE A A 3 3 ? 0.170 14.674 7.679 1.000 4.250 1 17 1
+ATOM C CA . PHE A A 3 3 ? -1.200 15.052 7.311 1.000 7.490 1 18 1
+ATOM C C . PHE A A 3 3 ? -1.320 16.157 6.264 1.000 9.110 1 19 1
+ATOM O O . PHE A A 3 3 ? -0.422 17.016 6.128 1.000 9.900 1 20 1
+ATOM C CB . PHE A A 3 3 ? -1.944 15.502 8.553 1.000 6.650 1 21 1
+ATOM C CG . PHE A A 3 3 ? -2.576 14.509 9.484 1.000 6.920 1 22 1
+ATOM C CD1 . PHE A A 3 3 ? -3.879 14.182 9.312 1.000 5.760 1 23 1
+ATOM C CD2 . PHE A A 3 3 ? -1.854 13.862 10.454 1.000 5.120 1 24 1
+ATOM C CE1 . PHE A A 3 3 ? -4.533 13.235 10.153 1.000 6.100 1 25 1
+ATOM C CE2 . PHE A A 3 3 ? -2.511 12.876 11.267 1.000 7.790 1 26 1
+ATOM C CZ . PHE A A 3 3 ? -3.823 12.611 11.125 1.000 6.200 1 27 1
+ATOM N N . GLY A A 4 4 ? -2.434 16.109 5.552 1.000 6.260 1 28 1
+ATOM C CA . GLY A A 4 4 ? -2.797 17.128 4.559 1.000 3.250 1 29 1
+ATOM C C . GLY A A 4 4 ? -3.512 18.199 5.385 1.000 8.370 1 30 1
+ATOM O O . GLY A A 4 4 ? -4.153 17.897 6.414 1.000 7.030 1 31 1
+ATOM N N . ARG A A 5 5 ? -3.384 19.426 4.904 1.000 5.920 1 32 1
+ATOM C CA . ARG A A 5 5 ? -3.979 20.606 5.546 1.000 9.920 1 33 1
+ATOM C C . ARG A A 5 5 ? -5.429 20.277 5.903 1.000 6.900 1 34 1
+ATOM O O . ARG A A 5 5 ? -5.819 20.286 7.091 1.000 6.480 1 35 1
+ATOM C CB . ARG A A 5 5 ? -3.936 21.832 4.613 1.000 5.720 1 36 1
+ATOM C CG . ARG A A 5 5 ? -4.776 23.030 5.096 1.000 5.850 1 37 1
+ATOM C CD . ARG A A 5 5 ? -4.600 24.202 4.151 1.000 4.800 1 38 1
+ATOM N NE . ARG A A 5 5 ? -5.720 24.288 3.199 1.000 7.540 1 39 1
+ATOM C CZ . ARG A A 5 5 ? -6.899 24.879 3.491 1.000 2.100 1 40 1
+ATOM N NH1 . ARG A A 5 5 ? -7.401 24.838 4.733 1.000 4.850 1 41 1
+ATOM N NH2 . ARG A A 5 5 ? -7.553 25.508 2.531 1.000 4.850 1 42 1
+ATOM N N . CYS A A 6 6 ? -6.190 19.989 4.859 1.000 4.100 1 43 1
+ATOM C CA . CYS A A 6 6 ? -7.588 19.557 4.979 1.000 7.380 1 44 1
+ATOM C C . CYS A A 6 6 ? -7.979 18.286 5.734 1.000 7.850 1 45 1
+ATOM O O . CYS A A 6 6 ? -9.009 18.248 6.442 1.000 3.090 1 46 1
+ATOM C CB . CYS A A 6 6 ? -8.281 19.722 3.493 1.000 8.090 1 47 1
+ATOM S SG . CYS A A 6 6 ? -9.062 21.202 2.777 1.000 9.870 1 48 1
+ATOM N N . GLU A A 7 7 ? -7.139 17.278 5.565 1.000 8.510 1 49 1
+ATOM C CA . GLU A A 7 7 ? -7.298 15.981 6.233 1.000 8.020 1 50 1
+ATOM C C . GLU A A 7 7 ? -7.220 16.067 7.758 1.000 8.570 1 51 1
+ATOM O O . GLU A A 7 7 ? -8.010 15.426 8.481 1.000 3.390 1 52 1
+ATOM C CB . GLU A A 7 7 ? -6.197 14.974 5.798 1.000 6.730 1 53 1
+ATOM C CG . GLU A A 7 7 ? -6.331 13.531 6.327 1.000 5.420 1 54 1
+ATOM C CD . GLU A A 7 7 ? -5.109 12.590 6.005 1.000 3.740 1 55 1
+ATOM O OE1 . GLU A A 7 7 ? -4.252 13.263 5.433 1.000 5.010 1 56 1
+ATOM O OE2 . GLU A A 7 7 ? -5.112 11.432 6.299 1.000 5.010 1 57 1
+ATOM N N . LEU A A 8 8 ? -6.267 16.871 8.205 1.000 8.390 1 58 1
+ATOM C CA . LEU A A 8 8 ? -6.065 17.161 9.628 1.000 9.110 1 59 1
+ATOM C C . LEU A A 8 8 ? -7.166 18.027 10.242 1.000 11.920 1 60 1
+ATOM O O . LEU A A 8 8 ? -7.585 17.812 11.399 1.000 7.920 1 61 1
+ATOM C CB . LEU A A 8 8 ? -4.721 17.886 9.834 1.000 8.410 1 62 1
+ATOM C CG . LEU A A 8 8 ? -4.366 18.337 11.235 1.000 5.230 1 63 1
+ATOM C CD1 . LEU A A 8 8 ? -4.134 17.129 12.110 1.000 4.960 1 64 1
+ATOM C CD2 . LEU A A 8 8 ? -3.132 19.205 11.216 1.000 4.960 1 65 1
+ATOM N N . ALA A A 9 9 ? -7.610 18.984 9.442 1.000 8.160 1 66 1
+ATOM C CA . ALA A A 9 9 ? -8.681 19.915 9.821 1.000 6.940 1 67 1
+ATOM C C . ALA A A 9 9 ? -9.827 18.969 10.168 1.000 7.380 1 68 1
+ATOM O O . ALA A A 9 9 ? -10.361 18.990 11.298 1.000 5.520 1 69 1
+ATOM C CB . ALA A A 9 9 ? -9.164 20.763 8.633 1.000 5.530 1 70 1
+ATOM N N . ALA A A 10 10 ? -10.175 18.158 9.181 1.000 7.040 1 71 1
+ATOM C CA . ALA A A 10 10 ? -11.227 17.143 9.311 1.000 7.960 1 72 1
+ATOM C C . ALA A A 10 10 ? -11.176 16.305 10.589 1.000 7.350 1 73 1
+ATOM O O . ALA A A 10 10 ? -12.198 16.134 11.289 1.000 4.770 1 74 1
+ATOM C CB . ALA A A 10 10 ? -11.035 16.160 8.147 1.000 3.870 1 75 1
+ATOM N N . ALA A A 11 11 ? -9.980 15.811 10.862 1.000 11.080 1 76 1
+ATOM C CA . ALA A A 11 11 ? -9.710 14.962 12.030 1.000 12.720 1 77 1
+ATOM C C . ALA A A 11 11 ? -9.785 15.588 13.423 1.000 5.130 1 78 1
+ATOM O O . ALA A A 11 11 ? -10.251 14.950 14.392 1.000 7.190 1 79 1
+ATOM C CB . ALA A A 11 11 ? -8.262 14.485 11.851 1.000 7.110 1 80 1
+ATOM N N . MET A A 12 12 ? -9.329 16.826 13.485 1.000 8.970 1 81 1
+ATOM C CA . MET A A 12 12 ? -9.312 17.616 14.723 1.000 9.030 1 82 1
+ATOM C C . MET A A 12 12 ? -10.756 17.953 15.082 1.000 7.300 1 83 1
+ATOM O O . MET A A 12 12 ? -11.133 17.990 16.273 1.000 5.400 1 84 1
+ATOM C CB . MET A A 12 12 ? -8.477 18.904 14.518 1.000 9.070 1 85 1
+ATOM C CG . MET A A 12 12 ? -6.997 18.590 14.466 1.000 6.160 1 86 1
+ATOM S SD . MET A A 12 12 ? -6.008 20.077 14.384 1.000 13.340 1 87 1
+ATOM C CE . MET A A 12 12 ? -6.223 20.649 16.046 1.000 2.480 1 88 1
+ATOM N N . LYS A A 13 13 ? -11.532 18.187 14.036 1.000 7.030 1 89 1
+ATOM C CA . LYS A A 13 13 ? -12.968 18.474 14.148 1.000 5.870 1 90 1
+ATOM C C . LYS A A 13 13 ? -13.675 17.265 14.762 1.000 7.750 1 91 1
+ATOM O O . LYS A A 13 13 ? -14.398 17.386 15.774 1.000 11.400 1 92 1
+ATOM C CB . LYS A A 13 13 ? -13.578 18.782 12.785 1.000 9.060 1 93 1
+ATOM C CG . LYS A A 13 13 ? -14.585 19.917 12.784 1.000 1.970 1 94 1
+ATOM C CD . LYS A A 13 13 ? -15.649 19.703 11.711 1.000 4.380 1 95 1
+ATOM C CE . LYS A A 13 13 ? -16.990 20.284 12.131 1.000 7.610 1 96 1
+ATOM N NZ . LYS A A 13 13 ? -18.063 19.857 11.205 1.000 3.210 1 97 1
+ATOM N N . ARG A A 14 14 ? -13.442 16.126 14.130 1.000 4.700 1 98 1
+ATOM C CA . ARG A A 14 14 ? -14.069 14.856 14.511 1.000 5.290 1 99 1
+ATOM C C . ARG A A 14 14 ? -13.738 14.623 15.986 1.000 3.620 1 100 1
+ATOM O O . ARG A A 14 14 ? -14.578 14.120 16.763 1.000 6.440 1 101 1
+ATOM C CB . ARG A A 14 14 ? -13.543 13.693 13.646 1.000 4.140 1 102 1
+ATOM C CG . ARG A A 14 14 ? -14.603 12.632 13.292 1.000 2.510 1 103 1
+ATOM C CD . ARG A A 14 14 ? -14.529 11.475 14.269 1.000 6.090 1 104 1
+ATOM N NE . ARG A A 14 14 ? -13.260 10.743 14.128 1.000 2.950 1 105 1
+ATOM C CZ . ARG A A 14 14 ? -12.936 9.668 14.879 1.000 5.570 1 106 1
+ATOM N NH1 . ARG A A 14 14 ? -13.592 9.402 16.018 1.000 4.030 1 107 1
+ATOM N NH2 . ARG A A 14 14 ? -11.963 8.873 14.472 1.000 4.030 1 108 1
+ATOM N N . HIS A A 15 15 ? -12.517 15.001 16.333 1.000 6.420 1 109 1
+ATOM C CA . HIS A A 15 15 ? -12.027 14.963 17.717 1.000 5.250 1 110 1
+ATOM C C . HIS A A 15 15 ? -12.439 16.053 18.704 1.000 7.840 1 111 1
+ATOM O O . HIS A A 15 15 ? -11.863 16.176 19.807 1.000 3.930 1 112 1
+ATOM C CB . HIS A A 15 15 ? -10.500 14.983 17.698 1.000 5.380 1 113 1
+ATOM C CG . HIS A A 15 15 ? -10.099 13.531 17.614 1.000 6.730 1 114 1
+ATOM N ND1 . HIS A A 15 15 ? -9.925 12.883 16.401 1.000 5.160 1 115 1
+ATOM C CD2 . HIS A A 15 15 ? -9.867 12.602 18.576 1.000 6.160 1 116 1
+ATOM C CE1 . HIS A A 15 15 ? -9.607 11.625 16.639 1.000 4.830 1 117 1
+ATOM N NE2 . HIS A A 15 15 ? -9.545 11.445 17.939 1.000 5.500 1 118 1
+ATOM N N . GLY A A 16 16 ? -13.435 16.816 18.281 1.000 7.580 1 119 1
+ATOM C CA . GLY A A 16 16 ? -14.018 17.896 19.087 1.000 2.070 1 120 1
+ATOM C C . GLY A A 16 16 ? -13.264 19.180 19.436 1.000 5.740 1 121 1
+ATOM O O . GLY A A 16 16 ? -13.628 19.904 20.388 1.000 5.970 1 122 1
+ATOM N N . LEU A A 17 17 ? -12.229 19.430 18.649 1.000 8.860 1 123 1
+ATOM C CA . LEU A A 17 17 ? -11.404 20.640 18.766 1.000 7.330 1 124 1
+ATOM C C . LEU A A 17 17 ? -11.808 21.993 18.180 1.000 8.840 1 125 1
+ATOM O O . LEU A A 17 17 ? -11.257 23.050 18.558 1.000 7.070 1 126 1
+ATOM C CB . LEU A A 17 17 ? -10.022 20.399 18.129 1.000 6.460 1 127 1
+ATOM C CG . LEU A A 17 17 ? -8.921 19.855 19.012 1.000 8.470 1 128 1
+ATOM C CD1 . LEU A A 17 17 ? -7.645 19.743 18.212 1.000 4.230 1 129 1
+ATOM C CD2 . LEU A A 17 17 ? -8.705 20.753 20.205 1.000 4.230 1 130 1
+ATOM N N . ASP A A 18 18 ? -12.769 21.924 17.272 1.000 8.880 1 131 1
+ATOM C CA . ASP A A 18 18 ? -13.365 23.109 16.641 1.000 5.310 1 132 1
+ATOM C C . ASP A A 18 18 ? -14.011 23.782 17.854 1.000 8.680 1 133 1
+ATOM O O . ASP A A 18 18 ? -14.854 23.178 18.553 1.000 5.170 1 134 1
+ATOM C CB . ASP A A 18 18 ? -14.345 22.666 15.532 1.000 5.620 1 135 1
+ATOM C CG . ASP A A 18 18 ? -14.876 23.849 14.764 1.000 3.490 1 136 1
+ATOM O OD1 . ASP A A 18 18 ? -14.236 24.851 14.498 1.000 2.140 1 137 1
+ATOM O OD2 . ASP A A 18 18 ? -15.998 23.736 14.352 1.000 2.140 1 138 1
+ATOM N N . ASN A A 19 19 ? -13.599 25.023 18.067 1.000 2.910 1 139 1
+ATOM C CA . ASN A A 19 19 ? -14.080 25.848 19.183 1.000 5.630 1 140 1
+ATOM C C . ASN A A 19 19 ? -13.907 25.450 20.649 1.000 10.550 1 141 1
+ATOM O O . ASN A A 19 19 ? -14.552 26.022 21.553 1.000 3.450 1 142 1
+ATOM C CB . ASN A A 19 19 ? -15.602 26.068 19.046 1.000 4.150 1 143 1
+ATOM C CG . ASN A A 19 19 ? -15.929 26.923 17.849 1.000 3.820 1 144 1
+ATOM O OD1 . ASN A A 19 19 ? -15.310 28.166 17.816 1.000 2.460 1 145 1
+ATOM N ND2 . ASN A A 19 19 ? -16.720 26.622 16.972 1.000 2.460 1 146 1
+ATOM N N . TYR A A 20 20 ? -13.032 24.476 20.845 1.000 8.020 1 147 1
+ATOM C CA . TYR A A 20 20 ? -12.724 23.927 22.172 1.000 4.630 1 148 1
+ATOM C C . TYR A A 20 20 ? -12.155 25.198 22.804 1.000 10.400 1 149 1
+ATOM O O . TYR A A 20 20 ? -11.274 25.868 22.223 1.000 5.120 1 150 1
+ATOM C CB . TYR A A 20 20 ? -11.765 22.735 22.006 1.000 6.490 1 151 1
+ATOM C CG . TYR A A 20 20 ? -11.572 22.207 23.435 1.000 7.810 1 152 1
+ATOM C CD1 . TYR A A 20 20 ? -12.603 21.432 23.998 1.000 3.620 1 153 1
+ATOM C CD2 . TYR A A 20 20 ? -10.471 22.536 24.179 1.000 5.410 1 154 1
+ATOM C CE1 . TYR A A 20 20 ? -12.436 20.936 25.358 1.000 4.650 1 155 1
+ATOM C CE2 . TYR A A 20 20 ? -10.298 22.057 25.513 1.000 3.820 1 156 1
+ATOM C CZ . TYR A A 20 20 ? -11.337 21.291 26.058 1.000 3.620 1 157 1
+ATOM O OH . TYR A A 20 20 ? -11.189 20.843 27.354 1.000 7.770 1 158 1
+ATOM N N . ARG A A 21 21 ? -12.673 25.493 23.987 1.000 8.370 1 159 1
+ATOM C CA . ARG A A 21 21 ? -12.261 26.661 24.776 1.000 5.840 1 160 1
+ATOM C C . ARG A A 21 21 ? -12.277 28.006 24.048 1.000 6.470 1 161 1
+ATOM O O . ARG A A 21 21 ? -11.682 29.000 24.518 1.000 8.330 1 162 1
+ATOM C CB . ARG A A 21 21 ? -10.823 26.497 25.309 1.000 4.730 1 163 1
+ATOM C CG . ARG A A 21 21 ? -10.717 25.690 26.617 1.000 5.830 1 164 1
+ATOM C CD . ARG A A 21 21 ? -11.771 26.155 27.602 1.000 4.500 1 165 1
+ATOM N NE . ARG A A 21 21 ? -11.453 25.706 28.967 1.000 2.410 1 166 1
+ATOM C CZ . ARG A A 21 21 ? -10.858 26.496 29.888 1.000 4.490 1 167 1
+ATOM N NH1 . ARG A A 21 21 ? -10.400 27.712 29.558 1.000 3.530 1 168 1
+ATOM N NH2 . ARG A A 21 21 ? -10.740 26.055 31.127 1.000 3.530 1 169 1
+ATOM N N . GLY A A 22 22 ? -12.965 28.001 22.918 1.000 8.360 1 170 1
+ATOM C CA . GLY A A 22 22 ? -13.140 29.194 22.079 1.000 6.980 1 171 1
+ATOM C C . GLY A A 22 22 ? -12.179 29.513 20.934 1.000 7.650 1 172 1
+ATOM O O . GLY A A 22 22 ? -12.180 30.635 20.384 1.000 6.830 1 173 1
+ATOM N N . TYR A A 23 23 ? -11.383 28.508 20.602 1.000 5.840 1 174 1
+ATOM C CA . TYR A A 23 23 ? -10.435 28.571 19.482 1.000 8.420 1 175 1
+ATOM C C . TYR A A 23 23 ? -11.080 27.843 18.302 1.000 8.790 1 176 1
+ATOM O O . TYR A A 23 23 ? -11.314 26.616 18.351 1.000 8.210 1 177 1
+ATOM C CB . TYR A A 23 23 ? -9.108 27.933 19.921 1.000 6.570 1 178 1
+ATOM C CG . TYR A A 23 23 ? -8.475 28.799 21.020 1.000 8.040 1 179 1
+ATOM C CD1 . TYR A A 23 23 ? -7.776 29.955 20.628 1.000 5.750 1 180 1
+ATOM C CD2 . TYR A A 23 23 ? -8.515 28.428 22.336 1.000 6.170 1 181 1
+ATOM C CE1 . TYR A A 23 23 ? -7.162 30.779 21.662 1.000 7.270 1 182 1
+ATOM C CE2 . TYR A A 23 23 ? -7.915 29.227 23.357 1.000 7.040 1 183 1
+ATOM C CZ . TYR A A 23 23 ? -7.220 30.373 22.948 1.000 6.190 1 184 1
+ATOM O OH . TYR A A 23 23 ? -6.617 31.138 23.924 1.000 8.330 1 185 1
+ATOM N N . SER A A 24 24 ? -11.345 28.624 17.266 1.000 6.790 1 186 1
+ATOM C CA . SER A A 24 24 ? -11.779 28.107 15.961 1.000 6.760 1 187 1
+ATOM C C . SER A A 24 24 ? -10.834 27.005 15.482 1.000 7.900 1 188 1
+ATOM O O . SER A A 24 24 ? -9.632 26.991 15.825 1.000 4.410 1 189 1
+ATOM C CB . SER A A 24 24 ? -11.808 29.220 14.937 1.000 6.050 1 190 1
+ATOM O OG . SER A A 24 24 ? -10.798 29.060 13.944 1.000 6.360 1 191 1
+ATOM N N . LEU A A 25 25 ? -11.406 26.110 14.692 1.000 9.580 1 192 1
+ATOM C CA . LEU A A 25 25 ? -10.673 24.992 14.084 1.000 5.230 1 193 1
+ATOM C C . LEU A A 25 25 ? -9.360 25.444 13.450 1.000 8.560 1 194 1
+ATOM O O . LEU A A 25 25 ? -8.315 24.771 13.585 1.000 5.580 1 195 1
+ATOM C CB . LEU A A 25 25 ? -11.540 24.319 13.002 1.000 7.090 1 196 1
+ATOM C CG . LEU A A 25 25 ? -11.381 22.827 12.790 1.000 8.080 1 197 1
+ATOM C CD1 . LEU A A 25 25 ? -12.160 22.405 11.567 1.000 5.220 1 198 1
+ATOM C CD2 . LEU A A 25 25 ? -9.924 22.468 12.620 1.000 5.220 1 199 1
+ATOM N N . GLY A A 26 26 ? -9.445 26.582 12.775 1.000 6.380 1 200 1
+ATOM C CA . GLY A A 26 26 ? -8.312 27.181 12.063 1.000 10.460 1 201 1
+ATOM C C . GLY A A 26 26 ? -7.108 27.500 12.950 1.000 4.010 1 202 1
+ATOM O O . GLY A A 26 26 ? -5.941 27.389 12.517 1.000 8.480 1 203 1
+ATOM N N . ASN A A 27 27 ? -7.428 27.884 14.175 1.000 10.780 1 204 1
+ATOM C CA . ASN A A 27 27 ? -6.430 28.273 15.179 1.000 6.390 1 205 1
+ATOM C C . ASN A A 27 27 ? -5.537 27.059 15.431 1.000 7.810 1 206 1
+ATOM O O . ASN A A 27 27 ? -4.313 27.191 15.646 1.000 7.140 1 207 1
+ATOM C CB . ASN A A 27 27 ? -7.147 28.740 16.462 1.000 6.980 1 208 1
+ATOM C CG . ASN A A 27 27 ? -7.357 30.231 16.463 1.000 7.450 1 209 1
+ATOM O OD1 . ASN A A 27 27 ? -6.209 30.997 16.609 1.000 7.950 1 210 1
+ATOM N ND2 . ASN A A 27 27 ? -8.442 30.780 16.404 1.000 7.950 1 211 1
+ATOM N N . TRP A A 28 28 ? -6.177 25.902 15.390 1.000 10.070 1 212 1
+ATOM C CA . TRP A A 28 28 ? -5.505 24.609 15.559 1.000 9.130 1 213 1
+ATOM C C . TRP A A 28 28 ? -4.665 23.983 14.446 1.000 8.180 1 214 1
+ATOM O O . TRP A A 28 28 ? -3.612 23.361 14.704 1.000 8.370 1 215 1
+ATOM C CB . TRP A A 28 28 ? -6.554 23.555 15.908 1.000 7.060 1 216 1
+ATOM C CG . TRP A A 28 28 ? -7.269 23.840 17.280 1.000 6.170 1 217 1
+ATOM C CD1 . TRP A A 28 28 ? -8.523 24.250 17.513 1.000 5.800 1 218 1
+ATOM C CD2 . TRP A A 28 28 ? -6.706 23.650 18.543 1.000 5.290 1 219 1
+ATOM N NE1 . TRP A A 28 28 ? -8.732 24.396 18.940 1.000 8.430 1 220 1
+ATOM C CE2 . TRP A A 28 28 ? -7.674 23.999 19.529 1.000 6.790 1 221 1
+ATOM C CE3 . TRP A A 28 28 ? -5.464 23.219 18.944 1.000 8.140 1 222 1
+ATOM C CZ2 . TRP A A 28 28 ? -7.476 23.935 20.910 1.000 6.380 1 223 1
+ATOM C CZ3 . TRP A A 28 28 ? -5.270 23.172 20.340 1.000 5.520 1 224 1
+ATOM C CH2 . TRP A A 28 28 ? -6.247 23.476 21.275 1.000 3.750 1 225 1
+ATOM N N . VAL A A 29 29 ? -5.154 24.171 13.232 1.000 10.450 1 226 1
+ATOM C CA . VAL A A 29 29 ? -4.492 23.682 12.017 1.000 5.010 1 227 1
+ATOM C C . VAL A A 29 29 ? -3.253 24.561 11.843 1.000 8.460 1 228 1
+ATOM O O . VAL A A 29 29 ? -2.171 24.079 11.444 1.000 9.720 1 229 1
+ATOM C CB . VAL A A 29 29 ? -5.451 23.767 10.838 1.000 6.830 1 230 1
+ATOM C CG1 . VAL A A 29 29 ? -4.805 23.514 9.455 1.000 7.130 1 231 1
+ATOM C CG2 . VAL A A 29 29 ? -6.688 22.937 11.054 1.000 7.130 1 232 1
+ATOM N N . CYS A A 30 30 ? -3.446 25.833 12.153 1.000 8.740 1 233 1
+ATOM C CA . CYS A A 30 30 ? -2.402 26.857 12.026 1.000 5.640 1 234 1
+ATOM C C . CYS A A 30 30 ? -1.220 26.541 12.944 1.000 6.380 1 235 1
+ATOM O O . CYS A A 30 30 ? -0.052 26.500 12.500 1.000 9.030 1 236 1
+ATOM C CB . CYS A A 30 30 ? -2.789 28.170 12.105 1.000 6.760 1 237 1
+ATOM S SG . CYS A A 30 30 ? -1.561 29.508 11.989 1.000 19.880 1 238 1
+ATOM N N . ALA A A 31 31 ? -1.560 26.319 14.203 1.000 8.620 1 239 1
+ATOM C CA . ALA A A 31 31 ? -0.578 26.085 15.269 1.000 5.980 1 240 1
+ATOM C C . ALA A A 31 31 ? 0.250 24.868 14.857 1.000 5.350 1 241 1
+ATOM O O . ALA A A 31 31 ? 1.495 24.865 14.970 1.000 7.600 1 242 1
+ATOM C CB . ALA A A 31 31 ? -1.290 25.699 16.574 1.000 8.350 1 243 1
+ATOM N N . ALA A A 32 32 ? -0.468 23.864 14.383 1.000 11.370 1 244 1
+ATOM C CA . ALA A A 32 32 ? 0.120 22.587 13.962 1.000 6.170 1 245 1
+ATOM C C . ALA A A 32 32 ? 1.052 22.617 12.751 1.000 8.440 1 246 1
+ATOM O O . ALA A A 32 32 ? 2.038 21.851 12.676 1.000 5.840 1 247 1
+ATOM C CB . ALA A A 32 32 ? -1.064 21.690 13.572 1.000 4.220 1 248 1
+ATOM N N . LYS A A 33 33 ? 0.716 23.508 11.834 1.000 10.590 1 249 1
+ATOM C CA . LYS A A 33 33 ? 1.476 23.709 10.595 1.000 6.520 1 250 1
+ATOM C C . LYS A A 33 33 ? 2.877 24.208 10.953 1.000 8.230 1 251 1
+ATOM O O . LYS A A 33 33 ? 3.895 23.565 10.619 1.000 6.230 1 252 1
+ATOM C CB . LYS A A 33 33 ? 0.788 24.719 9.685 1.000 5.000 1 253 1
+ATOM C CG . LYS A A 33 33 ? 1.691 25.351 8.643 1.000 6.880 1 254 1
+ATOM C CD . LYS A A 33 33 ? 2.002 24.369 7.523 1.000 7.880 1 255 1
+ATOM C CE . LYS A A 33 33 ? 2.857 25.009 6.441 1.000 5.130 1 256 1
+ATOM N NZ . LYS A A 33 33 ? 3.367 23.989 5.500 1.000 5.800 1 257 1
+ATOM N N . PHE A A 34 34 ? 2.888 25.345 11.630 1.000 7.380 1 258 1
+ATOM C CA . PHE A A 34 34 ? 4.120 25.982 12.108 1.000 6.800 1 259 1
+ATOM C C . PHE A A 34 34 ? 4.864 25.384 13.303 1.000 1.660 1 260 1
+ATOM O O . PHE A A 34 34 ? 5.969 25.838 13.669 1.000 7.940 1 261 1
+ATOM C CB . PHE A A 34 34 ? 3.823 27.421 12.484 1.000 6.210 1 262 1
+ATOM C CG . PHE A A 34 34 ? 3.522 28.104 11.182 1.000 8.910 1 263 1
+ATOM C CD1 . PHE A A 34 34 ? 2.352 28.770 11.043 1.000 4.640 1 264 1
+ATOM C CD2 . PHE A A 34 34 ? 4.430 28.142 10.155 1.000 5.750 1 265 1
+ATOM C CE1 . PHE A A 34 34 ? 2.015 29.452 9.839 1.000 6.040 1 266 1
+ATOM C CE2 . PHE A A 34 34 ? 4.099 28.870 8.963 1.000 8.970 1 267 1
+ATOM C CZ . PHE A A 34 34 ? 2.905 29.472 8.818 1.000 6.880 1 268 1
+ATOM N N . GLU A A 35 35 ? 4.235 24.371 13.876 1.000 9.160 1 269 1
+ATOM C CA . GLU A A 35 35 ? 4.710 23.725 15.105 1.000 8.150 1 270 1
+ATOM C C . GLU A A 35 35 ? 5.492 22.522 14.577 1.000 6.290 1 271 1
+ATOM O O . GLU A A 35 35 ? 6.672 22.311 14.933 1.000 7.550 1 272 1
+ATOM C CB . GLU A A 35 35 ? 3.529 23.292 16.018 1.000 6.170 1 273 1
+ATOM C CG . GLU A A 35 35 ? 3.781 23.319 17.539 1.000 1.000 1 274 1
+ATOM C CD . GLU A A 35 35 ? 4.672 24.515 18.041 1.000 6.620 1 275 1
+ATOM O OE1 . GLU A A 35 35 ? 5.840 24.269 17.743 1.000 5.480 1 276 1
+ATOM O OE2 . GLU A A 35 35 ? 4.202 25.453 18.611 1.000 5.480 1 277 1
+ATOM N N . SER A A 36 36 ? 4.811 21.766 13.733 1.000 5.510 1 278 1
+ATOM C CA . SER A A 36 36 ? 5.349 20.531 13.150 1.000 5.960 1 279 1
+ATOM C C . SER A A 36 36 ? 5.269 20.152 11.672 1.000 8.940 1 280 1
+ATOM O O . SER A A 36 36 ? 5.683 19.044 11.266 1.000 9.730 1 281 1
+ATOM C CB . SER A A 36 36 ? 4.713 19.323 13.800 1.000 6.400 1 282 1
+ATOM O OG . SER A A 36 36 ? 3.312 19.255 13.548 1.000 7.120 1 283 1
+ATOM N N . ASN A A 37 37 ? 4.739 21.089 10.903 1.000 8.510 1 284 1
+ATOM C CA . ASN A A 37 37 ? 4.540 20.923 9.459 1.000 7.020 1 285 1
+ATOM C C . ASN A A 37 37 ? 3.675 19.698 9.166 1.000 7.370 1 286 1
+ATOM O O . ASN A A 37 37 ? 3.923 18.949 8.200 1.000 7.840 1 287 1
+ATOM C CB . ASN A A 37 37 ? 5.909 20.785 8.761 1.000 5.550 1 288 1
+ATOM C CG . ASN A A 37 37 ? 5.922 21.493 7.434 1.000 8.030 1 289 1
+ATOM O OD1 . ASN A A 37 37 ? 5.145 22.641 7.360 1.000 3.600 1 290 1
+ATOM N ND2 . ASN A A 37 37 ? 6.506 21.098 6.441 1.000 3.600 1 291 1
+ATOM N N . PHE A A 38 38 ? 2.674 19.529 10.015 1.000 6.590 1 292 1
+ATOM C CA . PHE A A 38 38 ? 1.700 18.438 9.899 1.000 5.200 1 293 1
+ATOM C C . PHE A A 38 38 ? 2.308 17.037 9.941 1.000 4.720 1 294 1
+ATOM O O . PHE A A 38 38 ? 1.677 16.048 9.512 1.000 4.430 1 295 1
+ATOM C CB . PHE A A 38 38 ? 0.932 18.594 8.602 1.000 7.030 1 296 1
+ATOM C CG . PHE A A 38 38 ? 0.122 19.847 8.439 1.000 6.770 1 297 1
+ATOM C CD1 . PHE A A 38 38 ? -0.399 20.441 9.533 1.000 6.900 1 298 1
+ATOM C CD2 . PHE A A 38 38 ? -0.039 20.452 7.219 1.000 4.810 1 299 1
+ATOM C CE1 . PHE A A 38 38 ? -1.163 21.641 9.445 1.000 4.370 1 300 1
+ATOM C CE2 . PHE A A 38 38 ? -0.772 21.684 7.147 1.000 6.840 1 301 1
+ATOM C CZ . PHE A A 38 38 ? -1.339 22.228 8.240 1.000 5.940 1 302 1
+ATOM N N . ASN A A 39 39 ? 3.523 16.992 10.465 1.000 9.080 1 303 1
+ATOM C CA . ASN A A 39 39 ? 4.274 15.746 10.644 1.000 9.320 1 304 1
+ATOM C C . ASN A A 39 39 ? 4.246 15.351 12.121 1.000 7.130 1 305 1
+ATOM O O . ASN A A 39 39 ? 4.873 16.009 12.977 1.000 7.230 1 306 1
+ATOM C CB . ASN A A 39 39 ? 5.722 15.938 10.149 1.000 5.830 1 307 1
+ATOM C CG . ASN A A 39 39 ? 6.540 14.689 10.346 1.000 5.380 1 308 1
+ATOM O OD1 . ASN A A 39 39 ? 5.832 13.568 10.757 1.000 6.850 1 309 1
+ATOM N ND2 . ASN A A 39 39 ? 7.750 14.624 10.225 1.000 6.850 1 310 1
+ATOM N N . THR A A 40 40 ? 3.518 14.276 12.379 1.000 7.690 1 311 1
+ATOM C CA . THR A A 40 40 ? 3.383 13.702 13.723 1.000 5.740 1 312 1
+ATOM C C . THR A A 40 40 ? 4.586 13.021 14.379 1.000 9.130 1 313 1
+ATOM O O . THR A A 40 40 ? 4.616 12.812 15.611 1.000 7.660 1 314 1
+ATOM C CB . THR A A 40 40 ? 2.245 12.666 13.661 1.000 8.620 1 315 1
+ATOM O OG1 . THR A A 40 40 ? 2.863 11.502 13.123 1.000 5.620 1 316 1
+ATOM C CG2 . THR A A 40 40 ? 1.107 13.112 12.782 1.000 3.710 1 317 1
+ATOM N N . GLN A A 41 41 ? 5.550 12.696 13.533 1.000 9.100 1 318 1
+ATOM C CA . GLN A A 41 41 ? 6.824 12.104 13.957 1.000 8.280 1 319 1
+ATOM C C . GLN A A 41 41 ? 7.901 13.084 14.424 1.000 9.150 1 320 1
+ATOM O O . GLN A A 41 41 ? 8.999 12.677 14.859 1.000 5.640 1 321 1
+ATOM C CB . GLN A A 41 41 ? 7.372 11.303 12.809 1.000 8.350 1 322 1
+ATOM C CG . GLN A A 41 41 ? 6.650 10.047 12.577 1.000 6.000 1 323 1
+ATOM C CD . GLN A A 41 41 ? 7.506 8.891 12.042 1.000 8.190 1 324 1
+ATOM O OE1 . GLN A A 41 41 ? 7.565 8.718 10.777 1.000 4.040 1 325 1
+ATOM N NE2 . GLN A A 41 41 ? 8.165 8.200 12.872 1.000 4.040 1 326 1
+ATOM N N . ALA A A 42 42 ? 7.552 14.357 14.323 1.000 4.920 1 327 1
+ATOM C CA . ALA A A 42 42 ? 8.427 15.463 14.730 1.000 7.330 1 328 1
+ATOM C C . ALA A A 42 42 ? 8.807 15.523 16.211 1.000 7.560 1 329 1
+ATOM O O . ALA A A 42 42 ? 7.964 15.283 17.103 1.000 10.230 1 330 1
+ATOM C CB . ALA A A 42 42 ? 7.647 16.751 14.435 1.000 7.780 1 331 1
+ATOM N N . THR A A 43 43 ? 10.071 15.848 16.432 1.000 7.520 1 332 1
+ATOM C CA . THR A A 43 43 ? 10.622 16.061 17.776 1.000 6.270 1 333 1
+ATOM C C . THR A A 43 43 ? 11.637 17.199 17.672 1.000 10.160 1 334 1
+ATOM O O . THR A A 43 43 ? 12.218 17.448 16.593 1.000 4.280 1 335 1
+ATOM C CB . THR A A 43 43 ? 11.235 14.726 18.234 1.000 5.700 1 336 1
+ATOM O OG1 . THR A A 43 43 ? 12.261 14.469 17.281 1.000 6.250 1 337 1
+ATOM C CG2 . THR A A 43 43 ? 10.231 13.604 18.241 1.000 4.230 1 338 1
+ATOM N N . ASN A A 44 44 ? 11.827 17.859 18.804 1.000 6.220 1 339 1
+ATOM C CA . ASN A A 44 44 ? 12.810 18.940 18.949 1.000 7.480 1 340 1
+ATOM C C . ASN A A 44 44 ? 13.223 19.117 20.411 1.000 7.410 1 341 1
+ATOM O O . ASN A A 44 44 ? 12.369 19.302 21.304 1.000 5.520 1 342 1
+ATOM C CB . ASN A A 44 44 ? 12.215 20.256 18.406 1.000 5.160 1 343 1
+ATOM C CG . ASN A A 44 44 ? 12.029 20.200 16.912 1.000 4.500 1 344 1
+ATOM O OD1 . ASN A A 44 44 ? 13.198 20.204 16.162 1.000 4.850 1 345 1
+ATOM N ND2 . ASN A A 44 44 ? 10.952 20.211 16.342 1.000 4.850 1 346 1
+ATOM N N . ARG A A 45 45 ? 14.530 19.060 20.613 1.000 7.580 1 347 1
+ATOM C CA . ARG A A 45 45 ? 15.147 19.257 21.932 1.000 5.730 1 348 1
+ATOM C C . ARG A A 45 45 ? 15.358 20.739 22.243 1.000 10.120 1 349 1
+ATOM O O . ARG A A 45 45 ? 15.783 21.528 21.371 1.000 3.870 1 350 1
+ATOM C CB . ARG A A 45 45 ? 16.517 18.554 22.017 1.000 5.390 1 351 1
+ATOM C CG . ARG A A 45 45 ? 17.046 18.361 23.450 1.000 6.290 1 352 1
+ATOM C CD . ARG A A 45 45 ? 17.656 16.982 23.599 1.000 4.430 1 353 1
+ATOM N NE . ARG A A 45 45 ? 17.321 16.392 24.904 1.000 2.120 1 354 1
+ATOM C CZ . ARG A A 45 45 ? 17.978 15.339 25.431 1.000 2.480 1 355 1
+ATOM N NH1 . ARG A A 45 45 ? 18.859 14.697 24.686 1.000 6.840 1 356 1
+ATOM N NH2 . ARG A A 45 45 ? 17.739 14.939 26.688 1.000 6.840 1 357 1
+ATOM N N . ASN A A 46 46 ? 15.059 21.078 23.488 1.000 5.270 1 358 1
+ATOM C CA . ASN A A 46 46 ? 15.139 22.458 23.991 1.000 8.370 1 359 1
+ATOM C C . ASN A A 46 46 ? 16.438 22.403 24.798 1.000 2.500 1 360 1
+ATOM O O . ASN A A 46 46 ? 16.930 21.310 25.152 1.000 4.060 1 361 1
+ATOM C CB . ASN A A 46 46 ? 13.872 22.785 24.804 1.000 2.720 1 362 1
+ATOM C CG . ASN A A 46 46 ? 12.622 22.563 23.993 1.000 6.180 1 363 1
+ATOM O OD1 . ASN A A 46 46 ? 11.811 21.517 24.416 1.000 2.770 1 364 1
+ATOM N ND2 . ASN A A 46 46 ? 12.323 23.186 22.990 1.000 2.770 1 365 1
+ATOM N N . THR A A 47 47 ? 16.955 23.591 25.071 1.000 3.530 1 366 1
+ATOM C CA . THR A A 47 47 ? 18.089 23.781 25.985 1.000 3.350 1 367 1
+ATOM C C . THR A A 47 47 ? 18.033 23.179 27.389 1.000 3.340 1 368 1
+ATOM O O . THR A A 47 47 ? 19.054 22.698 27.926 1.000 4.530 1 369 1
+ATOM C CB . THR A A 47 47 ? 18.295 25.300 26.142 1.000 5.410 1 370 1
+ATOM O OG1 . THR A A 47 47 ? 16.973 25.822 26.222 1.000 5.890 1 371 1
+ATOM C CG2 . THR A A 47 47 ? 19.031 25.906 24.978 1.000 4.550 1 372 1
+ATOM N N . ASP A A 48 48 ? 16.833 23.217 27.945 1.000 5.520 1 373 1
+ATOM C CA . ASP A A 48 48 ? 16.589 22.875 29.352 1.000 3.730 1 374 1
+ATOM C C . ASP A A 48 48 ? 16.526 21.351 29.452 1.000 8.350 1 375 1
+ATOM O O . ASP A A 48 48 ? 16.390 20.782 30.557 1.000 7.780 1 376 1
+ATOM C CB . ASP A A 48 48 ? 15.276 23.535 29.824 1.000 4.730 1 377 1
+ATOM C CG . ASP A A 48 48 ? 14.071 22.773 29.335 1.000 10.390 1 378 1
+ATOM O OD1 . ASP A A 48 48 ? 14.147 22.307 28.029 1.000 5.660 1 379 1
+ATOM O OD2 . ASP A A 48 48 ? 13.049 22.600 29.976 1.000 5.660 1 380 1
+ATOM N N . GLY A A 49 49 ? 16.632 20.730 28.289 1.000 8.090 1 381 1
+ATOM C CA . GLY A A 49 49 ? 16.855 19.284 28.170 1.000 5.020 1 382 1
+ATOM C C . GLY A A 49 49 ? 15.577 18.485 27.913 1.000 5.630 1 383 1
+ATOM O O . GLY A A 49 49 ? 15.623 17.270 27.623 1.000 8.900 1 384 1
+ATOM N N . SER A A 50 50 ? 14.466 19.197 28.022 1.000 6.910 1 385 1
+ATOM C CA . SER A A 50 50 ? 13.145 18.685 27.636 1.000 6.540 1 386 1
+ATOM C C . SER A A 50 50 ? 13.154 18.555 26.113 1.000 8.200 1 387 1
+ATOM O O . SER A A 50 50 ? 14.056 19.080 25.425 1.000 9.560 1 388 1
+ATOM C CB . SER A A 50 50 ? 12.058 19.630 28.098 1.000 7.280 1 389 1
+ATOM O OG . SER A A 50 50 ? 11.849 20.696 27.176 1.000 9.040 1 390 1
+ATOM N N . THR A A 51 51 ? 12.140 17.859 25.625 1.000 5.830 1 391 1
+ATOM C CA . THR A A 51 51 ? 11.971 17.581 24.194 1.000 9.370 1 392 1
+ATOM C C . THR A A 51 51 ? 10.488 17.811 23.903 1.000 5.220 1 393 1
+ATOM O O . THR A A 51 51 ? 9.621 17.618 24.782 1.000 10.110 1 394 1
+ATOM C CB . THR A A 51 51 ? 12.454 16.138 23.951 1.000 5.870 1 395 1
+ATOM O OG1 . THR A A 51 51 ? 13.870 16.220 24.073 1.000 5.900 1 396 1
+ATOM C CG2 . THR A A 51 51 ? 12.071 15.626 22.589 1.000 3.970 1 397 1
+ATOM N N . ASP A A 52 52 ? 10.237 18.215 22.668 1.000 5.630 1 398 1
+ATOM C CA . ASP A A 52 52 ? 8.885 18.518 22.183 1.000 6.940 1 399 1
+ATOM C C . ASP A A 52 52 ? 8.480 17.351 21.281 1.000 9.140 1 400 1
+ATOM O O . ASP A A 52 52 ? 9.300 16.825 20.499 1.000 9.640 1 401 1
+ATOM C CB . ASP A A 52 52 ? 8.895 19.867 21.433 1.000 6.000 1 402 1
+ATOM C CG . ASP A A 52 52 ? 8.864 21.028 22.391 1.000 7.920 1 403 1
+ATOM O OD1 . ASP A A 52 52 ? 8.977 20.936 23.601 1.000 5.300 1 404 1
+ATOM O OD2 . ASP A A 52 52 ? 8.778 22.114 21.885 1.000 5.300 1 405 1
+ATOM N N . TYR A A 53 53 ? 7.216 16.983 21.413 1.000 7.530 1 406 1
+ATOM C CA . TYR A A 53 53 ? 6.636 15.841 20.700 1.000 6.010 1 407 1
+ATOM C C . TYR A A 53 53 ? 5.255 15.835 20.044 1.000 7.840 1 408 1
+ATOM O O . TYR A A 53 53 ? 4.249 16.258 20.653 1.000 7.570 1 409 1
+ATOM C CB . TYR A A 53 53 ? 6.580 14.636 21.655 1.000 5.060 1 410 1
+ATOM C CG . TYR A A 53 53 ? 7.876 14.229 22.371 1.000 9.860 1 411 1
+ATOM C CD1 . TYR A A 53 53 ? 8.556 13.089 21.907 1.000 7.810 1 412 1
+ATOM C CD2 . TYR A A 53 53 ? 8.325 14.899 23.477 1.000 7.890 1 413 1
+ATOM C CE1 . TYR A A 53 53 ? 9.781 12.687 22.586 1.000 7.560 1 414 1
+ATOM C CE2 . TYR A A 53 53 ? 9.523 14.512 24.151 1.000 5.960 1 415 1
+ATOM C CZ . TYR A A 53 53 ? 10.185 13.372 23.677 1.000 8.810 1 416 1
+ATOM O OH . TYR A A 53 53 ? 11.330 12.977 24.335 1.000 8.660 1 417 1
+ATOM N N . GLY A A 54 54 ? 5.243 15.343 18.816 1.000 8.840 1 418 1
+ATOM C CA . GLY A A 54 54 ? 4.046 15.335 17.966 1.000 6.300 1 419 1
+ATOM C C . GLY A A 54 54 ? 3.699 16.443 16.974 1.000 7.270 1 420 1
+ATOM O O . GLY A A 54 54 ? 4.511 17.358 16.721 1.000 6.690 1 421 1
+ATOM N N . ILE A A 55 55 ? 2.493 16.333 16.441 1.000 6.430 1 422 1
+ATOM C CA . ILE A A 55 55 ? 1.911 17.349 15.555 1.000 4.030 1 423 1
+ATOM C C . ILE A A 55 55 ? 1.722 18.713 16.221 1.000 8.540 1 424 1
+ATOM O O . ILE A A 55 55 ? 1.801 19.770 15.558 1.000 10.000 1 425 1
+ATOM C CB . ILE A A 55 55 ? 0.510 16.931 15.043 1.000 8.310 1 426 1
+ATOM C CG1 . ILE A A 55 55 ? 0.118 17.636 13.716 1.000 5.010 1 427 1
+ATOM C CG2 . ILE A A 55 55 ? -0.370 17.234 16.259 1.000 4.290 1 428 1
+ATOM C CD1 . ILE A A 55 55 ? 0.371 16.778 12.455 1.000 7.300 1 429 1
+ATOM N N . LEU A A 56 56 ? 1.481 18.652 17.521 1.000 8.460 1 430 1
+ATOM C CA . LEU A A 56 56 ? 1.284 19.842 18.359 1.000 5.810 1 431 1
+ATOM C C . LEU A A 56 56 ? 2.435 20.174 19.310 1.000 7.440 1 432 1
+ATOM O O . LEU A A 56 56 ? 2.329 21.087 20.156 1.000 9.200 1 433 1
+ATOM C CB . LEU A A 56 56 ? 0.019 19.675 19.223 1.000 5.960 1 434 1
+ATOM C CG . LEU A A 56 56 ? -1.177 20.548 18.907 1.000 7.670 1 435 1
+ATOM C CD1 . LEU A A 56 56 ? -0.984 21.197 17.557 1.000 6.690 1 436 1
+ATOM C CD2 . LEU A A 56 56 ? -2.447 19.731 18.907 1.000 6.690 1 437 1
+ATOM N N . GLN A A 57 57 ? 3.511 19.421 19.139 1.000 7.930 1 438 1
+ATOM C CA . GLN A A 57 57 ? 4.742 19.591 19.921 1.000 5.510 1 439 1
+ATOM C C . GLN A A 57 57 ? 4.622 19.805 21.431 1.000 7.630 1 440 1
+ATOM O O . GLN A A 57 57 ? 5.078 20.834 21.974 1.000 10.990 1 441 1
+ATOM C CB . GLN A A 57 57 ? 5.494 20.766 19.362 1.000 2.730 1 442 1
+ATOM C CG . GLN A A 57 57 ? 6.092 20.502 18.047 1.000 6.640 1 443 1
+ATOM C CD . GLN A A 57 57 ? 7.256 19.501 18.049 1.000 9.130 1 444 1
+ATOM O OE1 . GLN A A 57 57 ? 8.421 19.929 18.351 1.000 8.270 1 445 1
+ATOM N NE2 . GLN A A 57 57 ? 6.999 18.283 17.812 1.000 8.270 1 446 1
+ATOM N N . ILE A A 58 58 ? 4.010 18.821 22.069 1.000 6.690 1 447 1
+ATOM C CA . ILE A A 58 58 ? 3.805 18.812 23.524 1.000 6.330 1 448 1
+ATOM C C . ILE A A 58 58 ? 5.124 18.505 24.233 1.000 5.540 1 449 1
+ATOM O O . ILE A A 58 58 ? 5.874 17.588 23.832 1.000 8.520 1 450 1
+ATOM C CB . ILE A A 58 58 ? 2.770 17.741 23.951 1.000 8.390 1 451 1
+ATOM C CG1 . ILE A A 58 58 ? 1.357 17.995 23.356 1.000 6.570 1 452 1
+ATOM C CG2 . ILE A A 58 58 ? 2.882 17.790 25.476 1.000 2.150 1 453 1
+ATOM C CD1 . ILE A A 58 58 ? 0.672 16.722 22.809 1.000 4.260 1 454 1
+ATOM N N . ASN A A 59 59 ? 5.370 19.282 25.278 1.000 8.240 1 455 1
+ATOM C CA . ASN A A 59 59 ? 6.598 19.187 26.079 1.000 6.510 1 456 1
+ATOM C C . ASN A A 59 59 ? 6.657 18.098 27.150 1.000 6.390 1 457 1
+ATOM O O . ASN A A 59 59 ? 5.646 17.797 27.821 1.000 1.570 1 458 1
+ATOM C CB . ASN A A 59 59 ? 6.850 20.529 26.799 1.000 5.350 1 459 1
+ATOM C CG . ASN A A 59 59 ? 8.304 20.695 27.156 1.000 7.040 1 460 1
+ATOM O OD1 . ASN A A 59 59 ? 8.624 20.463 28.488 1.000 3.380 1 461 1
+ATOM N ND2 . ASN A A 59 59 ? 9.173 21.064 26.386 1.000 3.380 1 462 1
+ATOM N N . SER A A 60 60 ? 7.849 17.536 27.285 1.000 7.460 1 463 1
+ATOM C CA . SER A A 60 60 ? 8.135 16.486 28.270 1.000 6.180 1 464 1
+ATOM C C . SER A A 60 60 ? 8.459 16.829 29.725 1.000 7.980 1 465 1
+ATOM O O . SER A A 60 60 ? 8.570 15.936 30.589 1.000 4.070 1 466 1
+ATOM C CB . SER A A 60 60 ? 9.328 15.666 27.832 1.000 7.230 1 467 1
+ATOM O OG . SER A A 60 60 ? 10.549 16.386 27.956 1.000 6.410 1 468 1
+ATOM N N . ARG A A 61 61 ? 8.597 18.126 29.957 1.000 4.650 1 469 1
+ATOM C CA . ARG A A 61 61 ? 8.935 18.674 31.277 1.000 5.480 1 470 1
+ATOM C C . ARG A A 61 61 ? 7.669 18.679 32.136 1.000 4.460 1 471 1
+ATOM O O . ARG A A 61 61 ? 7.734 18.586 33.380 1.000 3.840 1 472 1
+ATOM C CB . ARG A A 61 61 ? 9.490 20.107 31.162 1.000 5.800 1 473 1
+ATOM C CG . ARG A A 61 61 ? 9.442 20.917 32.471 1.000 7.330 1 474 1
+ATOM C CD . ARG A A 61 61 ? 10.786 21.568 32.730 1.000 2.020 1 475 1
+ATOM N NE . ARG A A 61 61 ? 11.028 21.726 34.173 1.000 3.430 1 476 1
+ATOM C CZ . ARG A A 61 61 ? 12.197 22.170 34.684 1.000 2.800 1 477 1
+ATOM N NH1 . ARG A A 61 61 ? 13.261 22.214 33.902 1.000 4.980 1 478 1
+ATOM N NH2 . ARG A A 61 61 ? 12.286 22.554 35.966 1.000 4.980 1 479 1
+ATOM N N . TRP A A 62 62 ? 6.547 18.783 31.442 1.000 5.290 1 480 1
+ATOM C CA . TRP A A 62 62 ? 5.215 18.747 32.059 1.000 6.390 1 481 1
+ATOM C C . TRP A A 62 62 ? 4.042 17.836 31.698 1.000 4.440 1 482 1
+ATOM O O . TRP A A 62 62 ? 3.345 17.298 32.585 1.000 6.040 1 483 1
+ATOM C CB . TRP A A 62 62 ? 4.583 20.134 31.943 1.000 6.090 1 484 1
+ATOM C CG . TRP A A 62 62 ? 5.548 21.368 32.081 1.000 4.170 1 485 1
+ATOM C CD1 . TRP A A 62 62 ? 6.265 21.993 31.136 1.000 2.780 1 486 1
+ATOM C CD2 . TRP A A 62 62 ? 5.785 22.088 33.256 1.000 6.500 1 487 1
+ATOM N NE1 . TRP A A 62 62 ? 7.026 23.073 31.736 1.000 4.730 1 488 1
+ATOM C CE2 . TRP A A 62 62 ? 6.699 23.142 32.967 1.000 3.830 1 489 1
+ATOM C CE3 . TRP A A 62 62 ? 5.313 21.940 34.540 1.000 1.930 1 490 1
+ATOM C CZ2 . TRP A A 62 62 ? 7.172 24.076 33.893 1.000 0.590 1 491 1
+ATOM C CZ3 . TRP A A 62 62 ? 5.807 22.879 35.470 1.000 5.820 1 492 1
+ATOM C CH2 . TRP A A 62 62 ? 6.664 23.922 35.148 1.000 2.800 1 493 1
+ATOM N N . TRP A A 63 63 ? 3.858 17.685 30.396 1.000 5.790 1 494 1
+ATOM C CA . TRP A A 63 63 ? 2.811 16.826 29.828 1.000 4.130 1 495 1
+ATOM C C . TRP A A 63 63 ? 2.897 15.321 29.588 1.000 7.490 1 496 1
+ATOM O O . TRP A A 63 63 ? 1.878 14.599 29.652 1.000 5.750 1 497 1
+ATOM C CB . TRP A A 63 63 ? 2.437 17.358 28.444 1.000 2.760 1 498 1
+ATOM C CG . TRP A A 63 63 ? 2.327 18.899 28.741 1.000 7.710 1 499 1
+ATOM C CD1 . TRP A A 63 63 ? 3.075 19.908 28.273 1.000 6.230 1 500 1
+ATOM C CD2 . TRP A A 63 63 ? 1.350 19.506 29.537 1.000 6.860 1 501 1
+ATOM N NE1 . TRP A A 63 63 ? 2.614 21.162 28.840 1.000 5.130 1 502 1
+ATOM C CE2 . TRP A A 63 63 ? 1.578 20.913 29.541 1.000 7.940 1 503 1
+ATOM C CE3 . TRP A A 63 63 ? 0.296 18.994 30.258 1.000 5.330 1 504 1
+ATOM C CZ2 . TRP A A 63 63 ? 0.802 21.854 30.226 1.000 6.150 1 505 1
+ATOM C CZ3 . TRP A A 63 63 ? -0.472 19.949 30.956 1.000 4.580 1 506 1
+ATOM C CH2 . TRP A A 63 63 ? -0.251 21.318 30.905 1.000 5.000 1 507 1
+ATOM N N . CYS A A 64 64 ? 4.119 14.885 29.323 1.000 6.230 1 508 1
+ATOM C CA . CYS A A 64 64 ? 4.418 13.486 28.994 1.000 5.070 1 509 1
+ATOM C C . CYS A A 64 64 ? 5.827 13.025 29.375 1.000 3.870 1 510 1
+ATOM O O . CYS A A 64 64 ? 6.794 13.816 29.342 1.000 3.900 1 511 1
+ATOM C CB . CYS A A 64 64 ? 4.294 13.175 27.342 1.000 5.740 1 512 1
+ATOM S SG . CYS A A 64 64 ? 5.622 13.979 26.390 1.000 16.820 1 513 1
+ATOM N N . ASN A A 65 65 ? 5.903 11.750 29.722 1.000 7.320 1 514 1
+ATOM C CA . ASN A A 65 65 ? 7.171 11.074 30.027 1.000 6.520 1 515 1
+ATOM C C . ASN A A 65 65 ? 7.861 10.440 28.817 1.000 3.900 1 516 1
+ATOM O O . ASN A A 65 65 ? 7.263 9.613 28.095 1.000 9.860 1 517 1
+ATOM C CB . ASN A A 65 65 ? 6.930 9.969 31.078 1.000 2.800 1 518 1
+ATOM C CG . ASN A A 65 65 ? 8.230 9.393 31.577 1.000 4.520 1 519 1
+ATOM O OD1 . ASN A A 65 65 ? 9.190 10.051 31.935 1.000 4.940 1 520 1
+ATOM N ND2 . ASN A A 65 65 ? 8.264 8.196 31.668 1.000 4.940 1 521 1
+ATOM N N . ASP A A 66 66 ? 9.109 10.845 28.633 1.000 3.360 1 522 1
+ATOM C CA . ASP A A 66 66 ? 10.020 10.221 27.666 1.000 5.570 1 523 1
+ATOM C C . ASP A A 66 66 ? 11.235 9.653 28.403 1.000 7.410 1 524 1
+ATOM O O . ASP A A 66 66 ? 12.226 9.222 27.775 1.000 7.130 1 525 1
+ATOM C CB . ASP A A 66 66 ? 10.454 11.267 26.615 1.000 5.860 1 526 1
+ATOM C CG . ASP A A 66 66 ? 11.270 12.368 27.240 1.000 7.870 1 527 1
+ATOM O OD1 . ASP A A 66 66 ? 11.334 12.350 28.628 1.000 8.770 1 528 1
+ATOM O OD2 . ASP A A 66 66 ? 11.807 13.272 26.625 1.000 8.770 1 529 1
+ATOM N N . GLY A A 67 67 ? 11.120 9.664 29.722 1.000 5.920 1 530 1
+ATOM C CA . GLY A A 67 67 ? 12.121 9.074 30.620 1.000 6.190 1 531 1
+ATOM C C . GLY A A 67 67 ? 13.574 9.550 30.676 1.000 6.380 1 532 1
+ATOM O O . GLY A A 67 67 ? 14.460 8.855 31.218 1.000 6.500 1 533 1
+ATOM N N . ARG A A 68 68 ? 13.778 10.731 30.114 1.000 4.000 1 534 1
+ATOM C CA . ARG A A 68 68 ? 15.050 11.459 30.212 1.000 6.960 1 535 1
+ATOM C C . ARG A A 68 68 ? 14.960 12.972 30.420 1.000 8.210 1 536 1
+ATOM O O . ARG A A 68 68 ? 15.933 13.716 30.169 1.000 7.110 1 537 1
+ATOM C CB . ARG A A 68 68 ? 15.898 11.276 28.936 1.000 7.030 1 538 1
+ATOM C CG . ARG A A 68 68 ? 15.316 11.957 27.682 1.000 5.430 1 539 1
+ATOM C CD . ARG A A 68 68 ? 16.417 12.212 26.671 1.000 6.180 1 540 1
+ATOM N NE . ARG A A 68 68 ? 15.861 12.668 25.386 1.000 8.140 1 541 1
+ATOM C CZ . ARG A A 68 68 ? 16.611 13.225 24.409 1.000 4.500 1 542 1
+ATOM N NH1 . ARG A A 68 68 ? 17.949 13.225 24.485 1.000 6.050 1 543 1
+ATOM N NH2 . ARG A A 68 68 ? 16.004 13.766 23.367 1.000 6.050 1 544 1
+ATOM N N . THR A A 69 69 ? 13.789 13.386 30.881 1.000 5.550 1 545 1
+ATOM C CA . THR A A 69 69 ? 13.568 14.735 31.414 1.000 3.360 1 546 1
+ATOM C C . THR A A 69 69 ? 13.175 14.685 32.890 1.000 5.300 1 547 1
+ATOM O O . THR A A 69 69 ? 12.008 14.402 33.238 1.000 6.250 1 548 1
+ATOM C CB . THR A A 69 69 ? 12.474 15.390 30.549 1.000 5.910 1 549 1
+ATOM O OG1 . THR A A 69 69 ? 12.802 15.001 29.219 1.000 7.370 1 550 1
+ATOM C CG2 . THR A A 69 69 ? 12.465 16.885 30.672 1.000 5.600 1 551 1
+ATOM N N . PRO A A 70 70 ? 14.165 14.968 33.722 1.000 9.200 1 552 1
+ATOM C CA . PRO A A 70 70 ? 14.000 15.011 35.179 1.000 1.750 1 553 1
+ATOM C C . PRO A A 70 70 ? 13.077 15.708 36.179 1.000 4.960 1 554 1
+ATOM O O . PRO A A 70 70 ? 12.640 15.106 37.183 1.000 4.820 1 555 1
+ATOM C CB . PRO A A 70 70 ? 15.371 15.319 35.687 1.000 4.100 1 556 1
+ATOM C CG . PRO A A 70 70 ? 16.308 15.083 34.519 1.000 2.810 1 557 1
+ATOM C CD . PRO A A 70 70 ? 15.472 15.433 33.293 1.000 7.660 1 558 1
+ATOM N N . GLY A A 71 71 ? 12.800 16.960 35.870 1.000 2.270 1 559 1
+ATOM C CA . GLY A A 71 71 ? 11.889 17.797 36.660 1.000 3.740 1 560 1
+ATOM C C . GLY A A 71 71 ? 10.548 17.095 36.451 1.000 8.150 1 561 1
+ATOM O O . GLY A A 71 71 ? 9.658 17.126 37.328 1.000 3.650 1 562 1
+ATOM N N . SER A A 72 72 ? 10.443 16.472 35.290 1.000 4.040 1 563 1
+ATOM C CA . SER A A 72 72 ? 9.195 15.862 34.820 1.000 3.010 1 564 1
+ATOM C C . SER A A 72 72 ? 7.912 15.477 35.556 1.000 6.250 1 565 1
+ATOM O O . SER A A 72 72 ? 7.890 14.518 36.357 1.000 6.370 1 566 1
+ATOM C CB . SER A A 72 72 ? 9.473 14.512 34.199 1.000 4.230 1 567 1
+ATOM O OG . SER A A 72 72 ? 9.506 14.574 32.777 1.000 3.610 1 568 1
+ATOM N N . ARG A A 73 73 ? 6.871 16.234 35.258 1.000 7.960 1 569 1
+ATOM C CA . ARG A A 73 73 ? 5.530 16.009 35.808 1.000 4.660 1 570 1
+ATOM C C . ARG A A 73 73 ? 5.083 15.426 34.469 1.000 5.780 1 571 1
+ATOM O O . ARG A A 73 73 ? 5.563 15.838 33.391 1.000 2.980 1 572 1
+ATOM C CB . ARG A A 73 73 ? 4.895 17.327 36.289 1.000 4.040 1 573 1
+ATOM C CG . ARG A A 73 73 ? 4.908 17.520 37.816 1.000 2.260 1 574 1
+ATOM C CD . ARG A A 73 73 ? 5.304 18.941 38.158 1.000 1.150 1 575 1
+ATOM N NE . ARG A A 73 73 ? 6.050 18.993 39.425 1.000 1.650 1 576 1
+ATOM C CZ . ARG A A 73 73 ? 7.186 19.704 39.588 1.000 3.540 1 577 1
+ATOM N NH1 . ARG A A 73 73 ? 7.776 20.306 38.546 1.000 1.250 1 578 1
+ATOM N NH2 . ARG A A 73 73 ? 7.710 19.805 40.795 1.000 1.250 1 579 1
+ATOM N N . ASN A A 74 74 ? 4.165 14.479 34.575 1.000 3.260 1 580 1
+ATOM C CA . ASN A A 74 74 ? 3.595 13.783 33.416 1.000 3.300 1 581 1
+ATOM C C . ASN A A 74 74 ? 2.086 13.965 33.577 1.000 7.290 1 582 1
+ATOM O O . ASN A A 74 74 ? 1.339 12.990 33.806 1.000 5.810 1 583 1
+ATOM C CB . ASN A A 74 74 ? 4.044 12.307 33.428 1.000 3.840 1 584 1
+ATOM C CG . ASN A A 74 74 ? 3.302 11.497 32.398 1.000 4.290 1 585 1
+ATOM O OD1 . ASN A A 74 74 ? 3.099 10.299 32.467 1.000 5.460 1 586 1
+ATOM N ND2 . ASN A A 74 74 ? 2.768 12.220 31.338 1.000 5.460 1 587 1
+ATOM N N . LEU A A 75 75 ? 1.679 15.217 33.447 1.000 6.810 1 588 1
+ATOM C CA . LEU A A 75 75 ? 0.284 15.630 33.645 1.000 5.400 1 589 1
+ATOM C C . LEU A A 75 75 ? -0.742 15.016 32.694 1.000 5.960 1 590 1
+ATOM O O . LEU A A 75 75 ? -1.950 14.938 33.010 1.000 7.050 1 591 1
+ATOM C CB . LEU A A 75 75 ? 0.161 17.155 33.497 1.000 4.990 1 592 1
+ATOM C CG . LEU A A 75 75 ? 0.412 18.008 34.722 1.000 4.930 1 593 1
+ATOM C CD1 . LEU A A 75 75 ? -0.389 17.470 35.883 1.000 2.720 1 594 1
+ATOM C CD2 . LEU A A 75 75 ? 1.880 18.016 35.068 1.000 2.720 1 595 1
+ATOM N N . CYS A A 76 76 ? -0.231 14.589 31.551 1.000 5.890 1 596 1
+ATOM C CA . CYS A A 76 76 ? -1.035 13.954 30.501 1.000 6.310 1 597 1
+ATOM C C . CYS A A 76 76 ? -1.177 12.452 30.746 1.000 10.240 1 598 1
+ATOM O O . CYS A A 76 76 ? -2.044 11.780 30.146 1.000 5.940 1 599 1
+ATOM C CB . CYS A A 76 76 ? -1.300 14.441 29.129 1.000 6.640 1 600 1
+ATOM S SG . CYS A A 76 76 ? -1.502 16.173 28.624 1.000 16.020 1 601 1
+ATOM N N . ASN A A 77 77 ? -0.320 11.967 31.631 1.000 5.790 1 602 1
+ATOM C CA . ASN A A 77 77 ? -0.117 10.529 31.844 1.000 7.200 1 603 1
+ATOM C C . ASN A A 77 77 ? -0.018 9.734 30.542 1.000 5.540 1 604 1
+ATOM O O . ASN A A 77 77 ? -0.803 8.791 30.300 1.000 8.350 1 605 1
+ATOM C CB . ASN A A 77 77 ? -1.279 9.963 32.688 1.000 6.440 1 606 1
+ATOM C CG . ASN A A 77 77 ? -0.801 9.493 34.036 1.000 4.410 1 607 1
+ATOM O OD1 . ASN A A 77 77 ? -0.102 8.293 34.038 1.000 3.410 1 608 1
+ATOM N ND2 . ASN A A 77 77 ? -1.033 10.053 35.091 1.000 3.410 1 609 1
+ATOM N N . ILE A A 78 78 ? 0.953 10.135 29.739 1.000 5.450 1 610 1
+ATOM C CA . ILE A A 78 78 ? 1.253 9.486 28.457 1.000 4.680 1 611 1
+ATOM C C . ILE A A 78 78 ? 2.780 9.491 28.374 1.000 6.970 1 612 1
+ATOM O O . ILE A A 78 78 ? 3.451 10.415 28.882 1.000 6.380 1 613 1
+ATOM C CB . ILE A A 78 78 ? 0.631 10.254 27.265 1.000 8.060 1 614 1
+ATOM C CG1 . ILE A A 78 78 ? 0.124 9.312 26.139 1.000 4.790 1 615 1
+ATOM C CG2 . ILE A A 78 78 ? 1.762 11.213 26.889 1.000 4.090 1 616 1
+ATOM C CD1 . ILE A A 78 78 ? -0.732 8.132 26.652 1.000 4.110 1 617 1
+ATOM N N . PRO A A 79 79 ? 3.288 8.456 27.727 1.000 7.990 1 618 1
+ATOM C CA . PRO A A 79 79 ? 4.713 8.330 27.412 1.000 3.810 1 619 1
+ATOM C C . PRO A A 79 79 ? 4.640 9.231 26.179 1.000 9.610 1 620 1
+ATOM O O . PRO A A 79 79 ? 3.689 9.144 25.372 1.000 5.110 1 621 1
+ATOM C CB . PRO A A 79 79 ? 4.921 6.854 27.259 1.000 5.660 1 622 1
+ATOM C CG . PRO A A 79 79 ? 3.592 6.123 27.239 1.000 3.520 1 623 1
+ATOM C CD . PRO A A 79 79 ? 2.569 7.202 27.578 1.000 5.000 1 624 1
+ATOM N N . CYS A A 80 80 ? 5.656 10.072 26.066 1.000 7.250 1 625 1
+ATOM C CA . CYS A A 80 80 ? 5.808 10.997 24.936 1.000 7.220 1 626 1
+ATOM C C . CYS A A 80 80 ? 5.689 10.383 23.542 1.000 9.390 1 627 1
+ATOM O O . CYS A A 80 80 ? 5.102 10.988 22.618 1.000 7.330 1 628 1
+ATOM C CB . CYS A A 80 80 ? 7.115 11.720 25.134 1.000 8.900 1 629 1
+ATOM S SG . CYS A A 80 80 ? 7.226 12.794 26.597 1.000 15.690 1 630 1
+ATOM N N . SER A A 81 81 ? 6.248 9.189 23.429 1.000 9.690 1 631 1
+ATOM C CA . SER A A 81 81 ? 6.261 8.425 22.176 1.000 7.600 1 632 1
+ATOM C C . SER A A 81 81 ? 4.863 8.258 21.581 1.000 6.670 1 633 1
+ATOM O O . SER A A 81 81 ? 4.681 8.280 20.344 1.000 9.200 1 634 1
+ATOM C CB . SER A A 81 81 ? 6.845 7.049 22.404 1.000 7.700 1 635 1
+ATOM O OG . SER A A 81 81 ? 6.167 6.345 23.439 1.000 6.770 1 636 1
+ATOM N N . ALA A A 82 82 ? 3.908 8.100 22.483 1.000 4.970 1 637 1
+ATOM C CA . ALA A A 82 82 ? 2.489 7.969 22.134 1.000 8.230 1 638 1
+ATOM C C . ALA A A 82 82 ? 1.956 9.124 21.287 1.000 7.810 1 639 1
+ATOM O O . ALA A A 82 82 ? 0.979 8.967 20.523 1.000 4.560 1 640 1
+ATOM C CB . ALA A A 82 82 ? 1.689 7.993 23.446 1.000 6.380 1 641 1
+ATOM N N . LEU A A 83 83 ? 2.621 10.258 21.443 1.000 9.730 1 642 1
+ATOM C CA . LEU A A 83 83 ? 2.138 11.547 20.933 1.000 8.380 1 643 1
+ATOM C C . LEU A A 83 83 ? 2.577 11.634 19.471 1.000 8.140 1 644 1
+ATOM O O . LEU A A 83 83 ? 2.140 12.532 18.718 1.000 8.310 1 645 1
+ATOM C CB . LEU A A 83 83 ? 2.726 12.699 21.769 1.000 5.050 1 646 1
+ATOM C CG . LEU A A 83 83 ? 2.205 12.890 23.178 1.000 9.540 1 647 1
+ATOM C CD1 . LEU A A 83 83 ? 2.776 14.162 23.757 1.000 6.610 1 648 1
+ATOM C CD2 . LEU A A 83 83 ? 0.698 12.954 23.181 1.000 6.610 1 649 1
+ATOM N N . LEU A A 84 84 ? 3.430 10.689 19.107 1.000 7.280 1 650 1
+ATOM C CA . LEU A A 84 84 ? 3.978 10.584 17.749 1.000 7.180 1 651 1
+ATOM C C . LEU A A 84 84 ? 3.378 9.654 16.695 1.000 5.880 1 652 1
+ATOM O O . LEU A A 84 84 ? 3.826 9.627 15.528 1.000 6.400 1 653 1
+ATOM C CB . LEU A A 84 84 ? 5.452 10.142 17.808 1.000 5.540 1 654 1
+ATOM C CG . LEU A A 84 84 ? 6.401 10.950 18.668 1.000 8.530 1 655 1
+ATOM C CD1 . LEU A A 84 84 ? 7.811 10.448 18.470 1.000 5.000 1 656 1
+ATOM C CD2 . LEU A A 84 84 ? 6.321 12.414 18.312 1.000 5.000 1 657 1
+ATOM N N . SER A A 85 85 ? 2.372 8.917 17.136 1.000 6.530 1 658 1
+ATOM C CA . SER A A 85 85 ? 1.743 7.858 16.338 1.000 7.250 1 659 1
+ATOM C C . SER A A 85 85 ? 0.811 8.628 15.401 1.000 4.020 1 660 1
+ATOM O O . SER A A 85 85 ? 0.515 9.822 15.624 1.000 8.630 1 661 1
+ATOM C CB . SER A A 85 85 ? 1.006 6.889 17.235 1.000 3.820 1 662 1
+ATOM O OG . SER A A 85 85 ? -0.358 7.258 17.414 1.000 5.200 1 663 1
+ATOM N N . SER A A 86 86 ? 0.370 7.917 14.377 1.000 5.750 1 664 1
+ATOM C CA . SER A A 86 86 ? -0.493 8.474 13.328 1.000 10.230 1 665 1
+ATOM C C . SER A A 86 86 ? -1.961 8.775 13.630 1.000 10.380 1 666 1
+ATOM O O . SER A A 86 86 ? -2.652 9.464 12.847 1.000 2.620 1 667 1
+ATOM C CB . SER A A 86 86 ? -0.544 7.540 12.138 1.000 5.610 1 668 1
+ATOM O OG . SER A A 86 86 ? 0.714 6.920 11.891 1.000 2.240 1 669 1
+ATOM N N . ASP A A 87 87 ? -2.397 8.252 14.765 1.000 7.910 1 670 1
+ATOM C CA . ASP A A 87 87 ? -3.703 8.580 15.349 1.000 7.960 1 671 1
+ATOM C C . ASP A A 87 87 ? -3.278 9.708 16.290 1.000 7.480 1 672 1
+ATOM O O . ASP A A 87 87 ? -2.358 9.544 17.119 1.000 5.440 1 673 1
+ATOM C CB . ASP A A 87 87 ? -4.296 7.326 16.026 1.000 4.770 1 674 1
+ATOM C CG . ASP A A 87 87 ? -5.651 7.609 16.619 1.000 8.200 1 675 1
+ATOM O OD1 . ASP A A 87 87 ? -5.868 8.414 17.507 1.000 5.170 1 676 1
+ATOM O OD2 . ASP A A 87 87 ? -6.570 7.022 16.116 1.000 5.170 1 677 1
+ATOM N N . ILE A A 88 88 ? -3.968 10.827 16.137 1.000 7.350 1 678 1
+ATOM C CA . ILE A A 88 88 ? -3.676 12.058 16.882 1.000 6.310 1 679 1
+ATOM C C . ILE A A 88 88 ? -4.476 12.191 18.179 1.000 11.890 1 680 1
+ATOM O O . ILE A A 88 88 ? -4.449 13.246 18.848 1.000 9.480 1 681 1
+ATOM C CB . ILE A A 88 88 ? -3.999 13.324 16.050 1.000 7.400 1 682 1
+ATOM C CG1 . ILE A A 88 88 ? -5.520 13.503 15.790 1.000 3.390 1 683 1
+ATOM C CG2 . ILE A A 88 88 ? -3.120 13.117 14.814 1.000 5.690 1 684 1
+ATOM C CD1 . ILE A A 88 88 ? -5.893 14.881 15.197 1.000 7.340 1 685 1
+ATOM N N . THR A A 89 89 ? -5.166 11.108 18.500 1.000 6.350 1 686 1
+ATOM C CA . THR A A 89 89 ? -6.137 11.073 19.601 1.000 6.050 1 687 1
+ATOM C C . THR A A 89 89 ? -5.518 11.514 20.928 1.000 6.930 1 688 1
+ATOM O O . THR A A 89 89 ? -6.071 12.379 21.641 1.000 8.340 1 689 1
+ATOM C CB . THR A A 89 89 ? -6.676 9.632 19.684 1.000 6.380 1 690 1
+ATOM O OG1 . THR A A 89 89 ? -7.389 9.456 18.464 1.000 7.230 1 691 1
+ATOM C CG2 . THR A A 89 89 ? -7.590 9.426 20.862 1.000 5.180 1 692 1
+ATOM N N . ALA A A 90 90 ? -4.378 10.908 21.220 1.000 9.430 1 693 1
+ATOM C CA . ALA A A 90 90 ? -3.609 11.188 22.439 1.000 7.160 1 694 1
+ATOM C C . ALA A A 90 90 ? -3.093 12.623 22.544 1.000 7.060 1 695 1
+ATOM O O . ALA A A 90 90 ? -3.062 13.219 23.642 1.000 11.160 1 696 1
+ATOM C CB . ALA A A 90 90 ? -2.366 10.285 22.407 1.000 4.150 1 697 1
+ATOM N N . SER A A 91 91 ? -2.704 13.142 21.390 1.000 7.900 1 698 1
+ATOM C CA . SER A A 91 91 ? -2.271 14.538 21.243 1.000 5.160 1 699 1
+ATOM C C . SER A A 91 91 ? -3.335 15.615 21.450 1.000 5.990 1 700 1
+ATOM O O . SER A A 91 91 ? -3.088 16.646 22.107 1.000 6.670 1 701 1
+ATOM C CB . SER A A 91 91 ? -1.709 14.771 19.858 1.000 9.900 1 702 1
+ATOM O OG . SER A A 91 91 ? -0.485 14.073 19.653 1.000 5.990 1 703 1
+ATOM N N . VAL A A 92 92 ? -4.499 15.339 20.885 1.000 7.380 1 704 1
+ATOM C CA . VAL A A 92 92 ? -5.696 16.168 21.065 1.000 9.470 1 705 1
+ATOM C C . VAL A A 92 92 ? -6.000 16.144 22.563 1.000 8.290 1 706 1
+ATOM O O . VAL A A 92 92 ? -6.050 17.201 23.229 1.000 5.110 1 707 1
+ATOM C CB . VAL A A 92 92 ? -6.839 15.621 20.222 1.000 6.940 1 708 1
+ATOM C CG1 . VAL A A 92 92 ? -8.256 15.940 20.758 1.000 5.200 1 709 1
+ATOM C CG2 . VAL A A 92 92 ? -6.685 15.967 18.764 1.000 5.200 1 710 1
+ATOM N N . ASN A A 93 93 ? -6.191 14.933 23.056 1.000 6.830 1 711 1
+ATOM C CA . ASN A A 93 93 ? -6.649 14.687 24.429 1.000 8.220 1 712 1
+ATOM C C . ASN A A 93 93 ? -5.798 15.516 25.392 1.000 8.440 1 713 1
+ATOM O O . ASN A A 93 93 ? -6.318 16.114 26.357 1.000 6.510 1 714 1
+ATOM C CB . ASN A A 93 93 ? -6.543 13.180 24.747 1.000 5.420 1 715 1
+ATOM C CG . ASN A A 93 93 ? -7.855 12.475 24.517 1.000 6.220 1 716 1
+ATOM O OD1 . ASN A A 93 93 ? -8.905 13.286 24.106 1.000 4.860 1 717 1
+ATOM N ND2 . ASN A A 93 93 ? -8.054 11.291 24.719 1.000 4.860 1 718 1
+ATOM N N . CYS A A 94 94 ? -4.507 15.530 25.098 1.000 6.260 1 719 1
+ATOM C CA . CYS A A 94 94 ? -3.491 16.132 25.968 1.000 5.760 1 720 1
+ATOM C C . CYS A A 94 94 ? -3.460 17.640 25.717 1.000 7.190 1 721 1
+ATOM O O . CYS A A 94 94 ? -3.312 18.448 26.658 1.000 7.240 1 722 1
+ATOM C CB . CYS A A 94 94 ? -2.104 15.661 25.614 1.000 7.700 1 723 1
+ATOM S SG . CYS A A 94 94 ? -0.751 16.286 26.655 1.000 17.520 1 724 1
+ATOM N N . ALA A A 95 95 ? -3.608 17.978 24.446 1.000 8.040 1 725 1
+ATOM C CA . ALA A A 95 95 ? -3.642 19.372 23.984 1.000 4.760 1 726 1
+ATOM C C . ALA A A 95 95 ? -4.806 20.146 24.604 1.000 7.510 1 727 1
+ATOM O O . ALA A A 95 95 ? -4.728 21.376 24.808 1.000 9.400 1 728 1
+ATOM C CB . ALA A A 95 95 ? -3.884 19.371 22.467 1.000 8.340 1 729 1
+ATOM N N . LYS A A 96 96 ? -5.859 19.397 24.892 1.000 5.340 1 730 1
+ATOM C CA . LYS A A 96 96 ? -7.077 19.930 25.515 1.000 3.690 1 731 1
+ATOM C C . LYS A A 96 96 ? -6.787 20.418 26.936 1.000 7.220 1 732 1
+ATOM O O . LYS A A 96 96 ? -7.221 21.518 27.341 1.000 7.120 1 733 1
+ATOM C CB . LYS A A 96 96 ? -8.173 18.872 25.577 1.000 5.180 1 734 1
+ATOM C CG . LYS A A 96 96 ? -8.864 18.597 24.253 1.000 6.160 1 735 1
+ATOM C CD . LYS A A 96 96 ? -10.303 18.152 24.471 1.000 6.550 1 736 1
+ATOM C CE . LYS A A 96 96 ? -10.943 17.676 23.175 1.000 2.930 1 737 1
+ATOM N NZ . LYS A A 96 96 ? -11.372 16.265 23.285 1.000 5.320 1 738 1
+ATOM N N . LYS A A 97 97 ? -6.053 19.583 27.655 1.000 7.900 1 739 1
+ATOM C CA . LYS A A 97 97 ? -5.564 19.899 29.003 1.000 6.120 1 740 1
+ATOM C C . LYS A A 97 97 ? -4.650 21.123 29.083 1.000 7.790 1 741 1
+ATOM O O . LYS A A 97 97 ? -4.714 21.914 30.048 1.000 8.520 1 742 1
+ATOM C CB . LYS A A 97 97 ? -4.777 18.734 29.592 1.000 3.200 1 743 1
+ATOM C CG . LYS A A 97 97 ? -5.631 17.629 30.185 1.000 3.570 1 744 1
+ATOM C CD . LYS A A 97 97 ? -5.012 17.090 31.470 1.000 4.690 1 745 1
+ATOM C CE . LYS A A 97 97 ? -6.040 16.365 32.325 1.000 5.340 1 746 1
+ATOM N NZ . LYS A A 97 97 ? -5.848 16.676 33.758 1.000 3.610 1 747 1
+ATOM N N . ILE A A 98 98 ? -3.822 21.247 28.057 1.000 6.490 1 748 1
+ATOM C CA . ILE A A 98 98 ? -2.695 22.188 28.043 1.000 7.090 1 749 1
+ATOM C C . ILE A A 98 98 ? -3.443 23.520 27.957 1.000 8.850 1 750 1
+ATOM O O . ILE A A 98 98 ? -3.258 24.420 28.803 1.000 0.960 1 751 1
+ATOM C CB . ILE A A 98 98 ? -1.759 21.946 26.833 1.000 10.990 1 752 1
+ATOM C CG1 . ILE A A 98 98 ? -0.719 20.822 27.091 1.000 5.840 1 753 1
+ATOM C CG2 . ILE A A 98 98 ? -1.197 23.348 26.589 1.000 6.760 1 754 1
+ATOM C CD1 . ILE A A 98 98 ? -0.368 19.997 25.832 1.000 5.680 1 755 1
+ATOM N N . VAL A A 99 99 ? -4.277 23.605 26.933 1.000 4.980 1 756 1
+ATOM C CA . VAL A A 99 99 ? -5.126 24.777 26.684 1.000 4.350 1 757 1
+ATOM C C . VAL A A 99 99 ? -6.220 25.287 27.623 1.000 6.260 1 758 1
+ATOM O O . VAL A A 99 99 ? -6.579 26.485 27.604 1.000 4.540 1 759 1
+ATOM C CB . VAL A A 99 99 ? -5.881 24.599 25.374 1.000 4.580 1 760 1
+ATOM C CG1 . VAL A A 99 99 ? -7.242 23.869 25.500 1.000 4.510 1 761 1
+ATOM C CG2 . VAL A A 99 99 ? -5.991 25.888 24.602 1.000 4.510 1 762 1
+ATOM N N . SER A A 100 100 ? -6.719 24.361 28.426 1.000 6.280 1 763 1
+ATOM C CA . SER A A 100 100 ? -7.754 24.640 29.429 1.000 6.270 1 764 1
+ATOM C C . SER A A 100 100 ? -7.148 25.347 30.644 1.000 6.620 1 765 1
+ATOM O O . SER A A 100 100 ? -7.856 26.042 31.404 1.000 2.150 1 766 1
+ATOM C CB . SER A A 100 100 ? -8.411 23.354 29.880 1.000 7.280 1 767 1
+ATOM O OG . SER A A 100 100 ? -9.394 22.901 28.952 1.000 2.060 1 768 1
+ATOM N N . ASP A A 101 101 ? -5.846 25.151 30.791 1.000 5.730 1 769 1
+ATOM C CA . ASP A A 101 101 ? -5.195 25.028 32.101 1.000 6.230 1 770 1
+ATOM C C . ASP A A 101 101 ? -4.688 26.407 32.526 1.000 5.680 1 771 1
+ATOM O O . ASP A A 101 101 ? -4.196 26.592 33.660 1.000 3.170 1 772 1
+ATOM C CB . ASP A A 101 101 ? -4.040 24.008 32.010 1.000 2.310 1 773 1
+ATOM C CG . ASP A A 101 101 ? -4.250 23.038 30.875 1.000 1.840 1 774 1
+ATOM O OD1 . ASP A A 101 101 ? -5.315 22.517 30.592 1.000 1.650 1 775 1
+ATOM O OD2 . ASP A A 101 101 ? -3.289 22.831 30.187 1.000 1.650 1 776 1
+ATOM N N . GLY A A 102 102 ? -4.827 27.343 31.600 1.000 6.060 1 777 1
+ATOM C CA . GLY A A 102 102 ? -4.564 28.766 31.850 1.000 6.780 1 778 1
+ATOM C C . GLY A A 102 102 ? -4.189 29.899 30.893 1.000 4.780 1 779 1
+ATOM O O . GLY A A 102 102 ? -4.797 30.990 30.915 1.000 4.700 1 780 1
+ATOM N N . ASN A A 103 103 ? -3.194 29.603 30.071 1.000 6.080 1 781 1
+ATOM C CA . ASN A A 103 103 ? -2.659 30.551 29.085 1.000 7.320 1 782 1
+ATOM C C . ASN A A 103 103 ? -3.235 30.404 27.676 1.000 7.200 1 783 1
+ATOM O O . ASN A A 103 103 ? -2.774 31.062 26.718 1.000 8.070 1 784 1
+ATOM C CB . ASN A A 103 103 ? -1.126 30.391 28.992 1.000 6.180 1 785 1
+ATOM C CG . ASN A A 103 103 ? -0.485 30.448 30.354 1.000 3.930 1 786 1
+ATOM O OD1 . ASN A A 103 103 ? -0.597 31.374 31.138 1.000 1.930 1 787 1
+ATOM N ND2 . ASN A A 103 103 ? 0.126 29.467 30.680 1.000 1.930 1 788 1
+ATOM N N . GLY A A 104 104 ? -4.236 29.544 27.590 1.000 6.110 1 789 1
+ATOM C CA . GLY A A 104 104 ? -4.933 29.247 26.332 1.000 3.960 1 790 1
+ATOM C C . GLY A A 104 104 ? -3.781 28.789 25.437 1.000 8.850 1 791 1
+ATOM O O . GLY A A 104 104 ? -2.788 28.199 25.915 1.000 5.700 1 792 1
+ATOM N N . MET A A 105 105 ? -3.944 29.079 24.156 1.000 7.610 1 793 1
+ATOM C CA . MET A A 105 105 ? -2.996 28.667 23.113 1.000 5.880 1 794 1
+ATOM C C . MET A A 105 105 ? -1.664 29.416 23.044 1.000 7.150 1 795 1
+ATOM O O . MET A A 105 105 ? -0.854 29.206 22.114 1.000 7.920 1 796 1
+ATOM C CB . MET A A 105 105 ? -3.645 28.821 21.715 1.000 4.340 1 797 1
+ATOM C CG . MET A A 105 105 ? -4.905 27.990 21.606 1.000 7.080 1 798 1
+ATOM S SD . MET A A 105 105 ? -5.271 27.559 19.909 1.000 18.170 1 799 1
+ATOM C CE . MET A A 105 105 ? -3.740 26.779 19.481 1.000 6.970 1 800 1
+ATOM N N . ASN A A 106 106 ? -1.471 30.270 24.038 1.000 8.680 1 801 1
+ATOM C CA . ASN A A 106 106 ? -0.252 31.077 24.179 1.000 7.470 1 802 1
+ATOM C C . ASN A A 106 106 ? 0.834 30.083 24.591 1.000 6.720 1 803 1
+ATOM O O . ASN A A 106 106 ? 2.046 30.376 24.498 1.000 7.620 1 804 1
+ATOM C CB . ASN A A 106 106 ? -0.486 32.190 25.224 1.000 7.620 1 805 1
+ATOM C CG . ASN A A 106 106 ? -1.276 33.332 24.641 1.000 7.060 1 806 1
+ATOM O OD1 . ASN A A 106 106 ? -0.738 33.911 23.498 1.000 7.110 1 807 1
+ATOM N ND2 . ASN A A 106 106 ? -2.291 33.799 25.129 1.000 7.110 1 808 1
+ATOM N N . ALA A A 107 107 ? 0.368 28.926 25.033 1.000 6.980 1 809 1
+ATOM C CA . ALA A A 107 107 ? 1.231 27.860 25.559 1.000 5.100 1 810 1
+ATOM C C . ALA A A 107 107 ? 2.097 27.357 24.404 1.000 8.170 1 811 1
+ATOM O O . ALA A A 107 107 ? 3.119 26.669 24.616 1.000 5.180 1 812 1
+ATOM C CB . ALA A A 107 107 ? 0.377 26.663 26.009 1.000 7.330 1 813 1
+ATOM N N . TRP A A 108 108 ? 1.665 27.720 23.207 1.000 7.310 1 814 1
+ATOM C CA . TRP A A 108 108 ? 2.358 27.366 21.961 1.000 9.280 1 815 1
+ATOM C C . TRP A A 108 108 ? 3.015 28.582 21.305 1.000 5.670 1 816 1
+ATOM O O . TRP A A 108 108 ? 2.361 29.343 20.558 1.000 7.480 1 817 1
+ATOM C CB . TRP A A 108 108 ? 1.355 26.718 21.008 1.000 6.860 1 818 1
+ATOM C CG . TRP A A 108 108 ? 0.976 25.223 21.328 1.000 5.390 1 819 1
+ATOM C CD1 . TRP A A 108 108 ? 1.697 24.108 21.145 1.000 6.330 1 820 1
+ATOM C CD2 . TRP A A 108 108 ? -0.209 24.797 21.936 1.000 7.370 1 821 1
+ATOM N NE1 . TRP A A 108 108 ? 0.928 22.954 21.572 1.000 4.990 1 822 1
+ATOM C CE2 . TRP A A 108 108 ? -0.166 23.379 22.073 1.000 7.200 1 823 1
+ATOM C CE3 . TRP A A 108 108 ? -1.317 25.481 22.381 1.000 7.150 1 824 1
+ATOM C CZ2 . TRP A A 108 108 ? -1.172 22.592 22.641 1.000 6.460 1 825 1
+ATOM C CZ3 . TRP A A 108 108 ? -2.333 24.676 22.939 1.000 5.130 1 826 1
+ATOM C CH2 . TRP A A 108 108 ? -2.242 23.301 23.098 1.000 2.030 1 827 1
+ATOM N N . VAL A A 109 109 ? 4.298 28.728 21.599 1.000 8.540 1 828 1
+ATOM C CA . VAL A A 109 109 ? 5.094 29.887 21.171 1.000 9.580 1 829 1
+ATOM C C . VAL A A 109 109 ? 4.820 30.215 19.703 1.000 7.440 1 830 1
+ATOM O O . VAL A A 109 109 ? 4.593 31.388 19.336 1.000 6.200 1 831 1
+ATOM C CB . VAL A A 109 109 ? 6.575 29.603 21.382 1.000 4.400 1 832 1
+ATOM C CG1 . VAL A A 109 109 ? 7.011 28.150 21.068 1.000 1.470 1 833 1
+ATOM C CG2 . VAL A A 109 109 ? 7.449 30.625 20.703 1.000 1.470 1 834 1
+ATOM N N . ALA A A 110 110 ? 4.844 29.162 18.902 1.000 8.960 1 835 1
+ATOM C CA . ALA A A 110 110 ? 4.474 29.226 17.483 1.000 4.990 1 836 1
+ATOM C C . ALA A A 110 110 ? 3.117 29.809 17.086 1.000 2.950 1 837 1
+ATOM O O . ALA A A 110 110 ? 3.007 30.579 16.107 1.000 6.610 1 838 1
+ATOM C CB . ALA A A 110 110 ? 4.465 27.760 17.017 1.000 4.320 1 839 1
+ATOM N N . TRP A A 111 111 ? 2.117 29.427 17.865 1.000 7.570 1 840 1
+ATOM C CA . TRP A A 111 111 ? 0.732 29.873 17.670 1.000 7.220 1 841 1
+ATOM C C . TRP A A 111 111 ? 0.717 31.377 17.949 1.000 9.330 1 842 1
+ATOM O O . TRP A A 111 111 ? 0.276 32.185 17.103 1.000 8.720 1 843 1
+ATOM C CB . TRP A A 111 111 ? -0.178 29.073 18.602 1.000 5.030 1 844 1
+ATOM C CG . TRP A A 111 111 ? -1.496 29.887 18.321 1.000 4.630 1 845 1
+ATOM C CD1 . TRP A A 111 111 ? -2.359 29.778 17.300 1.000 5.210 1 846 1
+ATOM C CD2 . TRP A A 111 111 ? -2.041 30.866 19.157 1.000 8.520 1 847 1
+ATOM N NE1 . TRP A A 111 111 ? -3.421 30.755 17.453 1.000 6.300 1 848 1
+ATOM C CE2 . TRP A A 111 111 ? -3.243 31.351 18.566 1.000 7.600 1 849 1
+ATOM C CE3 . TRP A A 111 111 ? -1.624 31.390 20.359 1.000 6.130 1 850 1
+ATOM C CZ2 . TRP A A 111 111 ? -4.071 32.336 19.114 1.000 5.880 1 851 1
+ATOM C CZ3 . TRP A A 111 111 ? -2.458 32.393 20.896 1.000 5.140 1 852 1
+ATOM C CH2 . TRP A A 111 111 ? -3.647 32.814 20.318 1.000 5.530 1 853 1
+ATOM N N . ARG A A 112 112 ? 1.206 31.713 19.134 1.000 6.140 1 854 1
+ATOM C CA . ARG A A 112 112 ? 1.321 33.104 19.591 1.000 7.160 1 855 1
+ATOM C C . ARG A A 112 112 ? 1.993 34.098 18.643 1.000 13.000 1 856 1
+ATOM O O . ARG A A 112 112 ? 1.458 35.195 18.374 1.000 5.490 1 857 1
+ATOM C CB . ARG A A 112 112 ? 2.129 33.197 20.901 1.000 8.480 1 858 1
+ATOM C CG . ARG A A 112 112 ? 2.323 34.631 21.428 1.000 4.240 1 859 1
+ATOM C CD . ARG A A 112 112 ? 3.227 34.620 22.645 1.000 6.360 1 860 1
+ATOM N NE . ARG A A 112 112 ? 3.352 33.262 23.200 1.000 6.550 1 861 1
+ATOM C CZ . ARG A A 112 112 ? 4.533 32.711 23.554 1.000 1.380 1 862 1
+ATOM N NH1 . ARG A A 112 112 ? 5.690 33.338 23.294 1.000 3.690 1 863 1
+ATOM N NH2 . ARG A A 112 112 ? 4.535 31.543 24.171 1.000 3.690 1 864 1
+ATOM N N . ASN A A 113 113 ? 3.152 33.682 18.156 1.000 7.370 1 865 1
+ATOM C CA . ASN A A 113 113 ? 3.974 34.485 17.242 1.000 4.170 1 866 1
+ATOM C C . ASN A A 113 113 ? 3.701 34.537 15.738 1.000 4.050 1 867 1
+ATOM O O . ASN A A 113 113 ? 4.036 35.528 15.055 1.000 9.080 1 868 1
+ATOM C CB . ASN A A 113 113 ? 5.448 34.033 17.339 1.000 2.990 1 869 1
+ATOM C CG . ASN A A 113 113 ? 6.091 34.527 18.608 1.000 7.810 1 870 1
+ATOM O OD1 . ASN A A 113 113 ? 5.666 35.439 19.295 1.000 6.540 1 871 1
+ATOM N ND2 . ASN A A 113 113 ? 7.211 33.819 19.025 1.000 6.540 1 872 1
+ATOM N N . ARG A A 114 114 ? 3.090 33.463 15.264 1.000 10.460 1 873 1
+ATOM C CA . ARG A A 114 114 ? 2.707 33.315 13.854 1.000 8.350 1 874 1
+ATOM C C . ARG A A 114 114 ? 1.272 33.006 13.425 1.000 9.440 1 875 1
+ATOM O O . ARG A A 114 114 ? 0.968 32.904 12.216 1.000 7.580 1 876 1
+ATOM C CB . ARG A A 114 114 ? 3.494 32.174 13.177 1.000 7.040 1 877 1
+ATOM C CG . ARG A A 114 114 ? 4.864 31.879 13.816 1.000 4.860 1 878 1
+ATOM C CD . ARG A A 114 114 ? 5.576 30.787 13.041 1.000 4.760 1 879 1
+ATOM N NE . ARG A A 114 114 ? 5.894 31.230 11.674 1.000 10.020 1 880 1
+ATOM C CZ . ARG A A 114 114 ? 6.600 30.482 10.797 1.000 3.540 1 881 1
+ATOM N NH1 . ARG A A 114 114 ? 7.459 29.545 11.227 1.000 4.400 1 882 1
+ATOM N NH2 . ARG A A 114 114 ? 6.427 30.680 9.502 1.000 4.400 1 883 1
+ATOM N N . CYS A A 115 115 ? 0.424 32.870 14.433 1.000 3.860 1 884 1
+ATOM C CA . CYS A A 115 115 ? -0.977 32.469 14.254 1.000 5.720 1 885 1
+ATOM C C . CYS A A 115 115 ? -1.939 33.510 14.827 1.000 8.420 1 886 1
+ATOM O O . CYS A A 115 115 ? -2.800 34.059 14.105 1.000 10.340 1 887 1
+ATOM C CB . CYS A A 115 115 ? -1.473 31.102 14.660 1.000 8.910 1 888 1
+ATOM S SG . CYS A A 115 115 ? -0.692 29.682 13.829 1.000 17.650 1 889 1
+ATOM N N . LYS A A 116 116 ? -1.762 33.759 16.116 1.000 13.980 1 890 1
+ATOM C CA . LYS A A 116 116 ? -2.486 34.814 16.838 1.000 6.580 1 891 1
+ATOM C C . LYS A A 116 116 ? -2.683 36.087 16.014 1.000 9.010 1 892 1
+ATOM O O . LYS A A 116 116 ? -1.707 36.766 15.631 1.000 7.100 1 893 1
+ATOM C CB . LYS A A 116 116 ? -1.752 35.214 18.113 1.000 3.170 1 894 1
+ATOM C CG . LYS A A 116 116 ? -2.639 35.792 19.199 1.000 5.970 1 895 1
+ATOM C CD . LYS A A 116 116 ? -2.044 35.546 20.581 1.000 4.240 1 896 1
+ATOM C CE . LYS A A 116 116 ? -2.520 36.581 21.588 1.000 5.250 1 897 1
+ATOM N NZ . LYS A A 116 116 ? -1.714 36.521 22.827 1.000 7.600 1 898 1
+ATOM N N . GLY A A 117 117 ? -3.951 36.379 15.766 1.000 5.560 1 899 1
+ATOM C CA . GLY A A 117 117 ? -4.378 37.635 15.138 1.000 5.290 1 900 1
+ATOM C C . GLY A A 117 117 ? -4.172 37.815 13.634 1.000 4.380 1 901 1
+ATOM O O . GLY A A 117 117 ? -3.896 38.934 13.149 1.000 5.660 1 902 1
+ATOM N N . THR A A 118 118 ? -4.318 36.702 12.932 1.000 7.500 1 903 1
+ATOM C CA . THR A A 118 118 ? -4.023 36.614 11.496 1.000 5.500 1 904 1
+ATOM C C . THR A A 118 118 ? -5.438 36.035 11.459 1.000 8.630 1 905 1
+ATOM O O . THR A A 118 118 ? -6.058 35.778 12.513 1.000 8.510 1 906 1
+ATOM C CB . THR A A 118 118 ? -2.752 35.756 11.344 1.000 4.450 1 907 1
+ATOM O OG1 . THR A A 118 118 ? -3.207 34.423 11.555 1.000 7.810 1 908 1
+ATOM C CG2 . THR A A 118 118 ? -1.690 36.117 12.347 1.000 6.130 1 909 1
+ATOM N N . ASP A A 119 119 ? -5.909 35.841 10.237 1.000 7.420 1 910 1
+ATOM C CA . ASP A A 119 119 ? -7.293 35.432 9.966 1.000 3.260 1 911 1
+ATOM C C . ASP A A 119 119 ? -6.909 33.976 9.700 1.000 6.670 1 912 1
+ATOM O O . ASP A A 119 119 ? -6.432 33.626 8.599 1.000 8.900 1 913 1
+ATOM C CB . ASP A A 119 119 ? -7.860 36.269 8.799 1.000 3.540 1 914 1
+ATOM C CG . ASP A A 119 119 ? -8.096 35.418 7.580 1.000 6.730 1 915 1
+ATOM O OD1 . ASP A A 119 119 ? -9.160 35.320 6.994 1.000 1.850 1 916 1
+ATOM O OD2 . ASP A A 119 119 ? -7.128 34.853 7.148 1.000 1.850 1 917 1
+ATOM N N . VAL A A 120 120 ? -7.134 33.163 10.721 1.000 5.880 1 918 1
+ATOM C CA . VAL A A 120 120 ? -6.730 31.751 10.726 1.000 6.100 1 919 1
+ATOM C C . VAL A A 120 120 ? -7.663 30.801 9.977 1.000 5.790 1 920 1
+ATOM O O . VAL A A 120 120 ? -7.279 29.664 9.623 1.000 5.290 1 921 1
+ATOM C CB . VAL A A 120 120 ? -6.614 31.252 12.160 1.000 5.760 1 922 1
+ATOM C CG1 . VAL A A 120 120 ? -5.449 31.869 12.972 1.000 4.650 1 923 1
+ATOM C CG2 . VAL A A 120 120 ? -7.927 31.324 12.894 1.000 4.650 1 924 1
+ATOM N N . GLN A A 121 121 ? -8.870 31.296 9.750 1.000 5.190 1 925 1
+ATOM C CA . GLN A A 121 121 ? -9.825 30.681 8.823 1.000 6.020 1 926 1
+ATOM C C . GLN A A 121 121 ? -9.328 30.237 7.452 1.000 6.680 1 927 1
+ATOM O O . GLN A A 121 121 ? -9.892 29.314 6.827 1.000 5.820 1 928 1
+ATOM C CB . GLN A A 121 121 ? -10.949 31.655 8.600 1.000 6.940 1 929 1
+ATOM C CG . GLN A A 121 121 ? -11.879 31.743 9.729 1.000 1.720 1 930 1
+ATOM C CD . GLN A A 121 121 ? -13.137 32.586 9.474 1.000 0.910 1 931 1
+ATOM O OE1 . GLN A A 121 121 ? -14.225 32.236 10.048 1.000 2.300 1 932 1
+ATOM N NE2 . GLN A A 121 121 ? -13.029 33.623 8.757 1.000 2.300 1 933 1
+ATOM N N . ALA A A 122 122 ? -8.270 30.906 7.020 1.000 7.870 1 934 1
+ATOM C CA . ALA A A 122 122 ? -7.629 30.645 5.725 1.000 7.720 1 935 1
+ATOM C C . ALA A A 122 122 ? -7.007 29.250 5.645 1.000 6.200 1 936 1
+ATOM O O . ALA A A 122 122 ? -6.693 28.747 4.544 1.000 5.550 1 937 1
+ATOM C CB . ALA A A 122 122 ? -6.469 31.642 5.564 1.000 2.870 1 938 1
+ATOM N N . TRP A A 123 123 ? -6.851 28.660 6.819 1.000 5.880 1 939 1
+ATOM C CA . TRP A A 123 123 ? -6.268 27.322 6.975 1.000 6.990 1 940 1
+ATOM C C . TRP A A 123 123 ? -7.232 26.167 6.703 1.000 9.220 1 941 1
+ATOM O O . TRP A A 123 123 ? -6.815 25.056 6.309 1.000 6.320 1 942 1
+ATOM C CB . TRP A A 123 123 ? -5.714 27.188 8.393 1.000 4.930 1 943 1
+ATOM C CG . TRP A A 123 123 ? -4.401 28.049 8.492 1.000 6.070 1 944 1
+ATOM C CD1 . TRP A A 123 123 ? -4.165 29.156 9.207 1.000 6.330 1 945 1
+ATOM C CD2 . TRP A A 123 123 ? -3.187 27.756 7.863 1.000 5.360 1 946 1
+ATOM N NE1 . TRP A A 123 123 ? -2.809 29.614 8.969 1.000 6.660 1 947 1
+ATOM C CE2 . TRP A A 123 123 ? -2.238 28.759 8.217 1.000 7.600 1 948 1
+ATOM C CE3 . TRP A A 123 123 ? -2.804 26.736 7.023 1.000 6.010 1 949 1
+ATOM C CZ2 . TRP A A 123 123 ? -0.910 28.801 7.782 1.000 3.840 1 950 1
+ATOM C CZ3 . TRP A A 123 123 ? -1.467 26.796 6.578 1.000 5.990 1 951 1
+ATOM C CH2 . TRP A A 123 123 ? -0.553 27.762 6.976 1.000 5.990 1 952 1
+ATOM N N . ILE A A 124 124 ? -8.504 26.465 6.917 1.000 8.620 1 953 1
+ATOM C CA . ILE A A 124 124 ? -9.607 25.561 6.574 1.000 3.570 1 954 1
+ATOM C C . ILE A A 124 124 ? -10.546 25.869 5.406 1.000 4.850 1 955 1
+ATOM O O . ILE A A 124 124 ? -11.634 25.266 5.278 1.000 6.080 1 956 1
+ATOM C CB . ILE A A 124 124 ? -10.605 25.401 7.747 1.000 7.880 1 957 1
+ATOM C CG1 . ILE A A 124 124 ? -11.101 26.762 8.307 1.000 3.940 1 958 1
+ATOM C CG2 . ILE A A 124 124 ? -9.812 24.518 8.711 1.000 5.630 1 959 1
+ATOM C CD1 . ILE A A 124 124 ? -12.219 26.630 9.363 1.000 3.970 1 960 1
+ATOM N N . ARG A A 125 125 ? -10.094 26.800 4.579 1.000 5.740 1 961 1
+ATOM C CA . ARG A A 125 125 ? -10.680 27.053 3.257 1.000 7.800 1 962 1
+ATOM C C . ARG A A 125 125 ? -10.400 25.834 2.377 1.000 4.300 1 963 1
+ATOM O O . ARG A A 125 125 ? -9.302 25.241 2.427 1.000 5.590 1 964 1
+ATOM C CB . ARG A A 125 125 ? -10.079 28.318 2.611 1.000 2.090 1 965 1
+ATOM C CG . ARG A A 125 125 ? -10.882 29.607 2.869 1.000 1.230 1 966 1
+ATOM C CD . ARG A A 125 125 ? -10.241 30.773 2.143 1.000 2.550 1 967 1
+ATOM N NE . ARG A A 125 125 ? -9.998 31.898 3.060 1.000 1.580 1 968 1
+ATOM C CZ . ARG A A 125 125 ? -9.027 32.814 2.868 1.000 1.000 1 969 1
+ATOM N NH1 . ARG A A 125 125 ? -8.153 32.687 1.860 1.000 2.270 1 970 1
+ATOM N NH2 . ARG A A 125 125 ? -8.950 33.847 3.688 1.000 2.270 1 971 1
+ATOM N N . GLY A A 126 126 ? -11.408 25.495 1.588 1.000 6.660 1 972 1
+ATOM C CA . GLY A A 126 126 ? -11.354 24.358 0.661 1.000 1.760 1 973 1
+ATOM C C . GLY A A 126 126 ? -11.981 23.090 1.241 1.000 5.620 1 974 1
+ATOM O O . GLY A A 126 126 ? -12.497 22.227 0.498 1.000 1.370 1 975 1
+ATOM N N . CYS A A 127 127 ? -11.923 23.014 2.562 1.000 7.450 1 976 1
+ATOM C CA . CYS A A 127 127 ? -12.328 21.822 3.316 1.000 4.380 1 977 1
+ATOM C C . CYS A A 127 127 ? -13.810 21.466 3.444 1.000 5.550 1 978 1
+ATOM O O . CYS A A 127 127 ? -14.658 22.333 3.747 1.000 5.820 1 979 1
+ATOM C CB . CYS A A 127 127 ? -11.477 21.725 4.558 1.000 1.500 1 980 1
+ATOM S SG . CYS A A 127 127 ? -9.740 22.242 4.384 1.000 14.600 1 981 1
+ATOM N N . ARG A A 128 128 ? -14.081 20.191 3.213 1.000 4.410 1 982 1
+ATOM C CA . ARG A A 128 128 ? -15.407 19.600 3.434 1.000 2.690 1 983 1
+ATOM C C . ARG A A 128 128 ? -15.228 19.414 4.941 1.000 7.310 1 984 1
+ATOM O O . ARG A A 128 128 ? -14.487 18.516 5.396 1.000 1.900 1 985 1
+ATOM C CB . ARG A A 128 128 ? -15.590 18.312 2.604 1.000 0.350 1 986 1
+ATOM C CG . ARG A A 128 128 ? -14.719 18.243 1.335 1.000 1.360 1 987 1
+ATOM C CD . ARG A A 128 128 ? -14.891 16.897 0.658 1.000 3.920 1 988 1
+ATOM N NE . ARG A A 128 128 ? -13.854 16.681 -0.364 1.000 0.250 1 989 1
+ATOM C CZ . ARG A A 128 128 ? -13.411 15.458 -0.724 1.000 0.540 1 990 1
+ATOM N NH1 . ARG A A 128 128 ? -13.787 14.365 -0.047 1.000 2.810 1 991 1
+ATOM N NH2 . ARG A A 128 128 ? -12.600 15.351 -1.762 1.000 2.810 1 992 1
+ATOM N N . LEU A A 129 129 ? -15.920 20.270 5.677 1.000 1.460 1 993 1
+ATOM C CA . LEU A A 129 129 ? -15.930 20.242 7.145 1.000 6.530 1 994 1
+ATOM C C . LEU A A 129 129 ? -17.437 20.359 7.380 1.000 8.260 1 995 1
+ATOM O O . LEU A A 129 129 ? -18.187 20.864 6.516 1.000 4.340 1 996 1
+ATOM C CB . LEU A A 129 129 ? -15.086 21.404 7.703 1.000 4.410 1 997 1
+ATOM C CG . LEU A A 129 129 ? -13.595 21.390 7.436 1.000 3.740 1 998 1
+ATOM C CD1 . LEU A A 129 129 ? -12.954 22.586 8.097 1.000 3.020 1 999 1
+ATOM C CD2 . LEU A A 129 129 ? -12.974 20.117 7.959 1.000 3.020 1 1000 1
+ATOM O OXT . LEU A A 129 129 ? -17.840 19.891 8.551 1.000 4.690 1 1001 1
diff --git a/modules/saxs/test/test_saxs_tools.py b/modules/saxs/test/test_saxs_tools.py
index 48f370bdc9..5a62cfb0d9 100644
--- a/modules/saxs/test/test_saxs_tools.py
+++ b/modules/saxs/test/test_saxs_tools.py
@@ -25,6 +25,21 @@ def test_compute_rg(self):
         self.assertIsNotNone(m, msg="Rg value output not found in " + str(out))
         self.assertAlmostEqual(float(m.group(1)), 13.966, delta=0.1)
 
+    def test_compute_rg_cif(self):
+        """Simple test of Rg calculation with mmCIF input"""
+        p = self.run_application('compute_rg',
+                                 [self.get_input_file_name('6lyz.cif'),
+                                  self.get_input_file_name('lyzexp.dat')])
+        out, err = p.communicate()
+        sys.stderr.write(err)
+        self.assertApplicationExitedCleanly(p.returncode, err)
+        m = re.search('lyzexp.dat Rg= ([\d\.]+)', out)
+        self.assertIsNotNone(m, msg="Rg value output not found in " + str(out))
+        self.assertAlmostEqual(float(m.group(1)), 15.14, delta=0.1)
+        m = re.search('6lyz.cif Rg= ([\d\.]+)', out)
+        self.assertIsNotNone(m, msg="Rg value output not found in " + str(out))
+        self.assertAlmostEqual(float(m.group(1)), 13.966, delta=0.1)
+
     def test_compute_chi(self):
         """Simple test of Chi calculation"""
         print(self.get_input_file_name('6lyz.pdb'))

From 48fb1bd35911eac5c04bc53d9f9cdd0176c79b8a Mon Sep 17 00:00:00 2001
From: Barak Raveh <barak.raveh@mail.huji.ac.il>
Date: Wed, 21 Jul 2021 15:39:29 +0300
Subject: [PATCH 062/250] minor cleaning of old comments + new comments

---
 modules/atom/include/estimates.h |  2 +-
 modules/atom/src/estimates.cpp   | 37 ++------------------------------
 2 files changed, 3 insertions(+), 36 deletions(-)

diff --git a/modules/atom/include/estimates.h b/modules/atom/include/estimates.h
index e497d5bcef..3b877a206c 100644
--- a/modules/atom/include/estimates.h
+++ b/modules/atom/include/estimates.h
@@ -168,7 +168,7 @@ IMPATOMEXPORT double get_diffusion_angle
     @param dt time step in femtoseconds
 
     @note The units of displacements and dt params could be actually
-    arbitrary.  The units of thE returned value will simply change to
+    arbitrary.  The units of the returned value will simply change to
     e.g.  cm^2/sec if displacements and dt are specified in cm and
     seconds, resp.
 
diff --git a/modules/atom/src/estimates.cpp b/modules/atom/src/estimates.cpp
index 3ee91948ef..ea2ea0a080 100644
--- a/modules/atom/src/estimates.cpp
+++ b/modules/atom/src/estimates.cpp
@@ -191,6 +191,8 @@ double get_diffusion_angle(double D, double dtfs) {
 }
 
 namespace {
+  // Iterates over coordinate index of displacement vectors [b..e]
+  // over timesteps dt. Subtracts mean displacement before computing D
   template <class It>
   double get_diffusion_coefficient_of_coord_i
   (It b, It e, int index, double dt)
@@ -268,21 +270,6 @@ double get_diffusion_coefficient(const algebra::Vector3Ds &displacements,
         displacements.end(), i, dt);
   }
   IMP_LOG_TERSE("Diffusion coefficients are " << Ds << std::endl);
-  // int len = displacements.size() / 2;
-  // algebra::Vector3D Ds0;
-  // for (unsigned int i = 0; i < 3; ++i) {
-  //   Ds0[i] = get_diffusion_coefficient_of_coord_i
-  //     ( displacements.begin(),
-  //       displacements.begin() + len, i, dt);
-  // }
-  // algebra::Vector3D Ds1;
-  // for (unsigned int i = 0; i < 3; ++i) {
-  //   Ds1[i] = get_diffusion_coefficient_of_coord_i
-  //     ( displacements.begin() + len,
-  //       displacements.end(), i, dt);
-  // }
-  // IMP_LOG_TERSE("Partial coefficients are " << Ds0 << " and " << Ds1
-  //                                           << std::endl);
   return std::accumulate(Ds.begin(), Ds.end(), 0.0) / 3.0;
 }
 
@@ -299,23 +286,6 @@ double get_diffusion_coefficient
         dts.begin(), dts.end() );
   }
   IMP_LOG_TERSE("Diffusion coefficients are " << Ds << std::endl);
-  // int len = displacements.size() / 2;
-  // algebra::Vector3D Ds0;
-  // for (unsigned int i = 0; i < 3; ++i) {
-  //   Ds0[i] = get_diffusion_coefficient_of_coord_i
-  //     ( displacements.begin(),
-  //       displacements.begin() + len, i,
-  //       dts.begin(), dts.begin()+len );
-  // }
-  // algebra::Vector3D Ds1;
-  // for (unsigned int i = 0; i < 3; ++i) {
-  //   Ds1[i] = get_diffusion_coefficient_of_coord_i
-  //     ( displacements.begin() + len,
-  //       displacements.end(), i,
-  //       dts.begin() + len, dts.end() );
-  // }
-  // IMP_LOG_TERSE("Partial coefficients are " << Ds0 << " and " << Ds1
-  //               << std::endl);
   return std::accumulate(Ds.begin(), Ds.end(), 0.0) / 3.0;
 }
 
@@ -330,9 +300,6 @@ double get_rotational_diffusion_coefficient(
     algebra::Rotation3D diff = crot / orot;
     diffs[i - 1] = algebra::get_axis_and_angle(diff).second;
   }
-  //  double mean_nonrandom = std::accumulate(diffs.begin(), diffs.end(), 0.0) / diffs.size();
-  //IMP_LOG_PROGRESS("Mean non-random component: "
-  //                 << mean_nonrandom << std::endl);
   double sum2 = 0.0;
   for (unsigned int i = 0; i < diffs.size(); ++i) {
     //  double random= diffs[i]; // DEBUG: removing - mean_nonrandom;

From 1f279e1e7148bf1802a0db7c37278eb6a09aceea Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 26 Jul 2021 14:10:39 -0700
Subject: [PATCH 063/250] Squashed 'modules/core/dependency/python-ihm/'
 changes from 4c01d7d594..6931237c47

6931237c47 Handle struct_ref 1-letter code being '?'
a1a137478f Update for 0.21 release
eb20cbd65d Note differences between ihm.Atom and ihm.model.Atom
8b19ec4ce5 Add crosslinks
b0afd9a8ed Fix issues noted by flake8
533372d001 Note support for atom_site.auth_seq_id
6660806a7f Use asym method to get auth_seq_id and test
d62db236f4 Fix typo
b1068e9f12 Merge pull request ihmwg/python-ihm#61 from rvhonorato/auth_seq_id
257a731ebb linting
cd878a6123 update tests
17a9f8e449 add auth_seq_id to the atom dumper
fb9199d655 Add HETATM to stream parser example
6fbfcb1544 Fix links for master->main renaming
1443aa21be Add a Python example using ihm.format
c2eab1f1f7 Ignore Mac junk
b60e88446e Document handling of missing/unknown/omitted values
f67d035cf3 Put changes in right place, not under 0.20 release
fd85002332 Fill in nonpoly chemcomp from pdbx_nonpoly_scheme
9d82315f87 Quiet flake8 error
0670829d15 Use UTF8 rather than bytes for all BinaryCIF text
db62b6533f Check with CodeQL

git-subtree-dir: modules/core/dependency/python-ihm
git-subtree-split: 6931237c47367221d5382d44995601313fa21f50
---
 .../.github/workflows/codeql-analysis.yml     |  58 +++++
 modules/core/dependency/python-ihm/.gitignore |   1 +
 .../core/dependency/python-ihm/ChangeLog.rst  |  10 +
 .../core/dependency/python-ihm/MANIFEST.in    |   2 +-
 .../core/dependency/python-ihm/docs/index.rst |   5 +-
 .../dependency/python-ihm/docs/lowlevel.rst   |   9 +
 .../core/dependency/python-ihm/docs/usage.rst |   4 +-
 .../dependency/python-ihm/examples/mini.cif   | 117 +++++++++
 .../python-ihm/examples/stream_parser.py      |  34 +++
 .../dependency/python-ihm/ihm/__init__.py     |   7 +-
 .../dependency/python-ihm/ihm/dictionary.py   |   2 +-
 .../core/dependency/python-ihm/ihm/dumper.py  |   4 +-
 .../core/dependency/python-ihm/ihm/format.py  |  17 +-
 .../dependency/python-ihm/ihm/format_bcif.py  | 110 ++++-----
 .../core/dependency/python-ihm/ihm/model.py   |  10 +-
 .../core/dependency/python-ihm/ihm/reader.py  |  16 +-
 modules/core/dependency/python-ihm/setup.py   |   2 +-
 .../dependency/python-ihm/test/test_dumper.py |  25 +-
 .../python-ihm/test/test_examples.py          |   7 +-
 .../python-ihm/test/test_format_bcif.py       | 228 +++++++++---------
 .../dependency/python-ihm/test/test_reader.py |  27 ++-
 21 files changed, 497 insertions(+), 198 deletions(-)
 create mode 100644 modules/core/dependency/python-ihm/.github/workflows/codeql-analysis.yml
 create mode 100644 modules/core/dependency/python-ihm/docs/lowlevel.rst
 create mode 100644 modules/core/dependency/python-ihm/examples/mini.cif
 create mode 100644 modules/core/dependency/python-ihm/examples/stream_parser.py

diff --git a/modules/core/dependency/python-ihm/.github/workflows/codeql-analysis.yml b/modules/core/dependency/python-ihm/.github/workflows/codeql-analysis.yml
new file mode 100644
index 0000000000..e245e2d3da
--- /dev/null
+++ b/modules/core/dependency/python-ihm/.github/workflows/codeql-analysis.yml
@@ -0,0 +1,58 @@
+# For most projects, this workflow file will not need changing; you simply need
+# to commit it to your repository.
+#
+# You may wish to alter this file to override the set of languages analyzed,
+# or to provide custom queries or build logic.
+#
+# ******** NOTE ********
+# We have attempted to detect the languages in your repository. Please check
+# the `language` matrix defined below to confirm you have the correct set of
+# supported CodeQL languages.
+#
+name: "CodeQL"
+
+on:
+  push:
+    branches: [ main ]
+  pull_request:
+    # The branches below must be a subset of the branches above
+    branches: [ main ]
+  schedule:
+    - cron: '27 17 * * 5'
+
+jobs:
+  analyze:
+    name: Analyze
+    runs-on: ubuntu-latest
+    permissions:
+      actions: read
+      contents: read
+      security-events: write
+
+    strategy:
+      fail-fast: false
+      matrix:
+        language: [ 'cpp', 'python' ]
+        # CodeQL supports [ 'cpp', 'csharp', 'go', 'java', 'javascript', 'python' ]
+        # Learn more:
+        # https://docs.github.com/en/free-pro-team@latest/github/finding-security-vulnerabilities-and-errors-in-your-code/configuring-code-scanning#changing-the-languages-that-are-analyzed
+
+    steps:
+    - name: Checkout repository
+      uses: actions/checkout@v2
+
+    # Initializes the CodeQL tools for scanning.
+    - name: Initialize CodeQL
+      uses: github/codeql-action/init@v1
+      with:
+        languages: ${{ matrix.language }}
+        # If you wish to specify custom queries, you can do so here or in a config file.
+        # By default, queries listed here will override any specified in a config file.
+        # Prefix the list here with "+" to use these queries and those in the config file.
+        # queries: ./path/to/local/query, your-org/your-repo/queries@main
+    
+    - run: |
+       python setup.py build_ext --inplace -t build
+
+    - name: Perform CodeQL Analysis
+      uses: github/codeql-action/analyze@v1
diff --git a/modules/core/dependency/python-ihm/.gitignore b/modules/core/dependency/python-ihm/.gitignore
index f94f3e3138..8d4fe04dcb 100644
--- a/modules/core/dependency/python-ihm/.gitignore
+++ b/modules/core/dependency/python-ihm/.gitignore
@@ -1,3 +1,4 @@
+.DS_Store
 # vim swapfiles
 .*.swp
 
diff --git a/modules/core/dependency/python-ihm/ChangeLog.rst b/modules/core/dependency/python-ihm/ChangeLog.rst
index a4c8c61ec4..67706a60c9 100644
--- a/modules/core/dependency/python-ihm/ChangeLog.rst
+++ b/modules/core/dependency/python-ihm/ChangeLog.rst
@@ -1,3 +1,13 @@
+0.21 - 2021-07-14
+=================
+  - BinaryCIF files now use UTF8 msgpack strings for all text, rather than
+    raw bytes. This should make python-ihm's BinaryCIF files interoperable
+    with those used by, e.g., CoordinateServer.
+  - Output mmCIF files now include author-provided numbering (auth_seq_id)
+    for atoms in the atom_site table. This should help packages that don't
+    read the pdbx_poly_seq_scheme table to show the desired residue
+    numbering (#61).
+
 0.20 - 2021-05-06
 =================
   - Support for Python 2.6 has been dropped. The library needs Python 2.7
diff --git a/modules/core/dependency/python-ihm/MANIFEST.in b/modules/core/dependency/python-ihm/MANIFEST.in
index dc6db6df53..4dcc6e81c7 100644
--- a/modules/core/dependency/python-ihm/MANIFEST.in
+++ b/modules/core/dependency/python-ihm/MANIFEST.in
@@ -4,4 +4,4 @@ include examples/*
 include util/make-mmcif.py
 include src/ihm_format.h
 include src/ihm_format.i
-include src/ihm_format_wrap_0.20.c
+include src/ihm_format_wrap_0.21.c
diff --git a/modules/core/dependency/python-ihm/docs/index.rst b/modules/core/dependency/python-ihm/docs/index.rst
index 2d8582eef6..c01c14311c 100644
--- a/modules/core/dependency/python-ihm/docs/index.rst
+++ b/modules/core/dependency/python-ihm/docs/index.rst
@@ -5,9 +5,9 @@ This is a Python package to assist in handling mmCIF files compliant
 with the integrative/hybrid modeling (IHM) extension.
 
 The documentation below documents the library API. For complete worked examples,
-see `the examples directory at GitHub <https://github.com/ihmwg/python-ihm/tree/master/examples>`_
+see `the examples directory at GitHub <https://github.com/ihmwg/python-ihm/tree/main/examples>`_
 or real systems deposited using the library, such as
-`Nup133 <https://github.com/integrativemodeling/nup133/tree/master/outputs_foxs_ensemble_new/pdb-dev>`_.
+`Nup133 <https://github.com/integrativemodeling/nup133/tree/main/outputs_foxs_ensemble_new/pdb-dev>`_.
 
 Contents
 ========
@@ -19,6 +19,7 @@ Contents
    usage
    provenance
    design
+   lowlevel
    changes
 
 API Reference:
diff --git a/modules/core/dependency/python-ihm/docs/lowlevel.rst b/modules/core/dependency/python-ihm/docs/lowlevel.rst
new file mode 100644
index 0000000000..fd6f0f8817
--- /dev/null
+++ b/modules/core/dependency/python-ihm/docs/lowlevel.rst
@@ -0,0 +1,9 @@
+Low-level usage
+***************
+
+The library can also be used at a lower level, to extract a subset of data
+from an mmCIF file. This can be done in either C or Python code.
+
+For more information, see the :mod:`ihm.format` module, or the
+`atom_reader.c <https://github.com/ihmwg/python-ihm/blob/main/examples/atom_reader.c>`_ or
+`stream_parser.py <https://github.com/ihmwg/python-ihm/blob/main/examples/stream_parser.py>`_ examples.
diff --git a/modules/core/dependency/python-ihm/docs/usage.rst b/modules/core/dependency/python-ihm/docs/usage.rst
index 0e78234cc3..d0b099e0d9 100644
--- a/modules/core/dependency/python-ihm/docs/usage.rst
+++ b/modules/core/dependency/python-ihm/docs/usage.rst
@@ -6,7 +6,7 @@ Python objects that together describe the system, and then dumping that
 hierarchy to an mmCIF file.
 
 For a complete worked example, see the
-`simple docking example <https://github.com/ihmwg/python-ihm/blob/master/examples/simple-docking.py>`_.
+`simple docking example <https://github.com/ihmwg/python-ihm/blob/main/examples/simple-docking.py>`_.
 
 The top level of the hierarchy in IHM is the :class:`ihm.System`. All other
 objects are referenced from a System object.
@@ -28,7 +28,7 @@ or EMPIAR, or :class:`ihm.location.InputFileLocation` for something that's
 stored as a simple file, either on the local disk or at a location described
 with a DOI such as `Zenodo <https://zenodo.org>`_ or a publication's
 supplementary information. See the
-`locations example <https://github.com/ihmwg/python-ihm/blob/master/examples/locations.py>`_
+`locations example <https://github.com/ihmwg/python-ihm/blob/main/examples/locations.py>`_
 for more examples.
 
 System architecture
diff --git a/modules/core/dependency/python-ihm/examples/mini.cif b/modules/core/dependency/python-ihm/examples/mini.cif
new file mode 100644
index 0000000000..503bb3c7d3
--- /dev/null
+++ b/modules/core/dependency/python-ihm/examples/mini.cif
@@ -0,0 +1,117 @@
+data_model
+#
+_exptl.method 'model, MODELLER Version 9.24 2020/08/21 11:54:31'
+#
+_modeller.version 9.24
+#
+loop_
+_struct_asym.id
+_struct_asym.entity_id
+_struct_asym.details
+A 1 ?
+B 2 ?
+#
+loop_
+_entity_poly_seq.entity_id
+_entity_poly_seq.num
+_entity_poly_seq.mon_id
+1 1 VAL
+1 2 GLY
+1 3 GLN
+1 4 GLN
+1 5 TYR
+1 6 SER
+1 7 SER
+2 1 ASP
+2 2 GLU
+#
+loop_
+_atom_site.group_PDB
+_atom_site.type_symbol
+_atom_site.label_atom_id
+_atom_site.label_alt_id
+_atom_site.label_comp_id
+_atom_site.label_asym_id
+_atom_site.auth_asym_id
+_atom_site.label_seq_id
+_atom_site.auth_seq_id
+_atom_site.pdbx_PDB_ins_code
+_atom_site.Cartn_x
+_atom_site.Cartn_y
+_atom_site.Cartn_z
+_atom_site.occupancy
+_atom_site.B_iso_or_equiv
+_atom_site.label_entity_id
+_atom_site.id
+_atom_site.pdbx_PDB_model_num
+ATOM N N . VAL A A 1 2 ? 115.846 27.965 -26.370 1.000 141.830 1 1 1
+ATOM C CA . VAL A A 1 2 ? 114.370 27.980 -26.088 1.000 143.490 1 2 1
+ATOM C C . VAL A A 1 2 ? 113.517 27.504 -27.287 1.000 143.910 1 3 1
+ATOM O O . VAL A A 1 2 ? 113.885 27.746 -28.441 1.000 146.600 1 4 1
+ATOM C CB . VAL A A 1 2 ? 113.901 29.406 -25.683 1.000 143.750 1 5 1
+ATOM C CG1 . VAL A A 1 2 ? 115.030 30.438 -25.931 1.000 144.590 1 6 1
+ATOM C CG2 . VAL A A 1 2 ? 112.669 29.783 -26.486 1.000 144.500 1 7 1
+ATOM N N . GLY A A 2 3 ? 112.371 26.869 -27.012 1.000 142.200 1 8 1
+ATOM C CA . GLY A A 2 3 ? 111.506 26.368 -28.075 1.000 137.530 1 9 1
+ATOM C C . GLY A A 2 3 ? 111.719 24.869 -28.275 1.000 135.820 1 10 1
+ATOM O O . GLY A A 2 3 ? 110.768 24.093 -28.268 1.000 134.380 1 11 1
+ATOM N N . GLN A A 3 4 ? 112.989 24.479 -28.392 1.000 134.310 1 12 1
+ATOM C CA . GLN A A 3 4 ? 113.468 23.113 -28.639 1.000 128.420 1 13 1
+ATOM C C . GLN A A 3 4 ? 113.556 22.956 -30.163 1.000 121.240 1 14 1
+ATOM O O . GLN A A 3 4 ? 113.552 23.977 -30.840 1.000 127.090 1 15 1
+ATOM C CB . GLN A A 3 4 ? 112.614 22.038 -27.919 1.000 132.340 1 16 1
+ATOM C CG . GLN A A 3 4 ? 113.028 21.943 -26.407 1.000 135.370 1 17 1
+ATOM C CD . GLN A A 3 4 ? 112.604 20.667 -25.677 1.000 138.260 1 18 1
+ATOM O OE1 . GLN A A 3 4 ? 112.836 19.543 -26.150 1.000 141.450 1 19 1
+ATOM N NE2 . GLN A A 3 4 ? 112.006 20.839 -24.497 1.000 139.310 1 20 1
+ATOM N N . GLN A A 4 5 ? 113.648 21.739 -30.710 1.000 124.970 1 21 1
+ATOM C CA . GLN A A 4 5 ? 113.808 21.534 -32.168 1.000 117.620 1 22 1
+ATOM C C . GLN A A 4 5 ? 114.778 22.519 -32.833 1.000 112.980 1 23 1
+ATOM O O . GLN A A 4 5 ? 114.677 23.727 -32.677 1.000 116.850 1 24 1
+ATOM C CB . GLN A A 4 5 ? 112.456 21.545 -32.905 1.000 121.870 1 25 1
+ATOM C CG . GLN A A 4 5 ? 111.763 20.153 -32.917 1.000 123.750 1 26 1
+ATOM C CD . GLN A A 4 5 ? 110.863 19.874 -34.145 1.000 123.650 1 27 1
+ATOM O OE1 . GLN A A 4 5 ? 110.040 20.712 -34.537 1.000 122.500 1 28 1
+ATOM N NE2 . GLN A A 4 5 ? 111.008 18.674 -34.737 1.000 122.090 1 29 1
+ATOM N N . TYR A A 5 6 ? 115.713 21.980 -33.598 1.000 109.460 1 30 1
+ATOM C CA . TYR A A 5 6 ? 116.743 22.770 -34.259 1.000 103.700 1 31 1
+ATOM C C . TYR A A 5 6 ? 116.348 23.366 -35.602 1.000 100.320 1 32 1
+ATOM O O . TYR A A 5 6 ? 115.530 22.799 -36.311 1.000 98.760 1 33 1
+ATOM C CB . TYR A A 5 6 ? 117.973 21.876 -34.402 1.000 104.580 1 34 1
+ATOM C CG . TYR A A 5 6 ? 119.003 22.282 -35.425 1.000 105.030 1 35 1
+ATOM C CD1 . TYR A A 5 6 ? 119.591 23.546 -35.395 1.000 106.020 1 36 1
+ATOM C CD2 . TYR A A 5 6 ? 119.450 21.366 -36.380 1.000 105.180 1 37 1
+ATOM C CE1 . TYR A A 5 6 ? 120.606 23.890 -36.289 1.000 106.990 1 38 1
+ATOM C CE2 . TYR A A 5 6 ? 120.461 21.694 -37.276 1.000 106.420 1 39 1
+ATOM C CZ . TYR A A 5 6 ? 121.039 22.958 -37.226 1.000 107.110 1 40 1
+ATOM O OH . TYR A A 5 6 ? 122.057 23.290 -38.095 1.000 107.500 1 41 1
+ATOM N N . SER A A 6 7 ? 116.921 24.519 -35.944 1.000 96.290 1 42 1
+ATOM C CA . SER A A 6 7 ? 116.626 25.161 -37.229 1.000 93.490 1 43 1
+ATOM C C . SER A A 6 7 ? 117.900 25.595 -37.944 1.000 91.900 1 44 1
+ATOM O O . SER A A 6 7 ? 118.767 26.246 -37.352 1.000 91.810 1 45 1
+ATOM C CB . SER A A 6 7 ? 115.732 26.388 -37.048 1.000 93.090 1 46 1
+ATOM O OG . SER A A 6 7 ? 116.503 27.521 -36.705 1.000 92.330 1 47 1
+ATOM N N . SER A A 7 8 ? 117.999 25.245 -39.224 1.000 89.750 1 48 1
+ATOM C CA . SER A A 7 8 ? 119.165 25.590 -40.036 1.000 87.320 1 49 1
+ATOM C C . SER A A 7 8 ? 119.224 27.089 -40.277 1.000 84.820 1 50 1
+ATOM O O . SER A A 7 8 ? 120.074 27.594 -41.008 1.000 84.020 1 51 1
+ATOM C CB . SER A A 7 8 ? 119.112 24.859 -41.383 1.000 88.180 1 52 1
+ATOM O OG . SER A A 7 8 ? 117.956 25.221 -42.117 1.000 88.850 1 53 1
+ATOM N N . ASP B B 1 3 ? 71.339 57.678 52.031 1.000 152.010 2 54 1
+ATOM C CA . ASP B B 1 3 ? 70.427 58.819 51.717 1.000 152.390 2 55 1
+ATOM C C . ASP B B 1 3 ? 70.144 58.821 50.222 1.000 151.960 2 56 1
+ATOM O O . ASP B B 1 3 ? 70.984 59.245 49.435 1.000 151.590 2 57 1
+ATOM C CB . ASP B B 1 3 ? 71.083 60.142 52.119 1.000 153.250 2 58 1
+ATOM C CG . ASP B B 1 3 ? 71.660 60.105 53.526 1.000 154.120 2 59 1
+ATOM O OD1 . ASP B B 1 3 ? 72.652 59.371 53.741 1.000 154.200 2 60 1
+ATOM O OD2 . ASP B B 1 3 ? 71.119 60.804 54.415 1.000 154.250 2 61 1
+ATOM N N . GLU B B 2 4 ? 68.956 58.362 49.837 1.000 151.910 2 62 1
+ATOM C CA . GLU B B 2 4 ? 68.584 58.274 48.425 1.000 152.090 2 63 1
+ATOM C C . GLU B B 2 4 ? 68.584 59.573 47.616 1.000 151.320 2 64 1
+ATOM O O . GLU B B 2 4 ? 67.786 59.730 46.686 1.000 150.840 2 65 1
+ATOM C CB . GLU B B 2 4 ? 67.218 57.585 48.274 1.000 153.600 2 66 1
+ATOM C CG . GLU B B 2 4 ? 66.035 58.328 48.890 1.000 155.740 2 67 1
+ATOM C CD . GLU B B 2 4 ? 64.690 57.699 48.526 1.000 156.760 2 68 1
+ATOM O OE1 . GLU B B 2 4 ? 64.487 56.498 48.819 1.000 156.940 2 69 1
+ATOM O OE2 . GLU B B 2 4 ? 63.835 58.409 47.947 1.000 157.060 2 70 1
+HETATM FE FE1 . SF4 C C . 1 ? 14.698 20.785 10.230 1.00 13.78 3 71 1
diff --git a/modules/core/dependency/python-ihm/examples/stream_parser.py b/modules/core/dependency/python-ihm/examples/stream_parser.py
new file mode 100644
index 0000000000..a781365681
--- /dev/null
+++ b/modules/core/dependency/python-ihm/examples/stream_parser.py
@@ -0,0 +1,34 @@
+# This example demonstrates the use of the Python IHM library at a low
+# level, to parse an mmCIF file and extract a subset of its data.
+# This particular example just extracts the atomic coordinates.
+
+import ihm.format
+
+
+# Make an object to handle a given mmCIF category in the file; it will
+# be called for each line in the loop construct.
+class AtomSiteHandler(object):
+    # If a given keyword is not in the file, or has the special
+    # mmCIF omitted (.) or unknown (?) value, the corresponding argument
+    # to __call__ will be given these values:
+    not_in_file = omitted = None
+    unknown = ihm.unknown
+
+    # Extract the group_PDB, Cartn_x, Cartn_y, Cartn_z keywords from
+    # the mmCIF category (mmCIF keywords are case-insensitive, but the
+    # Python arguments here should be lowercase).
+    def __call__(self, group_pdb, cartn_x, cartn_y, cartn_z):
+        if group_pdb == 'ATOM':
+            print("Atom at %s, %s, %s" % (cartn_x, cartn_y, cartn_z))
+
+
+ash = AtomSiteHandler()
+with open('mini.cif') as fh:
+    # Extract keywords from the _atom_site mmCIF category using the
+    # AtomSiteHandler defined above
+    c = ihm.format.CifReader(fh, category_handler={'_atom_site': ash})
+
+    # Read the first data block in mini.cif
+    # (This will return True as long as there are more blocks, so it can
+    # be put in a while loop.)
+    c.read_file()
diff --git a/modules/core/dependency/python-ihm/ihm/__init__.py b/modules/core/dependency/python-ihm/ihm/__init__.py
index 747246e9c7..e6a3335a52 100644
--- a/modules/core/dependency/python-ihm/ihm/__init__.py
+++ b/modules/core/dependency/python-ihm/ihm/__init__.py
@@ -19,7 +19,7 @@
     import urllib2
 import json
 
-__version__ = '0.20'
+__version__ = '0.21'
 
 
 class __UnknownValue(object):
@@ -958,6 +958,9 @@ def __hash__(self):
 class Atom(object):
     """A single atom in an entity or asymmetric unit. Usually these objects
        are created by calling :meth:`Residue.atom`.
+
+       Note that this class does not store atomic coordinates of a given
+       atom in a given model; for that, see :class:`ihm.model.Atom`.
     """
 
     __slots__ = ['residue', 'id']
@@ -1042,7 +1045,7 @@ class Entity(object):
            rna_with_psu = ihm.Entity(('A', 'C', psu), alphabet=ihm.RNAAlphabet)
 
        For more examples, see the
-       `ligands and water example <https://github.com/ihmwg/python-ihm/blob/master/examples/ligands_water.py>`_.
+       `ligands and water example <https://github.com/ihmwg/python-ihm/blob/main/examples/ligands_water.py>`_.
 
        All entities should be stored in the top-level System object;
        see :attr:`System.entities`.
diff --git a/modules/core/dependency/python-ihm/ihm/dictionary.py b/modules/core/dependency/python-ihm/ihm/dictionary.py
index 1b8167ea0e..ef3532b85b 100644
--- a/modules/core/dependency/python-ihm/ihm/dictionary.py
+++ b/modules/core/dependency/python-ihm/ihm/dictionary.py
@@ -161,7 +161,7 @@ class Dictionary(object):
        Multiple Dictionaries can be added together to yield a Dictionary
        that includes all the data in the original Dictionaries.
 
-       See the `validator example <https://github.com/ihmwg/python-ihm/blob/master/examples/validate_pdb_dev.py>`_
+       See the `validator example <https://github.com/ihmwg/python-ihm/blob/main/examples/validate_pdb_dev.py>`_
        for an example of using this class."""  # noqa: E501
     def __init__(self):
         #: Mapping from name to :class:`Category` objects
diff --git a/modules/core/dependency/python-ihm/ihm/dumper.py b/modules/core/dependency/python-ihm/ihm/dumper.py
index 4511db3d39..db1ba7d5d4 100644
--- a/modules/core/dependency/python-ihm/ihm/dumper.py
+++ b/modules/core/dependency/python-ihm/ihm/dumper.py
@@ -1464,7 +1464,7 @@ def dump_atoms(self, system, writer):
         with writer.loop("_atom_site",
                          ["group_PDB", "id", "type_symbol",
                           "label_atom_id", "label_alt_id", "label_comp_id",
-                          "label_seq_id",
+                          "label_seq_id", "auth_seq_id",
                           "label_asym_id", "Cartn_x",
                           "Cartn_y", "Cartn_z", "occupancy", "label_entity_id",
                           "auth_asym_id",
@@ -1477,6 +1477,7 @@ def dump_atoms(self, system, writer):
                     seq_id = 1 if atom.seq_id is None else atom.seq_id
                     comp = atom.asym_unit.entity.sequence[seq_id - 1]
                     seen_types[atom.type_symbol] = None
+                    auth_seq_id = atom.asym_unit._get_auth_seq_id(seq_id)
                     lp.write(id=next(ordinal),
                              type_symbol=atom.type_symbol,
                              group_PDB='HETATM' if atom.het else 'ATOM',
@@ -1485,6 +1486,7 @@ def dump_atoms(self, system, writer):
                              label_asym_id=atom.asym_unit._id,
                              label_entity_id=atom.asym_unit.entity._id,
                              label_seq_id=atom.seq_id,
+                             auth_seq_id=auth_seq_id,
                              auth_asym_id=atom.asym_unit._id,
                              Cartn_x=atom.x, Cartn_y=atom.y, Cartn_z=atom.z,
                              B_iso_or_equiv=atom.biso,
diff --git a/modules/core/dependency/python-ihm/ihm/format.py b/modules/core/dependency/python-ihm/ihm/format.py
index d4629730f9..107831e48d 100644
--- a/modules/core/dependency/python-ihm/ihm/format.py
+++ b/modules/core/dependency/python-ihm/ihm/format.py
@@ -4,7 +4,9 @@
    only concerned with handling syntactically correct CIF - it does not know
    the set of tables or the mapping to ihm objects. For that,
    see :mod:`ihm.dumper` for writing and :mod:`ihm.reader` for reading.
-"""
+
+   See also the `stream parser example <https://github.com/ihmwg/python-ihm/blob/main/examples/stream_parser.py>`_.
+"""  # noqa: E501
 
 from __future__ import print_function
 import sys
@@ -293,15 +295,18 @@ class CifReader(_Reader):
        :param dict category_handler: A dict to handle data
               extracted from the file. Keys are category names
               (e.g. "_entry") and values are objects that have a `__call__`
-              method. The names of the arguments to this `__call__` method
+              method and `not_in_file`, `omitted`, and `unknown` attributes.
+              The names of the arguments to this `__call__` method
               are mmCIF keywords that are extracted from the file (for the
               keywords tr_vector[N] and rot_matrix[N][M] simply omit the [
               and ] characters, since these are not valid for Python
               identifiers). The object will be called with the data from
-              the file as a set of strings, or None for any keyword that is
-              not present in the file or is the mmCIF omitted value (.).
-              (mmCIF keywords are case insensitive, so this class always treats
-              them as lowercase regardless of the file contents.)
+              the file as a set of strings, or `not_in_file`, `omitted` or
+              `unkonwn` for any keyword that is not present in the file,
+              the mmCIF omitted value (.), or mmCIF unknown value (?)
+              respectively. (mmCIF keywords are case insensitive, so this
+              class always treats them as lowercase regardless of the
+              file contents.)
        :param unknown_category_handler: A callable (or `None`) that is called
               for each category in the file that isn't handled; it is given
               two arguments: the name of the category, and the line in the
diff --git a/modules/core/dependency/python-ihm/ihm/format_bcif.py b/modules/core/dependency/python-ihm/ihm/format_bcif.py
index 3803caaa9a..0bdcea5436 100644
--- a/modules/core/dependency/python-ihm/ihm/format_bcif.py
+++ b/modules/core/dependency/python-ihm/ihm/format_bcif.py
@@ -26,21 +26,23 @@
 _Float32 = 32
 _Float64 = 33
 
-# msgpack data is binary (bytes); need to convert to/from str in Python 3
-# All mmCIF data is supposed to be ASCII, but be tolerant of random 8-bit data
-# on input by using an 8-bit superset of ASCII (latin-1)
+# msgpack data is UTF-8 strings; need to convert to/from Unicode in Python 2
+# All mmCIF data is ASCII
 if sys.version_info[0] >= 3:
     def _decode_bytes(bs):
-        return bs.decode('latin-1')
+        return bs
 
     def _encode_str(s):
-        return s.encode('ascii', errors='replace')
+        return s
 else:
     def _decode_bytes(bs):
-        return bs
+        if isinstance(bs, unicode):  # noqa: F821
+            return bs.encode('ascii', errors='replace')
+        else:
+            return bs
 
     def _encode_str(s):
-        return s
+        return s.decode('ascii', errors='replace')
 
 
 class _Decoder(object):
@@ -58,13 +60,13 @@ class _StringArrayDecoder(_Decoder):
     """Decode an array of strings stored as a concatenation of all unique
        strings, an array of offsets describing substrings, and indices into
        the offset array."""
-    _kind = b'StringArray'
+    _kind = 'StringArray'
 
     def __call__(self, enc, data):
-        offsets = list(_decode(enc[b'offsets'], enc[b'offsetEncoding']))
-        indices = _decode(data, enc[b'dataEncoding'])
+        offsets = list(_decode(enc['offsets'], enc['offsetEncoding']))
+        indices = _decode(data, enc['dataEncoding'])
         substr = []
-        string_data = _decode_bytes(enc[b'stringData'])
+        string_data = _decode_bytes(enc['stringData'])
         for i in range(0, len(offsets) - 1):
             substr.append(string_data[offsets[i]:offsets[i + 1]])
         # todo: return a listlike class instead?
@@ -75,7 +77,7 @@ def __call__(self, enc, data):
 class _ByteArrayDecoder(_Decoder):
     """Decode an array of numbers of specified type stored as raw bytes"""
 
-    _kind = b'ByteArray'
+    _kind = 'ByteArray'
 
     # Map integer/float type to struct format string
     _struct_map = {
@@ -90,7 +92,7 @@ class _ByteArrayDecoder(_Decoder):
     }
 
     def __call__(self, enc, data):
-        fmt = self._struct_map[enc[b'type']]
+        fmt = self._struct_map[enc['type']]
         sz = len(data) // struct.calcsize(fmt)
         # All data is encoded little-endian in bcif
         return struct.unpack('<' + fmt * sz, data)
@@ -98,10 +100,10 @@ def __call__(self, enc, data):
 
 class _IntegerPackingDecoder(_Decoder):
     """Decode a (32-bit) integer array stored as 8- or 16-bit values."""
-    _kind = b'IntegerPacking'
+    _kind = 'IntegerPacking'
 
     def _unsigned_decode(self, enc, data):
-        limit = 0xFF if enc[b'byteCount'] == 1 else 0xFFFF
+        limit = 0xFF if enc['byteCount'] == 1 else 0xFFFF
         i = 0
         while i < len(data):
             value = 0
@@ -114,7 +116,7 @@ def _unsigned_decode(self, enc, data):
             i += 1
 
     def _signed_decode(self, enc, data):
-        upper_limit = 0x7F if enc[b'byteCount'] == 1 else 0x7FFF
+        upper_limit = 0x7F if enc['byteCount'] == 1 else 0x7FFF
         lower_limit = -upper_limit - 1
         i = 0
         while i < len(data):
@@ -128,7 +130,7 @@ def _signed_decode(self, enc, data):
             i += 1
 
     def __call__(self, enc, data):
-        if enc[b'isUnsigned']:
+        if enc['isUnsigned']:
             return self._unsigned_decode(enc, data)
         else:
             return self._signed_decode(enc, data)
@@ -137,10 +139,10 @@ def __call__(self, enc, data):
 class _DeltaDecoder(_Decoder):
     """Decode an integer array stored as an array of consecutive
        differences."""
-    _kind = b'Delta'
+    _kind = 'Delta'
 
     def __call__(self, enc, data):
-        val = enc[b'origin']
+        val = enc['origin']
         for d in data:
             val += d
             yield val
@@ -148,7 +150,7 @@ def __call__(self, enc, data):
 
 class _RunLengthDecoder(_Decoder):
     """Decode an integer array stored as pairs of (value, number of repeats)"""
-    _kind = b'RunLength'
+    _kind = 'RunLength'
 
     def __call__(self, enc, data):
         data = list(data)
@@ -160,10 +162,10 @@ def __call__(self, enc, data):
 class _FixedPointDecoder(_Decoder):
     """Decode a floating point array stored as integers multiplied by
        a given factor."""
-    _kind = b'FixedPoint'
+    _kind = 'FixedPoint'
 
     def __call__(self, enc, data):
-        factor = float(enc[b'factor'])
+        factor = float(enc['factor'])
         for d in data:
             yield float(d) / factor
 
@@ -184,7 +186,7 @@ def _get_decoder_map():
 def _decode(data, encoding):
     """Decode the data using the list of encodings, and return it."""
     for enc in reversed(encoding):
-        data = _decoder_map[enc[b'kind']](enc, data)
+        data = _decoder_map[enc['kind']](enc, data)
     return data
 
 
@@ -210,8 +212,8 @@ def read_file(self):
         if self._file_blocks is None:
             self._file_blocks = self._read_msgpack()
         if len(self._file_blocks) > 0:
-            for category in self._file_blocks[0][b'categories']:
-                cat_name = _decode_bytes(category[b'name']).lower()
+            for category in self._file_blocks[0]['categories']:
+                cat_name = _decode_bytes(category['name']).lower()
                 handler = self.category_handler.get(cat_name, None)
                 if handler:
                     self._handle_category(handler, category, cat_name)
@@ -232,8 +234,8 @@ def _handle_category(self, handler, category, cat_name):
         for i, key in enumerate(handler._keys):
             key_index[key] = i
         column_indices = []
-        for c in category[b'columns']:
-            key_name = _decode_bytes(c[b'name']).lower()
+        for c in category['columns']:
+            key_name = _decode_bytes(c['name']).lower()
             ki = key_index.get(key_name, None)
             if ki is not None:
                 column_indices.append(ki)
@@ -252,11 +254,11 @@ def _handle_category(self, handler, category, cat_name):
 
     def _read_column(self, column, handler):
         """Read a single category column data"""
-        data = _decode(column[b'data'][b'data'], column[b'data'][b'encoding'])
+        data = _decode(column['data']['data'], column['data']['encoding'])
         # Handle 'unknown' values (mask==2) or 'omitted' (mask==1)
-        if column[b'mask'] is not None:
-            mask = _decode(column[b'mask'][b'data'],
-                           column[b'mask'][b'encoding'])
+        if column['mask'] is not None:
+            mask = _decode(column['mask']['data'],
+                           column['mask']['encoding'])
             data = [handler.unknown if m == 2 else handler.omitted if m == 1
                     else d for d, m in zip(data, mask)]
         return list(data)
@@ -264,8 +266,8 @@ def _read_column(self, column, handler):
     def _read_msgpack(self):
         """Read the msgpack data from the file and return data blocks"""
         import msgpack
-        d = msgpack.unpack(self.fh)
-        return d[b'dataBlocks']
+        d = msgpack.unpack(self.fh, raw=False)
+        return d['dataBlocks']
 
 
 class _CategoryWriter(object):
@@ -359,7 +361,7 @@ class _ByteArrayEncoder(_Encoder):
 
     def __call__(self, data):
         ba_type = _get_int_float_type(data)
-        encdict = {b'kind': b'ByteArray', b'type': ba_type}
+        encdict = {u'kind': u'ByteArray', u'type': ba_type}
         fmt = self._struct_map[ba_type]
         # All data is encoded little-endian in bcif
         return struct.pack('<' + fmt * len(data), *data), encdict
@@ -373,8 +375,8 @@ def __call__(self, data):
         if len(data) <= 40:
             return data, None
         data_type = _get_int_float_type(data)
-        encdict = {b'kind': b'Delta', b'origin': data[0],
-                   b'srcType': data_type}
+        encdict = {u'kind': u'Delta', u'origin': data[0],
+                   u'srcType': data_type}
         encdata = [0] + [data[i] - data[i - 1] for i in range(1, len(data))]
         return encdata, encdict
 
@@ -387,8 +389,8 @@ def __call__(self, data):
         if len(data) <= 40:
             return data, None
         data_type = _get_int_float_type(data)
-        encdict = {b'kind': b'RunLength',
-                   b'srcType': data_type, b'srcSize': len(data)}
+        encdict = {u'kind': u'RunLength',
+                   u'srcType': data_type, u'srcSize': len(data)}
         encdata = []
         val = None
         for d in data:
@@ -457,11 +459,11 @@ def __call__(self, data, mask):
         data_offsets, enc_offsets = _encode(offsets, self._int_encoders)
         data_indices, enc_indices = _encode(indices, self._int_encoders)
 
-        enc_dict = {b'kind': b'StringArray',
-                    b'dataEncoding': enc_indices,
-                    b'stringData': _encode_str(''.join(sorted_substrs)),
-                    b'offsetEncoding': enc_offsets,
-                    b'offsets': data_offsets}
+        enc_dict = {u'kind': u'StringArray',
+                    u'dataEncoding': enc_indices,
+                    u'stringData': _encode_str(''.join(sorted_substrs)),
+                    u'offsetEncoding': enc_offsets,
+                    u'offsets': data_offsets}
         return data_indices, [enc_dict]
 
 
@@ -556,18 +558,18 @@ def _encode_data(self, data):
         encdata, encs = enc(data, mask)
         if mask:
             data_mask, enc_mask = _encode(mask, self._mask_encoders)
-            mask = {b'data': data_mask, b'encoding': enc_mask}
+            mask = {u'data': data_mask, u'encoding': enc_mask}
         return mask, encdata, encs
 
     def _encode_column(self, name, data):
         mask, encdata, encs = self._encode_data(data)
-        return {b'name': _encode_str(name), b'mask': mask,
-                b'data': {b'data': encdata, b'encoding': encs}}
+        return {u'name': _encode_str(name), u'mask': mask,
+                u'data': {u'data': encdata, u'encoding': encs}}
 
     def start_block(self, name):
         """See :meth:`ihm.format.CifWriter.start_block`."""
-        block = {b'header': _encode_str(name), b'categories': []}
-        self._categories = block[b'categories']
+        block = {u'header': _encode_str(name), u'categories': []}
+        self._categories = block[u'categories']
         self._blocks.append(block)
 
     def _add_category(self, category, data):
@@ -579,16 +581,16 @@ def _add_category(self, category, data):
             if row_count == 0:
                 return
             cols.append(self._encode_column(k, v))
-        self._categories.append({b'name': _encode_str(category),
-                                 b'columns': cols, b'rowCount': row_count})
+        self._categories.append({u'name': _encode_str(category),
+                                 u'columns': cols, u'rowCount': row_count})
 
     def flush(self):
-        data = {b'version': _encode_str(ihm.__version__),
-                b'encoder': b'python-ihm library',
-                b'dataBlocks': self._blocks}
+        data = {u'version': _encode_str(ihm.__version__),
+                u'encoder': u'python-ihm library',
+                u'dataBlocks': self._blocks}
         self._write_msgpack(data)
 
     def _write_msgpack(self, data):
         """Read the msgpack data from the file and return data blocks"""
         import msgpack
-        msgpack.pack(data, self.fh)
+        msgpack.pack(data, self.fh, use_bin_type=True)
diff --git a/modules/core/dependency/python-ihm/ihm/model.py b/modules/core/dependency/python-ihm/ihm/model.py
index daa695dbc1..a9673b20a9 100644
--- a/modules/core/dependency/python-ihm/ihm/model.py
+++ b/modules/core/dependency/python-ihm/ihm/model.py
@@ -9,6 +9,8 @@
 class Sphere(object):
     """Coordinates of part of the model represented by a sphere.
 
+       See :meth:`Model.get_spheres` for more details.
+
        :param asym_unit: The asymmetric unit that this sphere represents
        :type asym_unit: :class:`ihm.AsymUnit`
        :param tuple seq_id_range: The range of residues represented by this
@@ -33,7 +35,11 @@ def __init__(self, asym_unit, seq_id_range, x, y, z, radius, rmsf=None):
 class Atom(object):
     """Coordinates of part of the model represented by an atom.
 
-       :param asym_unit: The asymmetric unit that this sphere represents
+       See :meth:`Model.get_atoms` for more details. Note that this class
+       is used only to represent the coordinates of an atom. To access
+       atom-specific properties of the model, see the :class:`ihm.Atom` class.
+
+       :param asym_unit: The asymmetric unit that this atom represents
        :type asym_unit: :class:`ihm.AsymUnit`
        :param int seq_id: The residue index represented by this atom
               (can be None for HETATM sites)
@@ -95,7 +101,7 @@ def get_spheres(self):
            software's own data structures. It is recommended to subclass
            and provide a more efficient implementation. For example, the
            `modeling of Nup133 <https://github.com/integrativemodeling/nup133/>`_
-           uses a `custom subclass <https://github.com/integrativemodeling/nup133/blob/master/outputs_foxs_ensemble_new/pdb-dev/pdb.py>`_
+           uses a `custom subclass <https://github.com/integrativemodeling/nup133/blob/main/outputs_foxs_ensemble_new/pdb-dev/pdb.py>`_
            to pass `BioPython <https://biopython.org/>`_ objects through
            to python-ihm.
 
diff --git a/modules/core/dependency/python-ihm/ihm/reader.py b/modules/core/dependency/python-ihm/ihm/reader.py
index 0fecc84248..9ba389bc3d 100644
--- a/modules/core/dependency/python-ihm/ihm/reader.py
+++ b/modules/core/dependency/python-ihm/ihm/reader.py
@@ -1056,7 +1056,7 @@ def __call__(self, id, entity_id, db_name, db_code, pdbx_db_accession,
         typ = self.type_map.get(db_name.lower())
         ref = self.sysr.references.get_by_id(id, typ)
         # Strip newlines if code is split over multiple lines
-        if pdbx_seq_one_letter_code is not None:
+        if pdbx_seq_one_letter_code not in (None, ihm.unknown):
             pdbx_seq_one_letter_code \
                 = pdbx_seq_one_letter_code.replace('\n', '')
         self.copy_if_present(
@@ -2285,7 +2285,19 @@ def _get_auth_seq_id_offset(self, asym):
 class _NonPolySchemeHandler(Handler):
     category = '_pdbx_nonpoly_scheme'
 
-    def __call__(self, asym_id, auth_seq_num):
+    def __call__(self, asym_id, entity_id, auth_seq_num, mon_id):
+        entity = self.sysr.entities.get_by_id(entity_id)
+        # nonpolymer entities generally have information on their chemical
+        # component in pdbx_entity_nonpoly, but if that's missing, at least
+        # get the name from mon_id here, so that we don't end up with an
+        # empty sequence
+        if len(entity.sequence) == 0 and mon_id:
+            if mon_id == 'HOH':
+                s = ihm.WaterChemComp()
+            else:
+                s = ihm.NonPolymerChemComp(
+                    mon_id, name=entity.description)
+            entity.sequence.append(s)
         asym = self.sysr.asym_units.get_by_id(asym_id)
         # todo: handle multiple instances (e.g. water)
         auth_seq_num = self.get_int_or_string(auth_seq_num)
diff --git a/modules/core/dependency/python-ihm/setup.py b/modules/core/dependency/python-ihm/setup.py
index 6ce69b2af6..4e37cd7fda 100755
--- a/modules/core/dependency/python-ihm/setup.py
+++ b/modules/core/dependency/python-ihm/setup.py
@@ -7,7 +7,7 @@
 import sys
 import os
 
-VERSION = "0.20"
+VERSION = "0.21"
 
 copy_args = sys.argv[1:]
 
diff --git a/modules/core/dependency/python-ihm/test/test_dumper.py b/modules/core/dependency/python-ihm/test/test_dumper.py
index 6d82ef1a7e..2ca7ff9b4c 100644
--- a/modules/core/dependency/python-ihm/test/test_dumper.py
+++ b/modules/core/dependency/python-ihm/test/test_dumper.py
@@ -127,7 +127,7 @@ def test_comment_dumper(self):
 """)
         # Comments should be ignored in BinaryCIF output
         out = _get_dumper_bcif_output(dumper, system)
-        self.assertEqual(out[b'dataBlocks'], [])
+        self.assertEqual(out[u'dataBlocks'], [])
 
     def test_software(self):
         """Test SoftwareDumper"""
@@ -2107,6 +2107,7 @@ def test_model_dumper_atoms(self):
         dumper = ihm.dumper._ModelDumper()
         dumper.finalize(system)  # assign model/group IDs
 
+        # With auth_seq_id == seq_id
         out = _get_dumper_output(dumper, system)
         self.assertEqual(out, """#
 loop_
@@ -2139,6 +2140,7 @@ def test_model_dumper_atoms(self):
 _atom_site.label_alt_id
 _atom_site.label_comp_id
 _atom_site.label_seq_id
+_atom_site.auth_seq_id
 _atom_site.label_asym_id
 _atom_site.Cartn_x
 _atom_site.Cartn_y
@@ -2149,9 +2151,9 @@ def test_model_dumper_atoms(self):
 _atom_site.B_iso_or_equiv
 _atom_site.pdbx_PDB_model_num
 _atom_site.ihm_model_id
-ATOM 1 C C . ALA 1 X 1.000 2.000 3.000 . 9 X . 1 1
-HETATM 2 C CA . ALA 1 X 10.000 20.000 30.000 . 9 X . 1 1
-ATOM 3 N N . CYS 2 X 4.000 5.000 6.000 0.200 9 X 42.000 1 1
+ATOM 1 C C . ALA 1 1 X 1.000 2.000 3.000 . 9 X . 1 1
+HETATM 2 C CA . ALA 1 1 X 10.000 20.000 30.000 . 9 X . 1 1
+ATOM 3 N N . CYS 2 2 X 4.000 5.000 6.000 0.200 9 X 42.000 1 1
 #
 #
 loop_
@@ -2160,6 +2162,21 @@ def test_model_dumper_atoms(self):
 N
 #
 """)
+        # With auth_seq_id == seq_id-1
+        asym.auth_seq_id_map = -1
+        out = _get_dumper_output(dumper, system)
+        self.assertEqual(
+            out.split('\n')[42:45:2],
+            ["ATOM 1 C C . ALA 1 0 X 1.000 2.000 3.000 . 9 X . 1 1",
+             "ATOM 3 N N . CYS 2 1 X 4.000 5.000 6.000 0.200 9 X 42.000 1 1"])
+
+        # With auth_seq_id map
+        asym.auth_seq_id_map = {1: 42, 2: 99}
+        out = _get_dumper_output(dumper, system)
+        self.assertEqual(
+            out.split('\n')[42:45:2],
+            ["ATOM 1 C C . ALA 1 42 X 1.000 2.000 3.000 . 9 X . 1 1",
+             "ATOM 3 N N . CYS 2 99 X 4.000 5.000 6.000 0.200 9 X 42.000 1 1"])
 
     def test_ensemble_dumper(self):
         """Test EnsembleDumper"""
diff --git a/modules/core/dependency/python-ihm/test/test_examples.py b/modules/core/dependency/python-ihm/test/test_examples.py
index 11bfe3f79e..38270e02b0 100644
--- a/modules/core/dependency/python-ihm/test/test_examples.py
+++ b/modules/core/dependency/python-ihm/test/test_examples.py
@@ -39,7 +39,7 @@ def test_simple_docking_example(self):
             # can read it
             with open(os.path.join(tmpdir, 'output.cif')) as fh:
                 contents = fh.readlines()
-            self.assertEqual(len(contents), 313)
+            self.assertEqual(len(contents), 314)
             with open(os.path.join(tmpdir, 'output.cif')) as fh:
                 s, = ihm.reader.read(fh)
 
@@ -95,6 +95,11 @@ def test_non_standard_residues_example(self):
             s, = ihm.reader.read(fh)
         os.unlink(out)
 
+    def test_stream_parser_example(self):
+        """Test stream_parser example"""
+        subprocess.check_call([sys.executable, "stream_parser.py"],
+                              cwd=get_example_dir())
+
 
 if __name__ == '__main__':
     unittest.main()
diff --git a/modules/core/dependency/python-ihm/test/test_format_bcif.py b/modules/core/dependency/python-ihm/test/test_format_bcif.py
index 23e947019a..90a3c1894a 100644
--- a/modules/core/dependency/python-ihm/test/test_format_bcif.py
+++ b/modules/core/dependency/python-ihm/test/test_format_bcif.py
@@ -14,11 +14,11 @@
 # generate real binary files
 class MockMsgPack(object):
     @staticmethod
-    def unpack(fh):
+    def unpack(fh, raw=False):
         return fh
 
     @staticmethod
-    def pack(data, fh):
+    def pack(data, fh, use_bin_type=True):
         fh.data = data
 
 
@@ -59,9 +59,9 @@ def _encode(rows):
             mask[i] = 2
     if need_mask:
         rows = ['' if r == '?' or r is None else r for r in rows]
-        mask = {b'data': ''.join(chr(i) for i in mask).encode('ascii'),
-                b'encoding': [{b'kind': b'ByteArray',
-                               b'type': ihm.format_bcif._Uint8}]}
+        mask = {u'data': ''.join(chr(i) for i in mask).encode('ascii'),
+                u'encoding': [{u'kind': u'ByteArray',
+                               u'type': ihm.format_bcif._Uint8}]}
     else:
         mask = None
     string_data = "".join(rows)
@@ -75,15 +75,15 @@ def _encode(rows):
     offsets = ''.join(chr(i) for i in offsets).encode('ascii')
     indices = ''.join(chr(i) for i in range(len(rows))).encode('ascii')
     string_array_encoding = {
-        b'kind': b'StringArray',
-        b'dataEncoding': [{b'kind': b'ByteArray',
-                           b'type': ihm.format_bcif._Uint8}],
-        b'stringData': string_data.encode('ascii'),
-        b'offsetEncoding': [{b'kind': b'ByteArray',
-                             b'type': ihm.format_bcif._Uint8}],
-        b'offsets': offsets}
-    d = {b'data': indices,
-         b'encoding': [string_array_encoding]}
+        u'kind': u'StringArray',
+        u'dataEncoding': [{u'kind': u'ByteArray',
+                           u'type': ihm.format_bcif._Uint8}],
+        u'stringData': string_data,
+        u'offsetEncoding': [{u'kind': u'ByteArray',
+                             u'type': ihm.format_bcif._Uint8}],
+        u'offsets': offsets}
+    d = {u'data': indices,
+         u'encoding': [string_array_encoding]}
     return d, mask
 
 
@@ -98,10 +98,10 @@ def get_bcif(self):
         for name, rows in self.data.items():
             nrows = len(rows)
             data, mask = _encode(rows)
-            cols.append({b'mask': mask, b'name': name.encode('ascii'),
-                         b'data': data})
-        return {b'name': self.name.encode('ascii'),
-                b'columns': cols, b'rowCount': nrows}
+            cols.append({u'mask': mask, u'name': name,
+                         u'data': data})
+        return {u'name': self.name,
+                u'columns': cols, u'rowCount': nrows}
 
 
 class Block(list):
@@ -109,17 +109,17 @@ class Block(list):
 
 
 def _make_bcif_file(blocks):
-    blocks = [{b'header': 'ihm',
-               b'categories': [c.get_bcif() for c in block]}
+    blocks = [{u'header': 'ihm',
+               u'categories': [c.get_bcif() for c in block]}
               for block in blocks]
-    return {b'version': '0.1', b'encoder': 'python-ihm test suite',
-            b'dataBlocks': blocks}
+    return {u'version': u'0.1', u'encoder': u'python-ihm test suite',
+            u'dataBlocks': blocks}
 
 
 class Tests(unittest.TestCase):
     def test_decode_bytes(self):
         """Test decode_bytes function"""
-        d = ihm.format_bcif._decode_bytes(b'foo')
+        d = ihm.format_bcif._decode_bytes(u'foo')
         self.assertEqual(d, 'foo')
 
     def test_decoder_base(self):
@@ -131,15 +131,15 @@ def test_decoder_base(self):
     def test_string_array_decoder(self):
         """Test StringArray decoder"""
         d = ihm.format_bcif._StringArrayDecoder()
-        self.assertEqual(d._kind, b'StringArray')
+        self.assertEqual(d._kind, u'StringArray')
 
         # Int8 is signed char (so FF is -1)
-        enc = {b'stringData': b'aAB',
-               b'dataEncoding': [{b'kind': b'ByteArray',
-                                  b'type': ihm.format_bcif._Int8}],
-               b'offsetEncoding': [{b'kind': b'ByteArray',
-                                    b'type': ihm.format_bcif._Int8}],
-               b'offsets': b'\x00\x01\x03'}
+        enc = {u'stringData': u'aAB',
+               u'dataEncoding': [{u'kind': u'ByteArray',
+                                  u'type': ihm.format_bcif._Int8}],
+               u'offsetEncoding': [{u'kind': u'ByteArray',
+                                    u'type': ihm.format_bcif._Int8}],
+               u'offsets': b'\x00\x01\x03'}
         data = b'\x00\x01\x00\xFF'
 
         data = d(enc, data)
@@ -148,83 +148,83 @@ def test_string_array_decoder(self):
     def test_byte_array_decoder(self):
         """Test ByteArray decoder"""
         d = ihm.format_bcif._ByteArrayDecoder()
-        self.assertEqual(d._kind, b'ByteArray')
+        self.assertEqual(d._kind, u'ByteArray')
 
         # type 1 (signed char)
-        data = d({b'type': ihm.format_bcif._Int8}, b'\x00\x01\xFF')
+        data = d({u'type': ihm.format_bcif._Int8}, b'\x00\x01\xFF')
         self.assertEqual(list(data), [0, 1, -1])
 
         # type 2 (signed short)
-        data = d({b'type': ihm.format_bcif._Int16}, b'\x00\x01\x01\xAC')
+        data = d({u'type': ihm.format_bcif._Int16}, b'\x00\x01\x01\xAC')
         self.assertEqual(list(data), [256, -21503])
 
         # type 3 (signed int)
-        data = d({b'type': ihm.format_bcif._Int32}, b'\x00\x01\x01\x05')
+        data = d({u'type': ihm.format_bcif._Int32}, b'\x00\x01\x01\x05')
         self.assertEqual(list(data), [83951872])
 
         # type 4 (unsigned char)
-        data = d({b'type': ihm.format_bcif._Uint8}, b'\x00\xFF')
+        data = d({u'type': ihm.format_bcif._Uint8}, b'\x00\xFF')
         self.assertEqual(list(data), [0, 255])
 
         # type 5 (unsigned short)
-        data = d({b'type': ihm.format_bcif._Uint16}, b'\x00\x01\x01\xAC')
+        data = d({u'type': ihm.format_bcif._Uint16}, b'\x00\x01\x01\xAC')
         self.assertEqual(list(data), [256, 44033])
 
         # type 6 (unsigned int)
-        data = d({b'type': ihm.format_bcif._Uint32}, b'\x00\x01\x01\xFF')
+        data = d({u'type': ihm.format_bcif._Uint32}, b'\x00\x01\x01\xFF')
         self.assertEqual(list(data), [4278255872])
 
         # type 32 (32-bit float)
-        data = d({b'type': ihm.format_bcif._Float32}, b'\x00\x00(B')
+        data = d({u'type': ihm.format_bcif._Float32}, b'\x00\x00(B')
         self.assertAlmostEqual(list(data)[0], 42.0, delta=0.1)
 
         # type 33 (64-bit float)
-        data = d({b'type': ihm.format_bcif._Float64},
+        data = d({u'type': ihm.format_bcif._Float64},
                  b'\x00\x00\x00\x00\x00\x00E@')
         self.assertAlmostEqual(list(data)[0], 42.0, delta=0.1)
 
     def test_integer_packing_decoder_signed(self):
         """Test IntegerPacking decoder with signed data"""
         d = ihm.format_bcif._IntegerPackingDecoder()
-        self.assertEqual(d._kind, b'IntegerPacking')
+        self.assertEqual(d._kind, u'IntegerPacking')
 
         # 1-byte data
-        data = d({b'isUnsigned': False, b'byteCount': 1},
+        data = d({u'isUnsigned': False, u'byteCount': 1},
                  [1, 2, -3, 127, 1, -128, -5])
         self.assertEqual(list(data), [1, 2, -3, 128, -133])
 
         # 2-byte data
-        data = d({b'isUnsigned': False, b'byteCount': 2},
+        data = d({u'isUnsigned': False, u'byteCount': 2},
                  [1, 2, -3, 32767, 1, -32768, -5])
         self.assertEqual(list(data), [1, 2, -3, 32768, -32773])
 
     def test_integer_packing_decoder_unsigned(self):
         """Test IntegerPacking decoder with unsigned data"""
         d = ihm.format_bcif._IntegerPackingDecoder()
-        self.assertEqual(d._kind, b'IntegerPacking')
+        self.assertEqual(d._kind, u'IntegerPacking')
 
         # 1-byte data
-        data = d({b'isUnsigned': True, b'byteCount': 1},
+        data = d({u'isUnsigned': True, u'byteCount': 1},
                  [1, 2, 3, 127, 1, 255, 1])
         self.assertEqual(list(data), [1, 2, 3, 127, 1, 256])
 
         # 2-byte data
-        data = d({b'isUnsigned': True, b'byteCount': 2},
+        data = d({u'isUnsigned': True, u'byteCount': 2},
                  [1, 2, 3, 32767, 1, 65535, 5])
         self.assertEqual(list(data), [1, 2, 3, 32767, 1, 65540])
 
     def test_delta_decoder(self):
         """Test Delta decoder"""
         d = ihm.format_bcif._DeltaDecoder()
-        self.assertEqual(d._kind, b'Delta')
+        self.assertEqual(d._kind, u'Delta')
 
-        data = d({b'origin': 1000}, [0, 3, 2, 1])
+        data = d({u'origin': 1000}, [0, 3, 2, 1])
         self.assertEqual(list(data), [1000, 1003, 1005, 1006])
 
     def test_run_length_decoder(self):
         """Test RunLength decoder"""
         d = ihm.format_bcif._RunLengthDecoder()
-        self.assertEqual(d._kind, b'RunLength')
+        self.assertEqual(d._kind, u'RunLength')
 
         data = d({}, [1, 3, 2, 1, 3, 2])
         self.assertEqual(list(data), [1, 1, 1, 2, 3, 3])
@@ -232,9 +232,9 @@ def test_run_length_decoder(self):
     def test_fixed_point_decoder(self):
         """Test FixedPoint decoder"""
         d = ihm.format_bcif._FixedPointDecoder()
-        self.assertEqual(d._kind, b'FixedPoint')
+        self.assertEqual(d._kind, u'FixedPoint')
 
-        data = list(d({b'factor': 100}, [120, 123, 12]))
+        data = list(d({u'factor': 100}, [120, 123, 12]))
         self.assertEqual(len(data), 3)
         self.assertAlmostEqual(data[0], 1.20, delta=0.01)
         self.assertAlmostEqual(data[1], 1.23, delta=0.01)
@@ -243,8 +243,8 @@ def test_fixed_point_decoder(self):
     def test_decode(self):
         """Test _decode function"""
         data = b'\x01\x03\x02\x01\x03\x02'
-        runlen = {b'kind': b'RunLength'}
-        bytearr = {b'kind': b'ByteArray', b'type': ihm.format_bcif._Int8}
+        runlen = {u'kind': u'RunLength'}
+        bytearr = {u'kind': u'ByteArray', u'type': ihm.format_bcif._Int8}
         data = ihm.format_bcif._decode(data, [runlen, bytearr])
         self.assertEqual(list(data), [1, 1, 1, 2, 3, 3])
 
@@ -380,44 +380,44 @@ def test_byte_array_encoder(self):
         # type 1 (signed char)
         data, encd = d([0, 1, -1])
         self.assertEqual(data, b'\x00\x01\xFF')
-        self.assertEqual(encd, {b'kind': b'ByteArray',
-                                b'type': ihm.format_bcif._Int8})
+        self.assertEqual(encd, {'kind': 'ByteArray',
+                                'type': ihm.format_bcif._Int8})
 
         # type 2 (signed short)
         data, encd = d([256, -21503])
         self.assertEqual(data, b'\x00\x01\x01\xAC')
-        self.assertEqual(encd, {b'kind': b'ByteArray',
-                                b'type': ihm.format_bcif._Int16})
+        self.assertEqual(encd, {'kind': 'ByteArray',
+                                'type': ihm.format_bcif._Int16})
 
         # type 3 (signed int)
         data, encd = d([-83951872])
         self.assertEqual(data, b'\x00\xff\xfe\xfa')
-        self.assertEqual(encd, {b'kind': b'ByteArray',
-                                b'type': ihm.format_bcif._Int32})
+        self.assertEqual(encd, {'kind': 'ByteArray',
+                                'type': ihm.format_bcif._Int32})
 
         # type 4 (unsigned char)
         data, encd = d([0, 255])
         self.assertEqual(data, b'\x00\xFF')
-        self.assertEqual(encd, {b'kind': b'ByteArray',
-                                b'type': ihm.format_bcif._Uint8})
+        self.assertEqual(encd, {'kind': 'ByteArray',
+                                'type': ihm.format_bcif._Uint8})
 
         # type 5 (unsigned short)
         data, encd = d([256, 44033])
         self.assertEqual(data, b'\x00\x01\x01\xAC')
-        self.assertEqual(encd, {b'kind': b'ByteArray',
-                                b'type': ihm.format_bcif._Uint16})
+        self.assertEqual(encd, {'kind': 'ByteArray',
+                                'type': ihm.format_bcif._Uint16})
 
         # type 6 (unsigned int)
         data, encd = d([4278255872])
         self.assertEqual(data, b'\x00\x01\x01\xFF')
-        self.assertEqual(encd, {b'kind': b'ByteArray',
-                                b'type': ihm.format_bcif._Uint32})
+        self.assertEqual(encd, {'kind': 'ByteArray',
+                                'type': ihm.format_bcif._Uint32})
 
         # type 32 (32-bit float)
         data, encd = d([42.0])
         self.assertEqual(len(data), 4)
-        self.assertEqual(encd, {b'kind': b'ByteArray',
-                                b'type': ihm.format_bcif._Float32})
+        self.assertEqual(encd, {'kind': 'ByteArray',
+                                'type': ihm.format_bcif._Float32})
 
         # Too-large ints should cause an error
         self.assertRaises(TypeError, d, [2**34])
@@ -437,8 +437,8 @@ def test_delta_encoder(self):
         data = [0, 1, -1] + [-1] * 40
         encdata, encdict = d(data)
         self.assertEqual(encdata, [0, 1, -2] + [0] * 40)
-        self.assertEqual(encdict, {b'origin': 0, b'kind': b'Delta',
-                                   b'srcType': ihm.format_bcif._Int8})
+        self.assertEqual(encdict, {'origin': 0, 'kind': 'Delta',
+                                   'srcType': ihm.format_bcif._Int8})
 
     def test_run_length_encoder(self):
         """Test RunLength encoder"""
@@ -460,8 +460,8 @@ def test_run_length_encoder(self):
         data = [0] * 30 + [1] * 40
         encdata, encdict = d(data)
         self.assertEqual(encdata, [0, 30, 1, 40])
-        self.assertEqual(encdict, {b'kind': b'RunLength', b'srcSize': 70,
-                                   b'srcType': ihm.format_bcif._Uint8})
+        self.assertEqual(encdict, {'kind': 'RunLength', 'srcSize': 70,
+                                   'srcType': ihm.format_bcif._Uint8})
 
     def test_encode(self):
         """Test _encode function"""
@@ -469,16 +469,16 @@ def test_encode(self):
         encoders = [ihm.format_bcif._ByteArrayEncoder()]
         encdata, encds = ihm.format_bcif._encode(data, encoders)
         self.assertEqual(encdata, b'\x01\x01\x01\x02\x03\x03')
-        self.assertEqual(encds, [{b'kind': b'ByteArray',
-                                  b'type': ihm.format_bcif._Uint8}])
+        self.assertEqual(encds, [{'kind': 'ByteArray',
+                                  'type': ihm.format_bcif._Uint8}])
 
         # DeltaEncoder will be a noop here since data is small
         encoders = [ihm.format_bcif._DeltaEncoder(),
                     ihm.format_bcif._ByteArrayEncoder()]
         encdata, encds = ihm.format_bcif._encode(data, encoders)
         self.assertEqual(encdata, b'\x01\x01\x01\x02\x03\x03')
-        self.assertEqual(encds, [{b'kind': b'ByteArray',
-                                  b'type': ihm.format_bcif._Uint8}])
+        self.assertEqual(encds, [{'kind': 'ByteArray',
+                                  'type': ihm.format_bcif._Uint8}])
 
     def test_mask_type_no_mask(self):
         """Test get_mask_and_type with no mask"""
@@ -564,14 +564,14 @@ def test_string_array_encoder_no_mask(self):
         indices, encs = d(['a', 'AB', 'a'], None)
         self.assertEqual(indices, b'\x00\x01\x00')
         enc, = encs
-        self.assertEqual(enc[b'dataEncoding'],
-                         [{b'kind': b'ByteArray',
-                           b'type': ihm.format_bcif._Uint8}])
-        self.assertEqual(enc[b'offsetEncoding'],
-                         [{b'kind': b'ByteArray',
-                           b'type': ihm.format_bcif._Uint8}])
-        self.assertEqual(enc[b'offsets'], b'\x00\x01\x03')
-        self.assertEqual(enc[b'stringData'], b'aAB')
+        self.assertEqual(enc['dataEncoding'],
+                         [{'kind': 'ByteArray',
+                           'type': ihm.format_bcif._Uint8}])
+        self.assertEqual(enc['offsetEncoding'],
+                         [{'kind': 'ByteArray',
+                           'type': ihm.format_bcif._Uint8}])
+        self.assertEqual(enc['offsets'], b'\x00\x01\x03')
+        self.assertEqual(enc['stringData'], 'aAB')
 
     def test_string_array_encoder_mask(self):
         """Test StringArray encoder with mask"""
@@ -584,22 +584,22 @@ def test_string_array_encoder_mask(self):
         # \xff is -1 (masked value) as a signed char (Int8)
         self.assertEqual(indices, b'\x00\x01\x02\xff\xff\x00\x03\x04\x05')
         enc, = encs
-        self.assertEqual(enc[b'dataEncoding'],
-                         [{b'kind': b'ByteArray',
-                           b'type': ihm.format_bcif._Int8}])
-        self.assertEqual(enc[b'offsetEncoding'],
-                         [{b'kind': b'ByteArray',
-                           b'type': ihm.format_bcif._Uint8}])
-        self.assertEqual(enc[b'offsets'], b'\x00\x01\x03\x06\x07\x08\t')
-        self.assertEqual(enc[b'stringData'], b'aABYES3.?')
+        self.assertEqual(enc['dataEncoding'],
+                         [{'kind': 'ByteArray',
+                           'type': ihm.format_bcif._Int8}])
+        self.assertEqual(enc['offsetEncoding'],
+                         [{'kind': 'ByteArray',
+                           'type': ihm.format_bcif._Uint8}])
+        self.assertEqual(enc['offsets'], b'\x00\x01\x03\x06\x07\x08\t')
+        self.assertEqual(enc['stringData'], 'aABYES3.?')
 
     def test_int_array_encoder_no_mask(self):
         """Test IntArray encoder with no mask"""
         d = ihm.format_bcif._IntArrayMaskedEncoder()
         data, encs = d([5, 7, 8], None)
         self.assertEqual(data, b'\x05\x07\x08')
-        self.assertEqual(encs, [{b'kind': b'ByteArray',
-                                 b'type': ihm.format_bcif._Uint8}])
+        self.assertEqual(encs, [{'kind': 'ByteArray',
+                                 'type': ihm.format_bcif._Uint8}])
 
     def test_int_array_encoder_mask(self):
         """Test IntArray encoder with mask"""
@@ -607,8 +607,8 @@ def test_int_array_encoder_mask(self):
         data, encs = d([5, 7, '?', 8, None], [0, 0, 2, 0, 1])
         # \xff is -1 (masked value) as a signed char (Int8)
         self.assertEqual(data, b'\x05\x07\xff\x08\xff')
-        self.assertEqual(encs, [{b'kind': b'ByteArray',
-                                 b'type': ihm.format_bcif._Int8}])
+        self.assertEqual(encs, [{'kind': 'ByteArray',
+                                 'type': ihm.format_bcif._Int8}])
 
     def test_float_array_encoder_no_mask(self):
         """Test FloatArray encoder with no mask"""
@@ -616,16 +616,16 @@ def test_float_array_encoder_no_mask(self):
         # int data should be coerced to float
         data, encs = d([5.0, 7.0, 8.0, 4], None)
         self.assertEqual(len(data), 4 * 4)
-        self.assertEqual(encs, [{b'kind': b'ByteArray',
-                                 b'type': ihm.format_bcif._Float32}])
+        self.assertEqual(encs, [{'kind': 'ByteArray',
+                                 'type': ihm.format_bcif._Float32}])
 
     def test_float_array_encoder_mask(self):
         """Test FloatArray encoder with mask"""
         d = ihm.format_bcif._FloatArrayMaskedEncoder()
         data, encs = d([5., 7., '?', 8., None], [0, 0, 2, 0, 1])
         self.assertEqual(len(data), 5 * 4)
-        self.assertEqual(encs, [{b'kind': b'ByteArray',
-                                 b'type': ihm.format_bcif._Float32}])
+        self.assertEqual(encs, [{'kind': 'ByteArray',
+                                 'type': ihm.format_bcif._Float32}])
 
     def test_category(self):
         """Test CategoryWriter class"""
@@ -636,15 +636,15 @@ def test_category(self):
         with writer.category('foo') as loc:
             loc.write(bar='baz')
         writer.flush()
-        block, = fh.data[b'dataBlocks']
-        category, = block[b'categories']
-        column, = category[b'columns']
-        self.assertEqual(block[b'header'], b'ihm')
-        self.assertEqual(category[b'name'], b'foo')
-        self.assertEqual(category[b'rowCount'], 1)
-        self.assertEqual(column[b'name'], b'bar')
-        self.assertEqual(column[b'data'][b'encoding'][0][b'stringData'],
-                         b'baz')
+        block, = fh.data['dataBlocks']
+        category, = block['categories']
+        column, = category['columns']
+        self.assertEqual(block['header'], 'ihm')
+        self.assertEqual(category['name'], 'foo')
+        self.assertEqual(category['rowCount'], 1)
+        self.assertEqual(column['name'], 'bar')
+        self.assertEqual(column['data']['encoding'][0]['stringData'],
+                         'baz')
 
     def test_empty_loop(self):
         """Test LoopWriter class with no values"""
@@ -655,7 +655,7 @@ def test_empty_loop(self):
         with writer.loop('foo', ["bar", "baz"]):
             pass
         writer.flush()
-        self.assertEqual(fh.data[b'dataBlocks'][0][b'categories'], [])
+        self.assertEqual(fh.data['dataBlocks'][0]['categories'], [])
 
     def test_loop(self):
         """Test LoopWriter class"""
@@ -671,14 +671,14 @@ def test_loop(self):
             lp.write(bar='?', baz='z')
             lp.write(baz='y')
         writer.flush()
-        block, = fh.data[b'dataBlocks']
-        category, = block[b'categories']
-        self.assertEqual(category[b'name'], b'foo')
-        self.assertEqual(category[b'rowCount'], 6)
-        cols = sorted(category[b'columns'], key=lambda x: x[b'name'])
+        block, = fh.data['dataBlocks']
+        category, = block['categories']
+        self.assertEqual(category['name'], 'foo')
+        self.assertEqual(category['rowCount'], 6)
+        cols = sorted(category['columns'], key=lambda x: x['name'])
         self.assertEqual(len(cols), 2)
         # Check mask for bar column; literal . and ? should not be masked (=0)
-        self.assertEqual(cols[0][b'mask'][b'data'],
+        self.assertEqual(cols[0]['mask']['data'],
                          b'\x00\x01\x02\x00\x00\x01')
 
 
diff --git a/modules/core/dependency/python-ihm/test/test_reader.py b/modules/core/dependency/python-ihm/test/test_reader.py
index e2b5f7836d..e6ae1f3720 100644
--- a/modules/core/dependency/python-ihm/test/test_reader.py
+++ b/modules/core/dependency/python-ihm/test/test_reader.py
@@ -623,6 +623,7 @@ def test_struct_ref_handler(self):
 'test sequence'
 2 1 MyDatabase testcode testacc 1 MEL 'other sequence'
 3 1 MyDatabase testcode2 testacc2 1 . 'other sequence'
+4 1 MyDatabase testcode3 testacc3 1 ? 'other sequence'
 #
 #
 loop_
@@ -653,7 +654,7 @@ def test_struct_ref_handler(self):
             for fh in cif_file_handles(cif):
                 s, = ihm.reader.read(fh)
                 e, = s.entities
-                r1, r2, r3 = e.references
+                r1, r2, r3, r4 = e.references
                 self.assertIsInstance(r1, ihm.reference.UniProtSequence)
                 self.assertEqual(r1.db_name, 'UNP')
                 self.assertEqual(r1.db_code, 'NUP84_YEAST')
@@ -661,6 +662,7 @@ def test_struct_ref_handler(self):
                 self.assertEqual(r1.sequence, 'MELSPTYQT')
                 self.assertEqual(r1.details, 'test sequence')
                 self.assertIsNone(r3.sequence)
+                self.assertEqual(r4.sequence, ihm.unknown)
                 a1, a2 = r1.alignments
                 self.assertEqual(a1.db_begin, 3)
                 self.assertEqual(a1.db_end, 6)
@@ -2384,7 +2386,9 @@ def test_nonpoly_scheme_handler(self):
 _entity.id
 _entity.type
 _entity.pdbx_description
-1 non-polymer 'CALCIUM ION'
+1 non-polymer 'CALCIUM ION entity'
+2 non-polymer 'no-chem-comp entity'
+3 water       'no-chem-comp water'
 #
 loop_
 _pdbx_entity_nonpoly.entity_id
@@ -2397,16 +2401,29 @@ def test_nonpoly_scheme_handler(self):
 _struct_asym.entity_id
 _struct_asym.details
 A 1 foo
+B 2 bar
+C 3 baz
 #
 loop_
 _pdbx_nonpoly_scheme.asym_id
 _pdbx_nonpoly_scheme.entity_id
+_pdbx_nonpoly_scheme.mon_id
 _pdbx_nonpoly_scheme.auth_seq_num
-A 1 1
-A 1 101
+A 1 FOO 1
+A 1 BAR 101
+B 2 BAR 1
+C 3 HOH 1
 """)
         s, = ihm.reader.read(fh)
-        asym, = s.asym_units
+        e1, e2, e3 = s.entities
+        # e1 should have sequence filled in by pdbx_entity_nonpoly
+        self.assertEqual([cc.name for cc in e1.sequence], ['CALCIUM ION'])
+        # e2,e3 should have sequence filled in by pdbx_nonpoly_scheme
+        self.assertEqual([(cc.id, cc.name) for cc in e2.sequence],
+                         [('BAR', 'no-chem-comp entity')])
+        self.assertEqual([(cc.id, cc.name) for cc in e3.sequence],
+                         [('HOH', 'WATER')])
+        asym, a2, a3 = s.asym_units
         # non-polymers have no seq_id_range
         self.assertEqual(asym.seq_id_range, (None, None))
         self.assertEqual(asym.auth_seq_id_map, {1: 101})

From 49731392f7322e11b88b15ac981d91a8e3962e6e Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 27 Jul 2021 11:42:25 -0700
Subject: [PATCH 064/250] Squashed 'modules/rmf/dependency/RMF/' changes from
 3895a7074a..a9b95e1fca

a9b95e1fca Use canonical URLs
666f9a5da5 Use C++17 mode with newer clang
0f300492b1 Ignore Mac junk
a2dfdc2d35 Switch to Codecov Action
1ec7b30142 Squashed 'cmake_modules/' changes from 6fb1fe51..c80a68d4

git-subtree-dir: modules/rmf/dependency/RMF
git-subtree-split: a9b95e1fcae70c499858bf119645215628d764bb
---
 .../RMF/.github/workflows/build.yml           |  8 ++--
 modules/rmf/dependency/RMF/.gitignore         |  1 +
 .../RMF/cmake_modules/FindRMF.cmake           | 44 +++++++++++++++++++
 .../RMF/cmake_modules/IMPFindC++11.cmake      | 13 ++++--
 modules/rmf/dependency/RMF/doc/Developers.md  |  4 +-
 modules/rmf/dependency/RMF/doc/FileFormat.md  |  4 +-
 modules/rmf/dependency/RMF/doc/Main.md        |  4 +-
 7 files changed, 65 insertions(+), 13 deletions(-)
 create mode 100644 modules/rmf/dependency/RMF/cmake_modules/FindRMF.cmake

diff --git a/modules/rmf/dependency/RMF/.github/workflows/build.yml b/modules/rmf/dependency/RMF/.github/workflows/build.yml
index afc9d9927b..a18d42367a 100644
--- a/modules/rmf/dependency/RMF/.github/workflows/build.yml
+++ b/modules/rmf/dependency/RMF/.github/workflows/build.yml
@@ -67,8 +67,8 @@ jobs:
         make -j 2
         export LD_PRELOAD=/lib/x86_64-linux-gnu/libSegFault.so
         ctest -j 2 --output-on-failure -L ${{ matrix.tests }}
-    - name: Upload coverage to codecov
+    - name: Combine coverage
       run: |
-        cd build
-        (cd coverage && coverage combine && mv .coverage ..)
-        bash <(curl -s https://codecov.io/bash)
+        cd build/coverage
+        coverage combine && mv .coverage ../..
+    - uses: codecov/codecov-action@v1
diff --git a/modules/rmf/dependency/RMF/.gitignore b/modules/rmf/dependency/RMF/.gitignore
index afc1f64bc4..448722b1d9 100644
--- a/modules/rmf/dependency/RMF/.gitignore
+++ b/modules/rmf/dependency/RMF/.gitignore
@@ -4,6 +4,7 @@
 # exclude patterns (uncomment them if you want to use them):
 # *.[oa]
 # *~
+.DS_Store
 *.os
 *.o
 *~
diff --git a/modules/rmf/dependency/RMF/cmake_modules/FindRMF.cmake b/modules/rmf/dependency/RMF/cmake_modules/FindRMF.cmake
new file mode 100644
index 0000000000..2c87be14b5
--- /dev/null
+++ b/modules/rmf/dependency/RMF/cmake_modules/FindRMF.cmake
@@ -0,0 +1,44 @@
+#[=======================================================================[.rst:
+FindRMF
+-------
+
+Try to find RMF
+
+Result Variables
+^^^^^^^^^^^^^^^^
+
+This module defines the following variables:
+
+``RMF_FOUND``
+  system has RMF
+``RMF_INCLUDE_PATH``
+  the RMF include directory
+``RMF_SWIG_PATH``
+  the directory containing SWIG (.i) files for RMF
+``RMF_LIBRARY``
+  Link this to use RMF
+``RMF_VERSION_STRING``
+  the version of RMF found
+
+
+#]=======================================================================]
+
+
+find_path(RMF_INCLUDE_PATH RMF.h PATH_SUFFIXES include)
+find_path(RMF_SWIG_PATH RMF.i PATH_SUFFIXES share/RMF/swig)
+if (NOT RMF_LIBRARY)
+  find_library(RMF_LIBRARY NAMES RMF PATH_SUFFIXES lib)
+endif()
+
+if (RMF_INCLUDE_PATH AND EXISTS "${RMF_INCLUDE_PATH}/RMF/config.h")
+  file(STRINGS "${RMF_INCLUDE_PATH}/RMF/config.h" RMF_MAJOR_H REGEX "#define RMF_VERSION_MAJOR +([0-9]+)")
+  file(STRINGS "${RMF_INCLUDE_PATH}/RMF/config.h" RMF_MINOR_H REGEX "#define RMF_VERSION_MINOR +([0-9]+)")
+  string(REGEX REPLACE " *#define RMF_VERSION_MAJOR +([0-9]+) *" "\\1" RMF_VERSION_MAJOR "${RMF_MAJOR_H}")
+  string(REGEX REPLACE " *#define RMF_VERSION_MINOR +([0-9]+) *" "\\1" RMF_VERSION_MINOR "${RMF_MINOR_H}")
+  set(RMF_VERSION_STRING "${RMF_VERSION_MAJOR}.${RMF_VERSION_MINOR}")
+endif()
+
+include(FindPackageHandleStandardArgs)
+find_package_handle_standard_args(RMF
+        REQUIRED_VARS RMF_LIBRARY RMF_INCLUDE_PATH RMF_SWIG_PATH
+        VERSION_VAR RMF_VERSION_STRING)
diff --git a/modules/rmf/dependency/RMF/cmake_modules/IMPFindC++11.cmake b/modules/rmf/dependency/RMF/cmake_modules/IMPFindC++11.cmake
index a60e41975a..509bec1a71 100644
--- a/modules/rmf/dependency/RMF/cmake_modules/IMPFindC++11.cmake
+++ b/modules/rmf/dependency/RMF/cmake_modules/IMPFindC++11.cmake
@@ -29,9 +29,16 @@ if(IMP_CXX11)
       set(IMP_CXX11_FLAGS "--std=c++0x" CACHE INTERNAL "" FORCE)
     endif()
   elseif("${CMAKE_CXX_COMPILER_ID}" MATCHES "Clang")
-    # Modern clang uses C++14 by default; don't force older C++11
-    if(APPLE AND DARWIN_VERSION GREATER 18)
-      message(STATUS "Using clang C++11 (or later) support")
+    execute_process(COMMAND ${CMAKE_CXX_COMPILER} --version
+                    OUTPUT_VARIABLE CLANG_VERSION)
+    if(CLANG_VERSION MATCHES "clang version ([0-9.]+)")
+      set(CLANG_VERSION ${CMAKE_MATCH_1})
+    endif()
+    message(STATUS "clang version: ${CLANG_VERSION}")
+    # Modern clang (6 or later) uses C++14 by default; don't force older C++11
+    if(CLANG_VERSION VERSION_GREATER 6.0)
+      message(STATUS "Enabling clang C++17 support")
+      set(IMP_CXX11_FLAGS "--std=c++17" CACHE INTERNAL "" FORCE)
     # c++11's std::move (which boost/CGAL use) doesn't work until
     # OS X 10.9 (Darwin version 13)
     elseif(APPLE AND DARWIN_VERSION LESS 13)
diff --git a/modules/rmf/dependency/RMF/doc/Developers.md b/modules/rmf/dependency/RMF/doc/Developers.md
index d2e910387c..4313531f79 100644
--- a/modules/rmf/dependency/RMF/doc/Developers.md
+++ b/modules/rmf/dependency/RMF/doc/Developers.md
@@ -9,11 +9,11 @@ This page documents various internal aspects of how the RMF library works and is
 
 # Developer tools # {#dev_tools}
 
-RMF uses the [Salilab developer tools](http://www.github.com/salilab/developer_tools) to provide basic developer tools in a way that is shared with [IMP](http://integrativemodeling.org). This is included as a subrepository. Read the docs of that repository for more information.
+RMF uses the [Salilab developer tools](https://github.com/salilab/developer_tools) to provide basic developer tools in a way that is shared with [IMP](https://integrativemodeling.org). This is included as a subrepository. Read the docs of that repository for more information.
 
 # CMake tools # {#cmake_tools}
 
-RMF uses [Salilab cmake modules](http://www.github.com/salilab/cmake_modules) to provide some extensions to [CMake](http://cmake.org). This is included as a subrepository.
+RMF uses [Salilab cmake modules](https://github.com/salilab/cmake_modules) to provide some extensions to [CMake](https://cmake.org). This is included as a subrepository.
 
 # Decorators # {#makedecorators}
 
diff --git a/modules/rmf/dependency/RMF/doc/FileFormat.md b/modules/rmf/dependency/RMF/doc/FileFormat.md
index 666938c3d6..c1983f959b 100644
--- a/modules/rmf/dependency/RMF/doc/FileFormat.md
+++ b/modules/rmf/dependency/RMF/doc/FileFormat.md
@@ -169,7 +169,7 @@ nodes.
 
 When adding data to an %RMF file that is just to be used for internal
 consumption, one should create a new category. For example,
-[IMP](http://www.integrativemodeling.org) defines an ''imp'' category
+[IMP](https://integrativemodeling.org) defines an ''imp'' category
 when arbitrary particle data are stored.
 
 If, instead, the data is likely to be a general interest, it probably
@@ -183,7 +183,7 @@ methods are supported: files with suffix `.rmf` and `.rmfz` and buffers
 in memory.
 
 The current format stores the structure in an [Avro Object
-Container](http://avro.apache.org/docs/1.7.5/spec.html#Object+Container+Files). If
+Container](https://avro.apache.org/docs/1.7.5/spec.html#Object+Container+Files). If
 the `.rmfz` suffix is used, the contents are compressed. The structure
 is stored as a series of records, each containing either a frame or
 static data (there can be multiple static data frames - they are
diff --git a/modules/rmf/dependency/RMF/doc/Main.md b/modules/rmf/dependency/RMF/doc/Main.md
index 27ff74dd20..ebdf721ef5 100644
--- a/modules/rmf/dependency/RMF/doc/Main.md
+++ b/modules/rmf/dependency/RMF/doc/Main.md
@@ -7,7 +7,7 @@ and score data.
 
 The RMF source code is available [on github](https://github.com/salilab/rmf/).
 It can be built standalone, although it is generally used as part of
-[IMP](http://integrativemodeling.org).
+[IMP](https://integrativemodeling.org).
 
 See
 - [Installation](\ref installation) for information on obtaining and installing RMF.
@@ -25,4 +25,4 @@ Licensed under the Apache License, Version 2.0 (the "License");
 you may not use this file except in compliance with the License.
 You may obtain a copy of the License at
 
-    http://www.apache.org/licenses/LICENSE-2.0
+    https://www.apache.org/licenses/LICENSE-2.0

From 64bdf3cd6da61ddc8df779ed295f21dc504f159f Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 27 Jul 2021 11:45:34 -0700
Subject: [PATCH 065/250] Use canonical URLs for CMake and Python

---
 doc/manual/code_conventions.md | 2 +-
 doc/manual/install_windows.md  | 4 ++--
 doc/manual/uselibrary.md       | 2 +-
 3 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/doc/manual/code_conventions.md b/doc/manual/code_conventions.md
index b8fc5f441a..7a8de0379c 100644
--- a/doc/manual/code_conventions.md
+++ b/doc/manual/code_conventions.md
@@ -18,7 +18,7 @@ tabs. [cleanup_code.py](\ref dev_tools_cleanup_code) can help you do this format
 automatically.
 
 All Python code should conform to the [Python style
-guide](http://www.python.org/dev/peps/pep-0008/).  In essence this
+guide](https://www.python.org/dev/peps/pep-0008/).  In essence this
 translates to 4-space indents, no tabs, and similar class, method and
 variable naming to the C++ code. You can check that your Python code
 is correctly formatted using the [flake8](https://pypi.org/project/flake8/)
diff --git a/doc/manual/install_windows.md b/doc/manual/install_windows.md
index b480acdaef..d71e389a0b 100644
--- a/doc/manual/install_windows.md
+++ b/doc/manual/install_windows.md
@@ -43,8 +43,8 @@ we employed is as follows:
 
   - Install Microsoft Visual Studio Express (it is free, but registration with
     Microsoft is required).
-  - Get and install [cmake](http://www.cmake.org).
-  - Get [Python](http://www.python.org)
+  - Get and install [cmake](https://cmake.org).
+  - Get [Python](https://www.python.org)
     (make sure you get the
     32-bit version if you're going to build %IMP for 32-bit Windows).
   - Get and install the
diff --git a/doc/manual/uselibrary.md b/doc/manual/uselibrary.md
index 5ca36e7cf3..5e690088b3 100644
--- a/doc/manual/uselibrary.md
+++ b/doc/manual/uselibrary.md
@@ -2,7 +2,7 @@ Using the library in other projects {#uselibrary}
 ===================================
 
 The %IMP C++ library can be used in other projects. When %IMP is built or
-installed, it creates a [CMake](https://cmake.org/) file called
+installed, it creates a [CMake](https://cmake.org) file called
 `IMPConfig.cmake` which contains information about how %IMP was configured
 and where all the parts of %IMP can be found. This can be used to easily
 add %IMP as a dependency to other C++ projects using CMake.

From f16653296ba1f09a54efcd52a4562595def1ac66 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 27 Jul 2021 14:13:07 -0700
Subject: [PATCH 066/250] Enable numpy for out-of-tree builds

Add the numpy directory to the include path
if NumPy was found so that out-of-tree modules
that use NumPy can find it at compile time.
---
 tools/cmake/UseIMP.cmake | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/tools/cmake/UseIMP.cmake b/tools/cmake/UseIMP.cmake
index 9e91dc2c61..1054794241 100644
--- a/tools/cmake/UseIMP.cmake
+++ b/tools/cmake/UseIMP.cmake
@@ -47,6 +47,10 @@ function(imp_build_module sourcedir)
     set(IMP_SWIG_LIBRARIES ${PYTHON_LIBRARIES})
   endif(WIN32)
 
+  if(PYTHON_NUMPY_FOUND)
+    include_directories(SYSTEM ${PYTHON_NUMPY_INCLUDE_DIR})
+  endif()
+
   include(GNUInstallDirs)
   # Add extra installation locations for SWIG .i files and Python code
   # As per GNUInstallDirs.cmake, set empty values in the cache and store

From 12fda100031983d2a1e6177aab210c7ef4e1719f Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 27 Jul 2021 15:35:28 -0700
Subject: [PATCH 067/250] Get latest PMI1

---
 modules/pmi1 | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/pmi1 b/modules/pmi1
index d83be4701b..1cc47b9c3a 160000
--- a/modules/pmi1
+++ b/modules/pmi1
@@ -1 +1 @@
-Subproject commit d83be4701b496c6abe16e3ece58e5e38b661701f
+Subproject commit 1cc47b9c3a2f61a1984ab435f1544ccb1a891695

From 4ed30d87e92cc80dd73eda8d759f1d66bf97d906 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 27 Jul 2021 15:35:52 -0700
Subject: [PATCH 068/250] Squashed 'modules/pmi/' changes from
 1e95380381..e45d5f9489

e45d5f9489 Update to match latest python-ihm

git-subtree-dir: modules/pmi
git-subtree-split: e45d5f948951094ef613b1b9d8566c17f0cdc02c
---
 modules/pmi/test/test_mmcif.py      | 5 +++--
 modules/pmi/test/test_mmcif_pmi2.py | 6 +++---
 2 files changed, 6 insertions(+), 5 deletions(-)

diff --git a/modules/pmi/test/test_mmcif.py b/modules/pmi/test/test_mmcif.py
index df80f0c08b..9bd92311a8 100644
--- a/modules/pmi/test/test_mmcif.py
+++ b/modules/pmi/test/test_mmcif.py
@@ -492,6 +492,7 @@ def test_model_dumper_atom(self):
 _atom_site.label_alt_id
 _atom_site.label_comp_id
 _atom_site.label_seq_id
+_atom_site.auth_seq_id
 _atom_site.label_asym_id
 _atom_site.Cartn_x
 _atom_site.Cartn_y
@@ -502,8 +503,8 @@ def test_model_dumper_atom(self):
 _atom_site.B_iso_or_equiv
 _atom_site.pdbx_PDB_model_num
 _atom_site.ihm_model_id
-ATOM 1 . CA . MET 1 A -8.986 11.688 -5.817 . 1 A . 1 1
-ATOM 2 . CA . GLU 2 A -8.986 11.688 -5.817 . 1 A . 1 1
+ATOM 1 . CA . MET 1 1 A -8.986 11.688 -5.817 . 1 A . 1 1
+ATOM 2 . CA . GLU 2 2 A -8.986 11.688 -5.817 . 1 A . 1 1
 #
 #
 loop_
diff --git a/modules/pmi/test/test_mmcif_pmi2.py b/modules/pmi/test/test_mmcif_pmi2.py
index 26d7ce3418..9e36199105 100644
--- a/modules/pmi/test/test_mmcif_pmi2.py
+++ b/modules/pmi/test/test_mmcif_pmi2.py
@@ -13,7 +13,7 @@
 
 class MockMsgPack(object):
     @staticmethod
-    def pack(data, fh):
+    def pack(data, fh, use_bin_type=True):
         fh.data = data
 
 
@@ -105,8 +105,8 @@ def test_finalize_write_bcif(self):
         po.finalize()
         fh = MockFh()
         ihm.dumper.write(fh, [po.system], format='BCIF')
-        self.assertEqual(fh.data[b'dataBlocks'][0][b'categories'][0][b'name'],
-                         b'_entry')
+        self.assertEqual(fh.data['dataBlocks'][0]['categories'][0]['name'],
+                         '_entry')
 
     def test_entity(self):
         """Test EntityDump with PMI2-style init"""

From bea6e3bf058ff007a440af82642c365a99bde7b5 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 29 Jul 2021 20:03:01 -0700
Subject: [PATCH 069/250] Get latest IMP.sampcon

---
 modules/sampcon | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/sampcon b/modules/sampcon
index 3f4140d695..a692511a76 160000
--- a/modules/sampcon
+++ b/modules/sampcon
@@ -1 +1 @@
-Subproject commit 3f4140d6950f4a55cbe0b264ec249257a4054397
+Subproject commit a692511a76b742b3cfee6afaa46c4f196f17da76

From f8f7ed19623cd9282a9538bc368f3498d4bea65c Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 30 Jul 2021 14:16:59 -0700
Subject: [PATCH 070/250] Only check indices for real Atoms

Check that a particle really is an Atom
before we try to get the atom index, since
the hierarchy may contain fragments and
other non-atomic structure.
---
 modules/atom/src/internal/pdb.cpp | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/modules/atom/src/internal/pdb.cpp b/modules/atom/src/internal/pdb.cpp
index c2f55b4234..c1e696eebf 100644
--- a/modules/atom/src/internal/pdb.cpp
+++ b/modules/atom/src/internal/pdb.cpp
@@ -227,7 +227,8 @@ void write_pdb(const ParticlesTemp& ps, TextOutput out) {
   int last_index = 0;
   bool use_input_index = true;
   for (unsigned int i = 0; i < ps.size(); ++i) {
-    if (Atom(ps[i]).get_input_index() != last_index + 1) {
+    if (Atom::get_is_setup(ps[i])
+        && Atom(ps[i]).get_input_index() != last_index + 1) {
       use_input_index = false;
       break;
     } else {

From 54534afee3e2128cce95e6d100e91bd0c539c2f3 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 30 Jul 2021 14:18:11 -0700
Subject: [PATCH 071/250] Get latest IMP.sampcon

---
 modules/sampcon | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/sampcon b/modules/sampcon
index a692511a76..0a2daca4de 160000
--- a/modules/sampcon
+++ b/modules/sampcon
@@ -1 +1 @@
-Subproject commit a692511a76b742b3cfee6afaa46c4f196f17da76
+Subproject commit 0a2daca4de2d2107d3c0ee22617a4dc08e4aa5d4

From a1db0c53f07d43d3a245c155c1aa4c8f8fbe2509 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 30 Jul 2021 17:36:12 -0700
Subject: [PATCH 072/250] Output Ints/Floats to Python as numpy arrays

If we have numpy support, copy any Ints/Floats
arrays directly to numpy array objects rather
than a Python list.
---
 .../include/internal/swig_helpers_base.h      | 28 +++++++++++++++++++
 modules/kernel/test/test_attributes.py        | 13 ++++++---
 2 files changed, 37 insertions(+), 4 deletions(-)

diff --git a/modules/kernel/include/internal/swig_helpers_base.h b/modules/kernel/include/internal/swig_helpers_base.h
index ae1b4ace05..c2e396f8b7 100644
--- a/modules/kernel/include/internal/swig_helpers_base.h
+++ b/modules/kernel/include/internal/swig_helpers_base.h
@@ -545,6 +545,20 @@ struct ConvertSequence<Ints, ConvertT> : public ConvertVectorBase<
                                   particle_st, decorator_st);
     }
   }
+
+  template <class SwigData>
+  static PyObject* create_python_object(const Ints& t, SwigData st, int OWN) {
+    if (numpy_import_retval == 0) {
+      npy_intp dims[2];
+      dims[0] = t.size();
+      PyReceivePointer ret(PyArray_SimpleNew(1, dims, NPY_INT));
+      PyObject *obj = ret;
+      memcpy(PyArray_DATA(obj), &t[0], t.size() * sizeof(int));
+      return ret.release();
+    } else {
+      return Base::create_python_object(t, st, OWN);
+    }
+  }
 };
 
 template <class ConvertT>
@@ -574,6 +588,20 @@ struct ConvertSequence<Floats, ConvertT> : public ConvertVectorBase<
                                   particle_st, decorator_st);
     }
   }
+
+  template <class SwigData>
+  static PyObject* create_python_object(const Floats& t, SwigData st, int OWN) {
+    if (numpy_import_retval == 0) {
+      npy_intp dims[2];
+      dims[0] = t.size();
+      PyReceivePointer ret(PyArray_SimpleNew(1, dims, NPY_DOUBLE));
+      PyObject *obj = ret;
+      memcpy(PyArray_DATA(obj), &t[0], t.size() * sizeof(double));
+      return ret.release();
+    } else {
+      return Base::create_python_object(t, st, OWN);
+    }
+  }
 };
 #endif
 
diff --git a/modules/kernel/test/test_attributes.py b/modules/kernel/test/test_attributes.py
index 663965a7b7..ebfb737419 100644
--- a/modules/kernel/test/test_attributes.py
+++ b/modules/kernel/test/test_attributes.py
@@ -2,6 +2,7 @@
 import IMP.test
 if IMP.IMP_KERNEL_HAS_NUMPY:
     import numpy
+    import numpy.testing
 
 
 xkey = IMP.FloatKey("x")
@@ -51,7 +52,7 @@ def test_intlike(self):
 
     @IMP.test.skipIf(not IMP.IMP_KERNEL_HAS_NUMPY, "No numpy support")
     def test_numpy_int(self):
-        """Test using numpy arrays as input for Ints attributes"""
+        """Test using numpy arrays as input/output for Ints attributes"""
         m = IMP.Model()
         p = IMP.Particle(m)
         isk = IMP.IntsKey("hi")
@@ -62,11 +63,13 @@ def test_numpy_int(self):
         for dtype in (numpy.int32, numpy.int64):
             n = numpy.array([1,2,3,4,5,6], dtype=dtype)
             p.set_value(isk, n)
-            self.assertEqual(p.get_value(isk), [1,2,3,4,5,6])
+            val = p.get_value(isk)
+            self.assertIsInstance(val, numpy.ndarray)
+            numpy.testing.assert_array_equal(val, [1,2,3,4,5,6])
 
     @IMP.test.skipIf(not IMP.IMP_KERNEL_HAS_NUMPY, "No numpy support")
     def test_numpy_float(self):
-        """Test using numpy arrays as input for Floats attributes"""
+        """Test using numpy arrays as input/output for Floats attributes"""
         m = IMP.Model()
         p = IMP.Particle(m)
         fsk = IMP.FloatsKey("hi")
@@ -77,7 +80,9 @@ def test_numpy_float(self):
         for dtype in (numpy.float32, numpy.float64):
             n = numpy.array([1.,2.,3.,4.,5.,6.], dtype=dtype)
             p.set_value(fsk, n)
-            self.assertEqual(p.get_value(fsk), [1.,2.,3.,4.,5.,6.])
+            val = p.get_value(fsk)
+            self.assertIsInstance(val, numpy.ndarray)
+            numpy.testing.assert_allclose(val, [1.,2.,3.,4.,5.,6.])
 
 
 if __name__ == '__main__':

From 3c4257a5d5622f8783dec71589ddda07a5edd7ce Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Sat, 31 Jul 2021 11:10:24 -0700
Subject: [PATCH 073/250] Handle zero-size arrays

Don't try to copy IMP data to numpy if the
array has zero size, since a) this is a noop
and b) the address of the first array element
is undefined.
---
 modules/kernel/include/internal/swig_helpers_base.h | 12 ++++++++----
 1 file changed, 8 insertions(+), 4 deletions(-)

diff --git a/modules/kernel/include/internal/swig_helpers_base.h b/modules/kernel/include/internal/swig_helpers_base.h
index c2e396f8b7..5648d1dcdb 100644
--- a/modules/kernel/include/internal/swig_helpers_base.h
+++ b/modules/kernel/include/internal/swig_helpers_base.h
@@ -552,8 +552,10 @@ struct ConvertSequence<Ints, ConvertT> : public ConvertVectorBase<
       npy_intp dims[2];
       dims[0] = t.size();
       PyReceivePointer ret(PyArray_SimpleNew(1, dims, NPY_INT));
-      PyObject *obj = ret;
-      memcpy(PyArray_DATA(obj), &t[0], t.size() * sizeof(int));
+      if (t.size() > 0) {
+        PyObject *obj = ret;
+        memcpy(PyArray_DATA(obj), &t[0], t.size() * sizeof(int));
+      }
       return ret.release();
     } else {
       return Base::create_python_object(t, st, OWN);
@@ -595,8 +597,10 @@ struct ConvertSequence<Floats, ConvertT> : public ConvertVectorBase<
       npy_intp dims[2];
       dims[0] = t.size();
       PyReceivePointer ret(PyArray_SimpleNew(1, dims, NPY_DOUBLE));
-      PyObject *obj = ret;
-      memcpy(PyArray_DATA(obj), &t[0], t.size() * sizeof(double));
+      if (t.size() > 0) {
+        PyObject *obj = ret;
+        memcpy(PyArray_DATA(obj), &t[0], t.size() * sizeof(double));
+      }
       return ret.release();
     } else {
       return Base::create_python_object(t, st, OWN);

From 102b6e86beb9eb689e79ddd11adfffdf250dfb6f Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Sat, 31 Jul 2021 11:09:07 -0700
Subject: [PATCH 074/250] Get latest PMI1

---
 modules/pmi1 | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/pmi1 b/modules/pmi1
index 1cc47b9c3a..9c53829e65 160000
--- a/modules/pmi1
+++ b/modules/pmi1
@@ -1 +1 @@
-Subproject commit 1cc47b9c3a2f61a1984ab435f1544ccb1a891695
+Subproject commit 9c53829e6594acff2f7a7d452a589057c7c0caee

From 7c510b2b538979c2c6f55bf6edb732e3cfe81c89 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Sat, 31 Jul 2021 11:11:40 -0700
Subject: [PATCH 075/250] Handle returned numpy arrays

Some arrays from C++ that used to be plain
Python arrays are now numpy arrays instead,
which behave slightly differently in some cases.
---
 modules/atom/test/test_representation.py           | 3 ++-
 modules/core/test/test_rigid_body_tunneler.py      | 2 +-
 modules/domino/test/test_ints_list.py              | 2 +-
 modules/domino/test/test_write_merge_tree.py       | 4 ++--
 modules/em2d/test/test_clustering_of_models.py     | 4 ++--
 modules/kernel/test/test_base_typemaps.py          | 5 +++--
 modules/kernel/test/test_config_set.py             | 4 ++--
 modules/kernel/test/test_restraint_info.py         | 2 +-
 modules/multifit/test/test_read_proteomics_data.py | 4 ++--
 9 files changed, 16 insertions(+), 14 deletions(-)

diff --git a/modules/atom/test/test_representation.py b/modules/atom/test/test_representation.py
index 7ddfd0068d..0e6b54a109 100644
--- a/modules/atom/test/test_representation.py
+++ b/modules/atom/test/test_representation.py
@@ -112,7 +112,8 @@ def test_named_representation(self):
         self.assertEqual(IMP.atom.Fragment(sel1.get_selected_particles()[0]).get_residue_indexes(),
                          [432])
         sel10 = IMP.atom.Selection(root,resolution=10,residue_index=432)
-        self.assertEqual(IMP.atom.Fragment(sel10.get_selected_particles()[0]).get_residue_indexes(),
+        f = IMP.atom.Fragment(sel10.get_selected_particles()[0])
+        self.assertEqual(list(f.get_residue_indexes()),
                          list(range(432,442)))
 
     def test_rep_1and10(self):
diff --git a/modules/core/test/test_rigid_body_tunneler.py b/modules/core/test/test_rigid_body_tunneler.py
index c1a79e83f5..1ba362dc63 100644
--- a/modules/core/test/test_rigid_body_tunneler.py
+++ b/modules/core/test/test_rigid_body_tunneler.py
@@ -223,7 +223,7 @@ def test_entry_translation2(self):
         self.rbori.add_entry_point(entry2)
         self.rbori.propose()
         coords = self.rbori.get_reduced_coordinates(self.m, self.iref)
-        expected = array([-1, 5, 0] + oldcoords[3:])
+        expected = array([-1, 5, 0] + list(oldcoords[3:]))
         self.assertTrue(allclose(expected, coords))
         self.rbori.reject()
         coords = self.rbori.get_reduced_coordinates(self.m, self.iref)
diff --git a/modules/domino/test/test_ints_list.py b/modules/domino/test/test_ints_list.py
index 2873e1cbb2..bc34318a32 100644
--- a/modules/domino/test/test_ints_list.py
+++ b/modules/domino/test/test_ints_list.py
@@ -11,7 +11,7 @@ def test_global_min2(self):
         """Test proper ints list"""
         iin = [[0, 1, 2, 3], [4, 5, 6, 7, 8]]
         out = IMP.domino._get_ints_list(iin)
-        self.assertEqual(iin, out)
+        self.assertEqual(iin, [list(x) for x in out])
 
 if __name__ == '__main__':
     IMP.test.main()
diff --git a/modules/domino/test/test_write_merge_tree.py b/modules/domino/test/test_write_merge_tree.py
index 4404e6c913..8f6cf9a633 100644
--- a/modules/domino/test/test_write_merge_tree.py
+++ b/modules/domino/test/test_write_merge_tree.py
@@ -32,8 +32,8 @@ def test_global_min0(self):
             ps)
         # IMP.show_graphviz(mbt)
         # IMP.show_graphviz(mbt2)
-        self.assertEqual(mbt2.get_vertices(),
-                         mbt.get_vertices())
+        self.assertEqual(list(mbt2.get_vertices()),
+                         list(mbt.get_vertices()))
         self.assertEqual(mbt2.get_vertex_name(0),
                          mbt.get_vertex_name(0))
 if __name__ == '__main__':
diff --git a/modules/em2d/test/test_clustering_of_models.py b/modules/em2d/test/test_clustering_of_models.py
index 33f2f88914..75d3e76ca5 100644
--- a/modules/em2d/test/test_clustering_of_models.py
+++ b/modules/em2d/test/test_clustering_of_models.py
@@ -102,7 +102,7 @@ def test_cluster_of_models(self):
         # get clusters with distances below 1.4
         rmsd_cutoff = 1.4
         complete_cls = cluster_set.get_clusters_below_cutoff(rmsd_cutoff)
-        complete_cls_elems = [cluster_set.get_cluster_elements(c)
+        complete_cls_elems = [list(cluster_set.get_cluster_elements(c))
                               for c in complete_cls]
 
 #        print "Average distance Linkage Matrix"
@@ -136,7 +136,7 @@ def test_cluster_of_models(self):
         # check cluster elements
 #        print "complete_cls",complete_cls
 #        print "complete_cls_elems",complete_cls_elems
-        self.assertEqual(complete_cls, [10, 9],
+        self.assertEqual(list(complete_cls), [10, 9],
                          "Clusters below 1.4 rmsd are not equal")
         self.assertEqual(complete_cls_elems, [[2, 3], [0, 4, 1]],
                          "Clusters below 1.4 rmsd are not equal")
diff --git a/modules/kernel/test/test_base_typemaps.py b/modules/kernel/test/test_base_typemaps.py
index 787c67c919..1e0a860a7f 100644
--- a/modules/kernel/test/test_base_typemaps.py
+++ b/modules/kernel/test/test_base_typemaps.py
@@ -39,13 +39,14 @@ def test_bl(self):
         """Check ints list typemaps"""
         vs = [[1, 2, 3, 4], [5, 6, 7, 8]]
         vso = IMP._pass_ints_list(vs)
-        self._equal_lists(vs, vso)
+        self._equal_lists(vs, [list(x) for x in vso])
 
     def test_bls(self):
         """Check ints lists typemaps"""
         vs = [[[1, 2], [3, 4]], [[5, 6], [7, 8]]]
         vso = IMP._pass_ints_lists(vs)
-        self._equal_lists(vs, vso)
+        print("bw",vso)
+        self._equal_lists(vs, [[list(x) for x in y] for y in vso])
 
     def test_intpairs(self):
         """Check int pairs typemap"""
diff --git a/modules/kernel/test/test_config_set.py b/modules/kernel/test/test_config_set.py
index 60782d44ca..8cf7de32a6 100644
--- a/modules/kernel/test/test_config_set.py
+++ b/modules/kernel/test/test_config_set.py
@@ -47,10 +47,10 @@ def _add_attributes(self, p, n, op):
     def _test_base(self, p, n, op):
         print("testing")
         self.assertEqual(p.get_value(fk0), n)
-        self.assertEqual(p.get_value(fsk0), [n, 2.0 * n, 3.0 * n])
+        self.assertEqual(list(p.get_value(fsk0)), [n, 2.0 * n, 3.0 * n])
         self.assertEqual(p.get_value(fk1), n + 1)
         self.assertEqual(p.get_value(ik0), 100 * n)
-        self.assertEqual(p.get_value(isk0), [1 * n, 2 * n, 3 * n])
+        self.assertEqual(list(p.get_value(isk0)), [1 * n, 2 * n, 3 * n])
         self.assertEqual(p.get_value(ik1), 100 * n + 1)
         self.assertEqual(p.get_value(sk0), str(100 * n))
         self.assertEqual(p.get_value(sk1), str(100 * n + 1))
diff --git a/modules/kernel/test/test_restraint_info.py b/modules/kernel/test/test_restraint_info.py
index 2233995e16..81a80d4d79 100644
--- a/modules/kernel/test/test_restraint_info.py
+++ b/modules/kernel/test/test_restraint_info.py
@@ -69,7 +69,7 @@ def test_ints(self):
         self.assertEqual(ri.get_number_of_ints(), 1)
         self.assertEqual(ri.get_ints_key(0), "test ints")
         v = ri.get_ints_value(0)
-        self.assertEqual(v, [42, 100])
+        self.assertEqual(list(v), [42, 100])
 
     def test_strings(self):
         """Test get/set of strings RestraintInfo"""
diff --git a/modules/multifit/test/test_read_proteomics_data.py b/modules/multifit/test/test_read_proteomics_data.py
index 4c23252c32..eed7f3ec51 100644
--- a/modules/multifit/test/test_read_proteomics_data.py
+++ b/modules/multifit/test/test_read_proteomics_data.py
@@ -24,8 +24,8 @@ def test_run(self):
         self.assertEqual(prot_data.get_num_allowed_violated_cross_links(), 3)
         self.assertEqual(prot_data.get_num_allowed_violated_ev(), 2)
 
-        self.assertEqual(prot_data.get_interaction(0), [0, 1])
-        self.assertEqual(prot_data.get_interaction(1), [0, 1, 2])
+        self.assertEqual(list(prot_data.get_interaction(0)), [0, 1])
+        self.assertEqual(list(prot_data.get_interaction(1)), [0, 1, 2])
         self.assertEqual(prot_data.get_protein_name(0), 'A')
         self.assertEqual(prot_data.find('A'), 0)
 

From d256d652cce36d5c0514f601e29186dc221b7c3b Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Sat, 31 Jul 2021 11:13:02 -0700
Subject: [PATCH 076/250] Squashed 'modules/pmi/' changes from
 e45d5f9489..d9821e95ad

d9821e95ad Handle IMP numpy arrays

git-subtree-dir: modules/pmi
git-subtree-split: d9821e95ad4757e7e28b7d6aa57fec8da97932e5
---
 modules/pmi/pyext/src/output.py            |  4 ++--
 modules/pmi/pyext/src/plotting/topology.py |  2 +-
 modules/pmi/pyext/src/tools.py             |  5 +++--
 modules/pmi/test/medium_test_topology.py   | 19 +++++++++----------
 4 files changed, 15 insertions(+), 15 deletions(-)

diff --git a/modules/pmi/pyext/src/output.py b/modules/pmi/pyext/src/output.py
index 98676c7cfd..a08ee267b7 100644
--- a/modules/pmi/pyext/src/output.py
+++ b/modules/pmi/pyext/src/output.py
@@ -417,7 +417,7 @@ def get_particle_infos_for_pdb_writing(self, name):
                      None, radius))
 
             elif IMP.atom.Fragment.get_is_setup(p) and not is_a_bead:
-                resindexes = IMP.pmi.tools.get_residue_indexes(p)
+                resindexes = list(IMP.pmi.tools.get_residue_indexes(p))
                 resind = resindexes[len(resindexes) // 2]
                 if resind in resindexes_dict[protname]:
                     continue
@@ -437,7 +437,7 @@ def get_particle_infos_for_pdb_writing(self, name):
             else:
                 if is_a_bead:
                     rt = IMP.atom.ResidueType('BEA')
-                    resindexes = IMP.pmi.tools.get_residue_indexes(p)
+                    resindexes = list(IMP.pmi.tools.get_residue_indexes(p))
                     if len(resindexes) > 0:
                         resind = resindexes[len(resindexes) // 2]
                         xyz = IMP.core.XYZ(p).get_coordinates()
diff --git a/modules/pmi/pyext/src/plotting/topology.py b/modules/pmi/pyext/src/plotting/topology.py
index b25523ae59..c8cf731dfb 100644
--- a/modules/pmi/pyext/src/plotting/topology.py
+++ b/modules/pmi/pyext/src/plotting/topology.py
@@ -222,7 +222,7 @@ def draw_component_composition(DegreesOfFreedom, max=1000,
             if IMP.atom.Residue.get_is_setup(h):
                 res = [IMP.atom.Residue(h).get_index()]
             elif IMP.atom.Fragment.get_is_setup(h):
-                res = IMP.atom.Fragment(h).get_residue_indexes()
+                res = list(IMP.atom.Fragment(h).get_residue_indexes())
             if res:
                 is_molecule = False
                 hp = h
diff --git a/modules/pmi/pyext/src/tools.py b/modules/pmi/pyext/src/tools.py
index baf315bd71..3b7fef3326 100644
--- a/modules/pmi/pyext/src/tools.py
+++ b/modules/pmi/pyext/src/tools.py
@@ -23,6 +23,7 @@
 import IMP.rmf
 from collections import defaultdict, OrderedDict
 import warnings
+import numpy
 
 
 def _get_system_for_hier(hier):
@@ -592,7 +593,7 @@ def get_residue_indexes(hier):
 
 
 def sort_by_residues(particles):
-    particles_residues = [(p, IMP.pmi.tools.get_residue_indexes(p))
+    particles_residues = [(p, list(IMP.pmi.tools.get_residue_indexes(p)))
                           for p in particles]
     sorted_particles_residues = sorted(
         particles_residues,
@@ -706,7 +707,7 @@ def __init__(self, index):
 
     def add(self, index):
         '''index can be a integer or a list of integers '''
-        if isinstance(index, int):
+        if isinstance(index, (int, numpy.int32, numpy.int64)):
             mergeleft = None
             mergeright = None
             for n, s in enumerate(self.segs):
diff --git a/modules/pmi/test/medium_test_topology.py b/modules/pmi/test/medium_test_topology.py
index 991122e68c..adbaab59de 100644
--- a/modules/pmi/test/medium_test_topology.py
+++ b/modules/pmi/test/medium_test_topology.py
@@ -769,16 +769,15 @@ def test_extra_breaks(self):
         hier = s.build()
         sel10 = IMP.atom.Selection(hier, resolution=10).get_selected_particles()
         self.assertEqual(len(sel10), 5)
-        self.assertEqual(IMP.atom.Fragment(sel10[0]).get_residue_indexes(),
-                         [1,2])
-        self.assertEqual(IMP.atom.Fragment(sel10[1]).get_residue_indexes(),
-                         [3,4])
-        self.assertEqual(IMP.atom.Fragment(sel10[2]).get_residue_indexes(),
-                         [5,6])
-        self.assertEqual(IMP.atom.Fragment(sel10[3]).get_residue_indexes(),
-                         [7,8,9])
-        self.assertEqual(IMP.atom.Residue(sel10[4]).get_index(),
-                         10)
+        self.assertEqual(
+            list(IMP.atom.Fragment(sel10[0]).get_residue_indexes()), [1,2])
+        self.assertEqual(
+            list(IMP.atom.Fragment(sel10[1]).get_residue_indexes()), [3,4])
+        self.assertEqual(
+            list(IMP.atom.Fragment(sel10[2]).get_residue_indexes()), [5,6])
+        self.assertEqual(
+            list(IMP.atom.Fragment(sel10[3]).get_residue_indexes()), [7,8,9])
+        self.assertEqual(IMP.atom.Residue(sel10[4]).get_index(), 10)
 
     def test_create_copy(self):
         """Test creation of Copies"""

From b708a668102bb8df4b9230e5e4226bf032f28ab6 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Sun, 1 Aug 2021 16:11:45 -0700
Subject: [PATCH 077/250] Handle returned numpy arrays

---
 modules/atom/test/test_hierarchy_tree.py | 4 ++--
 modules/rmf/test/test_restraints.py      | 2 +-
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/modules/atom/test/test_hierarchy_tree.py b/modules/atom/test/test_hierarchy_tree.py
index 6c66584409..c3a67840c7 100644
--- a/modules/atom/test/test_hierarchy_tree.py
+++ b/modules/atom/test/test_hierarchy_tree.py
@@ -24,10 +24,10 @@ def test_hierarchy_tree(self):
         n = t.get_vertex_name(desc0)
         self.assertIsInstance(n, IMP.atom.Hierarchy)
         self.assertEqual(n.get_name(), "HT_P0")
-        self.assertEqual(t.get_in_neighbors(desc0), [])
+        self.assertEqual(list(t.get_in_neighbors(desc0)), [])
         self.assertEqual(t.get_out_neighbors(desc0), [desc1])
         self.assertEqual(t.get_in_neighbors(desc1), [desc0])
-        self.assertEqual(t.get_out_neighbors(desc1), [])
+        self.assertEqual(list(t.get_out_neighbors(desc1)), [])
         sio = BytesIO()
         t.show_graphviz(sio)
         self.assertEqual(sio.getvalue(),
diff --git a/modules/rmf/test/test_restraints.py b/modules/rmf/test/test_restraints.py
index ae10c249be..c60f0b70e9 100644
--- a/modules/rmf/test/test_restraints.py
+++ b/modules/rmf/test/test_restraints.py
@@ -235,7 +235,7 @@ def test_dynamic_info(self):
             self.assertAlmostEqual(val[1], 99.5, delta=1e-6)
             self.assertEqual(info.get_number_of_ints(), 1)
             self.assertEqual(info.get_ints_key(0), "test ints")
-            self.assertEqual(info.get_ints_value(0), [42, 99])
+            self.assertEqual(list(info.get_ints_value(0)), [42, 99])
             self.assertEqual(info.get_number_of_strings(), 1)
             self.assertEqual(info.get_strings_key(0), "test strings")
             self.assertEqual(info.get_strings_value(0), ["bar", "baz"])

From acb56219586e54e5db4ec590babbcfcc475e6a76 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 2 Aug 2021 10:49:40 -0700
Subject: [PATCH 078/250] Get latest PMI1

---
 modules/pmi1 | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/pmi1 b/modules/pmi1
index 9c53829e65..46e8482bea 160000
--- a/modules/pmi1
+++ b/modules/pmi1
@@ -1 +1 @@
-Subproject commit 9c53829e6594acff2f7a7d452a589057c7c0caee
+Subproject commit 46e8482bea7cfa8fac179efe8db2b1eeb93be0ae

From a1adc83d954d542c7ea3df9033e518c6d0b0ad09 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 2 Aug 2021 10:50:03 -0700
Subject: [PATCH 079/250] Squashed 'modules/pmi/' changes from
 d9821e95ad..0bdd6f65d0

0bdd6f65d0 Don't use deprecated get_number_of_states()

git-subtree-dir: modules/pmi
git-subtree-split: 0bdd6f65d03168b9dd9c22775c3de5f23f99d151
---
 modules/pmi/pyext/src/restraints/crosslinking.py | 2 +-
 modules/pmi/pyext/src/samplers.py                | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/modules/pmi/pyext/src/restraints/crosslinking.py b/modules/pmi/pyext/src/restraints/crosslinking.py
index 4128f64d9b..077867b38e 100644
--- a/modules/pmi/pyext/src/restraints/crosslinking.py
+++ b/modules/pmi/pyext/src/restraints/crosslinking.py
@@ -1338,7 +1338,7 @@ def get_output(self):
                    self.label] = str(self.epsilons[eps].get_scale())
         output["CysteineCrossLinkRestraint_beta_" +
                self.label] = str(self.beta.get_scale())
-        for n in range(self.weight.get_number_of_states()):
+        for n in range(self.weight.get_number_of_weights()):
             output["CysteineCrossLinkRestraint_weights_" +
                    str(n) + "_" + self.label] = str(self.weight.get_weight(n))
 
diff --git a/modules/pmi/pyext/src/samplers.py b/modules/pmi/pyext/src/samplers.py
index caa61f2138..5e1fb459eb 100644
--- a/modules/pmi/pyext/src/samplers.py
+++ b/modules/pmi/pyext/src/samplers.py
@@ -341,7 +341,7 @@ def get_X_movers(self, fbs, maxtrans):
     def get_weight_movers(self, weights, maxstep):
         mvs = []
         for weight in weights:
-            if(weight.get_number_of_states() > 1):
+            if weight.get_number_of_weights() > 1:
                 mvs.append(IMP.isd.WeightMover(weight, maxstep))
         return mvs
 

From 7735b676faa1f2cb856a99f36d182b8c21afd13f Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 2 Aug 2021 10:52:02 -0700
Subject: [PATCH 080/250] Remove isd::Weight::get_number_of_states()

---
 ChangeLog.md                 | 2 ++
 modules/isd/include/Weight.h | 3 ---
 modules/isd/src/Weight.cpp   | 8 --------
 3 files changed, 2 insertions(+), 11 deletions(-)

diff --git a/ChangeLog.md b/ChangeLog.md
index 65c33ed191..412c2ee522 100644
--- a/ChangeLog.md
+++ b/ChangeLog.md
@@ -14,6 +14,8 @@ ChangeLog {#changelog}
   IMP::TripletContainer::get_particle_triplets(), and
   IMP::QuadContainer::get_particle_quads() have been removed. Use the
   get_contents() method instead.
+- The deprecated IMP::isd::Weight::get_number_of_states() method has been
+  removed. Use get_number_of_weights() instead.
 
 # 2.15.0 - 2021-06-02 # {#changelog_2_15_0}
 - The [Homebrew](https://brew.sh/) Mac packages now support Apple Silicon.
diff --git a/modules/isd/include/Weight.h b/modules/isd/include/Weight.h
index 6afa3380fb..9bb12cbcc8 100755
--- a/modules/isd/include/Weight.h
+++ b/modules/isd/include/Weight.h
@@ -118,9 +118,6 @@ class IMPISDEXPORT Weight : public Decorator {
    */
   void add_weight(Float wi = 0);
 
-  IMPISD_DEPRECATED_METHOD_DECL(2.12)
-  Int get_number_of_states() const;
-
   //! Get number of weights.
   Int get_number_of_weights() const;
 
diff --git a/modules/isd/src/Weight.cpp b/modules/isd/src/Weight.cpp
index 01dbfbbb7f..dfac36ea70 100644
--- a/modules/isd/src/Weight.cpp
+++ b/modules/isd/src/Weight.cpp
@@ -204,14 +204,6 @@ void Weight::add_weight(Float wi) {
   set_weights(get_weights());
 }
 
-Int Weight::get_number_of_states() const {
-  IMPISD_DEPRECATED_METHOD_DEF(
-    2.12,
-    "Use get_number_of_weights() instead."
-  );
-  return get_number_of_weights();
-}
-
 Int Weight::get_number_of_weights() const {
   return get_particle()->get_value(get_number_of_weights_key());
 }

From fd1e23968bd22ec7b7c2bf88cc21e883329c5b63 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 2 Aug 2021 13:15:42 -0700
Subject: [PATCH 081/250] Return Eigen::Matrix as NumPy array if possible

---
 .../algebra/pyext/include/IMP_algebra.types.i | 50 +++++++++++++++++++
 modules/algebra/test/test_eigen.py            | 28 +++++++++--
 2 files changed, 74 insertions(+), 4 deletions(-)

diff --git a/modules/algebra/pyext/include/IMP_algebra.types.i b/modules/algebra/pyext/include/IMP_algebra.types.i
index 1cfea928cf..38b015f489 100644
--- a/modules/algebra/pyext/include/IMP_algebra.types.i
+++ b/modules/algebra/pyext/include/IMP_algebra.types.i
@@ -352,6 +352,30 @@ struct ConvertEigenMatrix {
   }
   template <class SwigData>
   static PyObject* create_python_object(const M& t, SwigData st, int OWN) {
+#if IMP_KERNEL_HAS_NUMPY
+    // We are called for both float and double. Map to equivalent NumPy
+    // types by checking the size of the type (a little ugly)
+    BOOST_STATIC_ASSERT(sizeof(typename M::Scalar) == sizeof(double) ||
+                        sizeof(typename M::Scalar) == sizeof(float));
+    if (numpy_import_retval == 0) {
+      npy_intp dims[2];
+      dims[0] = t.rows();
+      dims[1] = t.cols();
+      int typenum = sizeof(typename M::Scalar) == sizeof(double)
+                    ? NPY_DOUBLE : NPY_FLOAT;
+      // Eigen matrices are column major by default; numpy is row major
+      // by default, so force column major (Fortran-contiguous style)
+      PyReceivePointer ret(PyArray_NewFromDescr(
+             &PyArray_Type, PyArray_DescrFromType(typenum), 2, dims,
+             NULL, NULL, NPY_ARRAY_F_CONTIGUOUS, NULL));
+      if (t.rows()*t.cols() > 0) {
+        PyObject *obj = ret;
+        memcpy(PyArray_DATA(obj), t.data(),
+               t.rows() * t.cols() * sizeof(typename M::Scalar));
+      }
+      return ret.release();
+    } else {
+#endif
     PyReceivePointer ret(PyList_New(t.rows()));
     for (unsigned int i = 0; i < t.rows(); ++i) {
       PyReceivePointer inner(PyList_New(t.cols()));
@@ -363,6 +387,10 @@ struct ConvertEigenMatrix {
       IMP_PYTHON_CALL(PyList_SetItem(ret, i, inner.release()));
     }
     return ret.release();
+#if IMP_KERNEL_HAS_NUMPY
+    }
+#endif
+
   }
 };
 
@@ -400,6 +428,25 @@ struct ConvertEigenVector {
   }
   template <class SwigData>
   static PyObject* create_python_object(const M& t, SwigData st, int OWN) {
+#if IMP_KERNEL_HAS_NUMPY
+    // We are called for both float and double. Map to equivalent NumPy
+    // types by checking the size of the type (a little ugly)
+    BOOST_STATIC_ASSERT(sizeof(typename M::Scalar) == sizeof(double) ||
+                        sizeof(typename M::Scalar) == sizeof(float));
+    if (numpy_import_retval == 0) {
+      npy_intp dims[2];
+      dims[0] = t.rows();
+      PyReceivePointer ret(PyArray_SimpleNew(1, dims,
+                   sizeof(typename M::Scalar) == sizeof(double)
+                   ? NPY_DOUBLE : NPY_FLOAT));
+      if (t.rows() > 0) {
+        PyObject *obj = ret;
+        memcpy(PyArray_DATA(obj), t.data(),
+               t.rows() * sizeof(typename M::Scalar));
+      }
+      return ret.release();
+    } else {
+#endif
     PyReceivePointer ret(PyList_New(t.rows()));
     for (unsigned int i = 0; i < t.rows(); ++i) {
       PyReceivePointer o(PyFloat_FromDouble(t(i)));
@@ -407,6 +454,9 @@ struct ConvertEigenVector {
       IMP_PYTHON_CALL(PyList_SetItem(ret, i, o.release()));
     }
     return ret.release();
+#if IMP_KERNEL_HAS_NUMPY
+    }
+#endif
   }
 };
 
diff --git a/modules/algebra/test/test_eigen.py b/modules/algebra/test/test_eigen.py
index dff5df6392..e6747228d4 100644
--- a/modules/algebra/test/test_eigen.py
+++ b/modules/algebra/test/test_eigen.py
@@ -3,6 +3,9 @@
 import io
 import os
 import math
+if IMP.IMP_KERNEL_HAS_NUMPY:
+    import numpy
+    import numpy.testing
 
 
 class Tests(IMP.test.TestCase):
@@ -11,23 +14,40 @@ def test_matrix(self):
         """Check pass eigen matrix types works"""
         inval = [[1, 2, 3], [4, 5, 6], [7, 8, 9], [10, 11, 12]]
         out = IMP.algebra._pass_matrix_xf(inval)
-        self.assertEqual(inval, out)
+        if IMP.IMP_KERNEL_HAS_NUMPY:
+            self.assertIsInstance(out, numpy.ndarray)
+            numpy.testing.assert_allclose(inval, out)
+        else:
+            self.assertEqual(inval, out)
 
         out = IMP.algebra._pass_matrix_xd(inval)
-        self.assertEqual(inval, out)
+        if IMP.IMP_KERNEL_HAS_NUMPY:
+            self.assertIsInstance(out, numpy.ndarray)
+            numpy.testing.assert_allclose(inval, out)
+        else:
+            self.assertEqual(inval, out)
 
     def test_array(self):
         """Check pass eigen array types works"""
         inval = [[1, 2, 3], [4, 5, 6], [7, 8, 9], [10, 11, 12]]
         out = IMP.algebra._pass_array_xd(inval)
-        self.assertEqual(inval, out)
+        if IMP.IMP_KERNEL_HAS_NUMPY:
+            self.assertIsInstance(out, numpy.ndarray)
+            numpy.testing.assert_allclose(inval, out)
+        else:
+            self.assertEqual(inval, out)
 
     def test_vector(self):
         """Check pass eigen vector types works"""
         inval = [1, 2, 3]
 
         out = IMP.algebra._pass_vector_xd(inval)
-        self.assertEqual(inval, out)
+        if IMP.IMP_KERNEL_HAS_NUMPY:
+            self.assertIsInstance(out, numpy.ndarray)
+            numpy.testing.assert_allclose(inval, out)
+        else:
+            self.assertEqual(inval, out)
+
 
 if __name__ == '__main__':
     IMP.test.main()

From 90de86025f6daeb149a7a2577b086d69d73fdb76 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 2 Aug 2021 17:17:50 -0700
Subject: [PATCH 082/250] Map ParticleIndexes to numpy array if possible

---
 .../include/internal/swig_helpers_base.h      | 29 +++++++++++++++++++
 1 file changed, 29 insertions(+)

diff --git a/modules/kernel/include/internal/swig_helpers_base.h b/modules/kernel/include/internal/swig_helpers_base.h
index 5648d1dcdb..972cd6c517 100644
--- a/modules/kernel/include/internal/swig_helpers_base.h
+++ b/modules/kernel/include/internal/swig_helpers_base.h
@@ -607,6 +607,35 @@ struct ConvertSequence<Floats, ConvertT> : public ConvertVectorBase<
     }
   }
 };
+
+/* Map list of ParticleIndex to a numpy array on integers.
+   This should be much faster than making a Python ParticleIndex object
+   for each index, at the expense of potentially allowing unsafe operations
+   on the indexes (e.g. it makes no sense to multiply or divide an index) */
+template <class ConvertT>
+struct ConvertSequence<ParticleIndexes, ConvertT> : public ConvertVectorBase<
+                                                     ParticleIndexes, ConvertT> {
+  static const int converter = 34;
+  typedef ConvertVectorBase<ParticleIndexes, ConvertT> Base;
+
+  template <class SwigData>
+  static PyObject* create_python_object(const ParticleIndexes& t, SwigData st,
+                                        int OWN) {
+    if (numpy_import_retval == 0) {
+      BOOST_STATIC_ASSERT(sizeof(ParticleIndex) == sizeof(int));
+      npy_intp dims[2];
+      dims[0] = t.size();
+      PyReceivePointer ret(PyArray_SimpleNew(1, dims, NPY_INT));
+      if (t.size() > 0) {
+        PyObject *obj = ret;
+        memcpy(PyArray_DATA(obj), &t[0], t.size() * sizeof(int));
+      }
+      return ret.release();
+    } else {
+      return Base::create_python_object(t, st, OWN);
+    }
+  }
+};
 #endif
 
 template <>

From e9a52b84675dc138bf93b0ec2a3ed9228d02e0ac Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 2 Aug 2021 18:05:21 -0700
Subject: [PATCH 083/250] Map ParticleIndexPairs to numpy array if possible

---
 modules/kernel/include/Array.h                |  8 +++++
 .../include/internal/swig_helpers_base.h      | 29 +++++++++++++++++++
 2 files changed, 37 insertions(+)

diff --git a/modules/kernel/include/Array.h b/modules/kernel/include/Array.h
index df77615dad..b379d520ba 100644
--- a/modules/kernel/include/Array.h
+++ b/modules/kernel/include/Array.h
@@ -123,6 +123,14 @@ class Array : public Value {
   typedef typename Storage::const_iterator const_iterator;
   const_iterator begin() const { return d_.begin(); }
   const_iterator end() const { return d_.end(); }
+
+  const Data* data() const {
+    if (d_.empty()) {
+      return NULL;
+    } else {
+      return &d_.front();
+    }
+  }
 };
 
 IMPKERNEL_END_NAMESPACE
diff --git a/modules/kernel/include/internal/swig_helpers_base.h b/modules/kernel/include/internal/swig_helpers_base.h
index 972cd6c517..eaa2df952a 100644
--- a/modules/kernel/include/internal/swig_helpers_base.h
+++ b/modules/kernel/include/internal/swig_helpers_base.h
@@ -636,6 +636,35 @@ struct ConvertSequence<ParticleIndexes, ConvertT> : public ConvertVectorBase<
     }
   }
 };
+
+template <class ConvertT>
+struct ConvertSequence<ParticleIndexPairs, ConvertT>
+          : public ConvertVectorBase<ParticleIndexPairs, ConvertT> {
+  static const int converter = 35;
+  typedef ConvertVectorBase<ParticleIndexPairs, ConvertT> Base;
+
+  template <class SwigData>
+  static PyObject* create_python_object(const ParticleIndexPairs& t,
+                                        SwigData st, int OWN) {
+    if (numpy_import_retval == 0) {
+      npy_intp dims[2];
+      dims[0] = t.size();
+      dims[1] = 2;
+      PyReceivePointer ret(PyArray_SimpleNew(2, dims, NPY_INT));
+      if (t.size() > 0) {
+        PyObject *obj = ret;
+        char *data = (char *)PyArray_DATA(obj);
+        for (size_t i = 0; i < t.size(); ++i) {
+          memcpy(data + i * 2 * sizeof(int), t[i].data(),
+                 sizeof(int) * 2);
+        }
+      }
+      return ret.release();
+    } else {
+      return Base::create_python_object(t, st, OWN);
+    }
+  }
+};
 #endif
 
 template <>

From 92b64367e7f18745f4d4b637bbd295ac4c1e92c4 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 2 Aug 2021 18:24:14 -0700
Subject: [PATCH 084/250] Map ParticleIndex{Triplets,Quads} to numpy arrays

---
 .../include/internal/swig_helpers_base.h      | 65 +++++++++++++++----
 1 file changed, 52 insertions(+), 13 deletions(-)

diff --git a/modules/kernel/include/internal/swig_helpers_base.h b/modules/kernel/include/internal/swig_helpers_base.h
index eaa2df952a..773a4ba5cb 100644
--- a/modules/kernel/include/internal/swig_helpers_base.h
+++ b/modules/kernel/include/internal/swig_helpers_base.h
@@ -637,6 +637,23 @@ struct ConvertSequence<ParticleIndexes, ConvertT> : public ConvertVectorBase<
   }
 };
 
+// Convert ParticleIndex{Pairs,Triplets,Quads} to a NumPy array
+template<class IndexArray, int D>
+static PyObject* create_index_array_numpy(const IndexArray &t) {
+  npy_intp dims[2];
+  dims[0] = t.size();
+  dims[1] = D;
+  PyReceivePointer ret(PyArray_SimpleNew(2, dims, NPY_INT));
+  if (t.size() > 0) {
+    PyObject *obj = ret;
+    char *data = (char *)PyArray_DATA(obj);
+    for (size_t i = 0; i < t.size(); ++i) {
+      memcpy(data + i * D * sizeof(int), t[i].data(), sizeof(int) * D);
+    }
+  }
+  return ret.release();
+}
+
 template <class ConvertT>
 struct ConvertSequence<ParticleIndexPairs, ConvertT>
           : public ConvertVectorBase<ParticleIndexPairs, ConvertT> {
@@ -647,19 +664,41 @@ struct ConvertSequence<ParticleIndexPairs, ConvertT>
   static PyObject* create_python_object(const ParticleIndexPairs& t,
                                         SwigData st, int OWN) {
     if (numpy_import_retval == 0) {
-      npy_intp dims[2];
-      dims[0] = t.size();
-      dims[1] = 2;
-      PyReceivePointer ret(PyArray_SimpleNew(2, dims, NPY_INT));
-      if (t.size() > 0) {
-        PyObject *obj = ret;
-        char *data = (char *)PyArray_DATA(obj);
-        for (size_t i = 0; i < t.size(); ++i) {
-          memcpy(data + i * 2 * sizeof(int), t[i].data(),
-                 sizeof(int) * 2);
-        }
-      }
-      return ret.release();
+      return create_index_array_numpy<ParticleIndexPairs, 2>(t);
+    } else {
+      return Base::create_python_object(t, st, OWN);
+    }
+  }
+};
+
+template <class ConvertT>
+struct ConvertSequence<ParticleIndexTriplets, ConvertT>
+          : public ConvertVectorBase<ParticleIndexTriplets, ConvertT> {
+  static const int converter = 36;
+  typedef ConvertVectorBase<ParticleIndexTriplets, ConvertT> Base;
+
+  template <class SwigData>
+  static PyObject* create_python_object(const ParticleIndexTriplets& t,
+                                        SwigData st, int OWN) {
+    if (numpy_import_retval == 0) {
+      return create_index_array_numpy<ParticleIndexTriplets, 3>(t);
+    } else {
+      return Base::create_python_object(t, st, OWN);
+    }
+  }
+};
+
+template <class ConvertT>
+struct ConvertSequence<ParticleIndexQuads, ConvertT>
+          : public ConvertVectorBase<ParticleIndexQuads, ConvertT> {
+  static const int converter = 37;
+  typedef ConvertVectorBase<ParticleIndexQuads, ConvertT> Base;
+
+  template <class SwigData>
+  static PyObject* create_python_object(const ParticleIndexQuads& t,
+                                        SwigData st, int OWN) {
+    if (numpy_import_retval == 0) {
+      return create_index_array_numpy<ParticleIndexQuads, 4>(t);
     } else {
       return Base::create_python_object(t, st, OWN);
     }

From 6e206aa150c5c49d763f4f34209a5d79072d81aa Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 3 Aug 2021 11:47:36 -0700
Subject: [PATCH 085/250] Allow numpy arrays as ParticleIndexes input

Allow a numpy int array to be passed from Python
to any function that expects ParticleIndexes. This
allows us to pass back numpy arrays from functions
that returned ParticleIndexes.
---
 .../include/internal/swig_helpers_base.h      | 26 ++++++++++++++++++-
 1 file changed, 25 insertions(+), 1 deletion(-)

diff --git a/modules/kernel/include/internal/swig_helpers_base.h b/modules/kernel/include/internal/swig_helpers_base.h
index 773a4ba5cb..f72abec063 100644
--- a/modules/kernel/include/internal/swig_helpers_base.h
+++ b/modules/kernel/include/internal/swig_helpers_base.h
@@ -608,7 +608,7 @@ struct ConvertSequence<Floats, ConvertT> : public ConvertVectorBase<
   }
 };
 
-/* Map list of ParticleIndex to a numpy array on integers.
+/* Map list of ParticleIndex to a numpy array of integers.
    This should be much faster than making a Python ParticleIndex object
    for each index, at the expense of potentially allowing unsafe operations
    on the indexes (e.g. it makes no sense to multiply or divide an index) */
@@ -618,6 +618,30 @@ struct ConvertSequence<ParticleIndexes, ConvertT> : public ConvertVectorBase<
   static const int converter = 34;
   typedef ConvertVectorBase<ParticleIndexes, ConvertT> Base;
 
+  template <class SwigData>
+  static bool get_is_cpp_object(PyObject* in, SwigData st, SwigData particle_st,
+                                SwigData decorator_st) {
+    return (numpy_import_retval == 0 && is_native_numpy_array(in, NPY_INT))
+           || Base::get_is_cpp_object(in, st, particle_st, decorator_st);
+  }
+
+  template <class SwigData>
+  static ParticleIndexes get_cpp_object(
+                             PyObject* o, const char *symname, int argnum,
+                             const char *argtype, SwigData st,
+                             SwigData particle_st,
+                             SwigData decorator_st) {
+    if (numpy_import_retval == 0 && is_native_numpy_array(o, NPY_INT)) {
+      BOOST_STATIC_ASSERT(sizeof(ParticleIndex) == sizeof(int));
+      int dim = PyArray_DIM((PyArrayObject*)o, 0);
+      ParticleIndex *data = (ParticleIndex *)PyArray_DATA((PyArrayObject*)o);
+      return ParticleIndexes(data, data+dim);
+    } else {
+      return Base::get_cpp_object(o, symname, argnum, argtype, st,
+                                  particle_st, decorator_st);
+    }
+  }
+
   template <class SwigData>
   static PyObject* create_python_object(const ParticleIndexes& t, SwigData st,
                                         int OWN) {

From 601c21ed0f2d0a8664f4ee84219ef280013b404a Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 3 Aug 2021 12:39:50 -0700
Subject: [PATCH 086/250] Map numpy arrays to
 ParticleIndex{Pairs,Triplets,Quads}

---
 modules/kernel/include/Array.h                |   8 ++
 .../include/internal/swig_helpers_base.h      | 122 ++++++++++++++++--
 2 files changed, 121 insertions(+), 9 deletions(-)

diff --git a/modules/kernel/include/Array.h b/modules/kernel/include/Array.h
index b379d520ba..9b37e0d13e 100644
--- a/modules/kernel/include/Array.h
+++ b/modules/kernel/include/Array.h
@@ -124,6 +124,14 @@ class Array : public Value {
   const_iterator begin() const { return d_.begin(); }
   const_iterator end() const { return d_.end(); }
 
+  Data* data() {
+    if (d_.empty()) {
+      return NULL;
+    } else {
+      return &d_.front();
+    }
+  }
+
   const Data* data() const {
     if (d_.empty()) {
       return NULL;
diff --git a/modules/kernel/include/internal/swig_helpers_base.h b/modules/kernel/include/internal/swig_helpers_base.h
index f72abec063..e6f534c965 100644
--- a/modules/kernel/include/internal/swig_helpers_base.h
+++ b/modules/kernel/include/internal/swig_helpers_base.h
@@ -27,7 +27,7 @@
 // This should be defined in the including module's SWIG wrapper
 extern int numpy_import_retval;
 
-// Return true iff `o` is a 1D numpy array of the given type laid out in
+// Return true iff `o` is a numpy array of the given type laid out in
 // a contiguous chunk of memory
 bool is_native_numpy_array(PyObject *o, int numpy_type) {
   if (!o || !PyArray_Check(o)) return false; // not a numpy array
@@ -39,8 +39,29 @@ bool is_native_numpy_array(PyObject *o, int numpy_type) {
     return false;  // data type does not match
   }
 
-  return PyArray_ISCONTIGUOUS(a) && PyArray_ISNOTSWAPPED(a)
-         && PyArray_NDIM(a) == 1;
+  return PyArray_ISCONTIGUOUS(a) && PyArray_ISNOTSWAPPED(a);
+}
+
+// Return true iff `o` is a 1D numpy array of the given type laid out in
+// a contiguous chunk of memory
+bool is_native_numpy_1d_array(PyObject *o, int numpy_type) {
+  if (is_native_numpy_array(o, numpy_type)) {
+    PyArrayObject *a = (PyArrayObject *)o;
+    return PyArray_NDIM(a) == 1;
+  } else {
+    return false;
+  }
+}
+
+// Return true iff `o` is a 2D numpy array of the given type laid out in
+// a contiguous chunk of memory
+bool is_native_numpy_2d_array(PyObject *o, int numpy_type, npy_intp ncol) {
+  if (is_native_numpy_array(o, numpy_type)) {
+    PyArrayObject *a = (PyArrayObject *)o;
+    return PyArray_NDIM(a) == 2 && PyArray_DIM(a, 1) == ncol;
+  } else {
+    return false;
+  }
 }
 #endif
 
@@ -527,7 +548,7 @@ struct ConvertSequence<Ints, ConvertT> : public ConvertVectorBase<
   template <class SwigData>
   static bool get_is_cpp_object(PyObject* in, SwigData st, SwigData particle_st,
                                 SwigData decorator_st) {
-    return (numpy_import_retval == 0 && is_native_numpy_array(in, NPY_INT))
+    return (numpy_import_retval == 0 && is_native_numpy_1d_array(in, NPY_INT))
            || Base::get_is_cpp_object(in, st, particle_st, decorator_st);
   }
 
@@ -536,7 +557,7 @@ struct ConvertSequence<Ints, ConvertT> : public ConvertVectorBase<
                              const char *argtype, SwigData st,
                              SwigData particle_st,
                              SwigData decorator_st) {
-    if (numpy_import_retval == 0 && is_native_numpy_array(o, NPY_INT)) {
+    if (numpy_import_retval == 0 && is_native_numpy_1d_array(o, NPY_INT)) {
       int dim = PyArray_DIM((PyArrayObject*)o, 0);
       int *data = (int *)PyArray_DATA((PyArrayObject*)o);
       return Ints(data, data+dim);
@@ -572,7 +593,8 @@ struct ConvertSequence<Floats, ConvertT> : public ConvertVectorBase<
   template <class SwigData>
   static bool get_is_cpp_object(PyObject* in, SwigData st, SwigData particle_st,
                                 SwigData decorator_st) {
-    return (numpy_import_retval == 0 && is_native_numpy_array(in, NPY_DOUBLE))
+    return (numpy_import_retval == 0
+                    && is_native_numpy_1d_array(in, NPY_DOUBLE))
            || Base::get_is_cpp_object(in, st, particle_st, decorator_st);
   }
 
@@ -581,7 +603,7 @@ struct ConvertSequence<Floats, ConvertT> : public ConvertVectorBase<
                                const char *argtype, SwigData st,
                                SwigData particle_st,
                                SwigData decorator_st) {
-    if (numpy_import_retval == 0 && is_native_numpy_array(o, NPY_DOUBLE)) {
+    if (numpy_import_retval == 0 && is_native_numpy_1d_array(o, NPY_DOUBLE)) {
       int dim = PyArray_DIM((PyArrayObject*)o, 0);
       double *data = (double *)PyArray_DATA((PyArrayObject*)o);
       return Floats(data, data+dim);
@@ -621,7 +643,7 @@ struct ConvertSequence<ParticleIndexes, ConvertT> : public ConvertVectorBase<
   template <class SwigData>
   static bool get_is_cpp_object(PyObject* in, SwigData st, SwigData particle_st,
                                 SwigData decorator_st) {
-    return (numpy_import_retval == 0 && is_native_numpy_array(in, NPY_INT))
+    return (numpy_import_retval == 0 && is_native_numpy_1d_array(in, NPY_INT))
            || Base::get_is_cpp_object(in, st, particle_st, decorator_st);
   }
 
@@ -631,7 +653,7 @@ struct ConvertSequence<ParticleIndexes, ConvertT> : public ConvertVectorBase<
                              const char *argtype, SwigData st,
                              SwigData particle_st,
                              SwigData decorator_st) {
-    if (numpy_import_retval == 0 && is_native_numpy_array(o, NPY_INT)) {
+    if (numpy_import_retval == 0 && is_native_numpy_1d_array(o, NPY_INT)) {
       BOOST_STATIC_ASSERT(sizeof(ParticleIndex) == sizeof(int));
       int dim = PyArray_DIM((PyArrayObject*)o, 0);
       ParticleIndex *data = (ParticleIndex *)PyArray_DATA((PyArrayObject*)o);
@@ -661,6 +683,22 @@ struct ConvertSequence<ParticleIndexes, ConvertT> : public ConvertVectorBase<
   }
 };
 
+// Convert NumPy array to ParticleIndex{Pairs,Triplets,Quads}
+template<class IndexArray, int D>
+static IndexArray create_index_array_cpp(PyObject *o) {
+  PyArrayObject *a = (PyArrayObject *)o;
+  npy_intp sz = PyArray_DIM(a, 0);
+
+  IndexArray arr(sz);
+  if (sz > 0) {
+    char *data = (char *)PyArray_DATA(o);
+    for (size_t i = 0; i < sz; ++i) {
+      memcpy(arr[i].data(), data + i * D * sizeof(int), sizeof(int) * D);
+    }
+  }
+  return arr;
+}
+
 // Convert ParticleIndex{Pairs,Triplets,Quads} to a NumPy array
 template<class IndexArray, int D>
 static PyObject* create_index_array_numpy(const IndexArray &t) {
@@ -684,6 +722,28 @@ struct ConvertSequence<ParticleIndexPairs, ConvertT>
   static const int converter = 35;
   typedef ConvertVectorBase<ParticleIndexPairs, ConvertT> Base;
 
+  template <class SwigData>
+  static bool get_is_cpp_object(PyObject* in, SwigData st, SwigData particle_st,
+                                SwigData decorator_st) {
+    return (numpy_import_retval == 0
+                    && is_native_numpy_2d_array(in, NPY_INT, 2))
+           || Base::get_is_cpp_object(in, st, particle_st, decorator_st);
+  }
+
+  template <class SwigData>
+  static ParticleIndexPairs get_cpp_object(
+                             PyObject* o, const char *symname, int argnum,
+                             const char *argtype, SwigData st,
+                             SwigData particle_st,
+                             SwigData decorator_st) {
+    if (numpy_import_retval == 0 && is_native_numpy_2d_array(o, NPY_INT, 2)) {
+      return create_index_array_cpp<ParticleIndexPairs, 2>(o);
+    } else {
+      return Base::get_cpp_object(o, symname, argnum, argtype, st,
+                                  particle_st, decorator_st);
+    }
+  }
+
   template <class SwigData>
   static PyObject* create_python_object(const ParticleIndexPairs& t,
                                         SwigData st, int OWN) {
@@ -701,6 +761,28 @@ struct ConvertSequence<ParticleIndexTriplets, ConvertT>
   static const int converter = 36;
   typedef ConvertVectorBase<ParticleIndexTriplets, ConvertT> Base;
 
+  template <class SwigData>
+  static bool get_is_cpp_object(PyObject* in, SwigData st, SwigData particle_st,
+                                SwigData decorator_st) {
+    return (numpy_import_retval == 0
+                    && is_native_numpy_2d_array(in, NPY_INT, 3))
+           || Base::get_is_cpp_object(in, st, particle_st, decorator_st);
+  }
+
+  template <class SwigData>
+  static ParticleIndexTriplets get_cpp_object(
+                             PyObject* o, const char *symname, int argnum,
+                             const char *argtype, SwigData st,
+                             SwigData particle_st,
+                             SwigData decorator_st) {
+    if (numpy_import_retval == 0 && is_native_numpy_2d_array(o, NPY_INT, 3)) {
+      return create_index_array_cpp<ParticleIndexTriplets, 3>(o);
+    } else {
+      return Base::get_cpp_object(o, symname, argnum, argtype, st,
+                                  particle_st, decorator_st);
+    }
+  }
+
   template <class SwigData>
   static PyObject* create_python_object(const ParticleIndexTriplets& t,
                                         SwigData st, int OWN) {
@@ -718,6 +800,28 @@ struct ConvertSequence<ParticleIndexQuads, ConvertT>
   static const int converter = 37;
   typedef ConvertVectorBase<ParticleIndexQuads, ConvertT> Base;
 
+  template <class SwigData>
+  static bool get_is_cpp_object(PyObject* in, SwigData st, SwigData particle_st,
+                                SwigData decorator_st) {
+    return (numpy_import_retval == 0
+                    && is_native_numpy_2d_array(in, NPY_INT, 4))
+           || Base::get_is_cpp_object(in, st, particle_st, decorator_st);
+  }
+
+  template <class SwigData>
+  static ParticleIndexQuads get_cpp_object(
+                             PyObject* o, const char *symname, int argnum,
+                             const char *argtype, SwigData st,
+                             SwigData particle_st,
+                             SwigData decorator_st) {
+    if (numpy_import_retval == 0 && is_native_numpy_2d_array(o, NPY_INT, 4)) {
+      return create_index_array_cpp<ParticleIndexQuads, 4>(o);
+    } else {
+      return Base::get_cpp_object(o, symname, argnum, argtype, st,
+                                  particle_st, decorator_st);
+    }
+  }
+
   template <class SwigData>
   static PyObject* create_python_object(const ParticleIndexQuads& t,
                                         SwigData st, int OWN) {

From 5fcd823cd552793402e399b19a1dc7e0accf7ad0 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 3 Aug 2021 13:43:42 -0700
Subject: [PATCH 087/250] Allow numpy array elements as ParticleIndex

Allow numpy.int32 objects as inputs to all
functions that want ParticleIndex (or pair/triplet/quad)
so that we can pass elements of a numpy array, returned
from other IMP functions that return ParticleIndexes.
---
 modules/kernel/include/internal/swig_helpers.h | 16 ++++++++++++++++
 1 file changed, 16 insertions(+)

diff --git a/modules/kernel/include/internal/swig_helpers.h b/modules/kernel/include/internal/swig_helpers.h
index 6707ccda4b..ba15e39899 100644
--- a/modules/kernel/include/internal/swig_helpers.h
+++ b/modules/kernel/include/internal/swig_helpers.h
@@ -74,6 +74,9 @@ struct Convert<ParticleIndex> : public ConvertValueBase<ParticleIndex> {
                                       SwigData index_st,
                                       SwigData particle_st,
                                       SwigData decorator_st) {
+#if IMP_KERNEL_HAS_NUMPY
+    long ret;
+#endif
     void *vp;
     int res = SWIG_ConvertPtr(o, &vp, index_st, 0);
     if (SWIG_IsOK(res)) {
@@ -81,6 +84,13 @@ struct Convert<ParticleIndex> : public ConvertValueBase<ParticleIndex> {
       ParticleIndex ret = *temp;
       if (SWIG_IsNewObj(res)) delete temp;
       return ret;
+#if IMP_KERNEL_HAS_NUMPY
+    // Allow elements of int numpy arrays
+    } else if (numpy_import_retval == 0
+               && PyObject_TypeCheck(o, &PyIntArrType_Type)
+               && ((ret = PyLong_AsLong(o)) != -1 || !PyErr_Occurred())) {
+      return ParticleIndex(ret);
+#endif
     } else {
       Particle *p = Helper::get_cpp_object(o, symname, argnum, argtype,
                                            index_st, particle_st,
@@ -91,6 +101,12 @@ struct Convert<ParticleIndex> : public ConvertValueBase<ParticleIndex> {
   template <class SwigData>
   static bool get_is_cpp_object(PyObject *o, SwigData st, SwigData particle_st,
                                 SwigData decorator_st) {
+#if IMP_KERNEL_HAS_NUMPY
+    // Allow elements of int numpy arrays
+    if (numpy_import_retval == 0 && PyObject_TypeCheck(o, &PyIntArrType_Type)) {
+      return true;
+    }
+#endif
     try {
       get_cpp_object(o, "", 0, "", st, particle_st, decorator_st);
     }

From 573e0bd0734a64ceb563fdee6107035e135eaadf Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 3 Aug 2021 17:54:15 -0700
Subject: [PATCH 088/250] Update tests for NumPy particle indexes

---
 modules/atom/test/test_selection_type.py      |  9 +++++---
 .../test_close_bipartite_pairs_score_state.py |  4 ++--
 modules/container/test/test_distribute.py     | 15 +++++++++---
 .../test/medium_test_close_pair_finders.py    |  8 +++++++
 modules/core/test/medium_test_non_rigid.py    |  4 ++++
 modules/core/test/test_mccg.py                |  3 +++
 modules/core/test/test_normal_mover.py        |  2 ++
 modules/core/test/test_rigid_bodies.py        | 15 ++++++------
 modules/kernel/test/test_attributes.py        |  3 ++-
 modules/kernel/test/test_particle_index.py    |  9 ++++----
 modules/kernel/test/test_restraint_info.py    |  3 ++-
 modules/test/pyext/src/__init__.py            | 23 +++++++++++++++++++
 tools/build/container_templates/test.py       |  5 ++++
 13 files changed, 82 insertions(+), 21 deletions(-)

diff --git a/modules/atom/test/test_selection_type.py b/modules/atom/test/test_selection_type.py
index 1ebdb2199c..d6ac87b850 100644
--- a/modules/atom/test/test_selection_type.py
+++ b/modules/atom/test/test_selection_type.py
@@ -57,7 +57,8 @@ def test_trivial(self):
         # Must specify either hierarchy or hierarchies
         self.assertRaises(ValueError, IMP.atom.Selection)
         s = IMP.atom.Selection([rh])
-        self.assertEqual(s.get_selected_particle_indexes(), [ci])
+        self.assertNumPyParticleIndexesEqual(
+            s.get_selected_particle_indexes(), [ci])
 
     def test_one(self):
         """Test selection of N and C termini"""
@@ -149,9 +150,11 @@ def test_two(self):
         ntm = IMP.atom.Mass.setup_particle(m, cti, 1)
         cc.add_child(cth)
         cs = IMP.atom.Selection([rh], terminus=IMP.atom.Selection.C)
-        self.assertEqual(cs.get_selected_particle_indexes(), [cti])
+        self.assertNumPyParticleIndexesEqual(
+            cs.get_selected_particle_indexes(), [cti])
         ns = IMP.atom.Selection([rh], terminus=IMP.atom.Selection.N)
-        self.assertEqual(ns.get_selected_particle_indexes(), [nti])
+        self.assertNumPyParticleIndexesEqual(
+            ns.get_selected_particle_indexes(), [nti])
 
     def test_mixed_coordinates(self):
         """Test a selection when only some have coordinates"""
diff --git a/modules/container/test/test_close_bipartite_pairs_score_state.py b/modules/container/test/test_close_bipartite_pairs_score_state.py
index 49aa3f9f2c..58425c1745 100644
--- a/modules/container/test/test_close_bipartite_pairs_score_state.py
+++ b/modules/container/test/test_close_bipartite_pairs_score_state.py
@@ -93,8 +93,8 @@ def test_it_3(self):
     def test_filtering(self):
         """Testing that CloseBipartitePairContainer responds to changes in filters"""
         m = IMP.Model()
-        ps0 = IMP.get_indexes(self.create_particles_in_box(m, 30))
-        ps1 = IMP.get_indexes(self.create_particles_in_box(m, 30))
+        ps0 = list(IMP.get_indexes(self.create_particles_in_box(m, 30)))
+        ps1 = list(IMP.get_indexes(self.create_particles_in_box(m, 30)))
         for p in ps0 + ps1:
             IMP.core.XYZR.setup_particle(m, p, 1)
         # test rebuilding under move, set input and change radius
diff --git a/modules/container/test/test_distribute.py b/modules/container/test/test_distribute.py
index 0cf4dfaf96..66aa72427d 100644
--- a/modules/container/test/test_distribute.py
+++ b/modules/container/test/test_distribute.py
@@ -50,8 +50,17 @@ def test_allp(self):
         pse = [ps[i * 2] for i in range(len(ps) // 2)]
         pso = [ps[i * 2 + 1] for i in range(len(ps) // 2)]
         psf = [ps[0], ps[5]]
-        self.assertEqual(even.get_contents(), pse)
-        self.assertEqual(odd.get_contents(), pso)
-        self.assertEqual(zf.get_contents(), psf)
+        evenc = even.get_contents()
+        oddc = odd.get_contents()
+        zfc = zf.get_contents()
+        if IMP.IMP_KERNEL_HAS_NUMPY:
+            evenc = [IMP.ParticleIndex(p) for p in evenc]
+            oddc = [IMP.ParticleIndex(p) for p in oddc]
+            zfc = [IMP.ParticleIndex(p) for p in zfc]
+        self.assertEqual(evenc, pse)
+        self.assertEqual(oddc, pso)
+        self.assertEqual(zfc, psf)
+
+
 if __name__ == '__main__':
     IMP.test.main()
diff --git a/modules/core/test/medium_test_close_pair_finders.py b/modules/core/test/medium_test_close_pair_finders.py
index 31ca67ed8c..00367afdb1 100644
--- a/modules/core/test/medium_test_close_pair_finders.py
+++ b/modules/core/test/medium_test_close_pair_finders.py
@@ -37,6 +37,11 @@ def do_test_points(self, cpf, num, rmin, rmax):
         print("searching")
         cps = cpf.get_close_pairs(m, ps)
         print("done ")
+        # Coerce from numpy.array to plain Python array
+        if IMP.IMP_KERNEL_HAS_NUMPY:
+            cps = [(IMP.ParticleIndex(p[0]), IMP.ParticleIndex(p[1]))
+                   for p in cps]
+            ps = [IMP.ParticleIndex(p) for p in ps]
         self._check_close_pairs(m, ps, dist, cps)
         print("Done with all test")
 
@@ -172,6 +177,9 @@ def test_rigid(self):
         cpf = IMP.core.RigidClosePairsFinder()
         cpf.set_distance(dist)
         cps = cpf.get_close_pairs(m, fps)
+        if IMP.IMP_KERNEL_HAS_NUMPY:
+            cps = [(IMP.ParticleIndex(p[0]), IMP.ParticleIndex(p[1]))
+                   for p in cps]
         self._check_abiclose_pairs(m, free_ps, free_ps, dist, cps)
         self._check_abiclose_pairs(m, free_ps, rbpsa, dist, cps)
         self._check_abiclose_pairs(m, free_ps, rbpsb, dist, cps)
diff --git a/modules/core/test/medium_test_non_rigid.py b/modules/core/test/medium_test_non_rigid.py
index 13eddd4ef3..065b254d61 100644
--- a/modules/core/test/medium_test_non_rigid.py
+++ b/modules/core/test/medium_test_non_rigid.py
@@ -49,6 +49,10 @@ def _check_close_pairs(self, m, cpcpps):
         m.update()
         ps = [p for p in m.get_particle_indexes()
               if not IMP.core.RigidBody.get_is_setup(m, p)]
+        if IMP.IMP_KERNEL_HAS_NUMPY:
+            cpcpps = [(IMP.ParticleIndex(p[0]),
+                       IMP.ParticleIndex(p[1])) for p in cpcpps]
+            ps = [IMP.ParticleIndex(p) for p in ps]
         # print cpcpps
         for i in range(0, len(ps)):
             if IMP.core.NonRigidMember.get_is_setup(m, ps[i]):
diff --git a/modules/core/test/test_mccg.py b/modules/core/test/test_mccg.py
index c56b8d9649..29d0cbf847 100644
--- a/modules/core/test/test_mccg.py
+++ b/modules/core/test/test_mccg.py
@@ -16,6 +16,9 @@ def check_model(self, m, sf, lsc, lpc):
             m.get_particle(pi0).show()
         self.assertLessEqual(s, max_score)
         alli = lpc.get_contents()
+        # Coerce from numpy.array to plain Python array
+        if IMP.IMP_KERNEL_HAS_NUMPY:
+            alli = [(p[0], p[1]) for p in alli]
         for pi0 in lsc.get_contents():
             for pi1 in lsc.get_contents():
                 if pi0 != pi1:
diff --git a/modules/core/test/test_normal_mover.py b/modules/core/test/test_normal_mover.py
index c691c72442..cfe02856bd 100644
--- a/modules/core/test/test_normal_mover.py
+++ b/modules/core/test/test_normal_mover.py
@@ -26,6 +26,8 @@ def test_propose(self):
         result = mv.propose()
         new = m.get_attribute(att, pa)
         parts = result.get_moved_particles()
+        if IMP.IMP_KERNEL_HAS_NUMPY:
+            parts = [IMP.ParticleIndex(p) for p in parts]
         self.assertEqual(len(parts), 1)
         self.assertEqual(parts[0], pa)
         self.assertTrue(abs(old - new) > 1e-7)
diff --git a/modules/core/test/test_rigid_bodies.py b/modules/core/test/test_rigid_bodies.py
index 992933f712..ea886e2b63 100644
--- a/modules/core/test/test_rigid_bodies.py
+++ b/modules/core/test/test_rigid_bodies.py
@@ -111,15 +111,16 @@ def test_get_members(self):
         # Rigid members/bodies
         self.assertEqual(rb.get_rigid_members(), [rigid_member, rigid_body])
         # All members, rigid/nonrigid, member/body
-        self.assertEqual(rb.get_member_indexes(),
-                         IMP.get_indexes([rigid_member, non_rigid_member,
-                                          rigid_body, non_rigid_body]))
+        self.assertEqual(list(rb.get_member_indexes()),
+                         list(IMP.get_indexes([rigid_member, non_rigid_member,
+                                               rigid_body, non_rigid_body])))
         # Rigid/nonrigid members
-        self.assertEqual(rb.get_member_particle_indexes(),
-                         IMP.get_indexes([rigid_member, non_rigid_member]))
+        self.assertEqual(
+            list(rb.get_member_particle_indexes()),
+            list(IMP.get_indexes([rigid_member, non_rigid_member])))
         # Rigid/nonrigid bodies
-        self.assertEqual(rb.get_body_member_particle_indexes(),
-                         IMP.get_indexes([rigid_body, non_rigid_body]))
+        self.assertEqual(list(rb.get_body_member_particle_indexes()),
+                         list(IMP.get_indexes([rigid_body, non_rigid_body])))
 
     def test_create_one_from_pdb(self):
         """Testing create_rigid_bodies"""
diff --git a/modules/kernel/test/test_attributes.py b/modules/kernel/test/test_attributes.py
index ebfb737419..4644490393 100644
--- a/modules/kernel/test/test_attributes.py
+++ b/modules/kernel/test/test_attributes.py
@@ -34,7 +34,8 @@ def test_no_model(self):
         self.assertEqual(m.get_attribute(ik, p.get_index()), 1)
         pisk = IMP.ParticleIndexesKey("hi")
         m.add_attribute(pisk, p.get_index(), [p.get_index()])
-        self.assertEqual(m.get_attribute(pisk, p.get_index()), [p.get_index()])
+        self.assertNumPyParticleIndexesEqual(
+            m.get_attribute(pisk, p.get_index()), [p.get_index()])
         pik = IMP.ParticleIndexKey("hi")
         m.add_attribute(pik, p.get_index(), p.get_index())
         self.assertEqual(m.get_attribute(pik, p.get_index()), p.get_index())
diff --git a/modules/kernel/test/test_particle_index.py b/modules/kernel/test/test_particle_index.py
index bfe2008e41..68d83e5413 100644
--- a/modules/kernel/test/test_particle_index.py
+++ b/modules/kernel/test/test_particle_index.py
@@ -17,7 +17,7 @@ def test_indexes(self):
         """Check that ParticleIndexesAdaptor works"""
         pis = [IMP.ParticleIndex(i) for i in range(0, 10)]
         opis = IMP._take_particle_indexes_adaptor(pis)
-        self.assertEqual(pis, opis)
+        self.assertNumPyParticleIndexesEqual(opis, pis)
 
     def test_coerce_particle_to_index(self):
         """Check that Particle is coerced to ParticleIndex in Python"""
@@ -62,13 +62,14 @@ def test_coerce_tuples_list_to_index(self):
         d2 = IMP.core.XYZ.setup_particle(m, pi2)
         c = IMP.container.ListPairContainer(m, [(pi1, pi2)])
         c.set_was_used(True)
-        self.assertEqual(c.get_indexes(), [(pi1,pi2)])
+        self.assertNumPyParticleIndexPairsEqual(c.get_indexes(), [(pi1,pi2)])
         c = IMP.container.ListPairContainer(m, [(p1, p2)])
         c.set_was_used(True)
-        self.assertEqual(c.get_indexes(), [(pi1,pi2)])
+        self.assertNumPyParticleIndexPairsEqual(c.get_indexes(), [(pi1,pi2)])
         c = IMP.container.ListPairContainer(m, [(d1, d2)])
         c.set_was_used(True)
-        self.assertEqual(c.get_indexes(), [(pi1,pi2)])
+        self.assertNumPyParticleIndexPairsEqual(c.get_indexes(), [(pi1,pi2)])
+
 
 if __name__ == '__main__':
     IMP.test.main()
diff --git a/modules/kernel/test/test_restraint_info.py b/modules/kernel/test/test_restraint_info.py
index 81a80d4d79..ff8861390b 100644
--- a/modules/kernel/test/test_restraint_info.py
+++ b/modules/kernel/test/test_restraint_info.py
@@ -103,7 +103,8 @@ def test_particle_indexes(self):
         self.assertEqual(ri.get_number_of_particle_indexes(), 1)
         self.assertEqual(ri.get_particle_indexes_key(0), "test pis")
         v = ri.get_particle_indexes_value(0)
-        self.assertEqual(v, [p1.get_index(), p2.get_index()])
+        self.assertNumPyParticleIndexesEqual(
+            v, [p1.get_index(), p2.get_index()])
 
 if __name__ == '__main__':
     IMP.test.main()
diff --git a/modules/test/pyext/src/__init__.py b/modules/test/pyext/src/__init__.py
index 41176df0a9..9a45b4dc24 100644
--- a/modules/test/pyext/src/__init__.py
+++ b/modules/test/pyext/src/__init__.py
@@ -21,6 +21,9 @@
 import pickle
 import contextlib
 import subprocess
+if IMP.IMP_KERNEL_HAS_NUMPY:
+    import numpy
+    import numpy.testing
 
 
 # Expose some unittest decorators for convenience
@@ -233,6 +236,26 @@ def assertXYZDerivativesInTolerance(self, sf, xyz, tolerance=0,
         self.assertAlmostEqual(derivs[2], num_derivs[2],
                                delta=max(tolerance, abs(derivs[2]) * pct))
 
+    def assertNumPyParticleIndexesEqual(self, numpy_pis, exp_pis):
+        """Fail if the given numpy array of particle indexes
+           doesn't match expected"""
+        if IMP.IMP_KERNEL_HAS_NUMPY:
+            self.assertIsInstance(numpy_pis, numpy.ndarray)
+            self.assertEqual([IMP.ParticleIndex(p) for p in numpy_pis], exp_pis)
+        else:
+            self.assertEqual(numpy_pis, exp_pis)
+
+    def assertNumPyParticleIndexPairsEqual(self, numpy_pis, exp_pis):
+        """Fail if the given numpy array of particle index pairs
+           doesn't match expected"""
+        if IMP.IMP_KERNEL_HAS_NUMPY:
+            self.assertIsInstance(numpy_pis, numpy.ndarray)
+            self.assertEqual(
+                [(IMP.ParticleIndex(p[0]), IMP.ParticleIndex(p[1]))
+                for p in numpy_pis], exp_pis)
+        else:
+            self.assertEqual(numpy_pis, exp_pis)
+
     def assertSequenceAlmostEqual(self, first, second, places=None, msg=None,
                                   delta=None):
         """Fail if the difference between any two items in the two sequences
diff --git a/tools/build/container_templates/test.py b/tools/build/container_templates/test.py
index 80d05c822d..06c24275f8 100644
--- a/tools/build/container_templates/test.py
+++ b/tools/build/container_templates/test.py
@@ -130,6 +130,11 @@ def test_set(self):
                 lcc.add(t)
                 cs.append(t)
         ret = c.get_contents()
+        if IMP.IMP_KERNEL_HAS_NUMPY:
+            if "FUNCTIONNAME" == "particle":
+                ret = [IMP.ParticleIndex(p) for p in ret]
+            else:
+                ret = [tuple(IMP.ParticleIndex(p) for p in ps) for ps in ret]
         for pi in cs:
             self.assertIn(pi, ret)
         ret.sort()

From e512f83e8830a7efcc053d24e67ada365c31a9ae Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 3 Aug 2021 18:42:59 -0700
Subject: [PATCH 089/250] Return ParticleIndex as numpy.int32

If we are building with numpy, have any
functions that return a ParticleIndex
actually return a plain integer (numpy.int32).
This makes it easier to work together with
ParticleIndexes returned from other functions
(which are numpy arrays of numpy.int32 objects).
---
 modules/kernel/include/internal/swig_helpers.h  | 9 +++++++++
 modules/kernel/pyext/include/IMP_kernel.types.i | 7 +++++++
 2 files changed, 16 insertions(+)

diff --git a/modules/kernel/include/internal/swig_helpers.h b/modules/kernel/include/internal/swig_helpers.h
index ba15e39899..187d847d02 100644
--- a/modules/kernel/include/internal/swig_helpers.h
+++ b/modules/kernel/include/internal/swig_helpers.h
@@ -115,6 +115,15 @@ struct Convert<ParticleIndex> : public ConvertValueBase<ParticleIndex> {
     }
     return 1;
   }
+
+#if IMP_KERNEL_HAS_NUMPY
+  template <class SwigData>
+  static PyObject* create_python_object(ParticleIndex f, SwigData, int) {
+    int ind = f.get_index();
+    return PyArray_Scalar(&ind, PyArray_DescrFromType(NPY_INT), NULL);
+  }
+#endif
+
 };
 
 template <class T>
diff --git a/modules/kernel/pyext/include/IMP_kernel.types.i b/modules/kernel/pyext/include/IMP_kernel.types.i
index cce967cee3..6b18956cdb 100644
--- a/modules/kernel/pyext/include/IMP_kernel.types.i
+++ b/modules/kernel/pyext/include/IMP_kernel.types.i
@@ -86,6 +86,13 @@
     $1=0;
   }
 }
+
+#ifdef IMP_KERNEL_HAS_NUMPY
+%typemap(out) IMP::ParticleIndex {
+  $result = Convert<IMP::ParticleIndex >::create_python_object($1, $descriptor(IMP::ParticleIndex*), SWIG_POINTER_OWN);
+}
+#endif
+
 /* Older SWIG doesn't realize that ::IMP::ParticleIndex (e.g. as emitted
    by the IMP_DECORATOR_SETUP* macros) is the same as IMP::ParticleIndex,
    so copy the typemaps. */

From d16ca132cfc19ef1502c0d5e8a8d16c47997393a Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 3 Aug 2021 21:13:36 -0700
Subject: [PATCH 090/250] Equate ParticleIndex with numpy.int32

When using NumPy, make ParticleIndex the
same type as numpy.int32 so that we never
have any issues mapping one to the other.
---
 modules/kernel/pyext/IMP_kernel.numpy.i | 11 +++++++++++
 1 file changed, 11 insertions(+)

diff --git a/modules/kernel/pyext/IMP_kernel.numpy.i b/modules/kernel/pyext/IMP_kernel.numpy.i
index 3e7d37413b..ebde440101 100644
--- a/modules/kernel/pyext/IMP_kernel.numpy.i
+++ b/modules/kernel/pyext/IMP_kernel.numpy.i
@@ -194,3 +194,14 @@ PyObject *_get_sphere_derivatives_numpy(IMP::Model *m, PyObject *m_pyobj)
         return _get_sphere_derivatives_numpy(self, self)
   %}
 }
+
+// Always treat particle indexes as numpy.int32 when using numpy
+#ifdef IMP_KERNEL_HAS_NUMPY
+%pythoncode %{
+try:
+    import numpy
+    ParticleIndex = numpy.int32
+except ImportError:
+    pass
+%}
+#endif

From 00bae6f537c109e54fc15cc777cb59b8776e3cc7 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 3 Aug 2021 21:20:07 -0700
Subject: [PATCH 091/250] More test fixes for particle index numpy arrays

Now that ParticleIndexes is returned as a NumPy
array, we can no longer use assertEqual to compare
two ParticleIndexes objects (as NumPy will do an
elementwise comparison, not want we want). Provide
an IMP.test method to compare two arrays which -
when we build with NumPy - uses numpy.testing to
compare the arrays instead. Also modify any use
of 'if pair in ParticleIndexPairs' since the 'in'
operator works differently in NumPy; the rough
equivalent might be
(pair==ParticleIndexPairs).all(axis=1).any()
---
 modules/atom/test/test_selection_type.py      | 11 +++++-----
 modules/container/test/test_distribute.py     | 13 +++--------
 .../test/medium_test_close_pair_finders.py    |  9 +++-----
 modules/core/test/medium_test_non_rigid.py    |  4 +---
 modules/core/test/test_mccg.py                |  2 +-
 modules/core/test/test_normal_mover.py        |  2 --
 modules/core/test/test_rigid_bodies.py        | 18 ++++++++-------
 .../test/medium_test_gaussian_em_restraint.py |  5 +++--
 modules/kernel/test/test_attributes.py        |  3 +--
 modules/kernel/test/test_particle_index.py    |  8 +++----
 modules/kernel/test/test_restraint_info.py    |  2 +-
 modules/test/pyext/src/__init__.py            | 22 +++++--------------
 tools/build/container_templates/test.py       |  7 ++----
 13 files changed, 39 insertions(+), 67 deletions(-)

diff --git a/modules/atom/test/test_selection_type.py b/modules/atom/test/test_selection_type.py
index d6ac87b850..9ae2c7f21d 100644
--- a/modules/atom/test/test_selection_type.py
+++ b/modules/atom/test/test_selection_type.py
@@ -57,8 +57,7 @@ def test_trivial(self):
         # Must specify either hierarchy or hierarchies
         self.assertRaises(ValueError, IMP.atom.Selection)
         s = IMP.atom.Selection([rh])
-        self.assertNumPyParticleIndexesEqual(
-            s.get_selected_particle_indexes(), [ci])
+        self.assertNumPyArrayEqual(s.get_selected_particle_indexes(), [ci])
 
     def test_one(self):
         """Test selection of N and C termini"""
@@ -150,10 +149,10 @@ def test_two(self):
         ntm = IMP.atom.Mass.setup_particle(m, cti, 1)
         cc.add_child(cth)
         cs = IMP.atom.Selection([rh], terminus=IMP.atom.Selection.C)
-        self.assertNumPyParticleIndexesEqual(
+        self.assertNumPyArrayEqual(
             cs.get_selected_particle_indexes(), [cti])
         ns = IMP.atom.Selection([rh], terminus=IMP.atom.Selection.N)
-        self.assertNumPyParticleIndexesEqual(
+        self.assertNumPyArrayEqual(
             ns.get_selected_particle_indexes(), [nti])
 
     def test_mixed_coordinates(self):
@@ -198,8 +197,8 @@ def test_mol(self):
         self.assertEqual(len(s0.get_selected_particle_indexes()), 68)
         self.assertEqual(len(s1.get_selected_particle_indexes()), 68)
         self.assertEqual(
-            len(set(s0.get_selected_particle_indexes()
-                + s1.get_selected_particle_indexes())),
+            len(set(list(s0.get_selected_particle_indexes())
+                    + list(s1.get_selected_particle_indexes()))),
             2 * 68)
 
     def test_residues_rb(self):
diff --git a/modules/container/test/test_distribute.py b/modules/container/test/test_distribute.py
index 66aa72427d..5ede81628c 100644
--- a/modules/container/test/test_distribute.py
+++ b/modules/container/test/test_distribute.py
@@ -50,16 +50,9 @@ def test_allp(self):
         pse = [ps[i * 2] for i in range(len(ps) // 2)]
         pso = [ps[i * 2 + 1] for i in range(len(ps) // 2)]
         psf = [ps[0], ps[5]]
-        evenc = even.get_contents()
-        oddc = odd.get_contents()
-        zfc = zf.get_contents()
-        if IMP.IMP_KERNEL_HAS_NUMPY:
-            evenc = [IMP.ParticleIndex(p) for p in evenc]
-            oddc = [IMP.ParticleIndex(p) for p in oddc]
-            zfc = [IMP.ParticleIndex(p) for p in zfc]
-        self.assertEqual(evenc, pse)
-        self.assertEqual(oddc, pso)
-        self.assertEqual(zfc, psf)
+        self.assertNumPyArrayEqual(even.get_contents(), pse)
+        self.assertNumPyArrayEqual(odd.get_contents(), pso)
+        self.assertNumPyArrayEqual(zf.get_contents(), psf)
 
 
 if __name__ == '__main__':
diff --git a/modules/core/test/medium_test_close_pair_finders.py b/modules/core/test/medium_test_close_pair_finders.py
index 00367afdb1..e653ae2d85 100644
--- a/modules/core/test/medium_test_close_pair_finders.py
+++ b/modules/core/test/medium_test_close_pair_finders.py
@@ -30,7 +30,7 @@ def do_test_points(self, cpf, num, rmin, rmax):
         # cpf.set_radius_key(rk)
         cpf.set_distance(dist)
         m = IMP.Model()
-        ps = IMP.get_indexes(self.create_particles_in_box(m, num))
+        ps = list(IMP.get_indexes(self.create_particles_in_box(m, num)))
         for i in range(0, len(ps)):
             IMP.core.XYZR.setup_particle(m, ps[i], random.uniform(rmin, rmax))
         # out.show()
@@ -39,9 +39,7 @@ def do_test_points(self, cpf, num, rmin, rmax):
         print("done ")
         # Coerce from numpy.array to plain Python array
         if IMP.IMP_KERNEL_HAS_NUMPY:
-            cps = [(IMP.ParticleIndex(p[0]), IMP.ParticleIndex(p[1]))
-                   for p in cps]
-            ps = [IMP.ParticleIndex(p) for p in ps]
+            cps = [tuple(p) for p in cps]
         self._check_close_pairs(m, ps, dist, cps)
         print("Done with all test")
 
@@ -178,8 +176,7 @@ def test_rigid(self):
         cpf.set_distance(dist)
         cps = cpf.get_close_pairs(m, fps)
         if IMP.IMP_KERNEL_HAS_NUMPY:
-            cps = [(IMP.ParticleIndex(p[0]), IMP.ParticleIndex(p[1]))
-                   for p in cps]
+            cps = [tuple(p) for p in cps]
         self._check_abiclose_pairs(m, free_ps, free_ps, dist, cps)
         self._check_abiclose_pairs(m, free_ps, rbpsa, dist, cps)
         self._check_abiclose_pairs(m, free_ps, rbpsb, dist, cps)
diff --git a/modules/core/test/medium_test_non_rigid.py b/modules/core/test/medium_test_non_rigid.py
index 065b254d61..181d750c8c 100644
--- a/modules/core/test/medium_test_non_rigid.py
+++ b/modules/core/test/medium_test_non_rigid.py
@@ -50,9 +50,7 @@ def _check_close_pairs(self, m, cpcpps):
         ps = [p for p in m.get_particle_indexes()
               if not IMP.core.RigidBody.get_is_setup(m, p)]
         if IMP.IMP_KERNEL_HAS_NUMPY:
-            cpcpps = [(IMP.ParticleIndex(p[0]),
-                       IMP.ParticleIndex(p[1])) for p in cpcpps]
-            ps = [IMP.ParticleIndex(p) for p in ps]
+            cpcpps = [tuple(p) for p in cpcpps]
         # print cpcpps
         for i in range(0, len(ps)):
             if IMP.core.NonRigidMember.get_is_setup(m, ps[i]):
diff --git a/modules/core/test/test_mccg.py b/modules/core/test/test_mccg.py
index 29d0cbf847..3fc5daeb9c 100644
--- a/modules/core/test/test_mccg.py
+++ b/modules/core/test/test_mccg.py
@@ -18,7 +18,7 @@ def check_model(self, m, sf, lsc, lpc):
         alli = lpc.get_contents()
         # Coerce from numpy.array to plain Python array
         if IMP.IMP_KERNEL_HAS_NUMPY:
-            alli = [(p[0], p[1]) for p in alli]
+            alli = [tuple(p) for p in alli]
         for pi0 in lsc.get_contents():
             for pi1 in lsc.get_contents():
                 if pi0 != pi1:
diff --git a/modules/core/test/test_normal_mover.py b/modules/core/test/test_normal_mover.py
index cfe02856bd..c691c72442 100644
--- a/modules/core/test/test_normal_mover.py
+++ b/modules/core/test/test_normal_mover.py
@@ -26,8 +26,6 @@ def test_propose(self):
         result = mv.propose()
         new = m.get_attribute(att, pa)
         parts = result.get_moved_particles()
-        if IMP.IMP_KERNEL_HAS_NUMPY:
-            parts = [IMP.ParticleIndex(p) for p in parts]
         self.assertEqual(len(parts), 1)
         self.assertEqual(parts[0], pa)
         self.assertTrue(abs(old - new) > 1e-7)
diff --git a/modules/core/test/test_rigid_bodies.py b/modules/core/test/test_rigid_bodies.py
index ea886e2b63..6250a7a807 100644
--- a/modules/core/test/test_rigid_bodies.py
+++ b/modules/core/test/test_rigid_bodies.py
@@ -111,16 +111,18 @@ def test_get_members(self):
         # Rigid members/bodies
         self.assertEqual(rb.get_rigid_members(), [rigid_member, rigid_body])
         # All members, rigid/nonrigid, member/body
-        self.assertEqual(list(rb.get_member_indexes()),
-                         list(IMP.get_indexes([rigid_member, non_rigid_member,
-                                               rigid_body, non_rigid_body])))
+        self.assertNumPyArrayEqual(
+            rb.get_member_indexes(),
+            IMP.get_indexes([rigid_member, non_rigid_member,
+                             rigid_body, non_rigid_body]))
         # Rigid/nonrigid members
-        self.assertEqual(
-            list(rb.get_member_particle_indexes()),
-            list(IMP.get_indexes([rigid_member, non_rigid_member])))
+        self.assertNumPyArrayEqual(
+            rb.get_member_particle_indexes(),
+            IMP.get_indexes([rigid_member, non_rigid_member]))
         # Rigid/nonrigid bodies
-        self.assertEqual(list(rb.get_body_member_particle_indexes()),
-                         list(IMP.get_indexes([rigid_body, non_rigid_body])))
+        self.assertNumPyArrayEqual(
+            rb.get_body_member_particle_indexes(),
+            IMP.get_indexes([rigid_body, non_rigid_body]))
 
     def test_create_one_from_pdb(self):
         """Testing create_rigid_bodies"""
diff --git a/modules/isd/test/medium_test_gaussian_em_restraint.py b/modules/isd/test/medium_test_gaussian_em_restraint.py
index e3815b6b66..44cffe3652 100644
--- a/modules/isd/test/medium_test_gaussian_em_restraint.py
+++ b/modules/isd/test/medium_test_gaussian_em_restraint.py
@@ -150,8 +150,9 @@ def test_info(self):
 
         self.assertEqual(s.get_number_of_particle_indexes(), 1)
         self.assertEqual(s.get_particle_indexes_key(0), "density")
-        self.assertEqual(s.get_particle_indexes_value(0),
-                [p.get_index() for p in self.density_ps])
+        self.assertNumPyArrayEqual(
+            s.get_particle_indexes_value(0),
+            [p.get_index() for p in self.density_ps])
 
         self.gem.set_density_filename('/foobar')
         s = self.gem.get_static_info()
diff --git a/modules/kernel/test/test_attributes.py b/modules/kernel/test/test_attributes.py
index 4644490393..ebfb737419 100644
--- a/modules/kernel/test/test_attributes.py
+++ b/modules/kernel/test/test_attributes.py
@@ -34,8 +34,7 @@ def test_no_model(self):
         self.assertEqual(m.get_attribute(ik, p.get_index()), 1)
         pisk = IMP.ParticleIndexesKey("hi")
         m.add_attribute(pisk, p.get_index(), [p.get_index()])
-        self.assertNumPyParticleIndexesEqual(
-            m.get_attribute(pisk, p.get_index()), [p.get_index()])
+        self.assertEqual(m.get_attribute(pisk, p.get_index()), [p.get_index()])
         pik = IMP.ParticleIndexKey("hi")
         m.add_attribute(pik, p.get_index(), p.get_index())
         self.assertEqual(m.get_attribute(pik, p.get_index()), p.get_index())
diff --git a/modules/kernel/test/test_particle_index.py b/modules/kernel/test/test_particle_index.py
index 68d83e5413..6b75b54353 100644
--- a/modules/kernel/test/test_particle_index.py
+++ b/modules/kernel/test/test_particle_index.py
@@ -17,7 +17,7 @@ def test_indexes(self):
         """Check that ParticleIndexesAdaptor works"""
         pis = [IMP.ParticleIndex(i) for i in range(0, 10)]
         opis = IMP._take_particle_indexes_adaptor(pis)
-        self.assertNumPyParticleIndexesEqual(opis, pis)
+        self.assertNumPyArrayEqual(opis, pis)
 
     def test_coerce_particle_to_index(self):
         """Check that Particle is coerced to ParticleIndex in Python"""
@@ -62,13 +62,13 @@ def test_coerce_tuples_list_to_index(self):
         d2 = IMP.core.XYZ.setup_particle(m, pi2)
         c = IMP.container.ListPairContainer(m, [(pi1, pi2)])
         c.set_was_used(True)
-        self.assertNumPyParticleIndexPairsEqual(c.get_indexes(), [(pi1,pi2)])
+        self.assertNumPyArrayEqual(c.get_indexes(), [(pi1,pi2)])
         c = IMP.container.ListPairContainer(m, [(p1, p2)])
         c.set_was_used(True)
-        self.assertNumPyParticleIndexPairsEqual(c.get_indexes(), [(pi1,pi2)])
+        self.assertNumPyArrayEqual(c.get_indexes(), [(pi1,pi2)])
         c = IMP.container.ListPairContainer(m, [(d1, d2)])
         c.set_was_used(True)
-        self.assertNumPyParticleIndexPairsEqual(c.get_indexes(), [(pi1,pi2)])
+        self.assertNumPyArrayEqual(c.get_indexes(), [(pi1,pi2)])
 
 
 if __name__ == '__main__':
diff --git a/modules/kernel/test/test_restraint_info.py b/modules/kernel/test/test_restraint_info.py
index ff8861390b..44d8f57a23 100644
--- a/modules/kernel/test/test_restraint_info.py
+++ b/modules/kernel/test/test_restraint_info.py
@@ -103,7 +103,7 @@ def test_particle_indexes(self):
         self.assertEqual(ri.get_number_of_particle_indexes(), 1)
         self.assertEqual(ri.get_particle_indexes_key(0), "test pis")
         v = ri.get_particle_indexes_value(0)
-        self.assertNumPyParticleIndexesEqual(
+        self.assertNumPyArrayEqual(
             v, [p1.get_index(), p2.get_index()])
 
 if __name__ == '__main__':
diff --git a/modules/test/pyext/src/__init__.py b/modules/test/pyext/src/__init__.py
index 9a45b4dc24..120fdff287 100644
--- a/modules/test/pyext/src/__init__.py
+++ b/modules/test/pyext/src/__init__.py
@@ -236,25 +236,13 @@ def assertXYZDerivativesInTolerance(self, sf, xyz, tolerance=0,
         self.assertAlmostEqual(derivs[2], num_derivs[2],
                                delta=max(tolerance, abs(derivs[2]) * pct))
 
-    def assertNumPyParticleIndexesEqual(self, numpy_pis, exp_pis):
-        """Fail if the given numpy array of particle indexes
-           doesn't match expected"""
+    def assertNumPyArrayEqual(self, numpy_array, exp_array):
+        """Fail if the given numpy array doesn't match expected"""
         if IMP.IMP_KERNEL_HAS_NUMPY:
-            self.assertIsInstance(numpy_pis, numpy.ndarray)
-            self.assertEqual([IMP.ParticleIndex(p) for p in numpy_pis], exp_pis)
+            self.assertIsInstance(numpy_array, numpy.ndarray)
+            numpy.testing.assert_array_equal(numpy_array, exp_array)
         else:
-            self.assertEqual(numpy_pis, exp_pis)
-
-    def assertNumPyParticleIndexPairsEqual(self, numpy_pis, exp_pis):
-        """Fail if the given numpy array of particle index pairs
-           doesn't match expected"""
-        if IMP.IMP_KERNEL_HAS_NUMPY:
-            self.assertIsInstance(numpy_pis, numpy.ndarray)
-            self.assertEqual(
-                [(IMP.ParticleIndex(p[0]), IMP.ParticleIndex(p[1]))
-                for p in numpy_pis], exp_pis)
-        else:
-            self.assertEqual(numpy_pis, exp_pis)
+            self.assertEqual(numpy_array, exp_array)
 
     def assertSequenceAlmostEqual(self, first, second, places=None, msg=None,
                                   delta=None):
diff --git a/tools/build/container_templates/test.py b/tools/build/container_templates/test.py
index 06c24275f8..8405a869fb 100644
--- a/tools/build/container_templates/test.py
+++ b/tools/build/container_templates/test.py
@@ -130,11 +130,8 @@ def test_set(self):
                 lcc.add(t)
                 cs.append(t)
         ret = c.get_contents()
-        if IMP.IMP_KERNEL_HAS_NUMPY:
-            if "FUNCTIONNAME" == "particle":
-                ret = [IMP.ParticleIndex(p) for p in ret]
-            else:
-                ret = [tuple(IMP.ParticleIndex(p) for p in ps) for ps in ret]
+        if IMP.IMP_KERNEL_HAS_NUMPY and "FUNCTIONNAME" != "particle":
+            ret = [tuple(IMP.ParticleIndex(p) for p in ps) for ps in ret]
         for pi in cs:
             self.assertIn(pi, ret)
         ret.sort()

From d3fa4c6c2eef5812562011f1c3654d68a8ce9732 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 4 Aug 2021 10:04:25 -0700
Subject: [PATCH 092/250] Add exception for assertNumPyArrayEqual method

---
 modules/test/test/standards_exceptions | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/modules/test/test/standards_exceptions b/modules/test/test/standards_exceptions
index a49dc617dc..8bdd002656 100644
--- a/modules/test/test/standards_exceptions
+++ b/modules/test/test/standards_exceptions
@@ -26,6 +26,7 @@ exceptions.extend([
    'ApplicationTestCase.assertRaisesInternalException',
    'ApplicationTestCase.assertNotImplemented',
    'ApplicationTestCase.assertXYZDerivativesInTolerance',
+   'ApplicationTestCase.assertNumPyArrayEqual',
    'ApplicationTestCase.check_runnable_python_module',
    'ApplicationTestCase.check_unary_function_deriv',
    'ApplicationTestCase.check_unary_function_min',
@@ -51,6 +52,7 @@ exceptions.extend([
    'TestCase.assertRaisesInternalException',
    'TestCase.assertNotImplemented',
    'TestCase.assertXYZDerivativesInTolerance',
+   'TestCase.assertNumPyArrayEqual',
    'TestCase.check_runnable_python_module',
    'TestCase.check_unary_function_deriv',
    'TestCase.check_unary_function_min',

From 80ae84ee7dd4526c5e8c3f05b67bb9c705f26a62 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 4 Aug 2021 10:17:38 -0700
Subject: [PATCH 093/250] Get latest PMI1

---
 modules/pmi1 | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/pmi1 b/modules/pmi1
index 46e8482bea..fbdbbdf596 160000
--- a/modules/pmi1
+++ b/modules/pmi1
@@ -1 +1 @@
-Subproject commit 46e8482bea7cfa8fac179efe8db2b1eeb93be0ae
+Subproject commit fbdbbdf5960e65959c39b0c4c0d3379935093d27

From 32c17e25551c6c660354e2c5a737aadf3b14753a Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 4 Aug 2021 13:33:28 -0700
Subject: [PATCH 094/250] Make Model numpy methods public and document

---
 modules/kernel/pyext/IMP_kernel.numpy.i | 31 +++++++++++++++----
 modules/kernel/test/test_model_numpy.py | 40 ++++++++++++-------------
 2 files changed, 46 insertions(+), 25 deletions(-)

diff --git a/modules/kernel/pyext/IMP_kernel.numpy.i b/modules/kernel/pyext/IMP_kernel.numpy.i
index ebde440101..182ce9cc9c 100644
--- a/modules/kernel/pyext/IMP_kernel.numpy.i
+++ b/modules/kernel/pyext/IMP_kernel.numpy.i
@@ -178,19 +178,40 @@ PyObject *_get_sphere_derivatives_numpy(IMP::Model *m, PyObject *m_pyobj)
 
 %extend IMP::Model {
   %pythoncode %{
-    def _get_ints_numpy(self, k):
+    def get_ints_numpy(self, k):
+        """Get the model's attribute array for IntKey k as a NumPy array.
+           The array is indexed by ParticleIndex; particles that don't have
+           this attribute will either be off the end of the array or will have
+           the value INT_MAX.
+           This is a NumPy view that shares memory with the Model. Thus,
+           any changes to values in this list will be reflected in the Model.
+           Also, if the Model attribute array moves in memory (e.g. if particles
+           or attributes are added) this array will be invalidated, so it is
+           unsafe to keep it around long term.
+        """
         return _get_ints_numpy(self, k, self)
 
-    def _get_floats_numpy(self, k):
+    def get_floats_numpy(self, k):
+        """Get the model's attribute array for FloatKey k as a NumPy array.
+           See Model::get_ints_numpy() for more details."""
         return _get_floats_numpy(self, k, self)
 
-    def _get_derivatives_numpy(self, k):
+    def get_derivatives_numpy(self, k):
+        """Get the model's attribute derivatives array for FloatKey k
+           as a NumPy array. See Model::get_ints_numpy() for more details."""
         return _get_derivatives_numpy(self, k, self)
 
-    def _get_spheres_numpy(self):
+    def get_spheres_numpy(self):
+        """Get the model's XYZR attribute arrays as NumPy arrays.
+           The attribute arrays for Cartesian coordinates and radii are
+           stored separately from those for other FloatKeys. This function
+           returns a tuple of two NumPy arrays, the first of coordinates and
+           the second of radii. See Model::get_ints_numpy() for more details."""
         return _get_spheres_numpy(self, self)
 
-    def _get_sphere_derivatives_numpy(self):
+    def get_sphere_derivatives_numpy(self):
+        """Get the model's XYZR attribute derivatives arrays as NumPy arrays.
+           See Model::get_ints_numpy() for more details."""
         return _get_sphere_derivatives_numpy(self, self)
   %}
 }
diff --git a/modules/kernel/test/test_model_numpy.py b/modules/kernel/test/test_model_numpy.py
index 6659291822..2fd481d439 100644
--- a/modules/kernel/test/test_model_numpy.py
+++ b/modules/kernel/test/test_model_numpy.py
@@ -7,7 +7,7 @@
 class Tests(IMP.test.TestCase):
 
     def test_get_derivatives_numpy(self):
-        """Test _get_derivatives_numpy method"""
+        """Test get_derivatives_numpy method"""
         m1 = IMP.Model("numpy get_derivs")
         p1 = IMP.Particle(m1)
         p2 = IMP.Particle(m1)
@@ -19,21 +19,21 @@ def test_get_derivatives_numpy(self):
         p1.add_attribute(k, 1.0)
 
         if IMP.IMP_KERNEL_HAS_NUMPY:
-            n = m1._get_derivatives_numpy(k)
+            n = m1.get_derivatives_numpy(k)
             self.assertIs(n.base, m1)
             self.assertEqual(len(n), 1) # no derivatives for p2
             self.assertAlmostEqual(n[0], 0.0, delta=1e-6)
             n[0] = 42.0
             self.assertAlmostEqual(p1.get_derivative(k), 42.0, delta=1e-6)
 
-            n = m2._get_derivatives_numpy(k)
+            n = m2.get_derivatives_numpy(k)
             self.assertIs(n.base, m2)
             self.assertEqual(len(n), 0) # no float key for this model
         else:
-            self.assertRaises(NotImplementedError, m1._get_derivatives_numpy, k)
+            self.assertRaises(NotImplementedError, m1.get_derivatives_numpy, k)
 
     def test_get_floats_numpy(self):
-        """Test _get_floats_numpy method"""
+        """Test get_floats_numpy method"""
         m1 = IMP.Model("numpy get_floats")
         p1 = IMP.Particle(m1)
         p2 = IMP.Particle(m1)
@@ -45,21 +45,21 @@ def test_get_floats_numpy(self):
         p1.add_attribute(k, 1.0)
 
         if IMP.IMP_KERNEL_HAS_NUMPY:
-            n = m1._get_floats_numpy(k)
+            n = m1.get_floats_numpy(k)
             self.assertIs(n.base, m1)
             self.assertEqual(len(n), 1) # no float attribute for p2
             self.assertAlmostEqual(n[0], 1.0, delta=1e-6)
             n[0] = 42.0
             self.assertAlmostEqual(p1.get_value(k), 42.0, delta=1e-6)
 
-            n = m2._get_floats_numpy(k)
+            n = m2.get_floats_numpy(k)
             self.assertIs(n.base, m2)
             self.assertEqual(len(n), 0) # no float key for this model
         else:
-            self.assertRaises(NotImplementedError, m1._get_floats_numpy, k)
+            self.assertRaises(NotImplementedError, m1.get_floats_numpy, k)
 
     def test_get_ints_numpy(self):
-        """Test _get_ints_numpy method"""
+        """Test get_ints_numpy method"""
         m1 = IMP.Model("numpy get_ints")
         p1 = IMP.Particle(m1)
         p2 = IMP.Particle(m1)
@@ -73,7 +73,7 @@ def test_get_ints_numpy(self):
         p2.add_attribute(k, 2)
 
         if IMP.IMP_KERNEL_HAS_NUMPY:
-            n = m1._get_ints_numpy(k)
+            n = m1.get_ints_numpy(k)
             self.assertIs(n.base, m1)
             self.assertEqual(len(n), 2) # no int attribute for p3
             self.assertEqual(n[0], 1)
@@ -83,14 +83,14 @@ def test_get_ints_numpy(self):
             self.assertEqual(p1.get_value(k), 42)
             self.assertEqual(p2.get_value(k), 24)
 
-            n = m2._get_ints_numpy(k)
+            n = m2.get_ints_numpy(k)
             self.assertIs(n.base, m2)
             self.assertEqual(len(n), 0) # no int key for this model
         else:
-            self.assertRaises(NotImplementedError, m1._get_ints_numpy, k)
+            self.assertRaises(NotImplementedError, m1.get_ints_numpy, k)
 
     def test_get_spheres_numpy(self):
-        """Test _get_spheres_numpy method"""
+        """Test get_spheres_numpy method"""
         m1 = IMP.Model("numpy get_spheres")
         p1 = IMP.Particle(m1)
         p2 = IMP.Particle(m1)
@@ -108,7 +108,7 @@ def test_get_spheres_numpy(self):
         d2.set_radius(8)
 
         if IMP.IMP_KERNEL_HAS_NUMPY:
-            c, r = m1._get_spheres_numpy()
+            c, r = m1.get_spheres_numpy()
             for n in c, r:
                 self.assertIs(n.base, m1)
                 self.assertEqual(len(n), 2) # no sphere attribute for p3
@@ -126,15 +126,15 @@ def test_get_spheres_numpy(self):
             c[1][0] = 24.0
             self.assertAlmostEqual(d2.get_coordinates()[0], 24.0, delta=1e-6)
 
-            c, r = m2._get_spheres_numpy()
+            c, r = m2.get_spheres_numpy()
             for n in c, r:
                 self.assertIs(n.base, m2)
                 self.assertEqual(len(n), 0) # no spheres for this model
         else:
-            self.assertRaises(NotImplementedError, m1._get_spheres_numpy)
+            self.assertRaises(NotImplementedError, m1.get_spheres_numpy)
 
     def test_get_sphere_derivatives_numpy(self):
-        """Test _get_sphere_derivatives_numpy method"""
+        """Test get_sphere_derivatives_numpy method"""
         m1 = IMP.Model("numpy get_sphere_derivatives")
         p1 = IMP.Particle(m1)
         p2 = IMP.Particle(m1)
@@ -147,7 +147,7 @@ def test_get_sphere_derivatives_numpy(self):
         d2 = IMP.core.XYZR.setup_particle(p2)
 
         if IMP.IMP_KERNEL_HAS_NUMPY:
-            c, r = m1._get_sphere_derivatives_numpy()
+            c, r = m1.get_sphere_derivatives_numpy()
             for n in c, r:
                 self.assertIs(n.base, m1)
                 self.assertEqual(len(n), 2) # no sphere attribute for p3
@@ -155,13 +155,13 @@ def test_get_sphere_derivatives_numpy(self):
             c[1][1] = 24.0
             self.assertAlmostEqual(d1.get_derivatives()[0], 42.0, delta=1e-6)
             self.assertAlmostEqual(d2.get_derivatives()[1], 24.0, delta=1e-6)
-            c, r = m2._get_sphere_derivatives_numpy()
+            c, r = m2.get_sphere_derivatives_numpy()
             for n in c, r:
                 self.assertIs(n.base, m2)
                 self.assertEqual(len(n), 0) # no spheres for this model
         else:
             self.assertRaises(NotImplementedError,
-                              m1._get_sphere_derivatives_numpy)
+                              m1.get_sphere_derivatives_numpy)
 
 
 if __name__ == '__main__':

From 4e708680db18e7ee59cd02045d951338a0656f39 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 4 Aug 2021 13:59:54 -0700
Subject: [PATCH 095/250] Add an example of using NumPy with IMP

---
 modules/core/examples/model_numpy.py | 39 ++++++++++++++++++++++++++++
 1 file changed, 39 insertions(+)
 create mode 100644 modules/core/examples/model_numpy.py

diff --git a/modules/core/examples/model_numpy.py b/modules/core/examples/model_numpy.py
new file mode 100644
index 0000000000..2a87645e44
--- /dev/null
+++ b/modules/core/examples/model_numpy.py
@@ -0,0 +1,39 @@
+## \example core/model_numpy.py
+# Demonstration using NumPy to manipulate IMP data.
+#
+
+import IMP.example
+import sys
+
+IMP.setup_from_argv(sys.argv, "model numpy")
+
+(m, c) = IMP.example.create_model_and_particles()
+
+if not IMP.IMP_KERNEL_HAS_NUMPY:
+    print("IMP was not built with NumPy support.")
+    sys.exit(0)
+
+# Get all pairs of particles that are close to each other
+nbl = IMP.container.ClosePairContainer(c, 0, 2)
+m.update()
+
+# contents is a NumPy 2xN array of the indices of each close particle pair
+contents = nbl.get_contents()
+
+# Get direct access to the coordinates and radii of all particles in the Model.
+# These are NumPy views, not copies; they share memory with the Model. This
+# allows us very efficient read-write access to the data, with a caveat: if
+# the Model memory is reallocated (typically when particles or attributes are
+# added) any views become invalid, so we should not keep them around long-term.
+# These arrays are indexed by particle indices.
+xyz, r = m.get_spheres_numpy()
+
+import numpy
+
+# Once we have coordinates and particle indices, we can use any NumPy
+# function on them. Here we calculate the Cartesian distance between each
+# pair of particles in the close pair container.
+dists = numpy.linalg.norm(numpy.diff(xyz[contents], axis=1), axis=2).flatten()
+
+print("Distribution of center-center particle distances:")
+print("Min %.2f Max %.2f Mean %.2f" % (dists.min(), dists.max(), dists.mean()))

From ae47a3732bfae57ff3004875a6b90ca72562c2b8 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 4 Aug 2021 15:47:08 -0700
Subject: [PATCH 096/250] Recommend that IMP is built with numpy

---
 doc/manual/installation.md | 7 +++++--
 1 file changed, 5 insertions(+), 2 deletions(-)

diff --git a/doc/manual/installation.md b/doc/manual/installation.md
index aa3d223d5a..e43f7920c0 100644
--- a/doc/manual/installation.md
+++ b/doc/manual/installation.md
@@ -35,6 +35,9 @@ In order to build %IMP from source, you will need:
 The following prerequisites are _optional_; without them some parts of %IMP
 will not build, and some will not function optimally.
 
+- The [NumPy](https://numpy.org/) library is strongly recommended; if %IMP
+  is built with NumPy, many operations that transfer data between C++ and Python
+  become more efficient.
 - [Doxygen](http://www.doxygen.org/) (only exactly version 1.8.6 is supported)
   and [Graphviz](http://www.graphviz.org/): required for building
   documentation.
@@ -55,7 +58,7 @@ will not build, and some will not function optimally.
 - [Protobuf](https://github.com/google/protobuf): needed to use the
   IMP.npctransport module.
 - An [MPI](@ref IMP::mpi) library is needed to use the IMP.mpi module.
-- The [numpy, scipy](http://www.scipy.org/scipylib/download.html),
+- The [scipy](http://www.scipy.org/scipylib/download.html),
   [scikit-learn](http://scikit-learn.org/stable/install.html),
   and [matplotlib](http://matplotlib.org/downloads.html)
   Python libraries are also recommended.
@@ -77,7 +80,7 @@ All of the prerequisites should be available as pre-built packages for
 your Linux distribution of choice. For example, on a Fedora system the
 following should install most of the prerequisites:
 
-        sudo dnf install boost-devel gperftools-devel CGAL-devel graphviz gsl-devel cmake hdf5-devel swig fftw-devel opencv-devel
+        sudo dnf install boost-devel gperftools-devel CGAL-devel graphviz gsl-devel cmake hdf5-devel swig fftw-devel opencv-devel python3-numpy
 
 ### Getting prerequisites on a Mac {#installation_prereqs_mac}
 

From eb0dc568b99153518cc2440e3afe3276abf2fd3a Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 4 Aug 2021 15:54:59 -0700
Subject: [PATCH 097/250] Note that many functions now return NumPy arrays

---
 ChangeLog.md | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/ChangeLog.md b/ChangeLog.md
index 412c2ee522..25d2fe1312 100644
--- a/ChangeLog.md
+++ b/ChangeLog.md
@@ -6,6 +6,10 @@ ChangeLog {#changelog}
   be consistent with ClosedCubicSpline (previously it threw ModelException).
 - SAXS tools (such as `compute_rg`, `foxs`) can now read input structures
   in mmCIF format.
+- Most IMP functions that return arrays of integer or floating point values,
+  or lists of ParticleIndexes, now return NumPy arrays if IMP is built with
+  NumPy. Code that adds lists or searches for particle pairs in a list may
+  need to be modified as NumPy arrays are slightly different from Python lists.
 - The deprecated methods
   IMP::{Singleton,Pair,Triplet,Quad}Predicate::get_value() have been removed.
   Use the get_value_index() methods instead.

From 463c6a530217619ce680b68e0417ab036a1e19c4 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 4 Aug 2021 17:30:56 -0700
Subject: [PATCH 098/250] Add basic Triggers to Model

Add a simple mechanism to Model to track when
to clear and rebuild caches of derived model
properties. Any IMP module can create Triggers
in either C++ or Python and the Model tracks
the time (in number of calls to Model::update())
when each Trigger was last updated. Restraints
or ScoreStates can rebuild their caches if these
trigger update times don't match the times when
the caches were last built.
---
 modules/kernel/include/Model.h            | 58 +++++++++++++++++++++++
 modules/kernel/include/base_types.h       |  3 ++
 modules/kernel/pyext/swig.i-in            |  2 +
 modules/kernel/src/Model.cpp              |  1 +
 modules/kernel/src/Model_dependencies.cpp |  3 ++
 modules/kernel/test/test_triggers.py      | 31 ++++++++++++
 6 files changed, 98 insertions(+)
 create mode 100644 modules/kernel/test/test_triggers.py

diff --git a/modules/kernel/include/Model.h b/modules/kernel/include/Model.h
index 5751967d0b..d99b9c611a 100644
--- a/modules/kernel/include/Model.h
+++ b/modules/kernel/include/Model.h
@@ -121,9 +121,21 @@ class IMPKERNELEXPORT Model : public Object
 #endif
   // check more things on the first call
   bool first_call_;
+  // used to track time when triggers are activated
+  unsigned age_counter_;
+  // all triggers
+  Vector<unsigned> trigger_age_;
   // the stage of evaluation
   internal::Stage cur_stage_;
 
+  // update model age (can never be zero, even if it wraps)
+  void increase_age() {
+    age_counter_++;
+    if (age_counter_ == 0) {
+      age_counter_ = 1;
+    }
+  }
+
   ModelObjectsTemp get_dependency_graph_inputs(const ModelObject *mo) const;
   ModelObjectsTemp get_dependency_graph_outputs(const ModelObject *mo) const;
   bool do_get_has_dependencies(const ModelObject *mo) const {
@@ -331,6 +343,52 @@ class IMPKERNELEXPORT Model : public Object
   bool get_has_data(ModelKey mk) const;
   /** @} */
 
+  /** \name Model triggers
+
+      Triggers can be used to track when to clear and rebuild caches
+      of derived model properties. For example, a Restraint may restrain
+      two particles as a function of the number of chemical bonds between
+      them. To speed up this restraint, the bond graph can be cached; however,
+      this graph needs to be rebuilt if bonds are created or removed. This
+      can be achieved by checking that the model time (see get_age()) of the
+      cache matches the time when the 'bond added/removed' Trigger was last
+      updated (see get_trigger_last_updated()), either when the Restraint is
+      evaluated or in an associated ScoreState.
+
+      Triggers are intended for events that are rare during a typical
+      optimization. Triggers can be created by any IMP module in either C++
+      or Python by creating a new TriggerKey, much as model attributes
+      are handled. To avoid name collisions, it is recommended to prepend
+      the module and/or class name to the trigger, e.g. "atom.Bond.changed".
+
+      @{ */
+
+  //! Get the current 'model time'.
+  /** This is a number 1 or more that tracks the 'age' of the model;
+      it is incremented every time update() is called. It may wrap (and so
+      should not be assumed to always increase) but will never be 0. */
+  unsigned get_age() { return age_counter_; }
+
+  //! Get the time when the given trigger was last updated, or 0.
+  /** Return the 'model time' (as given by get_age()) when the given
+      trigger was last updated on this model, or 0 if never. */
+  unsigned get_trigger_last_updated(TriggerKey tk) {
+    if (trigger_age_.size() > tk.get_index()) {
+      return trigger_age_[tk.get_index()];
+    } else {
+      return 0;
+    }
+  }
+
+  //! Update the given trigger
+  void set_trigger_updated(TriggerKey tk) {
+    if (tk.get_index() >= trigger_age_.size()) {
+      trigger_age_.resize(tk.get_index() + 1, 0);
+    }
+    trigger_age_[tk.get_index()] = age_counter_;
+  }
+  /** @} */
+
   IMP_OBJECT_METHODS(Model);
 
  public:
diff --git a/modules/kernel/include/base_types.h b/modules/kernel/include/base_types.h
index 436f0161fd..a096b14c89 100644
--- a/modules/kernel/include/base_types.h
+++ b/modules/kernel/include/base_types.h
@@ -78,6 +78,9 @@ IMP_VALUES(ObjectsKey, ObjectsKeys);
 typedef Key<8> ModelKey;
 IMP_VALUES(ModelKey, ModelKeys);
 
+//! The type used to identify changed model properties
+typedef Key<11> TriggerKey;
+IMP_VALUES(TriggerKey, TriggerKeys);
 /** @} */
 
 class Restraint;
diff --git a/modules/kernel/pyext/swig.i-in b/modules/kernel/pyext/swig.i-in
index 481769dc21..621e13fe9c 100644
--- a/modules/kernel/pyext/swig.i-in
+++ b/modules/kernel/pyext/swig.i-in
@@ -288,6 +288,7 @@ IMP_SWIG_VALUE_INSTANCE(IMP, ParticleIndexKey, Key, ParticleIndexKeys);
 IMP_SWIG_VALUE_INSTANCE(IMP, ParticleIndexesKey, Key, ParticleIndexesKeys);
 IMP_SWIG_VALUE_INSTANCE(IMP, ObjectKey, Key, ObjectKeys);
 IMP_SWIG_VALUE_INSTANCE(IMP, ModelKey, Key, ModelKeys);
+IMP_SWIG_VALUE_INSTANCE(IMP, TriggerKey, Key, TriggerKeys);
 IMP_SWIG_VALUE_TEMPLATE(IMP, Key);
 IMP_SWIG_RAII_TEMPLATE(IMP, ScopedSetAttribute);
 IMP_SWIG_RAII_INSTANCE(IMP, ScopedSetFloatAttribute, ScopedSetAttribute);
@@ -321,6 +322,7 @@ namespace IMP {
   %template(IntsKey) ::IMP::Key<5>;
   %template(ParticleIndexesKey) ::IMP::Key<6>;
   %template(ModelKey) ::IMP::Key<8>;
+  %template(TriggerKey) ::IMP::Key<11>;
   %template(ParticleIndex) ::IMP::Index<IMP::ParticleIndexTag>;
   %template(FloatsKey) ::IMP::Key<10>;
 }
diff --git a/modules/kernel/src/Model.cpp b/modules/kernel/src/Model.cpp
index 54f4c71373..436e55bd71 100644
--- a/modules/kernel/src/Model.cpp
+++ b/modules/kernel/src/Model.cpp
@@ -17,6 +17,7 @@ Model::Model(std::string name) : Object(name) {
   cur_stage_ = internal::NOT_EVALUATING;
   set_was_used(true);
   first_call_ = true;
+  age_counter_ = 1;
 #if IMP_HAS_CHECKS >= IMP_INTERNAL
   internal::FloatAttributeTable::set_masks(
       &this->Masks::read_mask_, &this->Masks::write_mask_,
diff --git a/modules/kernel/src/Model_dependencies.cpp b/modules/kernel/src/Model_dependencies.cpp
index e80ab4d8ef..d2f42680d9 100644
--- a/modules/kernel/src/Model_dependencies.cpp
+++ b/modules/kernel/src/Model_dependencies.cpp
@@ -242,6 +242,9 @@ void Model::set_has_all_dependencies(bool tf) {
 void Model::update() {
   IMP_OBJECT_LOG;
   IMP_CHECK_OBJECT(this);
+
+  increase_age();
+
   set_has_all_dependencies(true);
   ScoreStatesTemp sst;
   IMP_FOREACH(DependencyGraph::value_type & vt, dependency_graph_) {
diff --git a/modules/kernel/test/test_triggers.py b/modules/kernel/test/test_triggers.py
new file mode 100644
index 0000000000..4a8f96a9dc
--- /dev/null
+++ b/modules/kernel/test/test_triggers.py
@@ -0,0 +1,31 @@
+from __future__ import print_function
+import IMP
+import IMP.test
+
+class Tests(IMP.test.TestCase):
+
+    def test_triggers(self):
+        """Test Model triggers"""
+        m = IMP.Model()
+        # Model age should increase on each call to update()
+        # but should never be zero
+        self.assertEqual(m.get_age(), 1)
+        m.update()
+        self.assertEqual(m.get_age(), 2)
+        m.update()
+        self.assertEqual(m.get_age(), 3)
+
+        tk = IMP.TriggerKey("test_trigger")
+        # Trigger has never been updated
+        self.assertEqual(m.get_trigger_last_updated(tk), 0)
+
+        m.set_trigger_updated(tk)
+        self.assertEqual(m.get_trigger_last_updated(tk), 3)
+
+        m.update()
+        m.set_trigger_updated(tk)
+        self.assertEqual(m.get_trigger_last_updated(tk), 4)
+
+
+if __name__ == '__main__':
+    IMP.test.main()

From a8694c5f1377f51db96d135da19766e02df9e6b2 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 5 Aug 2021 09:20:47 -0700
Subject: [PATCH 099/250] get_ints_numpy() is now a public method

---
 tools/nightly-tests/test-install/test.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/tools/nightly-tests/test-install/test.py b/tools/nightly-tests/test-install/test.py
index 5c0e4fdce7..ad2ac77bc0 100644
--- a/tools/nightly-tests/test-install/test.py
+++ b/tools/nightly-tests/test-install/test.py
@@ -102,7 +102,7 @@ def test_get_numpy(self):
         p2.add_attribute(k, 2)
 
         if IMP.IMP_KERNEL_HAS_NUMPY:
-            n = m1._get_ints_numpy(k)
+            n = m1.get_ints_numpy(k)
             self.assertIs(n.base, m1)
             self.assertEqual(len(n), 2)  # no int attribute for p3
             self.assertEqual(n[0], 1)
@@ -112,11 +112,11 @@ def test_get_numpy(self):
             self.assertEqual(p1.get_value(k), 42)
             self.assertEqual(p2.get_value(k), 24)
 
-            n = m2._get_ints_numpy(k)
+            n = m2.get_ints_numpy(k)
             self.assertIs(n.base, m2)
             self.assertEqual(len(n), 0)  # no int key for this model
         else:
-            self.assertRaises(NotImplementedError, m1._get_ints_numpy, k)
+            self.assertRaises(NotImplementedError, m1.get_ints_numpy, k)
 
 
 if __name__ == '__main__':

From f42cb6a8ea3d6cd76f84f3182ff29deaeb7584dc Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 5 Aug 2021 11:00:24 -0700
Subject: [PATCH 100/250] Trigger whenever a Hierarchy changes

Add a trigger that tracks whenever any Hierarchy
changes in the Model, i.e. any child is added or
removed.
---
 modules/core/include/Hierarchy.h    | 13 +++++++++
 modules/core/src/Hierarchy.cpp      |  5 ++++
 modules/core/test/test_hierarchy.py | 42 +++++++++++++++++++++++++++++
 3 files changed, 60 insertions(+)

diff --git a/modules/core/include/Hierarchy.h b/modules/core/include/Hierarchy.h
index 7a8e256717..0ef3315b9b 100644
--- a/modules/core/include/Hierarchy.h
+++ b/modules/core/include/Hierarchy.h
@@ -92,6 +92,11 @@ class IMPCOREEXPORT Hierarchy : public Decorator {
     do_setup_particle(m, pi, get_indexes(children), traits);
   }
 
+  //! Signal to the Model that this Hierarchy has changed
+  void update_changed_trigger() const {
+    get_model()->set_trigger_updated(get_changed_key());
+  }
+
  public:
   IMP_DECORATOR_WITH_TRAITS_METHODS(Hierarchy, Decorator, HierarchyTraits,
                                     traits, get_default_traits());
@@ -106,6 +111,10 @@ class IMPCOREEXPORT Hierarchy : public Decorator {
                            HierarchyTraits = Hierarchy::get_default_traits()) {
     return true;
   }
+
+  //! The key used to signal to the Model that the Hierarchy has changed
+  static TriggerKey get_changed_key();
+
   /** \return the parent particle, or Hierarchy()
       if it has no parent.
    */
@@ -167,6 +176,7 @@ class IMPCOREEXPORT Hierarchy : public Decorator {
     pis.erase(pis.begin() + i);
     get_model()->remove_attribute(get_decorator_traits().get_parent_key(),
                                   c.get_particle_index());
+    update_changed_trigger();
   }
   void remove_child(Hierarchy h) { remove_child(h.get_child_index()); }
   void clear_children() {
@@ -178,6 +188,7 @@ class IMPCOREEXPORT Hierarchy : public Decorator {
     }
     get_model()->remove_attribute(get_decorator_traits().get_children_key(),
                                   get_particle_index());
+    update_changed_trigger();
   }
   void add_child(Hierarchy h) const {
     if (get_model()->get_has_attribute(
@@ -193,6 +204,7 @@ class IMPCOREEXPORT Hierarchy : public Decorator {
     }
     get_model()->add_attribute(get_decorator_traits().get_parent_key(),
                                h.get_particle_index(), get_particle_index());
+    update_changed_trigger();
   }
   void add_child_at(Hierarchy h, unsigned int pos) {
     IMP_USAGE_CHECK(get_number_of_children() >= pos, "Invalid position");
@@ -208,6 +220,7 @@ class IMPCOREEXPORT Hierarchy : public Decorator {
     }
     get_model()->add_attribute(get_decorator_traits().get_parent_key(),
                                h.get_particle_index(), get_particle_index());
+    update_changed_trigger();
   }
   //! Return i such that `get_parent().get_child(i) == this`
   int get_child_index() const;
diff --git a/modules/core/src/Hierarchy.cpp b/modules/core/src/Hierarchy.cpp
index e619034b1b..5ab42021ee 100644
--- a/modules/core/src/Hierarchy.cpp
+++ b/modules/core/src/Hierarchy.cpp
@@ -24,6 +24,11 @@ HierarchyTraits::HierarchyTraits(std::string name) {
 
 void Hierarchy::show(std::ostream &out) const { out << "Hierarchy"; }
 
+TriggerKey Hierarchy::get_changed_key() {
+  static TriggerKey k("core.Hierarchy.changed");
+  return k;
+}
+
 int Hierarchy::get_child_index() const {
   if (!get_parent())
     return -1;
diff --git a/modules/core/test/test_hierarchy.py b/modules/core/test/test_hierarchy.py
index 8929cdd9fd..c8a8f74563 100644
--- a/modules/core/test/test_hierarchy.py
+++ b/modules/core/test/test_hierarchy.py
@@ -35,6 +35,48 @@ def test_hierarchy(self):
         ppd = self._make_test_hierarchy(m)
         self.assertEqual(ppd.get_number_of_children(), 2)
 
+    def test_trigger(self):
+        """Check Hierarchy-changed Model trigger"""
+        m = IMP.Model()
+        tk = IMP.core.Hierarchy.get_changed_key()
+        # No hierarchy created yet, so trigger should be 0
+        self.assertEqual(m.get_trigger_last_updated(tk), 0)
+        self.assertEqual(m.get_age(), 1)
+        ppd = self._make_test_hierarchy(m)
+        self.assertEqual(m.get_trigger_last_updated(tk), 1)
+        self.assertEqual(m.get_age(), 1)
+
+        # Update should increase model age but not change trigger
+        m.update()
+        self.assertEqual(m.get_trigger_last_updated(tk), 1)
+        self.assertEqual(m.get_age(), 2)
+
+        # Adding a child should update the trigger
+        pc = IMP.Particle(m)
+        pcd = IMP.core.Hierarchy.setup_particle(pc)
+        ppd.add_child(pcd)
+        self.assertEqual(m.get_trigger_last_updated(tk), 2)
+
+        m.update()
+        pc = IMP.Particle(m)
+        pcd = IMP.core.Hierarchy.setup_particle(pc)
+        ppd.add_child_at(pcd, 0)
+        self.assertEqual(m.get_trigger_last_updated(tk), 3)
+
+        # Removing a child should update the trigger
+        m.update()
+        ppd.remove_child(pcd)
+        self.assertEqual(m.get_trigger_last_updated(tk), 4)
+
+        m.update()
+        ppd.remove_child(0)
+        self.assertEqual(m.get_trigger_last_updated(tk), 5)
+
+        # Clearing all children should update the trigger
+        m.update()
+        ppd.clear_children()
+        self.assertEqual(m.get_trigger_last_updated(tk), 6)
+
     def test_depth_visit_count(self):
         """Check depth-first hierarchy traversal"""
         m = IMP.Model()

From 4f9b820cc633f1f84fa73d037c3a07c2afaa5cf3 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 5 Aug 2021 15:15:27 -0700
Subject: [PATCH 101/250] Increase model age in before_evaluate not update

before_evaluate() is always called before the score
(even of a single restraint) is evaluated, so is a
better place to update the model age; update()
is only called if the user explicitly requests it.
---
 modules/kernel/include/Model.h            | 5 +++--
 modules/kernel/src/Model_dependencies.cpp | 2 --
 modules/kernel/src/Model_evaluate.cpp     | 1 +
 3 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/modules/kernel/include/Model.h b/modules/kernel/include/Model.h
index d99b9c611a..d0d04c1716 100644
--- a/modules/kernel/include/Model.h
+++ b/modules/kernel/include/Model.h
@@ -365,8 +365,9 @@ class IMPKERNELEXPORT Model : public Object
 
   //! Get the current 'model time'.
   /** This is a number 1 or more that tracks the 'age' of the model;
-      it is incremented every time update() is called. It may wrap (and so
-      should not be assumed to always increase) but will never be 0. */
+      it is incremented every time before_evaluate() is called.
+      It may wrap (and so should not be assumed to always increase)
+      but will never be 0. */
   unsigned get_age() { return age_counter_; }
 
   //! Get the time when the given trigger was last updated, or 0.
diff --git a/modules/kernel/src/Model_dependencies.cpp b/modules/kernel/src/Model_dependencies.cpp
index d2f42680d9..b049140f8c 100644
--- a/modules/kernel/src/Model_dependencies.cpp
+++ b/modules/kernel/src/Model_dependencies.cpp
@@ -243,8 +243,6 @@ void Model::update() {
   IMP_OBJECT_LOG;
   IMP_CHECK_OBJECT(this);
 
-  increase_age();
-
   set_has_all_dependencies(true);
   ScoreStatesTemp sst;
   IMP_FOREACH(DependencyGraph::value_type & vt, dependency_graph_) {
diff --git a/modules/kernel/src/Model_evaluate.cpp b/modules/kernel/src/Model_evaluate.cpp
index 0e6cf3e3d2..6ef3da598f 100644
--- a/modules/kernel/src/Model_evaluate.cpp
+++ b/modules/kernel/src/Model_evaluate.cpp
@@ -55,6 +55,7 @@ void Model::before_evaluate(const ScoreStatesTemp &states) {
   IMP_USAGE_CHECK(cur_stage_ == internal::NOT_EVALUATING,
                   "Can only call Model::before_evaluate() when not evaluating");
   CreateLogContext clc("update_score_states");
+  increase_age();
   internal::SFSetIt<IMP::internal::Stage> reset(
       &cur_stage_, internal::BEFORE_EVALUATING);
   unsigned int cur_begin = 0;

From 975be08e6d4d7d9c06ce23554bddc487194ce05e Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 5 Aug 2021 15:17:30 -0700
Subject: [PATCH 102/250] Cache SoapDoublets calculation

Speed up OrientedSoapPairScore by roughly 50%
by caching the determination of atom doublets.
This is expensive because it requires traversing
the molecular hierarchy. Make sure the cache
is cleared if the hierarchy was modified since
the last scoring function evaluation (by monitoring
the core::Hierarchy::get_changed_key() trigger).
Benchmarking now shows that the score is comparable
to the implementation in Modeller (perhaps 5% faster).
---
 modules/atom/test/test_oriented_soap.py       | 46 +++++++++++++++++++
 modules/score_functor/include/OrientedSoap.h  |  5 +-
 .../include/internal/soap_helpers.h           | 30 ++++++++++--
 3 files changed, 76 insertions(+), 5 deletions(-)

diff --git a/modules/atom/test/test_oriented_soap.py b/modules/atom/test/test_oriented_soap.py
index 47c0fd1aa4..0aad4d26f1 100644
--- a/modules/atom/test/test_oriented_soap.py
+++ b/modules/atom/test/test_oriented_soap.py
@@ -19,8 +19,54 @@ def test_oriented_soap_score(self):
 
         r = IMP.container.PairsRestraint(sl, c)
 
+        # Our simple test library only contains interactions for CYS:C:CA,
+        # CYS:C:O and GLY:C:CA. With the test PDB we get only one interaction,
+        # between 1:CYS:C:CA and 3:GLY:C:CA.
         score = r.evaluate(False)
         self.assertAlmostEqual(score, 1.0, delta=0.01)
 
+    def test_oriented_soap_cache(self):
+        """Check that OD-SOAP score cache is updated when necessary"""
+        m = IMP.Model()
+        mh = IMP.atom.read_pdb(self.get_input_file_name('soap_loop_test.pdb'),
+                               m)
+
+        sl = IMP.atom.OrientedSoapPairScore(
+            self.get_input_file_name('soap_loop_test.hdf5'))
+
+        # Check score between 1:CYS:C:CA and 3:GLY:C:CA
+        p1 = IMP.atom.Selection(
+            mh, residue_index=1,
+            atom_type=IMP.atom.AT_C).get_selected_particle_indexes()[0]
+        p2 = IMP.atom.Selection(
+            mh, residue_index=3,
+            atom_type=IMP.atom.AT_C).get_selected_particle_indexes()[0]
+
+        r = IMP.core.PairRestraint(m, sl, (p1, p2))
+        score = r.evaluate(False)
+        self.assertAlmostEqual(score, 1.0, delta=0.01)
+
+        # Second score should be cached
+        score = r.evaluate(False)
+        self.assertAlmostEqual(score, 1.0, delta=0.01)
+
+        # Altering the hierarchy should force the cache to be rebuilt
+        p1ca = IMP.atom.Selection(
+            mh, residue_index=1,
+            atom_type=IMP.atom.AT_CA).get_selected_particle_indexes()[0]
+        p1caa = IMP.atom.Atom(m, p1ca)
+        p1res = IMP.atom.get_residue(p1caa)
+        p1res.remove_child(p1caa)
+
+        score = r.evaluate(False)
+        # We removed the CA atom need for the interaction, so score=0
+        self.assertAlmostEqual(score, 0.0, delta=0.01)
+
+        # Restoring the CA atom should restore the score
+        p1res.add_child(p1caa)
+        score = r.evaluate(False)
+        self.assertAlmostEqual(score, 1.0, delta=0.01)
+
+
 if __name__ == '__main__':
     IMP.test.main()
diff --git a/modules/score_functor/include/OrientedSoap.h b/modules/score_functor/include/OrientedSoap.h
index f9391e09bf..7d7c126961 100644
--- a/modules/score_functor/include/OrientedSoap.h
+++ b/modules/score_functor/include/OrientedSoap.h
@@ -80,13 +80,14 @@ class OrientedSoap : public Score {
     int distbin =
         potential_.get_index(internal::SoapPotential::DISTANCE, distance);
     if (distbin >= 0) {
+      doublets_.check_cache_valid(m);
       atom::Atom a1(m, pis[0]);
       atom::Atom a2(m, pis[1]);
       // Find the other atoms (if any) in the two doublet(s) that (a1,a2)
       // are members of
-      DList doublets1 = doublets_.get_for_atom(a1);
+      const DList &doublets1 = doublets_.get_for_atom(a1);
       if (doublets1.size() > 0) {
-        DList doublets2 = doublets_.get_for_atom(a2);
+        const DList &doublets2 = doublets_.get_for_atom(a2);
         for (DList::const_iterator dit1 = doublets1.begin();
              dit1 != doublets1.end(); ++dit1) {
           for (DList::const_iterator dit2 = doublets2.begin();
diff --git a/modules/score_functor/include/internal/soap_helpers.h b/modules/score_functor/include/internal/soap_helpers.h
index 194650993b..c5e528d85f 100644
--- a/modules/score_functor/include/internal/soap_helpers.h
+++ b/modules/score_functor/include/internal/soap_helpers.h
@@ -13,6 +13,7 @@
 
 #ifdef IMP_SCORE_FUNCTOR_USE_HDF5
 
+#include <IMP/core/Hierarchy.h>
 #include <IMP/atom/Atom.h>
 #include <IMP/atom/Residue.h>
 #include "soap_hdf5.h"
@@ -39,12 +40,17 @@ class SoapDoublets {
   typedef std::pair<atom::ResidueType, atom::AtomType> Key;
   typedef std::map<Key, OtherAtoms> DoubletMap;
 
+  typedef std::map<ParticleIndex, std::vector<SoapModelDoublet> > CacheMap;
+
   DoubletMap doublets_;
 
+  mutable CacheMap cache_;
+  mutable unsigned cache_age_;
+
   int n_classes_;
 
  public:
-  SoapDoublets() : n_classes_(0) {}
+  SoapDoublets() : cache_age_(0), n_classes_(0) {}
 
   void read(Hdf5File &file_id) {
     Hdf5Group group(file_id.get(), "/library/tuples");
@@ -77,8 +83,24 @@ class SoapDoublets {
 
   int get_number_of_classes() const { return n_classes_; }
 
+  // Clear the cache if any model hierarchy has changed
+  void check_cache_valid(Model *m) const {
+    unsigned ta = m->get_trigger_last_updated(
+                        core::Hierarchy::get_changed_key());
+    if (ta != 0 && ta != cache_age_) {
+      cache_.clear();
+      cache_age_ = ta;
+    }
+  }
+
   // Get a list of all doublets that the given atom is involved in
-  std::vector<SoapModelDoublet> get_for_atom(atom::Atom a1) const {
+  const std::vector<SoapModelDoublet> &get_for_atom(atom::Atom a1) const {
+    ParticleIndex pi1 = a1.get_particle_index();
+    // Get cached list if available
+    CacheMap::const_iterator it = cache_.find(pi1);
+    if (it != cache_.end()) {
+      return it->second;
+    }
     std::vector<SoapModelDoublet> ret;
     atom::Residue r = atom::get_residue(a1);
     atom::AtomType a1t = a1.get_atom_type();
@@ -97,7 +119,9 @@ class SoapDoublets {
         }
       }
     }
-    return ret;
+    cache_[pi1] = ret;
+    it = cache_.find(pi1);
+    return it->second;
   }
 };
 

From 87b0e4d2e5b2d376a86768c077a154d18444bb91 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 5 Aug 2021 15:26:23 -0700
Subject: [PATCH 103/250] Point to OrientedSoap for a Trigger example

---
 modules/kernel/include/Model.h | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/modules/kernel/include/Model.h b/modules/kernel/include/Model.h
index d0d04c1716..1f7a4be232 100644
--- a/modules/kernel/include/Model.h
+++ b/modules/kernel/include/Model.h
@@ -361,6 +361,10 @@ class IMPKERNELEXPORT Model : public Object
       are handled. To avoid name collisions, it is recommended to prepend
       the module and/or class name to the trigger, e.g. "atom.Bond.changed".
 
+      For an example, see IMP::score_functor::OrientedSoap, which uses
+      a cache built from the molecular hierarchy, which is cleared when the
+      IMP::core::Hierarchy::get_changed_key() trigger is updated.
+
       @{ */
 
   //! Get the current 'model time'.

From 99e5530ed56a8af3b506b9bac16bcd53fc4d8a1b Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 5 Aug 2021 17:44:28 -0700
Subject: [PATCH 104/250] Add residue type for selenomethionine

---
 modules/atom/include/Residue.h | 2 ++
 modules/atom/src/Residue.cpp   | 1 +
 2 files changed, 3 insertions(+)

diff --git a/modules/atom/include/Residue.h b/modules/atom/include/Residue.h
index b647909456..738bb5c5b7 100644
--- a/modules/atom/include/Residue.h
+++ b/modules/atom/include/Residue.h
@@ -90,6 +90,8 @@ IMPATOMEXPORT extern const ResidueType TRP;
 IMPATOMEXPORT extern const ResidueType ACE;
 //! end group
 IMPATOMEXPORT extern const ResidueType NH2;
+//! Selenomethionine
+IMPATOMEXPORT extern const ResidueType MSE;
 /* Code currently assumes that all indices between ADE.get_index()
    and DTHY.get_index() being nucleic acid */
 //! adenine (RNA)
diff --git a/modules/atom/src/Residue.cpp b/modules/atom/src/Residue.cpp
index e67ca53cef..c217a73122 100644
--- a/modules/atom/src/Residue.cpp
+++ b/modules/atom/src/Residue.cpp
@@ -46,6 +46,7 @@ RNAME_DEF(TYR);
 RNAME_DEF(TRP);
 RNAME_DEF(ACE);
 RNAME_DEF(NH2);
+RNAME_DEF(MSE);
 
 // RNA/DNA
 RNAME_DEF2(ADE, "A");

From cb54c4167765297e88b86618cd4a2a06bc0417e0 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 6 Aug 2021 11:32:23 -0700
Subject: [PATCH 105/250] Only import numpy when we need it

Even if IMP was built with numpy, numpy may
not be available at runtime, so importing it
whenever we use IMP.test could fail. Import it
only when we use a method that needs it.
---
 modules/test/pyext/src/__init__.py | 5 +----
 1 file changed, 1 insertion(+), 4 deletions(-)

diff --git a/modules/test/pyext/src/__init__.py b/modules/test/pyext/src/__init__.py
index 120fdff287..bc6dbe8a9a 100644
--- a/modules/test/pyext/src/__init__.py
+++ b/modules/test/pyext/src/__init__.py
@@ -21,10 +21,6 @@
 import pickle
 import contextlib
 import subprocess
-if IMP.IMP_KERNEL_HAS_NUMPY:
-    import numpy
-    import numpy.testing
-
 
 # Expose some unittest decorators for convenience
 expectedFailure = unittest.expectedFailure
@@ -239,6 +235,7 @@ def assertXYZDerivativesInTolerance(self, sf, xyz, tolerance=0,
     def assertNumPyArrayEqual(self, numpy_array, exp_array):
         """Fail if the given numpy array doesn't match expected"""
         if IMP.IMP_KERNEL_HAS_NUMPY:
+            import numpy.testing
             self.assertIsInstance(numpy_array, numpy.ndarray)
             numpy.testing.assert_array_equal(numpy_array, exp_array)
         else:

From 87b29e82e11e0ba0f462ad2f6881cd90f498407b Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 6 Aug 2021 11:33:34 -0700
Subject: [PATCH 106/250] Fix test in debug mode

We need to select all atoms in the interacting
residues, not just the central pair of atoms, since
we need access to the doublet atoms. "Hide" an atom
by moving it to a different residue, not removing
it from the hierarchy entirely.
---
 modules/atom/test/test_oriented_soap.py | 21 ++++++++++-----------
 1 file changed, 10 insertions(+), 11 deletions(-)

diff --git a/modules/atom/test/test_oriented_soap.py b/modules/atom/test/test_oriented_soap.py
index 0aad4d26f1..4d1dd41aec 100644
--- a/modules/atom/test/test_oriented_soap.py
+++ b/modules/atom/test/test_oriented_soap.py
@@ -31,18 +31,14 @@ def test_oriented_soap_cache(self):
         mh = IMP.atom.read_pdb(self.get_input_file_name('soap_loop_test.pdb'),
                                m)
 
+        ps = IMP.atom.get_by_type(mh, IMP.atom.ATOM_TYPE)
+        c = IMP.container.ClosePairContainer(ps, 15.0, 0.0)
+
         sl = IMP.atom.OrientedSoapPairScore(
             self.get_input_file_name('soap_loop_test.hdf5'))
 
-        # Check score between 1:CYS:C:CA and 3:GLY:C:CA
-        p1 = IMP.atom.Selection(
-            mh, residue_index=1,
-            atom_type=IMP.atom.AT_C).get_selected_particle_indexes()[0]
-        p2 = IMP.atom.Selection(
-            mh, residue_index=3,
-            atom_type=IMP.atom.AT_C).get_selected_particle_indexes()[0]
+        r = IMP.container.PairsRestraint(sl, c)
 
-        r = IMP.core.PairRestraint(m, sl, (p1, p2))
         score = r.evaluate(False)
         self.assertAlmostEqual(score, 1.0, delta=0.01)
 
@@ -51,19 +47,22 @@ def test_oriented_soap_cache(self):
         self.assertAlmostEqual(score, 1.0, delta=0.01)
 
         # Altering the hierarchy should force the cache to be rebuilt
+        residues = [IMP.atom.Residue(r)
+                    for r in IMP.atom.get_by_type(mh, IMP.atom.RESIDUE_TYPE)]
         p1ca = IMP.atom.Selection(
             mh, residue_index=1,
             atom_type=IMP.atom.AT_CA).get_selected_particle_indexes()[0]
         p1caa = IMP.atom.Atom(m, p1ca)
-        p1res = IMP.atom.get_residue(p1caa)
-        p1res.remove_child(p1caa)
+        residues[0].remove_child(p1caa)
+        residues[1].add_child(p1caa)
 
         score = r.evaluate(False)
         # We removed the CA atom need for the interaction, so score=0
         self.assertAlmostEqual(score, 0.0, delta=0.01)
 
         # Restoring the CA atom should restore the score
-        p1res.add_child(p1caa)
+        residues[1].remove_child(p1caa)
+        residues[0].add_child(p1caa)
         score = r.evaluate(False)
         self.assertAlmostEqual(score, 1.0, delta=0.01)
 

From 77a7728308cb6ebe150571d5d5508c82d534f956 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 6 Aug 2021 12:15:00 -0700
Subject: [PATCH 107/250] Squashed 'modules/pmi/' changes from
 0bdd6f65d0..a1a4d08e45

a1a4d08e45 Fix issue noted by flake8
5d5b9b9639 Use MSE coordinates like MET
514845592b Don't use old-style string exceptions

git-subtree-dir: modules/pmi
git-subtree-split: a1a4d08e4513d7965c1de4b633c0316f8fd4182a
---
 modules/pmi/pyext/src/topology/__init__.py    | 12 +++-
 .../pmi/pyext/src/topology/system_tools.py    | 17 +++--
 modules/pmi/test/input/mini_mse.fasta         |  4 ++
 modules/pmi/test/input/mini_mse.pdb           | 72 +++++++++++++++++++
 .../pmi/test/test_hierarchy_construction.py   | 24 +++++++
 5 files changed, 122 insertions(+), 7 deletions(-)
 create mode 100644 modules/pmi/test/input/mini_mse.fasta
 create mode 100644 modules/pmi/test/input/mini_mse.pdb

diff --git a/modules/pmi/pyext/src/topology/__init__.py b/modules/pmi/pyext/src/topology/__init__.py
index ea812f1590..dfc7a644c9 100644
--- a/modules/pmi/pyext/src/topology/__init__.py
+++ b/modules/pmi/pyext/src/topology/__init__.py
@@ -918,8 +918,9 @@ def __init__(self):
     def add_residues(self, residues):
         for r in residues:
             idx = IMP.atom.Residue(r).get_index()
+            catypes = [IMP.atom.AT_CA, system_tools._AT_HET_CA]
             ca = IMP.atom.Selection(
-                r, atom_type=IMP.atom.AtomType("CA")).get_selected_particles()
+                r, atom_types=catypes).get_selected_particles()
             p = IMP.atom.Selection(
                 r, atom_type=IMP.atom.AtomType("P")).get_selected_particles()
             if len(ca) == 1:
@@ -929,7 +930,7 @@ def add_residues(self, residues):
                 xyz = IMP.core.XYZ(p[0]).get_coordinates()
                 self.coords.append([idx, xyz])
             else:
-                raise("_FindCloseStructure: wrong selection")
+                raise ValueError("_FindCloseStructure: wrong selection")
 
         self.coords.sort(key=itemgetter(0))
 
@@ -1237,7 +1238,12 @@ def get_has_structure(self):
 
     def set_structure(self, res, soft_check=False):
         if res.get_residue_type() != self.get_residue_type():
-            if soft_check:
+            if (res.get_residue_type() == IMP.atom.MSE
+                    and self.get_residue_type() == IMP.atom.MET):
+                # MSE in the PDB file is OK to match with MET in the FASTA
+                # sequence
+                pass
+            elif soft_check:
                 # note from commit a2c13eaa1 we give priority to the
                 # FASTA and not the PDB
                 warnings.warn(
diff --git a/modules/pmi/pyext/src/topology/system_tools.py b/modules/pmi/pyext/src/topology/system_tools.py
index 0332cc5339..a716cbe2f7 100644
--- a/modules/pmi/pyext/src/topology/system_tools.py
+++ b/modules/pmi/pyext/src/topology/system_tools.py
@@ -9,6 +9,10 @@
 import os
 import warnings
 
+# IMP doesn't statically define an atom type for CA atoms in modified residues
+# (HETATM records) so add it here
+_AT_HET_CA = IMP.atom.AtomType("HET: CA ")
+
 
 def resnums2str(res):
     """Take iterable of TempResidues and return compatified string"""
@@ -40,7 +44,10 @@ def _select_ca_or_p(hiers, **kwargs):
         # detected nucleotides. Selecting phosphorous instead of CA
         return ps
     else:
-        sel = IMP.atom.Selection(hiers, atom_type=IMP.atom.AT_CA, **kwargs)
+        # Also select CA atoms in modified residues (such as MSE)
+        sel = IMP.atom.Selection(hiers, atom_type=IMP.atom.AT_CA, **kwargs) \
+            | IMP.atom.Selection(hiers, residue_type=IMP.atom.MSE,
+                                 atom_type=_AT_HET_CA, **kwargs)
         return sel.get_selected_particles()
 
 
@@ -169,7 +176,8 @@ def build_ca_centers(model, residues):
         except Exception:
             mass = IMP.atom.get_mass(IMP.atom.ResidueType("ALA"))
         calpha = IMP.atom.Selection(
-            residue, atom_type=IMP.atom.AT_CA).get_selected_particles()
+            residue,
+            atom_types=[IMP.atom.AT_CA, _AT_HET_CA]).get_selected_particles()
         cp = IMP.atom.Selection(
             residue, atom_type=IMP.atom.AT_P).get_selected_particles()
 
@@ -178,8 +186,9 @@ def build_ca_centers(model, residues):
         elif len(cp) == 1:
             central_atom = cp[0]
         else:
-            raise("build_ca_centers: weird selection (no Ca, no "
-                  "nucleotide P or ambiguous selection found)")
+            raise ValueError(
+                "build_ca_centers: weird selection (no CA, no "
+                "nucleotide P or ambiguous selection found)")
         radius = IMP.algebra.get_ball_radius_from_volume_3d(vol)
         shape = IMP.algebra.Sphere3D(
             IMP.core.XYZ(central_atom).get_coordinates(), radius)
diff --git a/modules/pmi/test/input/mini_mse.fasta b/modules/pmi/test/input/mini_mse.fasta
new file mode 100644
index 0000000000..e235f4a50e
--- /dev/null
+++ b/modules/pmi/test/input/mini_mse.fasta
@@ -0,0 +1,4 @@
+>1WCM:A
+MMGQQYSS
+>1WCM:B
+AADESAPIT
diff --git a/modules/pmi/test/input/mini_mse.pdb b/modules/pmi/test/input/mini_mse.pdb
new file mode 100644
index 0000000000..6c8b4027b0
--- /dev/null
+++ b/modules/pmi/test/input/mini_mse.pdb
@@ -0,0 +1,72 @@
+HETATM    1  N   MSE A   2     115.846  27.965 -26.370  1.00141.83           N  
+HETATM    2  CA  MSE A   2     114.370  27.980 -26.088  1.00143.49           C  
+HETATM    3  C   MSE A   2     113.517  27.504 -27.287  1.00143.91           C  
+HETATM    4  O   MSE A   2     113.885  27.746 -28.441  1.00146.60           O  
+HETATM    5  CB  MSE A   2     113.901  29.406 -25.683  1.00143.75           C  
+HETATM    6  CG  MSE A   2     115.030  30.438 -25.931  1.00144.59           C  
+HETATM    7 SE   MSE A   2     112.669  29.783 -26.486  1.00144.50          SE  
+ATOM      8  N   GLY A   3     112.371  26.869 -27.012  1.00142.20           N  
+ATOM      9  CA  GLY A   3     111.506  26.368 -28.075  1.00137.53           C  
+ATOM     10  C   GLY A   3     111.719  24.869 -28.275  1.00135.82           C  
+ATOM     11  O   GLY A   3     110.768  24.093 -28.268  1.00134.38           O  
+ATOM     12  N   GLN A   4     112.989  24.479 -28.392  1.00134.31           N  
+ATOM     13  CA  GLN A   4     113.468  23.113 -28.639  1.00128.42           C  
+ATOM     14  C   GLN A   4     113.556  22.956 -30.163  1.00121.24           C  
+ATOM     15  O   GLN A   4     113.552  23.977 -30.840  1.00127.09           O  
+ATOM     16  CB  GLN A   4     112.614  22.038 -27.919  1.00132.34           C  
+ATOM     17  CG  GLN A   4     113.028  21.943 -26.407  1.00135.37           C  
+ATOM     18  CD  GLN A   4     112.604  20.667 -25.677  1.00138.26           C  
+ATOM     19  OE1 GLN A   4     112.836  19.543 -26.150  1.00141.45           O  
+ATOM     20  NE2 GLN A   4     112.006  20.839 -24.497  1.00139.31           N  
+ATOM     21  N   GLN A   5     113.648  21.739 -30.710  1.00124.97           N  
+ATOM     22  CA  GLN A   5     113.808  21.534 -32.168  1.00117.62           C  
+ATOM     23  C   GLN A   5     114.778  22.519 -32.833  1.00112.98           C  
+ATOM     24  O   GLN A   5     114.677  23.727 -32.677  1.00116.85           O  
+ATOM     25  CB  GLN A   5     112.456  21.545 -32.905  1.00121.87           C  
+ATOM     26  CG  GLN A   5     111.763  20.153 -32.917  1.00123.75           C  
+ATOM     27  CD  GLN A   5     110.863  19.874 -34.145  1.00123.65           C  
+ATOM     28  OE1 GLN A   5     110.040  20.712 -34.537  1.00122.50           O  
+ATOM     29  NE2 GLN A   5     111.008  18.674 -34.737  1.00122.09           N  
+ATOM     30  N   TYR A   6     115.713  21.980 -33.598  1.00109.46           N  
+ATOM     31  CA  TYR A   6     116.743  22.770 -34.259  1.00103.70           C  
+ATOM     32  C   TYR A   6     116.348  23.366 -35.602  1.00100.32           C  
+ATOM     33  O   TYR A   6     115.530  22.799 -36.311  1.00 98.76           O  
+ATOM     34  CB  TYR A   6     117.973  21.876 -34.402  1.00104.58           C  
+ATOM     35  CG  TYR A   6     119.003  22.282 -35.425  1.00105.03           C  
+ATOM     36  CD1 TYR A   6     119.591  23.546 -35.395  1.00106.02           C  
+ATOM     37  CD2 TYR A   6     119.450  21.366 -36.380  1.00105.18           C  
+ATOM     38  CE1 TYR A   6     120.606  23.890 -36.289  1.00106.99           C  
+ATOM     39  CE2 TYR A   6     120.461  21.694 -37.276  1.00106.42           C  
+ATOM     40  CZ  TYR A   6     121.039  22.958 -37.226  1.00107.11           C  
+ATOM     41  OH  TYR A   6     122.057  23.290 -38.095  1.00107.50           O  
+ATOM     42  N   SER A   7     116.921  24.519 -35.944  1.00 96.29           N  
+ATOM     43  CA  SER A   7     116.626  25.161 -37.229  1.00 93.49           C  
+ATOM     44  C   SER A   7     117.900  25.595 -37.944  1.00 91.90           C  
+ATOM     45  O   SER A   7     118.767  26.246 -37.352  1.00 91.81           O  
+ATOM     46  CB  SER A   7     115.732  26.388 -37.048  1.00 93.09           C  
+ATOM     47  OG  SER A   7     116.503  27.521 -36.705  1.00 92.33           O  
+ATOM     48  N   SER A   8     117.999  25.245 -39.224  1.00 89.75           N  
+ATOM     49  CA  SER A   8     119.165  25.590 -40.036  1.00 87.32           C  
+ATOM     50  C   SER A   8     119.224  27.089 -40.277  1.00 84.82           C  
+ATOM     51  O   SER A   8     120.074  27.594 -41.008  1.00 84.02           O  
+ATOM     52  CB  SER A   8     119.112  24.859 -41.383  1.00 88.18           C  
+ATOM     53  OG  SER A   8     117.956  25.221 -42.117  1.00 88.85           O  
+TER   11141      PRO A1455                                                      
+ATOM  11142  N   ASP B   3      71.339  57.678  52.031  1.00152.01           N  
+ATOM  11143  CA  ASP B   3      70.427  58.819  51.717  1.00152.39           C  
+ATOM  11144  C   ASP B   3      70.144  58.821  50.222  1.00151.96           C  
+ATOM  11145  O   ASP B   3      70.984  59.245  49.435  1.00151.59           O  
+ATOM  11146  CB  ASP B   3      71.083  60.142  52.119  1.00153.25           C  
+ATOM  11147  CG  ASP B   3      71.660  60.105  53.526  1.00154.12           C  
+ATOM  11148  OD1 ASP B   3      72.652  59.371  53.741  1.00154.20           O  
+ATOM  11149  OD2 ASP B   3      71.119  60.804  54.415  1.00154.25           O  
+ATOM  11150  N   GLU B   4      68.956  58.362  49.837  1.00151.91           N  
+ATOM  11151  CA  GLU B   4      68.584  58.274  48.425  1.00152.09           C  
+ATOM  11152  C   GLU B   4      68.584  59.573  47.616  1.00151.32           C  
+ATOM  11153  O   GLU B   4      67.786  59.730  46.686  1.00150.84           O  
+ATOM  11154  CB  GLU B   4      67.218  57.585  48.274  1.00153.60           C  
+ATOM  11155  CG  GLU B   4      66.035  58.328  48.890  1.00155.74           C  
+ATOM  11156  CD  GLU B   4      64.690  57.699  48.526  1.00156.76           C  
+ATOM  11157  OE1 GLU B   4      64.487  56.498  48.819  1.00156.94           O  
+ATOM  11158  OE2 GLU B   4      63.835  58.409  47.947  1.00157.06           O  
+TER   19862      PHE B1224                                                      
diff --git a/modules/pmi/test/test_hierarchy_construction.py b/modules/pmi/test/test_hierarchy_construction.py
index fc05ea047d..c8b19af8ae 100644
--- a/modules/pmi/test/test_hierarchy_construction.py
+++ b/modules/pmi/test/test_hierarchy_construction.py
@@ -44,6 +44,30 @@ def test_hierarchy_construction(self):
         o.close_rmf("conformations.rmf")
         os.unlink('conformations.rmf')
 
+    def test_hierarchy_mse_construction(self):
+        """Test construction of a hierarchy containing MSE"""
+        pdbfile = self.get_input_file_name("mini_mse.pdb")
+        fastafile = self.get_input_file_name("mini_mse.fasta")
+        sequences = IMP.pmi.topology.Sequences(fastafile)
+
+        m = IMP.Model()
+        simo = IMP.pmi.topology.System(m)
+        st = simo.create_state()
+
+        mol = st.create_molecule('Rpb1', sequence=sequences[0])
+        atomic = mol.add_structure(pdbfile, chain_id='A')
+        # Only build residues that are in the PDB file
+        mol.add_representation(mol.get_atomic_residues(),
+                               resolutions=[1])
+        hier = simo.build()
+        residues = IMP.atom.get_by_type(hier, IMP.atom.RESIDUE_TYPE)
+        rtypes = [IMP.atom.Residue(r).get_residue_type().get_string()
+                  for r in residues]
+        # All residues in PDB file (including the first one, MSE, mapped to
+        # MET here) should be present
+        self.assertEqual(rtypes,
+                         ['MET', 'GLY', 'GLN', 'GLN', 'TYR', 'SER', 'SER'])
+
 
 if __name__ == '__main__':
     IMP.test.main()

From ad3698b25e2a90e978a29e3e15c3521b6d139f12 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 6 Aug 2021 15:50:04 -0700
Subject: [PATCH 108/250] Clear cache if Model changes

Since PairScores are not bound to a single
Model, it is possible that our cache is for
a different Model than the one we're being
called for. Fix this by simply clearing and
rebuilding the cache if the Model changes.
This is likely a rare scenario, so is more
straightforward than keeping a separate cache
for each Model.
---
 modules/atom/test/test_oriented_soap.py       | 47 ++++++++++++++++++-
 .../include/internal/soap_helpers.h           |  9 ++--
 2 files changed, 51 insertions(+), 5 deletions(-)

diff --git a/modules/atom/test/test_oriented_soap.py b/modules/atom/test/test_oriented_soap.py
index 4d1dd41aec..288bf477b9 100644
--- a/modules/atom/test/test_oriented_soap.py
+++ b/modules/atom/test/test_oriented_soap.py
@@ -25,8 +25,8 @@ def test_oriented_soap_score(self):
         score = r.evaluate(False)
         self.assertAlmostEqual(score, 1.0, delta=0.01)
 
-    def test_oriented_soap_cache(self):
-        """Check that OD-SOAP score cache is updated when necessary"""
+    def test_oriented_soap_cache_hierarchy(self):
+        """Check that OD-SOAP score cache is updated when Hierarchy changes"""
         m = IMP.Model()
         mh = IMP.atom.read_pdb(self.get_input_file_name('soap_loop_test.pdb'),
                                m)
@@ -66,6 +66,49 @@ def test_oriented_soap_cache(self):
         score = r.evaluate(False)
         self.assertAlmostEqual(score, 1.0, delta=0.01)
 
+    def test_oriented_soap_cache_model(self):
+        """Check that OD-SOAP score cache is updated when Model changes"""
+        m1 = IMP.Model()
+        m2 = IMP.Model()
+        mh1 = IMP.atom.read_pdb(self.get_input_file_name('soap_loop_test.pdb'),
+                                m1)
+        mh2 = IMP.atom.read_pdb(self.get_input_file_name('soap_loop_test.pdb'),
+                                m2)
+        residues = [IMP.atom.Residue(r)
+                    for r in IMP.atom.get_by_type(mh2, IMP.atom.RESIDUE_TYPE)]
+        p1ca = IMP.atom.Selection(
+            mh2, residue_index=1,
+            atom_type=IMP.atom.AT_CA).get_selected_particle_indexes()[0]
+        p1caa = IMP.atom.Atom(m2, p1ca)
+        residues[0].remove_child(p1caa)
+
+        sl = IMP.atom.OrientedSoapPairScore(
+            self.get_input_file_name('soap_loop_test.hdf5'))
+
+        p11 = IMP.atom.Selection(
+            mh1, residue_index=1,
+            atom_type=IMP.atom.AT_C).get_selected_particle_indexes()[0]
+        p21 = IMP.atom.Selection(
+            mh1, residue_index=3,
+            atom_type=IMP.atom.AT_C).get_selected_particle_indexes()[0]
+        # Score for m1 should be 1.0 since all atoms are present
+        self.assertAlmostEqual(sl.evaluate_index(m1, (p11, p21), None),
+                               1.0, delta=1e-6)
+
+        p12 = IMP.atom.Selection(
+            mh2, residue_index=1,
+            atom_type=IMP.atom.AT_C).get_selected_particle_indexes()[0]
+        p22 = IMP.atom.Selection(
+            mh2, residue_index=3,
+            atom_type=IMP.atom.AT_C).get_selected_particle_indexes()[0]
+        # Score for m2 should be 0.0 (not cached value) since we removed
+        # the needed atom CA for the interaction
+        self.assertAlmostEqual(sl.evaluate_index(m2, (p12, p22), None),
+                               0.0, delta=1e-6)
+
+        self.assertAlmostEqual(sl.evaluate_index(m1, (p11, p21), None),
+                               1.0, delta=1e-6)
+
 
 if __name__ == '__main__':
     IMP.test.main()
diff --git a/modules/score_functor/include/internal/soap_helpers.h b/modules/score_functor/include/internal/soap_helpers.h
index c5e528d85f..6d17c48c39 100644
--- a/modules/score_functor/include/internal/soap_helpers.h
+++ b/modules/score_functor/include/internal/soap_helpers.h
@@ -46,11 +46,12 @@ class SoapDoublets {
 
   mutable CacheMap cache_;
   mutable unsigned cache_age_;
+  mutable Model* cache_model_;
 
   int n_classes_;
 
  public:
-  SoapDoublets() : cache_age_(0), n_classes_(0) {}
+  SoapDoublets() : cache_age_(0), cache_model_(nullptr), n_classes_(0) {}
 
   void read(Hdf5File &file_id) {
     Hdf5Group group(file_id.get(), "/library/tuples");
@@ -83,13 +84,15 @@ class SoapDoublets {
 
   int get_number_of_classes() const { return n_classes_; }
 
-  // Clear the cache if any model hierarchy has changed
+  // Clear the cache if any model hierarchy has changed, or we're being
+  // called for a different Model than we have cached
   void check_cache_valid(Model *m) const {
     unsigned ta = m->get_trigger_last_updated(
                         core::Hierarchy::get_changed_key());
-    if (ta != 0 && ta != cache_age_) {
+    if ((ta != 0 && ta != cache_age_) || (cache_model_ != m)) {
       cache_.clear();
       cache_age_ = ta;
+      cache_model_ = m;
     }
   }
 

From a044df9dac5d18fdce015ca59525957b28b6e86c Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 6 Aug 2021 16:06:28 -0700
Subject: [PATCH 109/250] Check that MSE is reported as a "protein" residue

---
 modules/atom/test/test_residue.py | 1 +
 1 file changed, 1 insertion(+)

diff --git a/modules/atom/test/test_residue.py b/modules/atom/test/test_residue.py
index b146712d14..b03f011d24 100644
--- a/modules/atom/test/test_residue.py
+++ b/modules/atom/test/test_residue.py
@@ -12,6 +12,7 @@ def test_rna_dna_protein(self):
         m = IMP.Model()
         user = IMP.atom.ResidueType('foo')
         for typ, rna, dna, protein in ((IMP.atom.ALA, False, False, True),
+                                       (IMP.atom.MSE, False, False, True),
                                        (IMP.atom.ADE, True, False, False),
                                        (IMP.atom.DADE, False, True, False),
                                        (IMP.atom.HOH, False, False, False),

From a22cf4d31ddb3007a93f06a40936f88fcc6b7c0b Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 6 Aug 2021 17:36:16 -0700
Subject: [PATCH 110/250] Add trigger for atom/residue type changing

---
 modules/atom/include/Residue.h    |  3 +++
 modules/atom/src/Atom.cpp         |  3 +++
 modules/atom/src/Residue.cpp      |  8 ++++++++
 modules/atom/test/test_atom.py    | 31 +++++++++++++++++++++++++++++++
 modules/atom/test/test_residue.py | 20 ++++++++++++++++++++
 5 files changed, 65 insertions(+)
 create mode 100644 modules/atom/test/test_atom.py

diff --git a/modules/atom/include/Residue.h b/modules/atom/include/Residue.h
index 738bb5c5b7..f13ab5400c 100644
--- a/modules/atom/include/Residue.h
+++ b/modules/atom/include/Residue.h
@@ -210,6 +210,9 @@ class IMPATOMEXPORT Residue : public Hierarchy {
   static IntKey get_residue_type_key();
 
   static IntKey get_insertion_code_key();
+
+  //! The key used to signal to the Model that residue/atom type has changed
+  static TriggerKey get_type_changed_key();
 };
 
 IMP_DECORATORS(Residue, Residues, Hierarchies);
diff --git a/modules/atom/src/Atom.cpp b/modules/atom/src/Atom.cpp
index db112677bf..46ff78a799 100644
--- a/modules/atom/src/Atom.cpp
+++ b/modules/atom/src/Atom.cpp
@@ -242,6 +242,9 @@ void Atom::set_atom_type(AtomType t) {
   if (e != UNKNOWN_ELEMENT) {
     set_element(e);
   }
+
+  // Signal to the Model that the type has changed
+  get_model()->set_trigger_updated(Residue::get_type_changed_key());
 }
 
 IntKey Atom::get_atom_type_key() {
diff --git a/modules/atom/src/Residue.cpp b/modules/atom/src/Residue.cpp
index c217a73122..e67f652a04 100644
--- a/modules/atom/src/Residue.cpp
+++ b/modules/atom/src/Residue.cpp
@@ -83,6 +83,9 @@ void Residue::show(std::ostream &out) const {
 
 void Residue::set_residue_type(ResidueType t) {
   get_particle()->set_value(get_residue_type_key(), t.get_index());
+
+  // Signal to the Model that the type has changed
+  get_model()->set_trigger_updated(get_type_changed_key());
 }
 
 IntKey Residue::get_index_key() {
@@ -100,6 +103,11 @@ IntKey Residue::get_insertion_code_key() {
   return k;
 }
 
+TriggerKey Residue::get_type_changed_key() {
+  static TriggerKey k("atom.type_changed");
+  return k;
+}
+
 Hierarchy get_next_residue(Residue rd) {
   // only handle simple case so far
   Hierarchy p = rd.get_parent();
diff --git a/modules/atom/test/test_atom.py b/modules/atom/test/test_atom.py
new file mode 100644
index 0000000000..ca59602aa9
--- /dev/null
+++ b/modules/atom/test/test_atom.py
@@ -0,0 +1,31 @@
+import IMP
+import IMP.test
+import IMP.atom
+
+
+class Tests(IMP.test.TestCase):
+
+    """Test the Atom class and related functions"""
+
+    def test_type_trigger(self):
+        """Check Atom type changed Model trigger"""
+        m = IMP.Model()
+        tk = IMP.atom.Residue.get_type_changed_key()
+        self.assertEqual(m.get_trigger_last_updated(tk), 0)
+        p = IMP.Particle(m)
+        a = IMP.atom.Atom.setup_particle(p, IMP.atom.AT_CA)
+        self.assertEqual(m.get_trigger_last_updated(tk), 1)
+        self.assertEqual(m.get_age(), 1)
+
+        # Update should increase model age but not change trigger
+        m.update()
+        self.assertEqual(m.get_trigger_last_updated(tk), 1)
+        self.assertEqual(m.get_age(), 2)
+
+        # Changing type should update the trigger
+        a.set_atom_type(IMP.atom.AT_C)
+        self.assertEqual(m.get_trigger_last_updated(tk), 2)
+
+
+if __name__ == '__main__':
+    IMP.test.main()
diff --git a/modules/atom/test/test_residue.py b/modules/atom/test/test_residue.py
index b03f011d24..1088e47bdd 100644
--- a/modules/atom/test/test_residue.py
+++ b/modules/atom/test/test_residue.py
@@ -24,5 +24,25 @@ def test_rna_dna_protein(self):
             self.assertEqual(r.get_is_dna(), dna)
             self.assertEqual(r.get_is_protein(), protein)
 
+    def test_type_trigger(self):
+        """Check Residue type changed Model trigger"""
+        m = IMP.Model()
+        tk = IMP.atom.Residue.get_type_changed_key()
+        self.assertEqual(m.get_trigger_last_updated(tk), 0)
+        p = IMP.Particle(m)
+        r = IMP.atom.Residue.setup_particle(p, IMP.atom.ALA)
+        self.assertEqual(m.get_trigger_last_updated(tk), 1)
+        self.assertEqual(m.get_age(), 1)
+
+        # Update should increase model age but not change trigger
+        m.update()
+        self.assertEqual(m.get_trigger_last_updated(tk), 1)
+        self.assertEqual(m.get_age(), 2)
+
+        # Changing type should update the trigger
+        r.set_residue_type(IMP.atom.CYS)
+        self.assertEqual(m.get_trigger_last_updated(tk), 2)
+
+
 if __name__ == '__main__':
     IMP.test.main()

From 8704049a180ffc6be9403f13e518991493ddbca8 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 6 Aug 2021 18:03:31 -0700
Subject: [PATCH 111/250] Clear OD-SOAP cache if atom or residue type changes

---
 modules/atom/test/test_oriented_soap.py       | 62 +++++++++++++++++++
 .../include/internal/soap_helpers.h           | 17 +++--
 2 files changed, 74 insertions(+), 5 deletions(-)

diff --git a/modules/atom/test/test_oriented_soap.py b/modules/atom/test/test_oriented_soap.py
index 288bf477b9..5a5e7afbac 100644
--- a/modules/atom/test/test_oriented_soap.py
+++ b/modules/atom/test/test_oriented_soap.py
@@ -66,6 +66,68 @@ def test_oriented_soap_cache_hierarchy(self):
         score = r.evaluate(False)
         self.assertAlmostEqual(score, 1.0, delta=0.01)
 
+    def test_oriented_soap_cache_atom_type(self):
+        """Check that OD-SOAP score cache is updated when atom type changes"""
+        m = IMP.Model()
+        mh = IMP.atom.read_pdb(self.get_input_file_name('soap_loop_test.pdb'),
+                               m)
+
+        ps = IMP.atom.get_by_type(mh, IMP.atom.ATOM_TYPE)
+        c = IMP.container.ClosePairContainer(ps, 15.0, 0.0)
+
+        sl = IMP.atom.OrientedSoapPairScore(
+            self.get_input_file_name('soap_loop_test.hdf5'))
+
+        r = IMP.container.PairsRestraint(sl, c)
+
+        score = r.evaluate(False)
+        self.assertAlmostEqual(score, 1.0, delta=0.01)
+
+        # Second score should be cached
+        score = r.evaluate(False)
+        self.assertAlmostEqual(score, 1.0, delta=0.01)
+
+        # Altering the atom type should force the cache to be rebuilt
+        p1ca = IMP.atom.Selection(
+            mh, residue_index=1,
+            atom_type=IMP.atom.AT_CA).get_selected_particle_indexes()[0]
+        p1caa = IMP.atom.Atom(m, p1ca)
+        p1caa.set_atom_type(IMP.atom.AT_SG)
+
+        score = r.evaluate(False)
+        # We changed the CA atom needed for the interaction, so score=0
+        self.assertAlmostEqual(score, 0.0, delta=0.01)
+
+    def test_oriented_soap_cache_residue_type(self):
+        "Check that OD-SOAP score cache is updated when residue type changes"
+        m = IMP.Model()
+        mh = IMP.atom.read_pdb(self.get_input_file_name('soap_loop_test.pdb'),
+                               m)
+
+        ps = IMP.atom.get_by_type(mh, IMP.atom.ATOM_TYPE)
+        c = IMP.container.ClosePairContainer(ps, 15.0, 0.0)
+
+        sl = IMP.atom.OrientedSoapPairScore(
+            self.get_input_file_name('soap_loop_test.hdf5'))
+
+        r = IMP.container.PairsRestraint(sl, c)
+
+        score = r.evaluate(False)
+        self.assertAlmostEqual(score, 1.0, delta=0.01)
+
+        # Second score should be cached
+        score = r.evaluate(False)
+        self.assertAlmostEqual(score, 1.0, delta=0.01)
+
+        # Altering the residue type should force the cache to be rebuilt
+        residues = [IMP.atom.Residue(r)
+                    for r in IMP.atom.get_by_type(mh, IMP.atom.RESIDUE_TYPE)]
+        residues[0].set_residue_type(IMP.atom.ADE)
+
+        score = r.evaluate(False)
+        # We changed the CYS residue needed for the interaction, so score=0
+        self.assertAlmostEqual(score, 0.0, delta=0.01)
+
     def test_oriented_soap_cache_model(self):
         """Check that OD-SOAP score cache is updated when Model changes"""
         m1 = IMP.Model()
diff --git a/modules/score_functor/include/internal/soap_helpers.h b/modules/score_functor/include/internal/soap_helpers.h
index 6d17c48c39..7900e90690 100644
--- a/modules/score_functor/include/internal/soap_helpers.h
+++ b/modules/score_functor/include/internal/soap_helpers.h
@@ -45,13 +45,15 @@ class SoapDoublets {
   DoubletMap doublets_;
 
   mutable CacheMap cache_;
-  mutable unsigned cache_age_;
+  mutable unsigned cache_hierarchy_age_;
+  mutable unsigned cache_resatm_type_age_;
   mutable Model* cache_model_;
 
   int n_classes_;
 
  public:
-  SoapDoublets() : cache_age_(0), cache_model_(nullptr), n_classes_(0) {}
+  SoapDoublets() : cache_hierarchy_age_(0), cache_resatm_type_age_(0),
+                   cache_model_(nullptr), n_classes_(0) {}
 
   void read(Hdf5File &file_id) {
     Hdf5Group group(file_id.get(), "/library/tuples");
@@ -87,11 +89,16 @@ class SoapDoublets {
   // Clear the cache if any model hierarchy has changed, or we're being
   // called for a different Model than we have cached
   void check_cache_valid(Model *m) const {
-    unsigned ta = m->get_trigger_last_updated(
+    unsigned tha = m->get_trigger_last_updated(
                         core::Hierarchy::get_changed_key());
-    if ((ta != 0 && ta != cache_age_) || (cache_model_ != m)) {
+    unsigned tta = m->get_trigger_last_updated(
+                        atom::Residue::get_type_changed_key());
+    if ((tha != 0 && tha != cache_hierarchy_age_)
+        || (tta != 0 && tta != cache_resatm_type_age_)
+        || (cache_model_ != m)) {
       cache_.clear();
-      cache_age_ = ta;
+      cache_hierarchy_age_ = tha;
+      cache_resatm_type_age_ = tta;
       cache_model_ = m;
     }
   }

From 1d703eda7234874c5aa70b294f627509b171b293 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 6 Aug 2021 23:14:15 -0700
Subject: [PATCH 112/250] Warn against calling PairScore::evaluate directly

---
 tools/build/container_templates/kernel/ClassnameScore.h | 5 +++++
 1 file changed, 5 insertions(+)

diff --git a/tools/build/container_templates/kernel/ClassnameScore.h b/tools/build/container_templates/kernel/ClassnameScore.h
index 0a66887a01..d83a52a69e 100644
--- a/tools/build/container_templates/kernel/ClassnameScore.h
+++ b/tools/build/container_templates/kernel/ClassnameScore.h
@@ -26,6 +26,11 @@ IMPKERNEL_BEGIN_NAMESPACE
     IMP::core::ClassnameRestraint. The restraints couple the score
     functions with appropriate lists of object(s) of type INDEXTYPE.
 
+    It is possible to call the various evaluate* methods directly, but
+    this is not recommended as they do not ensure that Model invariants
+    (e.g. ScoreStates) are preserved. Use a Restraint or ScoringFunction
+    to score the model instead.
+
     Implementers should check out IMP_CLASSNAME_SCORE().
 
     \see PredicateClassnameRestraint

From 6a3d2b8da50c46d94c3fc28003ba459b40edcd81 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Sat, 7 Aug 2021 09:19:53 -0700
Subject: [PATCH 113/250] Don't overwrite restraint object "r"

---
 modules/atom/test/test_oriented_soap.py | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/modules/atom/test/test_oriented_soap.py b/modules/atom/test/test_oriented_soap.py
index 5a5e7afbac..b83d2a67cd 100644
--- a/modules/atom/test/test_oriented_soap.py
+++ b/modules/atom/test/test_oriented_soap.py
@@ -47,8 +47,8 @@ def test_oriented_soap_cache_hierarchy(self):
         self.assertAlmostEqual(score, 1.0, delta=0.01)
 
         # Altering the hierarchy should force the cache to be rebuilt
-        residues = [IMP.atom.Residue(r)
-                    for r in IMP.atom.get_by_type(mh, IMP.atom.RESIDUE_TYPE)]
+        residues = [IMP.atom.Residue(x)
+                    for x in IMP.atom.get_by_type(mh, IMP.atom.RESIDUE_TYPE)]
         p1ca = IMP.atom.Selection(
             mh, residue_index=1,
             atom_type=IMP.atom.AT_CA).get_selected_particle_indexes()[0]
@@ -120,8 +120,8 @@ def test_oriented_soap_cache_residue_type(self):
         self.assertAlmostEqual(score, 1.0, delta=0.01)
 
         # Altering the residue type should force the cache to be rebuilt
-        residues = [IMP.atom.Residue(r)
-                    for r in IMP.atom.get_by_type(mh, IMP.atom.RESIDUE_TYPE)]
+        residues = [IMP.atom.Residue(x)
+                    for x in IMP.atom.get_by_type(mh, IMP.atom.RESIDUE_TYPE)]
         residues[0].set_residue_type(IMP.atom.ADE)
 
         score = r.evaluate(False)

From ea05cb4ebf44d4ae67bd7bfbbec9aa79b45ce756 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 9 Aug 2021 11:47:41 -0700
Subject: [PATCH 114/250] Squashed 'modules/rmf/dependency/RMF/' changes from
 a9b95e1fca..9ad4661cb4

9ad4661cb4 Work around boost::flat_map segfault with gcc 11

git-subtree-dir: modules/rmf/dependency/RMF
git-subtree-split: 9ad4661cb48ed19cc968bb55ac84cff86c8d08a4
---
 .../rmf/dependency/RMF/include/RMF/internal/SharedDataData.h  | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/modules/rmf/dependency/RMF/include/RMF/internal/SharedDataData.h b/modules/rmf/dependency/RMF/include/RMF/internal/SharedDataData.h
index 0b6ee6cd81..456e2b624d 100644
--- a/modules/rmf/dependency/RMF/include/RMF/internal/SharedDataData.h
+++ b/modules/rmf/dependency/RMF/include/RMF/internal/SharedDataData.h
@@ -28,9 +28,9 @@ struct KeyData : public RMF_LARGE_UNORDERED_MAP<NodeID, typename Traits::Type> {
   KeyData() {}
 };
 
-// boost flat_map::operator[] segfaults on Fedora 32; use std::map instead
+// boost flat_map::operator[] segfaults on Fedora 32+; use std::map instead
 template <class Traits>
-#if __GNUC__ == 10 && __GNUC_MINOR__ == 0
+#if __GNUC__ >= 10
 struct TypeData : std::map<ID<Traits>, KeyData<Traits> > {
   typedef std::map<ID<Traits>, KeyData<Traits> > P;
 #else

From 850308ed05036aedaff147ae4f11b3c2c051b9cc Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 9 Aug 2021 16:12:02 -0700
Subject: [PATCH 115/250] Check OD-SOAP cache only once per evaluation

Add a DistancePairScoreWithCache class that only
checks the cache once, at the start of evaluation,
rather than for every pair, and use that for OrientedSoap.
---
 modules/atom/include/OrientedSoapPairScore.h  |   7 +-
 modules/atom/pyext/swig.i-in                  |   2 +-
 .../include/DistancePairScoreWithCache.h      | 127 ++++++++++++++++++
 modules/score_functor/include/OrientedSoap.h  |  21 +--
 .../score_functor/include/ScoreWithCache.h    |  91 +++++++++++++
 modules/score_functor/pyext/swig.i-in         |   2 +
 6 files changed, 238 insertions(+), 12 deletions(-)
 create mode 100644 modules/score_functor/include/DistancePairScoreWithCache.h
 create mode 100644 modules/score_functor/include/ScoreWithCache.h

diff --git a/modules/atom/include/OrientedSoapPairScore.h b/modules/atom/include/OrientedSoapPairScore.h
index 9ce5420ebd..d796c6979b 100644
--- a/modules/atom/include/OrientedSoapPairScore.h
+++ b/modules/atom/include/OrientedSoapPairScore.h
@@ -11,6 +11,7 @@
 
 #include <IMP/atom/atom_config.h>
 #include <IMP/score_functor/OrientedSoap.h>
+#include <IMP/score_functor/DistancePairScoreWithCache.h>
 #include <IMP/atom/SoapPairFilter.h>
 
 IMPATOM_BEGIN_NAMESPACE
@@ -23,8 +24,10 @@ IMPATOM_BEGIN_NAMESPACE
     here. They can be downloaded separately from https://salilab.org/SOAP/.
 */
 class OrientedSoapPairScore
-    : public score_functor::DistancePairScore<score_functor::OrientedSoap> {
-  typedef score_functor::DistancePairScore<score_functor::OrientedSoap> P;
+    : public score_functor::DistancePairScoreWithCache<
+                                 score_functor::OrientedSoap> {
+  typedef score_functor::DistancePairScoreWithCache<
+                                    score_functor::OrientedSoap> P;
   std::string library_;
 
  public:
diff --git a/modules/atom/pyext/swig.i-in b/modules/atom/pyext/swig.i-in
index 0da8519133..c560e22a6c 100644
--- a/modules/atom/pyext/swig.i-in
+++ b/modules/atom/pyext/swig.i-in
@@ -250,7 +250,7 @@ IMP_SWIG_NESTED_SEQUENCE_TYPEMAP(IMP::atom::AtomType, IMP::atom::AtomTypes, IMP:
 %template(_BDopeBase) IMP::score_functor::DistancePairScore< IMP::score_functor::Statistical< IMP::atom::DopeType,false,true,false > >;
 %template(_ALoopStatisticalBase) IMP::score_functor::DistancePairScore<IMP::score_functor::LoopStatistical>;
 %template(_BLoopStatisticalBase) IMP::score_functor::DistancePairScore< IMP::score_functor::Statistical< IMP::atom::LoopStatisticalType,false,true,false > >;
-%template(_OrientedSoapBase) IMP::score_functor::DistancePairScore<IMP::score_functor::OrientedSoap>;
+%template(_OrientedSoapBase) IMP::score_functor::DistancePairScoreWithCache<IMP::score_functor::OrientedSoap>;
 namespace IMP {
   namespace atom {
    %template(_SPSFTB) ::IMP::score_functor::DistancePairScore<score_functor::Statistical< IMP::atom::ProteinLigandType, true, false> >;
diff --git a/modules/score_functor/include/DistancePairScoreWithCache.h b/modules/score_functor/include/DistancePairScoreWithCache.h
new file mode 100644
index 0000000000..c0d48cd584
--- /dev/null
+++ b/modules/score_functor/include/DistancePairScoreWithCache.h
@@ -0,0 +1,127 @@
+/**
+ *  \file IMP/score_functor/DistancePairScoreWithCache.h
+ *  \brief A Score on the distance between a pair of particles, using cache.
+ *
+ *  Copyright 2007-2021 IMP Inventors. All rights reserved.
+ */
+
+#ifndef IMPSCORE_FUNCTOR_DISTANCE_PAIR_SCORE_WITH_CACHE_H
+#define IMPSCORE_FUNCTOR_DISTANCE_PAIR_SCORE_WITH_CACHE_H
+
+#include <IMP/score_functor/score_functor_config.h>
+#include <IMP/PairScore.h>
+#include <IMP/pair_macros.h>
+
+IMPSCOREFUNCTOR_BEGIN_NAMESPACE
+
+//! Create efficient distance-based pair scores, with cache.
+/** This class allows one to create efficient distance-based
+    pair scores in C++ by simply writing a functor (ScoreWithCache) that
+    does the scoring. This is like DistancePairScore but it allows the
+    functor to do once-per-model-evaluation cache updates.
+
+    \see ScoreWithCache, DistancePairScore
+*/
+template <class DistanceScoreT>
+class DistancePairScoreWithCache : public PairScore {
+  DistanceScoreT ds_;
+
+  double evaluate_index_with_cache(Model *m,
+                                   const ParticleIndexPair &pip,
+                                   DerivativeAccumulator *da) const;
+
+ public:
+  typedef DistanceScoreT DistanceScore;
+
+  // for backwards compat
+  DistancePairScoreWithCache(const DistanceScore &t0,
+                    std::string name = "FunctorDistancePairScoreWithCache %1%")
+      : PairScore(name), ds_(t0) {}
+
+  virtual double evaluate_index(Model *m,
+                                const ParticleIndexPair &pip,
+                                DerivativeAccumulator *da) const IMP_OVERRIDE;
+
+  virtual ModelObjectsTemp do_get_inputs(
+      Model *m, const ParticleIndexes &pis) const IMP_OVERRIDE;
+
+  /**
+      return a reference to the functor that is applied on a pair of particles
+      in order to compute their distances
+  */
+  DistanceScoreT& get_score_functor()
+    {return ds_; }
+
+  virtual double evaluate_indexes(
+       Model *m, const ParticleIndexPairs &p,
+       DerivativeAccumulator *da, unsigned int lower_bound,
+       unsigned int upper_bound) const IMP_OVERRIDE;
+
+  IMP_OBJECT_METHODS(DistancePairScoreWithCache);
+};
+
+#ifndef IMP_DOXYGEN
+template <class DistanceScore>
+inline double DistancePairScoreWithCache<DistanceScore>::evaluate_indexes(
+       Model *m, const ParticleIndexPairs &p,
+       DerivativeAccumulator *da, unsigned int lower_bound,
+       unsigned int upper_bound) const {
+  double ret = 0;
+  ds_.check_cache_valid(m);
+  for (unsigned int i = lower_bound; i < upper_bound; ++i) {
+    ret += evaluate_index_with_cache(m, p[i], da);
+  }
+  return ret;
+}
+
+template <class DistanceScore>
+inline double DistancePairScoreWithCache<DistanceScore>::evaluate_index(
+    Model *m, const ParticleIndexPair &p,
+    DerivativeAccumulator *da) const {
+  ds_.check_cache_valid(m);
+  return evaluate_index_with_cache(m, p, da);
+}
+
+template <class DistanceScore>
+inline double
+DistancePairScoreWithCache<DistanceScore>::evaluate_index_with_cache(
+    Model *m, const ParticleIndexPair &p,
+    DerivativeAccumulator *da) const {
+  algebra::Vector3D delta =
+      m->get_sphere(p[0]).get_center() - m->get_sphere(p[1]).get_center();
+  double sq = delta.get_squared_magnitude();
+  if (ds_.get_is_trivially_zero_with_cache(m, p, sq)) {
+    return 0;
+  }
+  double dist = std::sqrt(sq);
+  if (da) {
+    std::pair<double, double> sp = ds_.get_score_and_derivative_with_cache(
+                    m, p, dist);
+    static const double MIN_DISTANCE = .00001;
+    algebra::Vector3D uv;
+    if (dist > MIN_DISTANCE) {
+      uv = delta / dist;
+    } else {
+      uv = algebra::get_zero_vector_d<3>();
+    }
+    m->add_to_coordinate_derivatives(p[0], uv * sp.second, *da);
+    m->add_to_coordinate_derivatives(p[1], -uv * sp.second, *da);
+    return sp.first;
+  } else {
+    return ds_.get_score_with_cache(m, p, dist);
+  }
+}
+
+template <class DistanceScore>
+inline ModelObjectsTemp
+DistancePairScoreWithCache<DistanceScore>::do_get_inputs(
+    Model *m, const ParticleIndexes &pis) const {
+  ModelObjectsTemp ret;
+  ret += ds_.get_inputs(m, pis);
+  return ret;
+}
+#endif
+
+IMPSCOREFUNCTOR_END_NAMESPACE
+
+#endif /* IMPSCORE_FUNCTOR_DISTANCE_PAIR_SCORE_WITH_CACHE_H */
diff --git a/modules/score_functor/include/OrientedSoap.h b/modules/score_functor/include/OrientedSoap.h
index 7d7c126961..f832423778 100644
--- a/modules/score_functor/include/OrientedSoap.h
+++ b/modules/score_functor/include/OrientedSoap.h
@@ -14,7 +14,7 @@
 #include <IMP/core/internal/dihedral_helpers.h>
 #include "internal/soap_hdf5.h"
 #include "internal/soap_helpers.h"
-#include "Score.h"
+#include "ScoreWithCache.h"
 
 IMPSCOREFUNCTOR_BEGIN_NAMESPACE
 
@@ -25,7 +25,7 @@ IMPSCOREFUNCTOR_BEGIN_NAMESPACE
     soap_protein_od.hdf5, are rather large (~1.5GB) and so are not included
     here. They can be downloaded separately from https://salilab.org/SOAP/.
  */
-class OrientedSoap : public Score {
+class OrientedSoap : public ScoreWithCache {
   double maxrange_;
   std::string library_;
 #ifdef IMP_SCORE_FUNCTOR_USE_HDF5
@@ -71,16 +71,19 @@ class OrientedSoap : public Score {
     IMP_THROW("Must configure IMP with HDF5 to use this class", ValueException);
 #endif
   }
+
+  void check_cache_valid(Model *m) const {
+    doublets_.check_cache_valid(m);
+  }
+
   template <unsigned int D>
-  double get_score(Model *m,
-                   const Array<D, ParticleIndex> &pis,
-                   double distance) const {
+  double get_score_with_cache(Model *m, const Array<D, ParticleIndex> &pis,
+                              double distance) const {
     double score = 0;
 #ifdef IMP_SCORE_FUNCTOR_USE_HDF5
     int distbin =
         potential_.get_index(internal::SoapPotential::DISTANCE, distance);
     if (distbin >= 0) {
-      doublets_.check_cache_valid(m);
       atom::Atom a1(m, pis[0]);
       atom::Atom a2(m, pis[1]);
       // Find the other atoms (if any) in the two doublet(s) that (a1,a2)
@@ -101,11 +104,11 @@ class OrientedSoap : public Score {
     return score;
   }
   template <unsigned int D>
-  DerivativePair get_score_and_derivative(
+  DerivativePair get_score_and_derivative_with_cache(
       Model *m, const Array<D, ParticleIndex> &pis,
       double distance) const {
     // No derivatives are available
-    return DerivativePair(get_score(m, pis, distance), 0.);
+    return DerivativePair(get_score_with_cache(m, pis, distance), 0.);
   }
   template <unsigned int D>
   double get_maximum_range(
@@ -116,7 +119,7 @@ class OrientedSoap : public Score {
   double get_distance_threshold() const { return maxrange_; }
 
   template <unsigned int D>
-  bool get_is_trivially_zero(Model *,
+  bool get_is_trivially_zero_with_cache(Model *,
                              const Array<D, ParticleIndex> &,
                              double squared_distance) const {
     return squared_distance > algebra::get_squared(maxrange_);
diff --git a/modules/score_functor/include/ScoreWithCache.h b/modules/score_functor/include/ScoreWithCache.h
new file mode 100644
index 0000000000..e0ffa5579a
--- /dev/null
+++ b/modules/score_functor/include/ScoreWithCache.h
@@ -0,0 +1,91 @@
+/**
+ *  \file IMP/score_functor/ScoreWithCache.h
+ *  \brief A Score on the distance between a pair of particles, with cache.
+ *
+ *  Copyright 2007-2021 IMP Inventors. All rights reserved.
+ */
+
+#ifndef IMPSCORE_FUNCTOR_SCORE_WITH_CACHE_H
+#define IMPSCORE_FUNCTOR_SCORE_WITH_CACHE_H
+
+#include <IMP/score_functor/score_functor_config.h>
+#include <IMP/base_types.h>
+#include <IMP/particle_index.h>
+#include <IMP/warning_macros.h>
+#include <IMP/Particle.h>
+#include <limits>
+
+IMPSCOREFUNCTOR_BEGIN_NAMESPACE
+
+//! A cached functor for computing a distance based score for D particles.
+/** This is similar to Score but requires callers to call check_cache_valid()
+    in any scoring function evaluation before any of the methods that use
+    the cache. */
+struct ScoreWithCache {
+  // swig gets confused otherwise
+  ScoreWithCache() {}
+#ifdef IMP_DOXYGEN
+  //! Make sure the cache is up to date.
+  /** This must be called in any scoring function evaluation before any
+      of the methods that use the cache. */
+  void check_cache_valid(Model *m) const;
+
+  //! Return the score at the passed feature size (eg distance).
+  /** The involved particle indexes are passed along.
+
+      \pre get_is_trivially_zero_with_cache() or get_maximum_range() has
+           been called and get_is_trivially_zero_with_cache() is false.
+  */
+  template <unsigned int D>
+  double get_score_with_cache(Model *m, const Array<D, ParticleIndex> &p,
+                              double distance) const;
+
+  //! Return the score and derivative at the passed feature size (eg distance).
+  /** The derivative is for the feature decreasing.
+
+      \pre get_is_trivially_zero_with_cache() or get_maximum_range() has
+           been called and get_is_trivially_zero_with_cache() is false.
+  */
+  template <unsigned int D>
+  DerivativePair get_score_and_derivative_with_cache(
+      Model *m, const Array<D, ParticleIndex> &p,
+      double distance) const;
+#endif
+
+  /** Return true if the function can be easily determined to be zero at the
+      passed squared distance. The default implementation provided here
+      returns false.
+
+      \note That it is squared distance, not distance.
+  */
+  template <unsigned int D>
+  bool get_is_trivially_zero_with_cache(Model *m,
+                             const Array<D, ParticleIndex> &p,
+                             double squared_distance) const {
+    IMP_UNUSED(m);
+    IMP_UNUSED(p);
+    IMP_UNUSED(squared_distance);
+    return false;
+  }
+  /** Return an upper bound on the distance at which the score can be
+      non-zero. The default implementation provided here returns infinity. */
+  template <unsigned int D>
+  double get_maximum_range(
+      Model *m, const Array<D, ParticleIndex> &p) const {
+    IMP_UNUSED(m);
+    IMP_UNUSED(p);
+    return std::numeric_limits<double>::infinity();
+  }
+  /** Return the set of particles read when particle p is part of the passed
+      tuples. The default implementation provided here just returns the list
+      containing p. */
+  ModelObjectsTemp get_inputs(
+      Model *m, const ParticleIndexes &pis) const {
+    return IMP::get_particles(m, pis);
+  }
+  void show(std::ostream &) const {}
+};
+
+IMPSCOREFUNCTOR_END_NAMESPACE
+
+#endif /* IMPSCORE_FUNCTOR_SCORE_WITH_CACHE_H */
diff --git a/modules/score_functor/pyext/swig.i-in b/modules/score_functor/pyext/swig.i-in
index a19739c27d..eded18f681 100644
--- a/modules/score_functor/pyext/swig.i-in
+++ b/modules/score_functor/pyext/swig.i-in
@@ -1,6 +1,8 @@
 %include "IMP/score_functor/Score.h"
+%include "IMP/score_functor/ScoreWithCache.h"
 %include "IMP/score_functor/distance_pair_score_macros.h"
 %include "IMP/score_functor/DistancePairScore.h"
+%include "IMP/score_functor/DistancePairScoreWithCache.h"
 %include "IMP/score_functor/SurfaceDistancePairScore.h"
 %include "IMP/score_functor/Statistical.h"
 %template(_DopeBase) IMP::score_functor::Statistical<IMP::score_functor::DopeType, false, true>;

From dc8b3a46709f18b8b5f30b3aee603b2330a2b6a7 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 9 Aug 2021 17:58:57 -0700
Subject: [PATCH 116/250] Use new cached oriented SOAP score

---
 modules/integrative_docking/src/internal/soap_score.cpp | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

diff --git a/modules/integrative_docking/src/internal/soap_score.cpp b/modules/integrative_docking/src/internal/soap_score.cpp
index 65411eb38d..2cf9241f9d 100644
--- a/modules/integrative_docking/src/internal/soap_score.cpp
+++ b/modules/integrative_docking/src/internal/soap_score.cpp
@@ -82,6 +82,7 @@ double oriented_soap_score(const IMP::score_functor::OrientedSoap* soap_score,
   }
 
   // score
+  soap_score->check_cache_valid(model);
   double score = 0.0;
   // iterate ligand atoms
   for (unsigned int l_index = 0; l_index < pis2.size(); l_index++) {
@@ -99,7 +100,7 @@ double oriented_soap_score(const IMP::score_functor::OrientedSoap* soap_score,
         float dist2 =
             IMP::algebra::get_squared_distance(coordinates1[r_index], v);
         if (dist2 < distance_threshold2) {
-          score += soap_score->get_score(
+          score += soap_score->get_score_with_cache(
               model,
               IMP::ParticleIndexPair(pis1[r_index], pis2[l_index]),
               sqrt(dist2));
@@ -121,6 +122,7 @@ double oriented_soap_score(const IMP::score_functor::OrientedSoap* soap_score,
     coordinates.push_back(IMP::core::XYZ(model, pis[i]).get_coordinates());
   }
 
+  soap_score->check_cache_valid(model);
   float distance_threshold = soap_score->get_distance_threshold();
   float distance_threshold2 = distance_threshold * distance_threshold;
 
@@ -131,7 +133,7 @@ double oriented_soap_score(const IMP::score_functor::OrientedSoap* soap_score,
         float dist2 =
           IMP::algebra::get_squared_distance(coordinates[i], coordinates[j]);
         if (dist2 < distance_threshold2) {
-          score += soap_score->get_score(
+          score += soap_score->get_score_with_cache(
               model,
               IMP::ParticleIndexPair(pis[i], pis[j]),
               sqrt(dist2));

From 35deb8093e9d264d6eb8f460e8e65b6dfb0b2e09 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 10 Aug 2021 09:17:02 -0700
Subject: [PATCH 117/250] Exclude ScoreWithCache from standards check

ScoreWithCache, like Score, isn't instantiated in
Python so the usual checks for value or object Python
wrappers aren't applicable.
---
 modules/score_functor/test/standards_exceptions | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/score_functor/test/standards_exceptions b/modules/score_functor/test/standards_exceptions
index 12b0413d6f..bbd6632a8c 100644
--- a/modules/score_functor/test/standards_exceptions
+++ b/modules/score_functor/test/standards_exceptions
@@ -1,5 +1,5 @@
 value_object_exceptions=["Dope", "Score", "UnaryFunctionEvaluate",
-                         "LoopStatistical"]
+                         "LoopStatistical", "ScoreWithCache"]
 function_name_exceptions=[]
 show_exceptions=[]
 spelling_exceptions=[]

From d1e5648aaf53709c71f71da189a085e8ebeeab70 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 10 Aug 2021 09:21:24 -0700
Subject: [PATCH 118/250] Fix build without HDF5

---
 modules/score_functor/include/OrientedSoap.h | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/modules/score_functor/include/OrientedSoap.h b/modules/score_functor/include/OrientedSoap.h
index f832423778..44454325e4 100644
--- a/modules/score_functor/include/OrientedSoap.h
+++ b/modules/score_functor/include/OrientedSoap.h
@@ -73,7 +73,9 @@ class OrientedSoap : public ScoreWithCache {
   }
 
   void check_cache_valid(Model *m) const {
+#ifdef IMP_SCORE_FUNCTOR_USE_HDF5
     doublets_.check_cache_valid(m);
+#endif
   }
 
   template <unsigned int D>

From 09c04483de8276de3a77a611b2543cc5c717b247 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 10 Aug 2021 13:11:44 -0700
Subject: [PATCH 119/250] Avoid unnecessary copy

---
 modules/core/src/rigid_bodies.cpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/modules/core/src/rigid_bodies.cpp b/modules/core/src/rigid_bodies.cpp
index 2c33adcd2b..4582f553ab 100644
--- a/modules/core/src/rigid_bodies.cpp
+++ b/modules/core/src/rigid_bodies.cpp
@@ -599,8 +599,8 @@ void RigidBody::update_members() {
     const ParticleIndexes &members = get_member_particle_indexes();
     Model *m = get_model();
     for (unsigned int i = 0; i < members.size(); ++i) {
-      XYZ rm(get_model(), members[i]);
-      algebra::Vector3D v = m->get_internal_coordinates(members[i]);
+      XYZ rm(m, members[i]);
+      const algebra::Vector3D &v = m->get_internal_coordinates(members[i]);
       rm.set_coordinates(tr.get_transformed(v));
     }
   }

From 1493466cfccc647271cad664946d8e6595276458 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 10 Aug 2021 13:52:22 -0700
Subject: [PATCH 120/250] Faster implementation of get_squared_magnitude()

Since VectorBaseD::get_squared_magnitude() is
very frequently called, replace the existing
implementation (which calls get_scalar_product(*this))
with one that should be slightly faster since it
can skip compatibility and bounds checks.
---
 modules/algebra/include/VectorBaseD.h | 12 +++++++++++-
 1 file changed, 11 insertions(+), 1 deletion(-)

diff --git a/modules/algebra/include/VectorBaseD.h b/modules/algebra/include/VectorBaseD.h
index 65864245b9..e11fdbe138 100644
--- a/modules/algebra/include/VectorBaseD.h
+++ b/modules/algebra/include/VectorBaseD.h
@@ -127,7 +127,17 @@ class VectorBaseD : public GeometricPrimitiveD<D> {
     return ret;
   }
 
-  double get_squared_magnitude() const { return get_scalar_product(*this); }
+  double get_squared_magnitude() const {
+    // Could be equivalently written as get_scalar_product(*this)
+    // This should be faster though since checks on 'o' can be skipped
+    IMP_ALGEBRA_VECTOR_CHECK;
+    double ret = 0;
+    const double *data = get_data();
+    for (unsigned int i = 0; i < get_dimension(); ++i) {
+      ret += data[i] * data[i];
+    }
+    return ret;
+  }
 
   double get_magnitude() const { return std::sqrt(get_squared_magnitude()); }
 

From cb0c5392d1ee92d762fd8e1c32b2d7f0fc50cabf Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 10 Aug 2021 14:24:29 -0700
Subject: [PATCH 121/250] Speed up RigidBody::update_members()

We can be pretty confident that all members
have internal coordinates, since we added them
ourselves, so access the IC array directly and
skip a lot of checks. This makes the update
roughly twice as fast.
---
 modules/core/src/rigid_bodies.cpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/modules/core/src/rigid_bodies.cpp b/modules/core/src/rigid_bodies.cpp
index 4582f553ab..611ee90aa9 100644
--- a/modules/core/src/rigid_bodies.cpp
+++ b/modules/core/src/rigid_bodies.cpp
@@ -598,10 +598,10 @@ void RigidBody::update_members() {
   {
     const ParticleIndexes &members = get_member_particle_indexes();
     Model *m = get_model();
+    algebra::Vector3D const *ic = m->access_internal_coordinates_data();
     for (unsigned int i = 0; i < members.size(); ++i) {
       XYZ rm(m, members[i]);
-      const algebra::Vector3D &v = m->get_internal_coordinates(members[i]);
-      rm.set_coordinates(tr.get_transformed(v));
+      rm.set_coordinates(tr.get_transformed(ic[members[i].get_index()]));
     }
   }
   {

From 8ad9089e7d57fb9ca3813bfa946a6bbdb109cc11 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 12 Aug 2021 11:16:13 -0700
Subject: [PATCH 122/250] Fix typemaps for non-numpy builds

We should only emit numpy-specific code
when the IMP_KERNEL_HAS_NUMPY preprocessor
macro is non-zero, not if it is defined
(it is *always* defined).
---
 modules/kernel/pyext/IMP_kernel.numpy.i         | 2 +-
 modules/kernel/pyext/include/IMP_kernel.types.i | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/modules/kernel/pyext/IMP_kernel.numpy.i b/modules/kernel/pyext/IMP_kernel.numpy.i
index 182ce9cc9c..a73bea0a04 100644
--- a/modules/kernel/pyext/IMP_kernel.numpy.i
+++ b/modules/kernel/pyext/IMP_kernel.numpy.i
@@ -217,7 +217,7 @@ PyObject *_get_sphere_derivatives_numpy(IMP::Model *m, PyObject *m_pyobj)
 }
 
 // Always treat particle indexes as numpy.int32 when using numpy
-#ifdef IMP_KERNEL_HAS_NUMPY
+#if IMP_KERNEL_HAS_NUMPY
 %pythoncode %{
 try:
     import numpy
diff --git a/modules/kernel/pyext/include/IMP_kernel.types.i b/modules/kernel/pyext/include/IMP_kernel.types.i
index 6b18956cdb..b07f079da2 100644
--- a/modules/kernel/pyext/include/IMP_kernel.types.i
+++ b/modules/kernel/pyext/include/IMP_kernel.types.i
@@ -87,7 +87,7 @@
   }
 }
 
-#ifdef IMP_KERNEL_HAS_NUMPY
+#if IMP_KERNEL_HAS_NUMPY
 %typemap(out) IMP::ParticleIndex {
   $result = Convert<IMP::ParticleIndex >::create_python_object($1, $descriptor(IMP::ParticleIndex*), SWIG_POINTER_OWN);
 }

From b8c4d59c97cc1936ac287a3cf350da161e9d01f3 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 13 Aug 2021 17:00:14 -0700
Subject: [PATCH 123/250] Pass moved-particle info to restraint evaluation

Provide an alternative code path for evaluating restraints
that also takes a list of particles that have changed
since the last evaluation (Restraint::evaluate_moved()
and ScoringFunction::evaluate_moved()). This is intended
to be called by optimizers that can guarantee only a subset
of particles have moved (e.g. MonteCarlo). The default
implementation is the same as regular evaluate() but
Restraint or ScoringFunction subclasses can override this
to use the moved-particle information to score more efficiently.
---
 .../core/include/RestraintsScoringFunction.h  | 10 ++-
 .../test/test_restraints_scoring_function.py  | 37 ++++++++
 modules/kernel/include/Restraint.h            | 33 ++++++-
 modules/kernel/include/ScoringFunction.h      | 19 ++++
 .../internal/RestraintsScoringFunction.h      |  8 ++
 .../include/internal/restraint_evaluation.h   |  6 ++
 modules/kernel/src/Restraint.cpp              | 41 +++++++++
 modules/kernel/src/ScoringFunction.cpp        | 14 +++
 .../src/internal/restraint_evaluation.cpp     | 87 ++++++++++++++++---
 9 files changed, 236 insertions(+), 19 deletions(-)

diff --git a/modules/core/include/RestraintsScoringFunction.h b/modules/core/include/RestraintsScoringFunction.h
index e538ff691c..d74eb00499 100644
--- a/modules/core/include/RestraintsScoringFunction.h
+++ b/modules/core/include/RestraintsScoringFunction.h
@@ -33,9 +33,13 @@ class RestraintsScoringFunction :
                             std::string name)
       : IMP::internal::RestraintsScoringFunction(rs, 1.0, NO_MAX, name) {}
 #if defined(SWIG)
-  void do_add_score_and_derivatives(ScoreAccumulator sa,
-                                    const ScoreStatesTemp &ss)
-      IMP_OVERRIDE;
+  void do_add_score_and_derivatives(
+           ScoreAccumulator sa, const ScoreStatesTemp &ss) IMP_OVERRIDE;
+
+  void do_add_score_and_derivatives_moved(
+           ScoreAccumulator sa, const ParticleIndexes &moved_pis,
+           const ScoreStatesTemp &ss) IMP_OVERRIDE;
+
   virtual Restraints create_restraints() const IMP_OVERRIDE;
   virtual ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
   IMP_OBJECT_METHODS(RestraintsScoringFunction);
diff --git a/modules/core/test/test_restraints_scoring_function.py b/modules/core/test/test_restraints_scoring_function.py
index 09558d7588..f4410413cb 100644
--- a/modules/core/test/test_restraints_scoring_function.py
+++ b/modules/core/test/test_restraints_scoring_function.py
@@ -3,6 +3,24 @@
 import IMP.core
 
 
+class TestMovedRestraint(IMP.Restraint):
+    def __init__(self, m, ps, value, name="TestMovedRestraint %1%"):
+        IMP.Restraint.__init__(self, m, name)
+        self.ps = ps
+        self.value = value
+
+    def unprotected_evaluate(self, accum):
+        self.moved_pis = None
+        return self.value
+
+    def unprotected_evaluate_moved(self, accum, moved_pis):
+        self.moved_pis = moved_pis
+        return self.value * 10.
+
+    def do_get_inputs(self):
+        return self.ps
+
+
 class Tests(IMP.test.TestCase):
 
     """Test RestraintSets"""
@@ -42,5 +60,24 @@ def test_weights(self):
         sfda = IMP.core.RestraintsScoringFunction(rda)
         self.assertEqual(sf.evaluate(False), sfda.evaluate(False))
 
+    def test_scoring(self):
+        """Test basic scoring of RestraintsScoringFunction"""
+        m = IMP.Model()
+        p = IMP.Particle(m)
+        r1 = TestMovedRestraint(m, [p], value=42.)
+        sf = IMP.core.RestraintsScoringFunction([r1])
+        self.assertAlmostEqual(sf.evaluate(False), 42., delta=1e-6)
+        self.assertIsNone(r1.moved_pis)
+
+    def test_scoring_moved(self):
+        """Test scoring of RestraintsScoringFunction with moved particles"""
+        m = IMP.Model()
+        p = IMP.Particle(m)
+        r1 = TestMovedRestraint(m, [p], value=42.)
+        sf = IMP.core.RestraintsScoringFunction([r1])
+        self.assertAlmostEqual(sf.evaluate_moved(False, [p]), 420., delta=1e-6)
+        self.assertEqual(r1.moved_pis, IMP.get_indexes([p]))
+
+
 if __name__ == '__main__':
     IMP.test.main()
diff --git a/modules/kernel/include/Restraint.h b/modules/kernel/include/Restraint.h
index bbaf78dcb0..baa27129c4 100644
--- a/modules/kernel/include/Restraint.h
+++ b/modules/kernel/include/Restraint.h
@@ -26,7 +26,7 @@ class DerivativeAccumulator;
 //! A restraint is a term in an \imp ScoringFunction.
 /**
     To implement a new restraint, just implement the two methods:
-    - IMP::Restraint::do_add_score_and_derivatives()
+    - IMP::Restraint::unprotected_evaluate()
     - IMP::ModelObject::do_get_inputs();
     and use the macro to handle IMP::Object
     - IMP_OBJECT_METHODS()
@@ -67,6 +67,17 @@ class IMPKERNELEXPORT Restraint : public ModelObject {
    */
   double evaluate(bool calc_derivs) const;
 
+  //! Score the restraint when some particles have moved.
+  /** No particles in the model other those listed should have been
+      changed since the last evaluation. This method should behave
+      identically to evaluate() but may be more efficient if it can
+      skip terms that involve unchanged particles.
+
+      \return Current score.
+   */
+  double evaluate_moved(bool calc_derivs,
+                        const ParticleIndexes &moved_pis) const;
+
   double evaluate_if_good(bool calc_derivatives) const;
 
   //! \see Model::evaluate_with_maximum()
@@ -86,6 +97,18 @@ class IMPKERNELEXPORT Restraint : public ModelObject {
   */
   //! Return the unweighted score for the restraint.
   virtual double unprotected_evaluate(DerivativeAccumulator *da) const;
+
+  //! Return the unweighted score, taking moving particles into account.
+  /** By default this just calls regular unprotected_evaluate(), but
+      may be overridden by restraints to be more efficient, e.g. by
+      skipping terms that involve unchanged particles.
+   */
+  virtual double unprotected_evaluate_moved(
+           DerivativeAccumulator *da, const ParticleIndexes &moved_pis) const {
+    IMP_UNUSED(moved_pis);
+    return unprotected_evaluate(da);
+  }
+
   /** The function calling this will treat any score >= get_maximum_score
       as bad and so can return early as soon as such a situation is found.*/
   virtual double unprotected_evaluate_if_good(DerivativeAccumulator *da,
@@ -137,6 +160,9 @@ class IMPKERNELEXPORT Restraint : public ModelObject {
   */
   void add_score_and_derivatives(ScoreAccumulator sa) const;
 
+  void add_score_and_derivatives_moved(
+                 ScoreAccumulator sa, const ParticleIndexes &moved_pis) const;
+
   //! Decompose this restraint into constituent terms
   /** Given the set of input particles, decompose the restraint into parts
       that are as simple as possible. For many restraints, the simplest
@@ -235,9 +261,12 @@ class IMPKERNELEXPORT Restraint : public ModelObject {
   virtual Restraints do_create_current_decomposition() const {
     return do_create_decomposition();
   }
-  //! A restraint should override this to compute the score and derivatives.
+
   virtual void do_add_score_and_derivatives(ScoreAccumulator sa) const;
 
+  virtual void do_add_score_and_derivatives_moved(
+                  ScoreAccumulator sa, const ParticleIndexes &moved_pis) const;
+
   /** No outputs. */
   ModelObjectsTemp do_get_outputs() const { return ModelObjectsTemp(); }
 
diff --git a/modules/kernel/include/ScoringFunction.h b/modules/kernel/include/ScoringFunction.h
index 883241b257..28f031f287 100644
--- a/modules/kernel/include/ScoringFunction.h
+++ b/modules/kernel/include/ScoringFunction.h
@@ -49,6 +49,17 @@ class IMPKERNELEXPORT ScoringFunction : public ModelObject {
       is passed.*/
   virtual void do_add_score_and_derivatives(ScoreAccumulator sa,
                                             const ScoreStatesTemp &ss) = 0;
+
+  //! Score when only some particles have moved.
+  /** \see do_add_score_and_derivatives()
+   */
+  virtual void do_add_score_and_derivatives_moved(
+                  ScoreAccumulator sa, const ParticleIndexes &moved_pis,
+                  const ScoreStatesTemp &ss) {
+    IMP_UNUSED(moved_pis);
+    do_add_score_and_derivatives(sa, ss);
+  }
+
   ScoreAccumulator get_score_accumulator_if_below(bool deriv, double max) {
     return ScoreAccumulator(&es_, 1.0, deriv, max, NO_MAX, true);
   }
@@ -76,6 +87,14 @@ class IMPKERNELEXPORT ScoringFunction : public ModelObject {
   */
   double evaluate(bool derivatives);
 
+  //! Score when some particles have moved.
+  /** This should behave identically to evaluate() but may be more
+      efficient if it can skip restraint terms that involve unchanged particles.
+
+      \see evaluate()
+   */
+  double evaluate_moved(bool derivatives, const ParticleIndexes &moved_pis);
+
   double evaluate_if_below(bool derivatives, double max);
 
   /** Return true if the last evaluate satisfied all the restraint
diff --git a/modules/kernel/include/internal/RestraintsScoringFunction.h b/modules/kernel/include/internal/RestraintsScoringFunction.h
index 4ede802b4f..62e941ef7a 100644
--- a/modules/kernel/include/internal/RestraintsScoringFunction.h
+++ b/modules/kernel/include/internal/RestraintsScoringFunction.h
@@ -50,6 +50,14 @@ class GenericRestraintsScoringFunction : public ScoringFunction {
     IMP_OBJECT_LOG;
     protected_evaluate(sa, restraints_, ss, get_model());
   }
+
+  void do_add_score_and_derivatives_moved(IMP::ScoreAccumulator sa,
+                                    const ParticleIndexes &moved_pis,
+                                    const ScoreStatesTemp &ss) IMP_OVERRIDE {
+    IMP_OBJECT_LOG;
+    protected_evaluate_moved(sa, restraints_, moved_pis, ss, get_model());
+  }
+
   Restraints create_restraints() const IMP_OVERRIDE {
     IMP_OBJECT_LOG;
     IMP_NEW(RestraintSet, rs, (get_model(), weight_, get_name() + " wrapper"));
diff --git a/modules/kernel/include/internal/restraint_evaluation.h b/modules/kernel/include/internal/restraint_evaluation.h
index f33b32c4b7..22ee5a6c10 100644
--- a/modules/kernel/include/internal/restraint_evaluation.h
+++ b/modules/kernel/include/internal/restraint_evaluation.h
@@ -28,6 +28,12 @@ IMPKERNELEXPORT void protected_evaluate(IMP::ScoreAccumulator sa,
                                         const ScoreStatesTemp &states,
                                         Model *m);
 
+IMPKERNELEXPORT void protected_evaluate_moved(IMP::ScoreAccumulator sa,
+                                        const RestraintsTemp &restraints,
+                                        const ParticleIndexes &moved_pis,
+                                        const ScoreStatesTemp &states,
+                                        Model *m);
+
 IMPKERNEL_END_INTERNAL_NAMESPACE
 
 #endif /* IMPKERNEL_INTERNAL_RESTRAINT_EVALUATION_H */
diff --git a/modules/kernel/src/Restraint.cpp b/modules/kernel/src/Restraint.cpp
index f266ab3f25..81f0915973 100644
--- a/modules/kernel/src/Restraint.cpp
+++ b/modules/kernel/src/Restraint.cpp
@@ -35,6 +35,13 @@ double Restraint::evaluate(bool calc_derivs) const {
   return sf->evaluate(calc_derivs);
 }
 
+double Restraint::evaluate_moved(
+                bool calc_derivs, const ParticleIndexes &moved_pis) const {
+  IMP_OBJECT_LOG;
+  Pointer<ScoringFunction> sf = create_internal_scoring_function();
+  return sf->evaluate_moved(calc_derivs, moved_pis);
+}
+
 double Restraint::evaluate_if_good(bool calc_derivs) const {
   IMP_OBJECT_LOG;
   Pointer<ScoringFunction> sf = create_internal_scoring_function();
@@ -215,6 +222,28 @@ void Restraint::do_add_score_and_derivatives(ScoreAccumulator sa) const {
   }
 }
 
+void Restraint::do_add_score_and_derivatives_moved(
+                ScoreAccumulator sa, const ParticleIndexes &moved_pis) const {
+  IMP_OBJECT_LOG;
+  if (!sa.get_abort_evaluation()) {
+    double score;
+    if (sa.get_is_evaluate_if_below()) {
+      score = unprotected_evaluate_if_below(sa.get_derivative_accumulator(),
+                                            sa.get_maximum());
+    } else if (sa.get_is_evaluate_if_good()) {
+      score = unprotected_evaluate_if_good(sa.get_derivative_accumulator(),
+                                           sa.get_maximum());
+    } else {
+      score = unprotected_evaluate_moved(sa.get_derivative_accumulator(),
+                                         moved_pis);
+    }
+    IMP_LOG_TERSE("Adding " << score << " from restraint " << get_name()
+                            << std::endl);
+    sa.add_score(score);
+    set_last_score(score);
+  }
+}
+
 double Restraint::get_score() const { return evaluate(false); }
 
 void Restraint::add_score_and_derivatives(ScoreAccumulator sa) const {
@@ -228,4 +257,16 @@ void Restraint::add_score_and_derivatives(ScoreAccumulator sa) const {
   set_was_used(true);
 }
 
+void Restraint::add_score_and_derivatives_moved(
+                ScoreAccumulator sa, const ParticleIndexes &moved_pis) const {
+  IMP_OBJECT_LOG;
+  // implement these in macros to avoid extra virtual function call
+  ScoreAccumulator nsa(sa, this);
+  validate_inputs();
+  validate_outputs();
+  IMP_TASK((nsa, moved_pis), do_add_score_and_derivatives_moved(nsa, moved_pis),
+           "add score and derivatives");
+  set_was_used(true);
+}
+
 IMPKERNEL_END_NAMESPACE
diff --git a/modules/kernel/src/ScoringFunction.cpp b/modules/kernel/src/ScoringFunction.cpp
index 37b270053e..4d74830c8a 100644
--- a/modules/kernel/src/ScoringFunction.cpp
+++ b/modules/kernel/src/ScoringFunction.cpp
@@ -66,6 +66,20 @@ double ScoringFunction::evaluate(bool derivatives) {
   return es_.score;
 }
 
+double ScoringFunction::evaluate_moved(bool derivatives,
+                                       const ParticleIndexes &moved_pis) {
+  IMP_OBJECT_LOG;
+  set_was_used(true);
+  set_has_required_score_states(true);
+  es_.score = 0;
+  es_.good = true;
+  const ScoreAccumulator sa = get_score_accumulator(derivatives);
+  // todo: only get ScoreStates that involve moved_pis?
+  do_add_score_and_derivatives_moved(sa, moved_pis,
+                                     get_required_score_states());
+  return es_.score;
+}
+
 double ScoringFunction::evaluate_if_below(bool derivatives, double max) {
   IMP_OBJECT_LOG;
   set_was_used(true);
diff --git a/modules/kernel/src/internal/restraint_evaluation.cpp b/modules/kernel/src/internal/restraint_evaluation.cpp
index 79570e557d..b22471ac92 100644
--- a/modules/kernel/src/internal/restraint_evaluation.cpp
+++ b/modules/kernel/src/internal/restraint_evaluation.cpp
@@ -48,6 +48,26 @@ void after_protected_evaluate(Model *m, const ScoreStatesTemp &states,
   m->first_call_ = false;
 }
 
+#if IMP_HAS_CHECKS >= IMP_INTERNAL
+template <class RS>
+void check_restraint_and_masks(RS *restraint, Model *m) {
+  internal::SFResetBitset rbr(m->Masks::read_mask_, true);
+  internal::SFResetBitset rbw(m->Masks::write_mask_, true);
+  internal::SFResetBitset rbar(m->Masks::add_remove_mask_, true);
+  internal::SFResetBitset rbrd(m->Masks::read_derivatives_mask_, true);
+  internal::SFResetBitset rbwd(m->Masks::write_derivatives_mask_, true);
+  m->Masks::write_mask_.reset();
+  m->Masks::add_remove_mask_.reset();
+  m->Masks::read_derivatives_mask_.reset();
+  IMP_SF_SET_ONLY(m->Masks::read_mask_, restraint->get_inputs());
+  IMP_SF_SET_ONLY(m->Masks::write_derivatives_mask_,
+                  restraint->get_inputs());
+  IMP_SF_SET_ONLY(m->Masks::read_derivatives_mask_,
+                  restraint->get_inputs());
+  IMP_CHECK_OBJECT(restraint);
+}
+#endif
+
 template <class RS>
 void do_evaluate_one(IMP::ScoreAccumulator sa, RS *restraint,
                      Model *m) {
@@ -55,20 +75,7 @@ void do_evaluate_one(IMP::ScoreAccumulator sa, RS *restraint,
   if (m->first_call_) {
     try {
       SetNumberOfThreads no(1);
-      internal::SFResetBitset rbr(m->Masks::read_mask_, true);
-      internal::SFResetBitset rbw(m->Masks::write_mask_, true);
-      internal::SFResetBitset rbar(m->Masks::add_remove_mask_, true);
-      internal::SFResetBitset rbrd(m->Masks::read_derivatives_mask_, true);
-      internal::SFResetBitset rbwd(m->Masks::write_derivatives_mask_, true);
-      m->Masks::write_mask_.reset();
-      m->Masks::add_remove_mask_.reset();
-      m->Masks::read_derivatives_mask_.reset();
-      IMP_SF_SET_ONLY(m->Masks::read_mask_, restraint->get_inputs());
-      IMP_SF_SET_ONLY(m->Masks::write_derivatives_mask_,
-                      restraint->get_inputs());
-      IMP_SF_SET_ONLY(m->Masks::read_derivatives_mask_,
-                      restraint->get_inputs());
-      IMP_CHECK_OBJECT(restraint);
+      check_restraint_and_masks<RS>(m, restraint);
       restraint->add_score_and_derivatives(sa);
     }
     catch (const InputOutputException &d) {
@@ -84,6 +91,29 @@ void do_evaluate_one(IMP::ScoreAccumulator sa, RS *restraint,
 #endif
 }
 
+template <class RS>
+void do_evaluate_one_moved(IMP::ScoreAccumulator sa, RS *restraint,
+                     const ParticleIndexes &moved_pis, Model *m) {
+#if IMP_HAS_CHECKS >= IMP_INTERNAL
+  if (m->first_call_) {
+    try {
+      SetNumberOfThreads no(1);
+      check_restraint_and_masks<RS>(m, restraint);
+      restraint->add_score_and_derivatives_moved(sa, moved_pis);
+    }
+    catch (const InputOutputException &d) {
+      IMP_FAILURE(d.get_message(restraint));
+    }
+  } else {
+    IMP_CHECK_OBJECT(restraint);
+    restraint->add_score_and_derivatives_moved(sa, moved_pis);
+  }
+#else
+  IMP_UNUSED(m);
+  restraint->add_score_and_derivatives_moved(sa, moved_pis);
+#endif
+}
+
 template <class RS>
 void protected_evaluate_many(IMP::ScoreAccumulator sa,
                              const RS &restraints,
@@ -102,6 +132,26 @@ void protected_evaluate_many(IMP::ScoreAccumulator sa,
   after_protected_evaluate(m, states, sa.get_derivative_accumulator());
 }
 
+template <class RS>
+void protected_evaluate_many_moved(IMP::ScoreAccumulator sa,
+                             const RS &restraints,
+                             const ParticleIndexes &moved_pis,
+                             const ScoreStatesTemp &states, Model *m) {
+  before_protected_evaluate(m, states, sa.get_derivative_accumulator());
+  internal::SFSetIt<IMP::internal::Stage> reset(&m->cur_stage_,
+                                                        internal::EVALUATING);
+  {
+    // todo: skip restraints that don't take moved_pis as input
+    for (unsigned int i = 0; i < restraints.size(); ++i) {
+      IMP_CHECK_OBJECT(restraints[i].get());
+      do_evaluate_one_moved(sa, restraints[i].get(), moved_pis, m);
+    }
+    IMP_OMP_PRAGMA(taskwait)
+    IMP_OMP_PRAGMA(flush)
+  }
+  after_protected_evaluate(m, states, sa.get_derivative_accumulator());
+}
+
 template <class RS>
 void unprotected_evaluate_one(IMP::ScoreAccumulator sa, RS *restraint,
                               Model *m) {
@@ -141,4 +191,13 @@ void protected_evaluate(IMP::ScoreAccumulator sa,
   protected_evaluate_many<Restraints>(sa, restraints, states, m);
 }
 
+void protected_evaluate_moved(IMP::ScoreAccumulator sa,
+                        const RestraintsTemp &restraints,
+                        const ParticleIndexes &moved_pis,
+                        const ScoreStatesTemp &states, Model *m) {
+  protected_evaluate_many_moved<RestraintsTemp>(sa, restraints, moved_pis,
+                                                states, m);
+}
+
+
 IMPKERNEL_END_INTERNAL_NAMESPACE

From eda259e51f887453deaf5f1b42edf01e45cc9878 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 13 Aug 2021 17:11:21 -0700
Subject: [PATCH 124/250] Note that PMI now handles MSE

---
 ChangeLog.md | 3 +++
 1 file changed, 3 insertions(+)

diff --git a/ChangeLog.md b/ChangeLog.md
index 25d2fe1312..dccecfffc9 100644
--- a/ChangeLog.md
+++ b/ChangeLog.md
@@ -10,6 +10,9 @@ ChangeLog {#changelog}
   or lists of ParticleIndexes, now return NumPy arrays if IMP is built with
   NumPy. Code that adds lists or searches for particle pairs in a list may
   need to be modified as NumPy arrays are slightly different from Python lists.
+- IMP::pmi now handles MSE (selenomethionine) residues in input structures;
+  structure is read for such residues and they are considered equivalent to
+  regular MET in the FASTA sequence.
 - The deprecated methods
   IMP::{Singleton,Pair,Triplet,Quad}Predicate::get_value() have been removed.
   Use the get_value_index() methods instead.

From e0c6c7773b49554d40cf2487e948a6ab629d6520 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 13 Aug 2021 17:51:03 -0700
Subject: [PATCH 125/250] Add _if_good and _if_below moved variants

Add evaluate_moved_if_below() and
evaluate_moved_if_good() methods to both
Restraint and ScoringFunction so that both
score threshold and moved particle information
can possibly be used to speed up evaluation.
---
 .../test/test_restraints_scoring_function.py  |  7 +++++
 modules/kernel/include/Restraint.h            | 21 ++++++++++++++
 modules/kernel/include/ScoringFunction.h      |  6 ++++
 modules/kernel/src/Restraint.cpp              | 23 ++++++++++++---
 modules/kernel/src/ScoringFunction.cpp        | 29 +++++++++++++++++++
 5 files changed, 82 insertions(+), 4 deletions(-)

diff --git a/modules/core/test/test_restraints_scoring_function.py b/modules/core/test/test_restraints_scoring_function.py
index f4410413cb..275358bf5e 100644
--- a/modules/core/test/test_restraints_scoring_function.py
+++ b/modules/core/test/test_restraints_scoring_function.py
@@ -67,6 +67,9 @@ def test_scoring(self):
         r1 = TestMovedRestraint(m, [p], value=42.)
         sf = IMP.core.RestraintsScoringFunction([r1])
         self.assertAlmostEqual(sf.evaluate(False), 42., delta=1e-6)
+        self.assertAlmostEqual(sf.evaluate_if_good(False), 42., delta=1e-6)
+        self.assertAlmostEqual(sf.evaluate_if_below(False, 1e6),
+                               42., delta=1e-6)
         self.assertIsNone(r1.moved_pis)
 
     def test_scoring_moved(self):
@@ -76,6 +79,10 @@ def test_scoring_moved(self):
         r1 = TestMovedRestraint(m, [p], value=42.)
         sf = IMP.core.RestraintsScoringFunction([r1])
         self.assertAlmostEqual(sf.evaluate_moved(False, [p]), 420., delta=1e-6)
+        self.assertAlmostEqual(sf.evaluate_moved_if_good(False, [p]),
+                               420., delta=1e-6)
+        self.assertAlmostEqual(sf.evaluate_moved_if_below(False, [p], 1e6),
+                               420., delta=1e-6)
         self.assertEqual(r1.moved_pis, IMP.get_indexes([p]))
 
 
diff --git a/modules/kernel/include/Restraint.h b/modules/kernel/include/Restraint.h
index baa27129c4..29dea08f56 100644
--- a/modules/kernel/include/Restraint.h
+++ b/modules/kernel/include/Restraint.h
@@ -78,6 +78,12 @@ class IMPKERNELEXPORT Restraint : public ModelObject {
   double evaluate_moved(bool calc_derivs,
                         const ParticleIndexes &moved_pis) const;
 
+  double evaluate_moved_if_below(bool calc_derivatives,
+                      const ParticleIndexes &moved_pis, double max) const;
+
+  double evaluate_moved_if_good(bool calc_derivatives,
+                      const ParticleIndexes &moved_pis) const;
+
   double evaluate_if_good(bool calc_derivatives) const;
 
   //! \see Model::evaluate_with_maximum()
@@ -123,6 +129,21 @@ class IMPKERNELEXPORT Restraint : public ModelObject {
     IMP_UNUSED(max);
     return unprotected_evaluate(da);
   }
+
+  virtual double unprotected_evaluate_moved_if_below(
+           DerivativeAccumulator *da, const ParticleIndexes &moved_pis,
+           double max) const {
+    IMP_UNUSED(max);
+    return unprotected_evaluate_moved(da, moved_pis);
+  }
+
+  virtual double unprotected_evaluate_moved_if_good(
+           DerivativeAccumulator *da, const ParticleIndexes &moved_pis,
+           double max) const {
+    IMP_UNUSED(max);
+    return unprotected_evaluate_moved(da, moved_pis);
+  }
+
 /** @} */
 
 #endif
diff --git a/modules/kernel/include/ScoringFunction.h b/modules/kernel/include/ScoringFunction.h
index 28f031f287..e73f0ffeec 100644
--- a/modules/kernel/include/ScoringFunction.h
+++ b/modules/kernel/include/ScoringFunction.h
@@ -95,6 +95,12 @@ class IMPKERNELEXPORT ScoringFunction : public ModelObject {
    */
   double evaluate_moved(bool derivatives, const ParticleIndexes &moved_pis);
 
+  double evaluate_moved_if_below(
+             bool derivatives, const ParticleIndexes &moved_pis, double max);
+
+  double evaluate_moved_if_good(
+             bool derivatives, const ParticleIndexes &moved_pis);
+
   double evaluate_if_below(bool derivatives, double max);
 
   /** Return true if the last evaluate satisfied all the restraint
diff --git a/modules/kernel/src/Restraint.cpp b/modules/kernel/src/Restraint.cpp
index 81f0915973..536c296755 100644
--- a/modules/kernel/src/Restraint.cpp
+++ b/modules/kernel/src/Restraint.cpp
@@ -42,6 +42,21 @@ double Restraint::evaluate_moved(
   return sf->evaluate_moved(calc_derivs, moved_pis);
 }
 
+double Restraint::evaluate_moved_if_below(
+                bool calc_derivs, const ParticleIndexes &moved_pis,
+                double max) const {
+  IMP_OBJECT_LOG;
+  Pointer<ScoringFunction> sf = create_internal_scoring_function();
+  return sf->evaluate_moved_if_below(calc_derivs, moved_pis, max);
+}
+
+double Restraint::evaluate_moved_if_good(
+                bool calc_derivs, const ParticleIndexes &moved_pis) const {
+  IMP_OBJECT_LOG;
+  Pointer<ScoringFunction> sf = create_internal_scoring_function();
+  return sf->evaluate_moved_if_good(calc_derivs, moved_pis);
+}
+
 double Restraint::evaluate_if_good(bool calc_derivs) const {
   IMP_OBJECT_LOG;
   Pointer<ScoringFunction> sf = create_internal_scoring_function();
@@ -228,11 +243,11 @@ void Restraint::do_add_score_and_derivatives_moved(
   if (!sa.get_abort_evaluation()) {
     double score;
     if (sa.get_is_evaluate_if_below()) {
-      score = unprotected_evaluate_if_below(sa.get_derivative_accumulator(),
-                                            sa.get_maximum());
+      score = unprotected_evaluate_moved_if_below(
+                 sa.get_derivative_accumulator(), moved_pis, sa.get_maximum());
     } else if (sa.get_is_evaluate_if_good()) {
-      score = unprotected_evaluate_if_good(sa.get_derivative_accumulator(),
-                                           sa.get_maximum());
+      score = unprotected_evaluate_moved_if_good(
+                 sa.get_derivative_accumulator(), moved_pis, sa.get_maximum());
     } else {
       score = unprotected_evaluate_moved(sa.get_derivative_accumulator(),
                                          moved_pis);
diff --git a/modules/kernel/src/ScoringFunction.cpp b/modules/kernel/src/ScoringFunction.cpp
index 4d74830c8a..b11f6c0bb6 100644
--- a/modules/kernel/src/ScoringFunction.cpp
+++ b/modules/kernel/src/ScoringFunction.cpp
@@ -80,6 +80,35 @@ double ScoringFunction::evaluate_moved(bool derivatives,
   return es_.score;
 }
 
+double ScoringFunction::evaluate_moved_if_below(bool derivatives,
+                                       const ParticleIndexes &moved_pis,
+                                       double max) {
+  IMP_OBJECT_LOG;
+  set_was_used(true);
+  set_has_required_score_states(true);
+  es_.score = 0;
+  es_.good = true;
+  const ScoreAccumulator sa = get_score_accumulator_if_below(derivatives, max);
+  // todo: only get ScoreStates that involve moved_pis?
+  do_add_score_and_derivatives_moved(sa, moved_pis,
+                                     get_required_score_states());
+  return es_.score;
+}
+
+double ScoringFunction::evaluate_moved_if_good(bool derivatives,
+                                       const ParticleIndexes &moved_pis) {
+  IMP_OBJECT_LOG;
+  set_was_used(true);
+  set_has_required_score_states(true);
+  es_.score = 0;
+  es_.good = true;
+  const ScoreAccumulator sa = get_score_accumulator_if_good(derivatives);
+  // todo: only get ScoreStates that involve moved_pis?
+  do_add_score_and_derivatives_moved(sa, moved_pis,
+                                     get_required_score_states());
+  return es_.score;
+}
+
 double ScoringFunction::evaluate_if_below(bool derivatives, double max) {
   IMP_OBJECT_LOG;
   set_was_used(true);

From ee2e4d3e91481a9e9e203f8fba13236faa1fbd4d Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 13 Aug 2021 18:08:50 -0700
Subject: [PATCH 126/250] Pass moved-particles from MonteCarlo to restraints

Pass the list of particles that moved at each
Monte Carlo step to the ScoringFunction and thus
to the Restraints.
---
 modules/core/include/MonteCarlo.h | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/modules/core/include/MonteCarlo.h b/modules/core/include/MonteCarlo.h
index 24916b0a2a..7f2dd72f0c 100644
--- a/modules/core/include/MonteCarlo.h
+++ b/modules/core/include/MonteCarlo.h
@@ -182,10 +182,10 @@ class IMPCOREEXPORT MonteCarlo : public Optimizer {
       isf_->set_moved_particles(moved);
     }
     if (get_maximum_difference() < NO_MAX) {
-      return get_scoring_function()->evaluate_if_below(
-          false, last_energy_ + max_difference_);
+      return get_scoring_function()->evaluate_moved_if_below(
+          false, moved, last_energy_ + max_difference_);
     } else {
-      return get_scoring_function()->evaluate(false);
+      return get_scoring_function()->evaluate_moved(false, moved);
     }
   }
 

From 548a11f73a54af4e7f70180b827b42edd077251e Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Sat, 14 Aug 2021 08:34:07 -0700
Subject: [PATCH 127/250] Correct argument order

---
 modules/kernel/src/internal/restraint_evaluation.cpp | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/modules/kernel/src/internal/restraint_evaluation.cpp b/modules/kernel/src/internal/restraint_evaluation.cpp
index b22471ac92..d103e25c81 100644
--- a/modules/kernel/src/internal/restraint_evaluation.cpp
+++ b/modules/kernel/src/internal/restraint_evaluation.cpp
@@ -75,7 +75,7 @@ void do_evaluate_one(IMP::ScoreAccumulator sa, RS *restraint,
   if (m->first_call_) {
     try {
       SetNumberOfThreads no(1);
-      check_restraint_and_masks<RS>(m, restraint);
+      check_restraint_and_masks<RS>(restraint, m);
       restraint->add_score_and_derivatives(sa);
     }
     catch (const InputOutputException &d) {
@@ -98,7 +98,7 @@ void do_evaluate_one_moved(IMP::ScoreAccumulator sa, RS *restraint,
   if (m->first_call_) {
     try {
       SetNumberOfThreads no(1);
-      check_restraint_and_masks<RS>(m, restraint);
+      check_restraint_and_masks<RS>(restraint, m);
       restraint->add_score_and_derivatives_moved(sa, moved_pis);
     }
     catch (const InputOutputException &d) {

From 9b8806f433bdff2860b4836fd95ec3552f64a0e7 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Sat, 14 Aug 2021 08:36:55 -0700
Subject: [PATCH 128/250] Add exceptions for moved-particle methods

---
 modules/test/pyext/src/__init__.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/modules/test/pyext/src/__init__.py b/modules/test/pyext/src/__init__.py
index bc6dbe8a9a..7142825226 100644
--- a/modules/test/pyext/src/__init__.py
+++ b/modules/test/pyext/src/__init__.py
@@ -545,6 +545,8 @@ def _check_function_name(self, prefix, name, verbs, all, exceptions, words,
         old_exceptions = [
             'unprotected_evaluate', "unprotected_evaluate_if_good",
             "unprotected_evaluate_if_below",
+            'unprotected_evaluate_moved', "unprotected_evaluate_moved_if_good",
+            "unprotected_evaluate_moved_if_below",
             "after_evaluate", "before_evaluate", "has_attribute",
             "decorate_particle", "particle_is_instance"]
         if name in old_exceptions:

From c9db7362df5bac2a26e6c0f8bc67e883128244b7 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Sun, 15 Aug 2021 11:56:32 -0700
Subject: [PATCH 129/250] moved_pis should be shared, not private

---
 modules/kernel/src/Restraint.cpp | 5 +++--
 1 file changed, 3 insertions(+), 2 deletions(-)

diff --git a/modules/kernel/src/Restraint.cpp b/modules/kernel/src/Restraint.cpp
index 536c296755..0d60afb1af 100644
--- a/modules/kernel/src/Restraint.cpp
+++ b/modules/kernel/src/Restraint.cpp
@@ -279,8 +279,9 @@ void Restraint::add_score_and_derivatives_moved(
   ScoreAccumulator nsa(sa, this);
   validate_inputs();
   validate_outputs();
-  IMP_TASK((nsa, moved_pis), do_add_score_and_derivatives_moved(nsa, moved_pis),
-           "add score and derivatives");
+  IMP_TASK_SHARED((nsa), (moved_pis),
+                  do_add_score_and_derivatives_moved(nsa, moved_pis),
+                  "add score and derivatives");
   set_was_used(true);
 }
 

From c7f572d1299a39edef81774eb5c082c69e7e75c8 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 16 Aug 2021 19:04:34 -0700
Subject: [PATCH 130/250] Speed up RestraintSet when one particle moves

If only one particle moved, have RestraintSet
skip restraints that don't depend on that particle,
and use last-score values instead. Test to make sure
that changing weights correctly changes the total score.
---
 modules/kernel/include/RestraintSet.h      |   3 +
 modules/kernel/src/RestraintSet.cpp        |  23 ++++
 modules/kernel/test/test_restraint_sets.py | 131 +++++++++++++++++++++
 3 files changed, 157 insertions(+)

diff --git a/modules/kernel/include/RestraintSet.h b/modules/kernel/include/RestraintSet.h
index 775de1b23a..741ae448ee 100644
--- a/modules/kernel/include/RestraintSet.h
+++ b/modules/kernel/include/RestraintSet.h
@@ -51,6 +51,7 @@ class IMPKERNELEXPORT RestraintSet : public Restraint {
                const std::string &name = "RestraintSet %1%");
 
   double unprotected_evaluate(DerivativeAccumulator *da) const;
+
   IMP_OBJECT_METHODS(RestraintSet);
   /** @name Methods to control the nested Restraint objects
 
@@ -82,6 +83,8 @@ class IMPKERNELEXPORT RestraintSet : public Restraint {
   Restraints do_create_decomposition() const;
   Restraints do_create_current_decomposition() const;
   void do_add_score_and_derivatives(ScoreAccumulator sa) const;
+  void do_add_score_and_derivatives_moved(
+                  ScoreAccumulator sa, const ParticleIndexes &moved_pis) const;
 #endif
 };
 
diff --git a/modules/kernel/src/RestraintSet.cpp b/modules/kernel/src/RestraintSet.cpp
index a46dc075de..56baaa6fd8 100644
--- a/modules/kernel/src/RestraintSet.cpp
+++ b/modules/kernel/src/RestraintSet.cpp
@@ -58,6 +58,29 @@ void RestraintSet::do_add_score_and_derivatives(ScoreAccumulator sa) const {
   IMP_OMP_PRAGMA(taskwait)
 }
 
+void RestraintSet::do_add_score_and_derivatives_moved(
+                ScoreAccumulator sa, const ParticleIndexes &moved_pis) const {
+  // If we only want the score, and only a single particle moved, only
+  // evaluate the restraints that depend on that particle, and use the
+  // last score for the rest
+  if (!sa.get_derivative_accumulator() && moved_pis.size() == 1) {
+    RestraintsTemp rs = get_dependent_restraints(get_model(), moved_pis[0]);
+    std::set<Restraint *> rsset(rs.begin(), rs.end());
+    for (unsigned int i = 0; i < get_number_of_restraints(); ++i) {
+      Restraint *r = get_restraint(i);
+      if (rsset.find(r) == rsset.end()) {
+        sa.add_score(r->get_last_score() * r->get_weight());
+      } else {
+        r->add_score_and_derivatives_moved(sa, moved_pis);
+      }
+    }
+  } else {
+    do_add_score_and_derivatives(sa);
+  }
+  // for child tasks
+  IMP_OMP_PRAGMA(taskwait)
+}
+
 double RestraintSet::get_last_score() const {
   double ret = 0;
   for (unsigned int i = 0; i < get_number_of_restraints(); ++i) {
diff --git a/modules/kernel/test/test_restraint_sets.py b/modules/kernel/test/test_restraint_sets.py
index d5a181be16..9e96629be8 100644
--- a/modules/kernel/test/test_restraint_sets.py
+++ b/modules/kernel/test/test_restraint_sets.py
@@ -3,6 +3,46 @@
 import IMP.core
 import IMP.test
 
+class LinkScoreState(IMP.ScoreState):
+    """ScoreState that links one particle to another"""
+
+    def __init__(self, m, pin, pout):
+        IMP.ScoreState.__init__(self, m, "LinkScoreState%1%")
+        self.pin, self.pout = pin, pout
+
+    def do_before_evaluate(self):
+        pass
+
+    def do_after_evaluate(self, accum):
+        pass
+
+    def do_get_inputs(self):
+        return [self.pin]
+
+    def do_get_outputs(self):
+        return [self.pout]
+
+
+class LogRestraint(IMP.Restraint):
+    """Restraint that logs how it was called (or skipped)"""
+
+    def __init__(self, m, ps, value):
+        IMP.Restraint.__init__(self, m, 'LogRestraint%1%')
+        self.ps = ps
+        self.value = value
+        self.moved_evaluate = None
+
+    def unprotected_evaluate(self, accum):
+        self.moved_evaluate = False
+        return self.value
+
+    def unprotected_evaluate_moved(self, accum, moved_pis):
+        self.moved_evaluate = True
+        return self.value
+
+    def do_get_inputs(self):
+        return self.ps
+
 
 class Tests(IMP.test.TestCase):
 
@@ -61,5 +101,96 @@ def test_removed(self):
         del rs
         print("destroyed", r1.evaluate(False))
 
+    def test_evaluate_moved(self):
+        """Test scoring with moved particles"""
+        m = IMP.Model()
+        p1 = IMP.Particle(m)
+        p2 = IMP.Particle(m)
+        p3 = IMP.Particle(m)
+        p4 = IMP.Particle(m)
+        ss = LinkScoreState(m, p3, p4)
+        m.add_score_state(ss)
+        r1 = LogRestraint(m, [p1], 100.0)
+        r4 = LogRestraint(m, [p4], 10.0)
+        rs = IMP.RestraintSet(m, 1.0, 'rs')
+        innerrs = IMP.RestraintSet(m, 1.0, 'rs')
+        innerrs.add_restraints([r1, r4])
+        rs.add_restraint(innerrs)
+        def clear_restraints():
+            r1.moved_evaluate = r4.moved_evaluate = None
+        # Plain evaluate should *not* call the evaluate_moved method on r1,r4
+        clear_restraints()
+        self.assertAlmostEqual(rs.evaluate(False), 110.0, delta=1e-6)
+        self.assertFalse(r1.moved_evaluate)
+        self.assertFalse(r4.moved_evaluate)
+
+        # If we move p1, r1 should be evaluate_moved, r4 skipped
+        # (and score should be unchanged, of course)
+        clear_restraints()
+        self.assertAlmostEqual(rs.evaluate_moved(False, [p1]),
+                               110.0, delta=1e-6)
+        self.assertTrue(r1.moved_evaluate)
+        self.assertIsNone(r4.moved_evaluate)
+
+        # No restraints depend on p2
+        clear_restraints()
+        self.assertAlmostEqual(rs.evaluate_moved(False, [p2]),
+                               110.0, delta=1e-6)
+        self.assertIsNone(r1.moved_evaluate)
+        self.assertIsNone(r4.moved_evaluate)
+
+        # If we move p3, p4 is touched (by the LinkScoreState) so r4 should
+        # be evaluate_moved
+        clear_restraints()
+        self.assertAlmostEqual(rs.evaluate_moved(False, [p3]),
+                               110.0, delta=1e-6)
+        self.assertIsNone(r1.moved_evaluate)
+        self.assertTrue(r4.moved_evaluate)
+
+        # p4 causes r4 to be updated
+        clear_restraints()
+        self.assertAlmostEqual(rs.evaluate_moved(False, [p4]),
+                               110.0, delta=1e-6)
+        self.assertIsNone(r1.moved_evaluate)
+        self.assertTrue(r4.moved_evaluate)
+
+        # Moves of multiple particles are not currently handled and will
+        # fall back to plain evaluate
+        clear_restraints()
+        self.assertAlmostEqual(rs.evaluate_moved(False, [p1, p2]),
+                               110.0, delta=1e-6)
+        self.assertFalse(r1.moved_evaluate)
+        self.assertFalse(r4.moved_evaluate)
+
+        # Moves with derivatives are not currently handled and will
+        # fall back to plain evaluate
+        clear_restraints()
+        self.assertAlmostEqual(rs.evaluate_moved(True, [p1]),
+                               110.0, delta=1e-6)
+        self.assertFalse(r1.moved_evaluate)
+        self.assertFalse(r4.moved_evaluate)
+
+        # Changes in weights should be handled
+        innerrs.set_weight(2.)
+        self.assertAlmostEqual(rs.evaluate_moved(False, [p1]),
+                               220.0, delta=1e-6)
+        innerrs.set_weight(1.)
+
+        # Changing weight of an evaluated restraint should be OK
+        r1.set_weight(2.)
+        clear_restraints()
+        self.assertAlmostEqual(rs.evaluate_moved(False, [p1]),
+                               210.0, delta=1e-6)
+        self.assertTrue(r1.moved_evaluate)
+        self.assertIsNone(r4.moved_evaluate)
+
+        # Changing weight of a skipped restraint should be OK
+        clear_restraints()
+        self.assertAlmostEqual(rs.evaluate_moved(False, [p4]),
+                               210.0, delta=1e-6)
+        self.assertIsNone(r1.moved_evaluate)
+        self.assertTrue(r4.moved_evaluate)
+
+
 if __name__ == '__main__':
     IMP.test.main()

From 8cd9800265df06b5f77cbfd6d5b98eeb4b1b206a Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 16 Aug 2021 19:13:34 -0700
Subject: [PATCH 131/250] Disable MonteCarlo-moved by default for now

Don't turn on the "only evaluate score on moved
particles" optimizations for MonteCarlo yet by
default, in case something is very broken.
---
 modules/core/include/MonteCarlo.h | 25 +++++++++++++++++++++----
 modules/core/src/MonteCarlo.cpp   |  1 +
 2 files changed, 22 insertions(+), 4 deletions(-)

diff --git a/modules/core/include/MonteCarlo.h b/modules/core/include/MonteCarlo.h
index 7f2dd72f0c..4da100d2c8 100644
--- a/modules/core/include/MonteCarlo.h
+++ b/modules/core/include/MonteCarlo.h
@@ -56,6 +56,14 @@ class IMPCOREEXPORT MonteCarlo : public Optimizer {
   */
   void set_return_best(bool tf) { return_best_ = tf; }
 
+  //! If set true (default false), only rescore moved particles
+  /** By default, on each move the score of the entire system is
+      calculated. If it is guaranteed that only Movers and ScoreStates
+      move the system, then the score can potentially be calculated
+      more quickly by caching the scores on parts of the system that
+      don't move. This is still experimental. */
+  void set_score_moved(bool mv) { score_moved_ = mv; }
+
   /** \name kT
       The kT value has to be on the same scale as the differences
       in energy between good and bad states (and so the default is
@@ -177,15 +185,23 @@ class IMPCOREEXPORT MonteCarlo : public Optimizer {
       The list of moved particles is passed.
    */
   virtual double do_evaluate(const ParticleIndexes &moved) const {
-    IMP_UNUSED(moved);
     if (isf_) {
       isf_->set_moved_particles(moved);
     }
     if (get_maximum_difference() < NO_MAX) {
-      return get_scoring_function()->evaluate_moved_if_below(
-          false, moved, last_energy_ + max_difference_);
+      if (score_moved_) {
+        return get_scoring_function()->evaluate_moved_if_below(
+            false, moved, last_energy_ + max_difference_);
+      } else {
+        return get_scoring_function()->evaluate_if_below(
+            false, last_energy_ + max_difference_);
+      }
     } else {
-      return get_scoring_function()->evaluate_moved(false, moved);
+      if (score_moved_) {
+        return get_scoring_function()->evaluate(false);
+      } else {
+        return get_scoring_function()->evaluate_moved(false, moved);
+      }
     }
   }
 
@@ -198,6 +214,7 @@ class IMPCOREEXPORT MonteCarlo : public Optimizer {
   unsigned int stat_upward_steps_taken_;
   unsigned int stat_num_failures_;
   bool return_best_;
+  bool score_moved_;
   double min_score_;
   IMP::PointerMember<Configuration> best_;
   ::boost::uniform_real<> rand_;
diff --git a/modules/core/src/MonteCarlo.cpp b/modules/core/src/MonteCarlo.cpp
index 6f7bb6a0f7..72f72311b9 100644
--- a/modules/core/src/MonteCarlo.cpp
+++ b/modules/core/src/MonteCarlo.cpp
@@ -29,6 +29,7 @@ MonteCarlo::MonteCarlo(Model *m)
       stat_upward_steps_taken_(0),
       stat_num_failures_(0),
       return_best_(true),
+      score_moved_(false),
       rand_(0, 1) {
   min_score_ = -std::numeric_limits<double>::max();
 }

From 050e7b9826c2e9bf28007235f9b0e0c189060f09 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 17 Aug 2021 00:18:43 -0700
Subject: [PATCH 132/250] Fix reversed check

---
 modules/core/include/MonteCarlo.h | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/modules/core/include/MonteCarlo.h b/modules/core/include/MonteCarlo.h
index 4da100d2c8..ab0cbf084a 100644
--- a/modules/core/include/MonteCarlo.h
+++ b/modules/core/include/MonteCarlo.h
@@ -198,9 +198,9 @@ class IMPCOREEXPORT MonteCarlo : public Optimizer {
       }
     } else {
       if (score_moved_) {
-        return get_scoring_function()->evaluate(false);
-      } else {
         return get_scoring_function()->evaluate_moved(false, moved);
+      } else {
+        return get_scoring_function()->evaluate(false);
       }
     }
   }

From 072a3e5ff3b7e771a8b535f7a888981c004be944 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 17 Aug 2021 00:36:58 -0700
Subject: [PATCH 133/250] Speed up LogWrapper when one particle moves

Use similar logic to that in RestraintSet to
speed up evaluation when only one particle moves.
---
 modules/isd/include/LogWrapper.h     |  5 ++
 modules/isd/src/LogWrapper.cpp       | 43 +++++++++++++-
 modules/isd/test/test_log_wrapper.py | 88 ++++++++++++++++++++++++++++
 3 files changed, 135 insertions(+), 1 deletion(-)
 create mode 100644 modules/isd/test/test_log_wrapper.py

diff --git a/modules/isd/include/LogWrapper.h b/modules/isd/include/LogWrapper.h
index 1d1323569b..7d740b24b4 100644
--- a/modules/isd/include/LogWrapper.h
+++ b/modules/isd/include/LogWrapper.h
@@ -30,7 +30,12 @@ class IMPISDEXPORT LogWrapper : public RestraintSet {
 
     virtual double unprotected_evaluate(
         IMP::DerivativeAccumulator* accum) const IMP_OVERRIDE;
+    virtual double unprotected_evaluate_moved(
+        IMP::DerivativeAccumulator* accum,
+        const ParticleIndexes &moved_pis) const IMP_OVERRIDE;
     void do_add_score_and_derivatives(ScoreAccumulator sa) const;
+    void do_add_score_and_derivatives_moved(
+                  ScoreAccumulator sa, const ParticleIndexes &moved_pis) const;
 
     IMP_OBJECT_METHODS(LogWrapper);
 
diff --git a/modules/isd/src/LogWrapper.cpp b/modules/isd/src/LogWrapper.cpp
index d23e4866a2..fc64130c86 100644
--- a/modules/isd/src/LogWrapper.cpp
+++ b/modules/isd/src/LogWrapper.cpp
@@ -28,7 +28,9 @@ double LogWrapper::unprotected_evaluate(DerivativeAccumulator* accum) const {
     double score = 0;
 
     for (unsigned int i = 0; i <get_number_of_restraints(); ++i) {
-      prob *= get_restraint(i)->unprotected_evaluate(accum);
+      double rsrval = get_restraint(i)->unprotected_evaluate(accum);
+      get_restraint(i)->set_last_score(rsrval);
+      prob *= rsrval;
       if (prob<=std::numeric_limits<double>::min()*1000000.0){
         score=score-std::log(prob);
         prob=1.0;
@@ -42,11 +44,50 @@ double LogWrapper::unprotected_evaluate(DerivativeAccumulator* accum) const {
     return score;
 }
 
+double LogWrapper::unprotected_evaluate_moved(
+        DerivativeAccumulator* accum, const ParticleIndexes &moved_pis) const {
+  // If we only want the score, and only a single particle moved, only
+  // evaluate the restraints that depend on that particle, and use the
+  // last score for the rest
+  if (!accum && moved_pis.size() == 1) {
+    RestraintsTemp rs = get_dependent_restraints(get_model(), moved_pis[0]);
+    std::set<Restraint *> rsset(rs.begin(), rs.end());
+
+    double prob = 1;
+    double score = 0;
+
+    for (unsigned int i = 0; i <get_number_of_restraints(); ++i) {
+      Restraint *r = get_restraint(i);
+      if (rsset.find(r) == rsset.end()) {
+        prob *= r->get_last_score();
+      } else {
+        double rsrval = r->unprotected_evaluate_moved(accum, moved_pis);
+        r->set_last_score(rsrval);
+        prob *= rsrval;
+      }
+      if (prob<=std::numeric_limits<double>::min()*1000000.0){
+        score=score-std::log(prob);
+        prob=1.0;
+      }
+    }
+
+    return score-std::log(prob);
+  } else {
+    return unprotected_evaluate(accum);
+  }
+}
+
 void LogWrapper::do_add_score_and_derivatives(ScoreAccumulator sa) const {
   // override RestraintSet implementation
   Restraint::do_add_score_and_derivatives(sa);
 }
 
+void LogWrapper::do_add_score_and_derivatives_moved(
+                ScoreAccumulator sa, const ParticleIndexes &moved_pis) const {
+  // override RestraintSet implementation
+  Restraint::do_add_score_and_derivatives_moved(sa, moved_pis);
+}
+
 void LogWrapper::show_it(std::ostream &out) const {
   IMP_CHECK_OBJECT(this);
   for (RestraintConstIterator it = restraints_begin(); it != restraints_end();
diff --git a/modules/isd/test/test_log_wrapper.py b/modules/isd/test/test_log_wrapper.py
new file mode 100644
index 0000000000..59ab027449
--- /dev/null
+++ b/modules/isd/test/test_log_wrapper.py
@@ -0,0 +1,88 @@
+from __future__ import print_function
+import IMP
+import IMP.isd
+import IMP.test
+
+
+class LogRestraint(IMP.Restraint):
+    """Restraint that logs how it was called (or skipped)"""
+
+    def __init__(self, m, ps, value):
+        IMP.Restraint.__init__(self, m, 'LogRestraint%1%')
+        self.ps = ps
+        self.value = value
+        self.moved_evaluate = None
+
+    def unprotected_evaluate(self, accum):
+        self.moved_evaluate = False
+        return self.value
+
+    def unprotected_evaluate_moved(self, accum, moved_pis):
+        self.moved_evaluate = True
+        return self.value
+
+    def do_get_inputs(self):
+        return self.ps
+
+
+class Tests(IMP.test.TestCase):
+
+    def test_evaluate_moved(self):
+        """Test scoring with moved particles"""
+        m = IMP.Model()
+        p1 = IMP.Particle(m)
+        p2 = IMP.Particle(m)
+        p3 = IMP.Particle(m)
+        p4 = IMP.Particle(m)
+        r1 = LogRestraint(m, [p1], 100.0)
+        r4 = LogRestraint(m, [p4], 10.0)
+        lw = IMP.isd.LogWrapper([r1, r4], 1.0)
+        def clear_restraints():
+            r1.moved_evaluate = r4.moved_evaluate = None
+        # Plain evaluate should *not* call the evaluate_moved method on r1,r4
+        clear_restraints()
+        self.assertAlmostEqual(lw.evaluate(False), -6.908, delta=1e-3)
+        self.assertFalse(r1.moved_evaluate)
+        self.assertFalse(r4.moved_evaluate)
+
+        # If we move p1, r1 should be evaluate_moved, r4 skipped
+        # (and score should be unchanged, of course)
+        clear_restraints()
+        self.assertAlmostEqual(lw.evaluate_moved(False, [p1]),
+                               -6.908, delta=1e-3)
+        self.assertTrue(r1.moved_evaluate)
+        self.assertIsNone(r4.moved_evaluate)
+
+        # No restraints depend on p2
+        clear_restraints()
+        self.assertAlmostEqual(lw.evaluate_moved(False, [p2]),
+                               -6.908, delta=1e-3)
+        self.assertIsNone(r1.moved_evaluate)
+        self.assertIsNone(r4.moved_evaluate)
+
+        # p4 causes r4 to be updated
+        clear_restraints()
+        self.assertAlmostEqual(lw.evaluate_moved(False, [p4]),
+                               -6.908, delta=1e-3)
+        self.assertIsNone(r1.moved_evaluate)
+        self.assertTrue(r4.moved_evaluate)
+
+        # Moves of multiple particles are not currently handled and will
+        # fall back to plain evaluate
+        clear_restraints()
+        self.assertAlmostEqual(lw.evaluate_moved(False, [p1, p2]),
+                               -6.908, delta=1e-3)
+        self.assertFalse(r1.moved_evaluate)
+        self.assertFalse(r4.moved_evaluate)
+
+        # Moves with derivatives are not currently handled and will
+        # fall back to plain evaluate
+        clear_restraints()
+        self.assertAlmostEqual(lw.evaluate_moved(True, [p1]),
+                               -6.908, delta=1e-3)
+        self.assertFalse(r1.moved_evaluate)
+        self.assertFalse(r4.moved_evaluate)
+
+
+if __name__ == '__main__':
+    IMP.test.main()

From 63583962bb9c5683f3f78b2a33d51bff7630d967 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 17 Aug 2021 09:40:54 -0700
Subject: [PATCH 134/250] Add more docs for LogWrapper

---
 modules/isd/include/LogWrapper.h | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/modules/isd/include/LogWrapper.h b/modules/isd/include/LogWrapper.h
index 7d740b24b4..3e4681b9e1 100644
--- a/modules/isd/include/LogWrapper.h
+++ b/modules/isd/include/LogWrapper.h
@@ -16,6 +16,10 @@
 IMPISD_BEGIN_NAMESPACE
 
 //! Calculate the -Log of a list of restraints.
+/** This is intended to be used with restraints where their score represents
+    the probability (from 0 to 1) of being satisfied.
+    \note Any weights of the wrapped restraints are ignored.
+ */
 class IMPISDEXPORT LogWrapper : public RestraintSet {
   void show_it(std::ostream &out) const;
 

From 1e464ec89596624cbcb730d950a8cf4bd83d4d0e Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 17 Aug 2021 09:44:24 -0700
Subject: [PATCH 135/250] Note that ScoreStates may move additional particles

---
 modules/kernel/include/Restraint.h | 4 +++-
 1 file changed, 3 insertions(+), 1 deletion(-)

diff --git a/modules/kernel/include/Restraint.h b/modules/kernel/include/Restraint.h
index 29dea08f56..821df4bba1 100644
--- a/modules/kernel/include/Restraint.h
+++ b/modules/kernel/include/Restraint.h
@@ -69,7 +69,9 @@ class IMPKERNELEXPORT Restraint : public ModelObject {
 
   //! Score the restraint when some particles have moved.
   /** No particles in the model other those listed should have been
-      changed since the last evaluation. This method should behave
+      changed (e.g. by Monte Carlo movers) since the last evaluation (although
+      ScoreStates may have moved particles not in this list, as a function of
+      particles that *are* in the list). This method should behave
       identically to evaluate() but may be more efficient if it can
       skip terms that involve unchanged particles.
 

From 86a2a0c42ad55c0a59f52c79b3868504aa2adf96 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 17 Aug 2021 16:45:21 -0700
Subject: [PATCH 136/250] Provide particle-moved single-restraint
 implementation

---
 .../include/internal/restraint_evaluation.h   |  6 ++++
 .../include/internal/scoring_functions.h      | 10 +++++++
 .../src/internal/restraint_evaluation.cpp     | 30 +++++++++++++++++++
 3 files changed, 46 insertions(+)

diff --git a/modules/kernel/include/internal/restraint_evaluation.h b/modules/kernel/include/internal/restraint_evaluation.h
index 22ee5a6c10..6e0a6d5480 100644
--- a/modules/kernel/include/internal/restraint_evaluation.h
+++ b/modules/kernel/include/internal/restraint_evaluation.h
@@ -34,6 +34,12 @@ IMPKERNELEXPORT void protected_evaluate_moved(IMP::ScoreAccumulator sa,
                                         const ScoreStatesTemp &states,
                                         Model *m);
 
+IMPKERNELEXPORT void protected_evaluate_moved(IMP::ScoreAccumulator sa,
+                                        Restraint *restraint,
+                                        const ParticleIndexes &moved_pis,
+                                        const ScoreStatesTemp &states,
+                                        Model *m);
+
 IMPKERNEL_END_INTERNAL_NAMESPACE
 
 #endif /* IMPKERNEL_INTERNAL_RESTRAINT_EVALUATION_H */
diff --git a/modules/kernel/include/internal/scoring_functions.h b/modules/kernel/include/internal/scoring_functions.h
index 7780711780..33d001ccf1 100644
--- a/modules/kernel/include/internal/scoring_functions.h
+++ b/modules/kernel/include/internal/scoring_functions.h
@@ -52,6 +52,9 @@ class RestraintScoringFunction : public ScoringFunction {
       : ScoringFunction(IMP::internal::get_model(r), name), r_(r) {}
   void do_add_score_and_derivatives(IMP::ScoreAccumulator sa,
                                     const ScoreStatesTemp &ss) IMP_OVERRIDE;
+  void do_add_score_and_derivatives_moved(IMP::ScoreAccumulator sa,
+                                    const ParticleIndexes &moved_pis,
+                                    const ScoreStatesTemp &ss) IMP_OVERRIDE;
   Restraints create_restraints() const IMP_OVERRIDE;
   virtual ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
   IMP_OBJECT_METHODS(RestraintScoringFunction);
@@ -63,6 +66,13 @@ void RestraintScoringFunction<RestraintType>::do_add_score_and_derivatives(
   internal::protected_evaluate(sa, r_.get(), ss, get_model());
 }
 
+template <class RestraintType> void
+RestraintScoringFunction<RestraintType>::do_add_score_and_derivatives_moved(
+    IMP::ScoreAccumulator sa, const ParticleIndexes &moved_pis,
+    const ScoreStatesTemp &ss) {
+  internal::protected_evaluate_moved(sa, r_.get(), moved_pis, ss, get_model());
+}
+
 template <class RestraintType>
 Restraints RestraintScoringFunction<RestraintType>::create_restraints() const {
   return Restraints(1, r_);
diff --git a/modules/kernel/src/internal/restraint_evaluation.cpp b/modules/kernel/src/internal/restraint_evaluation.cpp
index d103e25c81..b88b850839 100644
--- a/modules/kernel/src/internal/restraint_evaluation.cpp
+++ b/modules/kernel/src/internal/restraint_evaluation.cpp
@@ -161,6 +161,16 @@ void unprotected_evaluate_one(IMP::ScoreAccumulator sa, RS *restraint,
   do_evaluate_one(sa, restraint, m);
 }
 
+template <class RS>
+void unprotected_evaluate_one_moved(IMP::ScoreAccumulator sa, RS *restraint,
+                                    const ParticleIndexes &moved_pis,
+                                    Model *m) {
+  IMP_CHECK_OBJECT(restraint);
+  internal::SFSetIt<IMP::internal::Stage> reset(&m->cur_stage_,
+                                                internal::EVALUATING);
+  do_evaluate_one_moved(sa, restraint, moved_pis, m);
+}
+
 template <class RS>
 void protected_evaluate_one(IMP::ScoreAccumulator sa, RS *restraint,
                             const ScoreStatesTemp &states, Model *m) {
@@ -172,6 +182,20 @@ void protected_evaluate_one(IMP::ScoreAccumulator sa, RS *restraint,
   }
   after_protected_evaluate(m, states, sa.get_derivative_accumulator());
 }
+
+template <class RS>
+void protected_evaluate_one_moved(IMP::ScoreAccumulator sa, RS *restraint,
+                                  const ParticleIndexes &moved_pis,
+                                  const ScoreStatesTemp &states, Model *m) {
+  before_protected_evaluate(m, states, sa.get_derivative_accumulator());
+  {
+    unprotected_evaluate_one_moved(sa, restraint, moved_pis, m);
+    IMP_OMP_PRAGMA(taskwait)
+    IMP_OMP_PRAGMA(flush)
+  }
+  after_protected_evaluate(m, states, sa.get_derivative_accumulator());
+}
+
 }
 
 void protected_evaluate(IMP::ScoreAccumulator sa, Restraint *restraint,
@@ -199,5 +223,11 @@ void protected_evaluate_moved(IMP::ScoreAccumulator sa,
                                                 states, m);
 }
 
+void protected_evaluate_moved(IMP::ScoreAccumulator sa,
+                        Restraint *restraint,
+                        const ParticleIndexes &moved_pis,
+                        const ScoreStatesTemp &states, Model *m) {
+  protected_evaluate_one_moved<Restraint>(sa, restraint, moved_pis, states, m);
+}
 
 IMPKERNEL_END_INTERNAL_NAMESPACE

From 732a4f4b4821878a4ca0144967d3188f0f86be79 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 17 Aug 2021 23:03:27 -0700
Subject: [PATCH 137/250] Cache dependent restraints per particle

It is quite expensive to traverse the model
dependency graph each time to get dependent
restraints for each particle, so cache the
result. This is not yet fully functional as
the cache needs to be cleared whenever the
model dependencies change.
---
 modules/isd/src/LogWrapper.cpp                |  4 +-
 modules/kernel/include/RestraintSet.h         |  2 +
 .../include/internal/MovedParticlesCache.h    | 43 +++++++++++++++++++
 modules/kernel/src/RestraintSet.cpp           | 11 ++---
 4 files changed, 53 insertions(+), 7 deletions(-)
 create mode 100644 modules/kernel/include/internal/MovedParticlesCache.h

diff --git a/modules/isd/src/LogWrapper.cpp b/modules/isd/src/LogWrapper.cpp
index fc64130c86..8c214cb503 100644
--- a/modules/isd/src/LogWrapper.cpp
+++ b/modules/isd/src/LogWrapper.cpp
@@ -50,8 +50,8 @@ double LogWrapper::unprotected_evaluate_moved(
   // evaluate the restraints that depend on that particle, and use the
   // last score for the rest
   if (!accum && moved_pis.size() == 1) {
-    RestraintsTemp rs = get_dependent_restraints(get_model(), moved_pis[0]);
-    std::set<Restraint *> rsset(rs.begin(), rs.end());
+    const std::set<Restraint *> &rsset
+           = moved_particles_cache_.get_dependent_restraints(moved_pis[0]);
 
     double prob = 1;
     double score = 0;
diff --git a/modules/kernel/include/RestraintSet.h b/modules/kernel/include/RestraintSet.h
index 741ae448ee..232d5f4289 100644
--- a/modules/kernel/include/RestraintSet.h
+++ b/modules/kernel/include/RestraintSet.h
@@ -12,6 +12,7 @@
 #include <IMP/kernel_config.h>
 #include "Restraint.h"
 #include "container_macros.h"
+#include <IMP/internal/MovedParticlesCache.h>
 #include <string>
 
 IMPKERNEL_BEGIN_NAMESPACE
@@ -85,6 +86,7 @@ class IMPKERNELEXPORT RestraintSet : public Restraint {
   void do_add_score_and_derivatives(ScoreAccumulator sa) const;
   void do_add_score_and_derivatives_moved(
                   ScoreAccumulator sa, const ParticleIndexes &moved_pis) const;
+  mutable internal::MovedParticlesCache moved_particles_cache_;
 #endif
 };
 
diff --git a/modules/kernel/include/internal/MovedParticlesCache.h b/modules/kernel/include/internal/MovedParticlesCache.h
new file mode 100644
index 0000000000..935569da39
--- /dev/null
+++ b/modules/kernel/include/internal/MovedParticlesCache.h
@@ -0,0 +1,43 @@
+/**
+ *  \file internal/MovedParticlesCache.h
+ *  \brief Various useful utilities
+ *
+ *  Copyright 2007-2021 IMP Inventors. All rights reserved.
+ */
+
+#ifndef IMPKERNEL_INTERNAL_MOVED_PARTICLES_CACHE_H
+#define IMPKERNEL_INTERNAL_MOVED_PARTICLES_CACHE_H
+
+#include <IMP/kernel_config.h>
+#include <IMP/Model.h>
+#include <IMP/dependency_graph.h>
+
+IMPKERNEL_BEGIN_INTERNAL_NAMESPACE
+
+class MovedParticlesCache {
+  Model *m_;
+  typedef std::map<ParticleIndex, std::set<Restraint *> > CacheMap;
+  CacheMap cache_;
+
+public:
+  MovedParticlesCache(Model *m) : m_(m) {}
+
+  const std::set<Restraint *> &get_dependent_restraints(ParticleIndex pi) {
+    CacheMap::const_iterator it = cache_.find(pi);
+    if (it == cache_.end()) {
+      RestraintsTemp rs = IMP::get_dependent_restraints(m_, pi);
+      std::set<Restraint *> rsset(rs.begin(), rs.end());
+      cache_[pi] = rsset;
+      it = cache_.find(pi);
+    }
+    return it->second;
+  }
+
+  // clear when dependency graph changes, and/or
+  // particles/restraints added/removed
+  void clear() { cache_.clear(); }
+};
+
+IMPKERNEL_END_INTERNAL_NAMESPACE
+
+#endif /* IMPKERNEL_INTERNAL_MOVED_PARTICLES_CACHE_H */
diff --git a/modules/kernel/src/RestraintSet.cpp b/modules/kernel/src/RestraintSet.cpp
index 56baaa6fd8..8954f42e35 100644
--- a/modules/kernel/src/RestraintSet.cpp
+++ b/modules/kernel/src/RestraintSet.cpp
@@ -21,18 +21,19 @@ IMPKERNEL_BEGIN_NAMESPACE
 
 RestraintSet::RestraintSet(Model *m, double weight,
                            const std::string &name)
-    : Restraint(m, name) {
+    : Restraint(m, name), moved_particles_cache_(m) {
   set_weight(weight);
 }
 
 RestraintSet::RestraintSet(Model *m, const std::string &name)
-    : Restraint(m, name) {
+    : Restraint(m, name), moved_particles_cache_(m) {
   set_weight(1.0);
 }
 
 RestraintSet::RestraintSet(const RestraintsTemp &rs, double weight,
                            const std::string &name)
-    : Restraint(internal::get_model(rs), name) {
+    : Restraint(internal::get_model(rs), name),
+      moved_particles_cache_(internal::get_model(rs)) {
   set_weight(weight);
   set_restraints(rs);
 }
@@ -64,8 +65,8 @@ void RestraintSet::do_add_score_and_derivatives_moved(
   // evaluate the restraints that depend on that particle, and use the
   // last score for the rest
   if (!sa.get_derivative_accumulator() && moved_pis.size() == 1) {
-    RestraintsTemp rs = get_dependent_restraints(get_model(), moved_pis[0]);
-    std::set<Restraint *> rsset(rs.begin(), rs.end());
+    const std::set<Restraint *> &rsset
+           = moved_particles_cache_.get_dependent_restraints(moved_pis[0]);
     for (unsigned int i = 0; i < get_number_of_restraints(); ++i) {
       Restraint *r = get_restraint(i);
       if (rsset.find(r) == rsset.end()) {

From ea484afef6c79836a543ea8a624032635b188c40 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 17 Aug 2021 23:19:41 -0700
Subject: [PATCH 138/250] Force full score at start/end of Monte Carlo

We shouldn't try to calculate the score of only
moved particles at the very start of an MC run
because we don't know what particles have moved
since the last evaluation (we can only guarantee
that *during* the MC run). Start with a full score.
Also, if we want to return the best score at the
end, make that a full score too.
---
 modules/core/include/MonteCarlo.h |  7 ++++---
 modules/core/src/MonteCarlo.cpp   | 14 ++++++++------
 2 files changed, 12 insertions(+), 9 deletions(-)

diff --git a/modules/core/include/MonteCarlo.h b/modules/core/include/MonteCarlo.h
index ab0cbf084a..b92bea7f65 100644
--- a/modules/core/include/MonteCarlo.h
+++ b/modules/core/include/MonteCarlo.h
@@ -184,12 +184,13 @@ class IMPCOREEXPORT MonteCarlo : public Optimizer {
 
       The list of moved particles is passed.
    */
-  virtual double do_evaluate(const ParticleIndexes &moved) const {
+  virtual double do_evaluate(const ParticleIndexes &moved,
+                             bool force_full_score) const {
     if (isf_) {
       isf_->set_moved_particles(moved);
     }
     if (get_maximum_difference() < NO_MAX) {
-      if (score_moved_) {
+      if (score_moved_ && !force_full_score) {
         return get_scoring_function()->evaluate_moved_if_below(
             false, moved, last_energy_ + max_difference_);
       } else {
@@ -197,7 +198,7 @@ class IMPCOREEXPORT MonteCarlo : public Optimizer {
             false, last_energy_ + max_difference_);
       }
     } else {
-      if (score_moved_) {
+      if (score_moved_ && !force_full_score) {
         return get_scoring_function()->evaluate_moved(false, moved);
       } else {
         return get_scoring_function()->evaluate(false);
diff --git a/modules/core/src/MonteCarlo.cpp b/modules/core/src/MonteCarlo.cpp
index 72f72311b9..681064153e 100644
--- a/modules/core/src/MonteCarlo.cpp
+++ b/modules/core/src/MonteCarlo.cpp
@@ -117,7 +117,7 @@ struct MoverCleanup {
 void MonteCarlo::do_step() {
   MonteCarloMoverResult moved = do_move();
   MoverCleanup cleanup(this);
-  double energy = do_evaluate(moved.get_moved_particles());
+  double energy = do_evaluate(moved.get_moved_particles(), false);
   do_accept_or_reject_move(energy, moved.get_proposal_ratio());
   cleanup.reset();
 }
@@ -148,7 +148,7 @@ double MonteCarlo::do_optimize(unsigned int max_steps) {
   ParticleIndexes movable = get_movable_particles();
 
   // provide a way of feeding in this value
-  last_energy_ = do_evaluate(movable);
+  last_energy_ = do_evaluate(movable, true);
   if (return_best_) {
     best_ = new Configuration(get_model());
     best_energy_ = last_energy_;
@@ -174,7 +174,7 @@ double MonteCarlo::do_optimize(unsigned int max_steps) {
     best_->swap_configuration();
     IMP_LOG_TERSE("MC Returning energy " << best_energy_ << std::endl);
     IMP_IF_CHECK(USAGE) {
-      IMP_LOG_TERSE("MC Got " << do_evaluate(get_movable_particles())
+      IMP_LOG_TERSE("MC Got " << do_evaluate(get_movable_particles(), true)
                               << std::endl);
       /*IMP_INTERNAL_CHECK((e >= std::numeric_limits<double>::max()
                           && best_energy_ >= std::numeric_limits<double>::max())
@@ -184,7 +184,7 @@ double MonteCarlo::do_optimize(unsigned int max_steps) {
                          << best_energy_ << " vs " << e << std::endl);*/
     }
 
-    return do_evaluate(movable);
+    return do_evaluate(movable, true);
   } else {
     return last_energy_;
   }
@@ -203,7 +203,8 @@ void MonteCarloWithLocalOptimization::do_step() {
   MonteCarloMoverResult moved = do_move();
   MoverCleanup cleanup(this);
   IMP_LOG_TERSE("MC Performing local optimization from "
-                << do_evaluate(moved.get_moved_particles()) << std::endl);
+                << do_evaluate(moved.get_moved_particles(), false)
+                << std::endl);
   // non-Mover parts of the model can be moved by the local optimizer
   // make sure they are cleaned up
   PointerMember<Configuration> cs = new Configuration(get_model());
@@ -222,7 +223,8 @@ void MonteCarloWithBasinHopping::do_step() {
   MonteCarloMoverResult moved = do_move();
   MoverCleanup cleanup(this);
   IMP_LOG_TERSE("MC Performing local optimization from "
-                << do_evaluate(moved.get_moved_particles()) << std::endl);
+                << do_evaluate(moved.get_moved_particles(), false)
+                << std::endl);
   Pointer<Configuration> cs = new Configuration(get_model());
   double ne = get_local_optimizer()->optimize(get_number_of_steps());
   cs->swap_configuration();

From 0877efac6c6fb0dd16b730aa37e46e1cb8485aa3 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 18 Aug 2021 00:18:19 -0700
Subject: [PATCH 139/250] Add counter to track dependencies age

Keep track of the model age when Particles,
Restraints, or ScoreStates were last added or
removed. This can be used to clear caches which
depend on the model's dependency graph.
---
 modules/kernel/include/Model.h               |  8 +++++
 modules/kernel/src/Model.cpp                 |  1 +
 modules/kernel/src/Model_dependencies.cpp    |  4 +++
 modules/kernel/test/test_dependency_graph.py | 32 ++++++++++++++++++++
 4 files changed, 45 insertions(+)

diff --git a/modules/kernel/include/Model.h b/modules/kernel/include/Model.h
index 1f7a4be232..313a94e395 100644
--- a/modules/kernel/include/Model.h
+++ b/modules/kernel/include/Model.h
@@ -125,6 +125,8 @@ class IMPKERNELEXPORT Model : public Object
   unsigned age_counter_;
   // all triggers
   Vector<unsigned> trigger_age_;
+  // time when dependencies were last changed
+  unsigned dependencies_age_;
   // the stage of evaluation
   internal::Stage cur_stage_;
 
@@ -394,6 +396,12 @@ class IMPKERNELEXPORT Model : public Object
   }
   /** @} */
 
+  //! Get the model age when ModelObject dependencies were last changed, or 0.
+  /** This gives the Model age (see get_age()) when Particles, Restraints,
+      or ScoreStates were last added or removed. It is typically used to
+      help maintain caches that depend on the model's dependency graph. */
+  unsigned get_dependencies_updated() { return dependencies_age_; }
+
   IMP_OBJECT_METHODS(Model);
 
  public:
diff --git a/modules/kernel/src/Model.cpp b/modules/kernel/src/Model.cpp
index 436e55bd71..f5b5ad0d09 100644
--- a/modules/kernel/src/Model.cpp
+++ b/modules/kernel/src/Model.cpp
@@ -18,6 +18,7 @@ Model::Model(std::string name) : Object(name) {
   set_was_used(true);
   first_call_ = true;
   age_counter_ = 1;
+  dependencies_age_ = 0;
 #if IMP_HAS_CHECKS >= IMP_INTERNAL
   internal::FloatAttributeTable::set_masks(
       &this->Masks::read_mask_, &this->Masks::write_mask_,
diff --git a/modules/kernel/src/Model_dependencies.cpp b/modules/kernel/src/Model_dependencies.cpp
index b049140f8c..f27eae9cab 100644
--- a/modules/kernel/src/Model_dependencies.cpp
+++ b/modules/kernel/src/Model_dependencies.cpp
@@ -317,6 +317,7 @@ void Model::do_add_dependencies(const ModelObject *cmo) {
   }
   // needs to be at end to not trigger input/output validation
   no_dependencies_.erase(cmo);
+  dependencies_age_ = age_counter_;
   computed.erase(cmo);
 }
 
@@ -372,6 +373,7 @@ void Model::do_clear_dependencies(const ModelObject *cmo) {
   ni.set_outputs(Edges());
   ni.set_input_outputs(Edges());
   no_dependencies_.insert(mo);
+  dependencies_age_ = age_counter_;
   {  // down stream might be affected (eg SetContainers)
     Edges readers = ni.get_readers();
     IMP_FOREACH(ModelObject * reader, readers) {
@@ -451,6 +453,7 @@ void Model::do_add_model_object(ModelObject *mo) {
     dependency_graph_[mo] = NodeInfo();
   }
   no_dependencies_.insert(mo);
+  dependencies_age_ = age_counter_;
 }
 
 void Model::do_remove_model_object(ModelObject *mo) {
@@ -478,6 +481,7 @@ void Model::do_remove_model_object(ModelObject *mo) {
     }
   }
   no_dependencies_.erase(mo);
+  dependencies_age_ = age_counter_;
   dependency_graph_.erase(mo);
 }
 
diff --git a/modules/kernel/test/test_dependency_graph.py b/modules/kernel/test/test_dependency_graph.py
index bd8c1b38ca..51fe8b1d3a 100644
--- a/modules/kernel/test/test_dependency_graph.py
+++ b/modules/kernel/test/test_dependency_graph.py
@@ -41,5 +41,37 @@ def test_loop_detection(self):
         s1 = NullConstraint(m, inputs=[p1], outputs=[p0])
         self.assertRaises(IMP.ModelException, m.update)
 
+    def test_dependency_age(self):
+        """Test dependency age counter"""
+        m = IMP.Model()
+        # No dependencies yet, so age==0
+        self.assertEqual(m.get_age(), 1)
+        self.assertEqual(m.get_dependencies_updated(), 0)
+        # Increasing model age should not affect dependency age
+        m.update()
+        self.assertEqual(m.get_age(), 2)
+        self.assertEqual(m.get_dependencies_updated(), 0)
+        # Adding particles should update dep age
+        p1 = IMP.Particle(m)
+        p2 = IMP.Particle(m)
+        m.update()
+        self.assertEqual(m.get_age(), 3)
+        self.assertEqual(m.get_dependencies_updated(), 2)
+        # Adding ScoreStates should update dep age
+        s0 = NullConstraint(m, inputs=[p1], outputs=[p2])
+        m.update()
+        self.assertEqual(m.get_age(), 4)
+        self.assertEqual(m.get_dependencies_updated(), 3)
+        # Adding Restraints should update dep age
+        r = IMP._ConstRestraint(m, [p2], 1)
+        m.update()
+        self.assertEqual(m.get_age(), 5)
+        self.assertEqual(m.get_dependencies_updated(), 4)
+        # Increasing model age should not affect dependency age
+        m.update()
+        self.assertEqual(m.get_age(), 6)
+        self.assertEqual(m.get_dependencies_updated(), 4)
+
+
 if __name__ == '__main__':
     IMP.test.main()

From 61dec80b27fc09ee91d4d2a728dcf7b3c9ad42e0 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 18 Aug 2021 00:24:48 -0700
Subject: [PATCH 140/250] Hide model age variables

Make internal data private; evaluate template
functions don't need to see these variables.
---
 modules/kernel/include/Model.h | 18 ++++++++++--------
 1 file changed, 10 insertions(+), 8 deletions(-)

diff --git a/modules/kernel/include/Model.h b/modules/kernel/include/Model.h
index 313a94e395..e02d899122 100644
--- a/modules/kernel/include/Model.h
+++ b/modules/kernel/include/Model.h
@@ -115,20 +115,13 @@ class IMPKERNELEXPORT Model : public Object
   void do_check_readers_and_writers(const ModelObject *mo) const;
   void do_check_not_in_readers_and_writers(const ModelObject *mo) const;
   void do_clear_dependencies(const ModelObject *mo);
-#if !defined(IMP_DOXYGEN) && !defined(SWIG)
-  // things the evaluate template functions need, can't be bothered with friends
- public:
-#endif
-  // check more things on the first call
-  bool first_call_;
+
   // used to track time when triggers are activated
   unsigned age_counter_;
   // all triggers
   Vector<unsigned> trigger_age_;
   // time when dependencies were last changed
   unsigned dependencies_age_;
-  // the stage of evaluation
-  internal::Stage cur_stage_;
 
   // update model age (can never be zero, even if it wraps)
   void increase_age() {
@@ -138,6 +131,15 @@ class IMPKERNELEXPORT Model : public Object
     }
   }
 
+#if !defined(IMP_DOXYGEN) && !defined(SWIG)
+  // things the evaluate template functions need, can't be bothered with friends
+ public:
+#endif
+  // check more things on the first call
+  bool first_call_;
+  // the stage of evaluation
+  internal::Stage cur_stage_;
+
   ModelObjectsTemp get_dependency_graph_inputs(const ModelObject *mo) const;
   ModelObjectsTemp get_dependency_graph_outputs(const ModelObject *mo) const;
   bool do_get_has_dependencies(const ModelObject *mo) const {

From d53417f7697f3d3ce5dd1c58d4b87edc0084ab95 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 18 Aug 2021 11:19:50 -0700
Subject: [PATCH 141/250] Clear dependent-restraint cache when needed

Move the cache maintained by RestraintSet of
which Restraints should be reevaluated when
each Particle moves into the Model. This removes
potential duplication and allows the Model to
clear the cache at the start of evaluation if
dependencies have changed.
---
 modules/isd/src/LogWrapper.cpp             |  2 +-
 modules/kernel/include/Model.h             | 12 +++++++++++-
 modules/kernel/include/RestraintSet.h      |  2 --
 modules/kernel/src/Model.cpp               |  4 +++-
 modules/kernel/src/Model_evaluate.cpp      |  5 +++++
 modules/kernel/src/RestraintSet.cpp        |  9 ++++-----
 modules/kernel/test/test_restraint_sets.py | 10 ++++++++++
 7 files changed, 34 insertions(+), 10 deletions(-)

diff --git a/modules/isd/src/LogWrapper.cpp b/modules/isd/src/LogWrapper.cpp
index 8c214cb503..f05898473a 100644
--- a/modules/isd/src/LogWrapper.cpp
+++ b/modules/isd/src/LogWrapper.cpp
@@ -51,7 +51,7 @@ double LogWrapper::unprotected_evaluate_moved(
   // last score for the rest
   if (!accum && moved_pis.size() == 1) {
     const std::set<Restraint *> &rsset
-           = moved_particles_cache_.get_dependent_restraints(moved_pis[0]);
+           = get_model()->get_dependent_restraints(moved_pis[0]);
 
     double prob = 1;
     double score = 0;
diff --git a/modules/kernel/include/Model.h b/modules/kernel/include/Model.h
index e02d899122..c1e29eefa9 100644
--- a/modules/kernel/include/Model.h
+++ b/modules/kernel/include/Model.h
@@ -21,6 +21,7 @@
 #include "Undecorator.h"
 #include "internal/AttributeTable.h"
 #include "internal/attribute_tables.h"
+#include "internal/MovedParticlesCache.h"
 #include <IMP/Object.h>
 #include <IMP/Pointer.h>
 #include <boost/unordered_map.hpp>
@@ -120,8 +121,13 @@ class IMPKERNELEXPORT Model : public Object
   unsigned age_counter_;
   // all triggers
   Vector<unsigned> trigger_age_;
-  // time when dependencies were last changed
+  // time when dependencies were last changed, or 0
   unsigned dependencies_age_;
+  // cache of restraints that are affected by each moved particle,
+  // used for evaluate_moved() and related functions
+  internal::MovedParticlesCache moved_particles_cache_;
+  // time when moved_particles_cache_ was last updated, or 0
+  unsigned moved_particles_cache_age_;
 
   // update model age (can never be zero, even if it wraps)
   void increase_age() {
@@ -140,6 +146,10 @@ class IMPKERNELEXPORT Model : public Object
   // the stage of evaluation
   internal::Stage cur_stage_;
 
+  const std::set<Restraint *> &get_dependent_restraints(ParticleIndex pi) {
+    return moved_particles_cache_.get_dependent_restraints(pi);
+  }
+
   ModelObjectsTemp get_dependency_graph_inputs(const ModelObject *mo) const;
   ModelObjectsTemp get_dependency_graph_outputs(const ModelObject *mo) const;
   bool do_get_has_dependencies(const ModelObject *mo) const {
diff --git a/modules/kernel/include/RestraintSet.h b/modules/kernel/include/RestraintSet.h
index 232d5f4289..741ae448ee 100644
--- a/modules/kernel/include/RestraintSet.h
+++ b/modules/kernel/include/RestraintSet.h
@@ -12,7 +12,6 @@
 #include <IMP/kernel_config.h>
 #include "Restraint.h"
 #include "container_macros.h"
-#include <IMP/internal/MovedParticlesCache.h>
 #include <string>
 
 IMPKERNEL_BEGIN_NAMESPACE
@@ -86,7 +85,6 @@ class IMPKERNELEXPORT RestraintSet : public Restraint {
   void do_add_score_and_derivatives(ScoreAccumulator sa) const;
   void do_add_score_and_derivatives_moved(
                   ScoreAccumulator sa, const ParticleIndexes &moved_pis) const;
-  mutable internal::MovedParticlesCache moved_particles_cache_;
 #endif
 };
 
diff --git a/modules/kernel/src/Model.cpp b/modules/kernel/src/Model.cpp
index f5b5ad0d09..d0a29dc53f 100644
--- a/modules/kernel/src/Model.cpp
+++ b/modules/kernel/src/Model.cpp
@@ -13,12 +13,14 @@
 IMPKERNEL_BEGIN_NAMESPACE
 
 //! Constructor
-Model::Model(std::string name) : Object(name) {
+Model::Model(std::string name)
+          : Object(name), moved_particles_cache_(this) {
   cur_stage_ = internal::NOT_EVALUATING;
   set_was_used(true);
   first_call_ = true;
   age_counter_ = 1;
   dependencies_age_ = 0;
+  moved_particles_cache_age_ = 0;
 #if IMP_HAS_CHECKS >= IMP_INTERNAL
   internal::FloatAttributeTable::set_masks(
       &this->Masks::read_mask_, &this->Masks::write_mask_,
diff --git a/modules/kernel/src/Model_evaluate.cpp b/modules/kernel/src/Model_evaluate.cpp
index 6ef3da598f..13b05d78d3 100644
--- a/modules/kernel/src/Model_evaluate.cpp
+++ b/modules/kernel/src/Model_evaluate.cpp
@@ -56,6 +56,11 @@ void Model::before_evaluate(const ScoreStatesTemp &states) {
                   "Can only call Model::before_evaluate() when not evaluating");
   CreateLogContext clc("update_score_states");
   increase_age();
+  // Clear cache if dependencies changed
+  if (moved_particles_cache_age_ != dependencies_age_) {
+    moved_particles_cache_age_ = dependencies_age_;
+    moved_particles_cache_.clear();
+  }
   internal::SFSetIt<IMP::internal::Stage> reset(
       &cur_stage_, internal::BEFORE_EVALUATING);
   unsigned int cur_begin = 0;
diff --git a/modules/kernel/src/RestraintSet.cpp b/modules/kernel/src/RestraintSet.cpp
index 8954f42e35..f6da3f368e 100644
--- a/modules/kernel/src/RestraintSet.cpp
+++ b/modules/kernel/src/RestraintSet.cpp
@@ -21,19 +21,18 @@ IMPKERNEL_BEGIN_NAMESPACE
 
 RestraintSet::RestraintSet(Model *m, double weight,
                            const std::string &name)
-    : Restraint(m, name), moved_particles_cache_(m) {
+    : Restraint(m, name) {
   set_weight(weight);
 }
 
 RestraintSet::RestraintSet(Model *m, const std::string &name)
-    : Restraint(m, name), moved_particles_cache_(m) {
+    : Restraint(m, name) {
   set_weight(1.0);
 }
 
 RestraintSet::RestraintSet(const RestraintsTemp &rs, double weight,
                            const std::string &name)
-    : Restraint(internal::get_model(rs), name),
-      moved_particles_cache_(internal::get_model(rs)) {
+    : Restraint(internal::get_model(rs), name) {
   set_weight(weight);
   set_restraints(rs);
 }
@@ -66,7 +65,7 @@ void RestraintSet::do_add_score_and_derivatives_moved(
   // last score for the rest
   if (!sa.get_derivative_accumulator() && moved_pis.size() == 1) {
     const std::set<Restraint *> &rsset
-           = moved_particles_cache_.get_dependent_restraints(moved_pis[0]);
+           = get_model()->get_dependent_restraints(moved_pis[0]);
     for (unsigned int i = 0; i < get_number_of_restraints(); ++i) {
       Restraint *r = get_restraint(i);
       if (rsset.find(r) == rsset.end()) {
diff --git a/modules/kernel/test/test_restraint_sets.py b/modules/kernel/test/test_restraint_sets.py
index 9e96629be8..aa252f2cf1 100644
--- a/modules/kernel/test/test_restraint_sets.py
+++ b/modules/kernel/test/test_restraint_sets.py
@@ -191,6 +191,16 @@ def clear_restraints():
         self.assertIsNone(r1.moved_evaluate)
         self.assertTrue(r4.moved_evaluate)
 
+        # Cache should be cleared since we changed the dependency graph here;
+        # now moving p1 should force recalc of r1 *and* r4
+        clear_restraints()
+        ss2 = LinkScoreState(m, p1, p4)
+        m.add_score_state(ss2)
+        self.assertAlmostEqual(rs.evaluate_moved(False, [p1]),
+                               210.0, delta=1e-6)
+        self.assertTrue(r1.moved_evaluate)
+        self.assertTrue(r4.moved_evaluate)
+
 
 if __name__ == '__main__':
     IMP.test.main()

From b023c663543ba51242f6dbc39becc52eece03616 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 18 Aug 2021 11:46:10 -0700
Subject: [PATCH 142/250] Handle new restraints in evaluate_moved

If a restraint was added since the last
scoring function evaluation, we can't skip
its score, even if it acts purely on particles
that haven't moved, since it doesn't have a score
yet. Do a full score evaluation in this case.
---
 modules/isd/src/LogWrapper.cpp             | 10 +++++++++-
 modules/isd/test/test_log_wrapper.py       | 11 +++++++++++
 modules/kernel/src/RestraintSet.cpp        |  8 +++++++-
 modules/kernel/test/test_restraint_sets.py | 11 +++++++++++
 4 files changed, 38 insertions(+), 2 deletions(-)

diff --git a/modules/isd/src/LogWrapper.cpp b/modules/isd/src/LogWrapper.cpp
index f05898473a..9806b55d9c 100644
--- a/modules/isd/src/LogWrapper.cpp
+++ b/modules/isd/src/LogWrapper.cpp
@@ -59,7 +59,15 @@ double LogWrapper::unprotected_evaluate_moved(
     for (unsigned int i = 0; i <get_number_of_restraints(); ++i) {
       Restraint *r = get_restraint(i);
       if (rsset.find(r) == rsset.end()) {
-        prob *= r->get_last_score();
+        double last_score = r->get_last_score();
+        // If the restraint is new, get the full score
+        if (last_score == NO_MAX) {
+          double rsrval = r->unprotected_evaluate(accum);
+          r->set_last_score(rsrval);
+          prob *= rsrval;
+        } else {
+          prob *= last_score;
+        }
       } else {
         double rsrval = r->unprotected_evaluate_moved(accum, moved_pis);
         r->set_last_score(rsrval);
diff --git a/modules/isd/test/test_log_wrapper.py b/modules/isd/test/test_log_wrapper.py
index 59ab027449..6821a1a300 100644
--- a/modules/isd/test/test_log_wrapper.py
+++ b/modules/isd/test/test_log_wrapper.py
@@ -83,6 +83,17 @@ def clear_restraints():
         self.assertFalse(r1.moved_evaluate)
         self.assertFalse(r4.moved_evaluate)
 
+        # Newly-added restraints should use regular evaluate to get first score
+        clear_restraints()
+        r3 = LogRestraint(m, [p3], 30.0)
+        r3.moved_evaluate = None
+        lw.add_restraint(r3)
+        self.assertAlmostEqual(lw.evaluate_moved(False, [p4]),
+                               -10.308, delta=1e-3)
+        self.assertIsNone(r1.moved_evaluate)
+        self.assertFalse(r3.moved_evaluate)
+        self.assertTrue(r4.moved_evaluate)
+
 
 if __name__ == '__main__':
     IMP.test.main()
diff --git a/modules/kernel/src/RestraintSet.cpp b/modules/kernel/src/RestraintSet.cpp
index f6da3f368e..4260d2e116 100644
--- a/modules/kernel/src/RestraintSet.cpp
+++ b/modules/kernel/src/RestraintSet.cpp
@@ -69,7 +69,13 @@ void RestraintSet::do_add_score_and_derivatives_moved(
     for (unsigned int i = 0; i < get_number_of_restraints(); ++i) {
       Restraint *r = get_restraint(i);
       if (rsset.find(r) == rsset.end()) {
-        sa.add_score(r->get_last_score() * r->get_weight());
+        double last_score = r->get_last_score();
+        // If the restraint is new, get the full score
+        if (last_score == NO_MAX) {
+          r->add_score_and_derivatives(sa);
+        } else {
+          sa.add_score(last_score * r->get_weight());
+        }
       } else {
         r->add_score_and_derivatives_moved(sa, moved_pis);
       }
diff --git a/modules/kernel/test/test_restraint_sets.py b/modules/kernel/test/test_restraint_sets.py
index aa252f2cf1..27edb33cd7 100644
--- a/modules/kernel/test/test_restraint_sets.py
+++ b/modules/kernel/test/test_restraint_sets.py
@@ -201,6 +201,17 @@ def clear_restraints():
         self.assertTrue(r1.moved_evaluate)
         self.assertTrue(r4.moved_evaluate)
 
+        # Newly-added restraints should use regular evaluate to get first score
+        clear_restraints()
+        r3 = LogRestraint(m, [p3], 30.0)
+        r3.moved_evaluate = None
+        innerrs.add_restraint(r3)
+        self.assertAlmostEqual(rs.evaluate_moved(False, [p4]),
+                               240.0, delta=1e-6)
+        self.assertIsNone(r1.moved_evaluate)
+        self.assertFalse(r3.moved_evaluate)
+        self.assertTrue(r4.moved_evaluate)
+
 
 if __name__ == '__main__':
     IMP.test.main()

From 2362d42e329925ea4acfcdc9dc22e13249dfe1d4 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 18 Aug 2021 12:06:40 -0700
Subject: [PATCH 143/250] Match new MonteCarlo::do_evaluate() signature

do_evaluate() now takes a new bool force_full_score
argument, so we need to modify subclasses to
correctly override (not overload!) the method.
---
 modules/isd/include/HybridMonteCarlo.h  | 2 +-
 modules/isd/src/HybridMonteCarlo.cpp    | 7 ++++---
 modules/spb/include/MonteCarloWithWte.h | 3 ++-
 modules/spb/src/MonteCarloWithWte.cpp   | 5 ++++-
 4 files changed, 11 insertions(+), 6 deletions(-)

diff --git a/modules/isd/include/HybridMonteCarlo.h b/modules/isd/include/HybridMonteCarlo.h
index cf2bb8e049..4b771f7e82 100644
--- a/modules/isd/include/HybridMonteCarlo.h
+++ b/modules/isd/include/HybridMonteCarlo.h
@@ -49,7 +49,7 @@ class IMPISDEXPORT HybridMonteCarlo : public core::MonteCarlo {
   MolecularDynamics *get_md() const;
 
   // evaluate should return the total energy
-  double do_evaluate(const ParticleIndexes &) const;
+  double do_evaluate(const ParticleIndexes &, bool) const IMP_OVERRIDE;
 
   virtual void do_step();
   IMP_OBJECT_METHODS(HybridMonteCarlo);
diff --git a/modules/isd/src/HybridMonteCarlo.cpp b/modules/isd/src/HybridMonteCarlo.cpp
index 9f85ae93db..53b5048af5 100644
--- a/modules/isd/src/HybridMonteCarlo.cpp
+++ b/modules/isd/src/HybridMonteCarlo.cpp
@@ -25,7 +25,8 @@ HybridMonteCarlo::HybridMonteCarlo(Model *m, Float kT, unsigned steps,
   persistence_counter_ = 0;
 }
 
-double HybridMonteCarlo::do_evaluate(const ParticleIndexes &) const {
+double HybridMonteCarlo::do_evaluate(const ParticleIndexes &, bool) const {
+  // we don't use evaluate_moved() so don't use either input argument
   if (get_use_incremental_scoring_function())
     IMP_THROW("Incremental scoring not supported", ModelException);
   double ekin = md_->get_kinetic_energy();
@@ -50,10 +51,10 @@ void HybridMonteCarlo::do_step() {
     md_->assign_velocities(get_kt() / kB);
   }
   ParticleIndexes unused;
-  double last = do_evaluate(unused);
+  double last = do_evaluate(unused, true);
   core::MonteCarloMoverResult moved = do_move();
 
-  double energy = do_evaluate(unused);
+  double energy = do_evaluate(unused, true);
   bool accepted =
       do_accept_or_reject_move(energy, last, moved.get_proposal_ratio());
   while ((!accepted) && (persistence_counter_ < persistence_ - 1)) {
diff --git a/modules/spb/include/MonteCarloWithWte.h b/modules/spb/include/MonteCarloWithWte.h
index 36980102f2..8275043312 100644
--- a/modules/spb/include/MonteCarloWithWte.h
+++ b/modules/spb/include/MonteCarloWithWte.h
@@ -33,7 +33,8 @@ class IMPSPBEXPORT MonteCarloWithWte : public core::MonteCarlo {
                      double w0);
 
   void update_bias(double score);
-  virtual double do_evaluate(const ParticleIndexes &moved) const IMP_OVERRIDE;
+  virtual double do_evaluate(
+                  const ParticleIndexes &moved, bool) const IMP_OVERRIDE;
   double get_spline(double score) const;
 
  public:
diff --git a/modules/spb/src/MonteCarloWithWte.cpp b/modules/spb/src/MonteCarloWithWte.cpp
index 6a19386bfe..9efab45dcc 100644
--- a/modules/spb/src/MonteCarloWithWte.cpp
+++ b/modules/spb/src/MonteCarloWithWte.cpp
@@ -108,7 +108,10 @@ void MonteCarloWithWte::do_step() {
   if (do_accept) update_bias(energy);
 }
 
-double MonteCarloWithWte::do_evaluate(const ParticleIndexes &moved) const {
+double MonteCarloWithWte::do_evaluate(const ParticleIndexes &, bool) const {
+  // we don't use evaluate_moved() so don't use either input argument
+  if (get_use_incremental_scoring_function())
+    IMP_THROW("Incremental scoring not supported", ModelException);
   double totenergy = get_scoring_function()->evaluate(false);
   double energy = totenergy;
   if (full_ == false) {

From 1ad835486ec19f41184f0ee51e0ad079341c5949 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 18 Aug 2021 12:10:37 -0700
Subject: [PATCH 144/250] Discourage use with local-optimization MC subclasses

---
 modules/core/include/MonteCarlo.h | 8 +++++++-
 1 file changed, 7 insertions(+), 1 deletion(-)

diff --git a/modules/core/include/MonteCarlo.h b/modules/core/include/MonteCarlo.h
index b92bea7f65..1ea0ce5ee4 100644
--- a/modules/core/include/MonteCarlo.h
+++ b/modules/core/include/MonteCarlo.h
@@ -61,7 +61,13 @@ class IMPCOREEXPORT MonteCarlo : public Optimizer {
       calculated. If it is guaranteed that only Movers and ScoreStates
       move the system, then the score can potentially be calculated
       more quickly by caching the scores on parts of the system that
-      don't move. This is still experimental. */
+      don't move. This is still experimental.
+
+      \note Some MonteCarlo subclasses do local optimization after each
+            move, which can move more particles than the Movers touched.
+            In this case the guarantee does not hold and this optimization
+            should probably not be used.
+   */
   void set_score_moved(bool mv) { score_moved_ = mv; }
 
   /** \name kT

From d981cd00f7e872db731da8b745d3fe35e87247d1 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 18 Aug 2021 13:02:47 -0700
Subject: [PATCH 145/250] Check moved-particle scores in debug mode

In debug mode, rather than skipping restraints
on particles that haven't moved, evaluate them
as per usual and check the scores against the
previous values to make sure they didn't change.
---
 modules/isd/src/LogWrapper.cpp             |  7 +++
 modules/isd/test/test_log_wrapper.py       | 41 ++++++++++------
 modules/kernel/src/RestraintSet.cpp        |  8 +++
 modules/kernel/test/test_restraint_sets.py | 57 +++++++++++++---------
 4 files changed, 75 insertions(+), 38 deletions(-)

diff --git a/modules/isd/src/LogWrapper.cpp b/modules/isd/src/LogWrapper.cpp
index 9806b55d9c..2aa730bef6 100644
--- a/modules/isd/src/LogWrapper.cpp
+++ b/modules/isd/src/LogWrapper.cpp
@@ -66,6 +66,13 @@ double LogWrapper::unprotected_evaluate_moved(
           r->set_last_score(rsrval);
           prob *= rsrval;
         } else {
+#if IMP_HAS_CHECKS >= IMP_INTERNAL
+          double rsrval = r->unprotected_evaluate_moved(accum, moved_pis);
+          IMP_INTERNAL_CHECK_FLOAT_EQUAL(
+                 rsrval, last_score,
+                 "Restraint " << *r
+                 << " changed score even though particles didn't move");
+#endif
           prob *= last_score;
         }
       } else {
diff --git a/modules/isd/test/test_log_wrapper.py b/modules/isd/test/test_log_wrapper.py
index 6821a1a300..7c310ebd00 100644
--- a/modules/isd/test/test_log_wrapper.py
+++ b/modules/isd/test/test_log_wrapper.py
@@ -29,6 +29,17 @@ class Tests(IMP.test.TestCase):
 
     def test_evaluate_moved(self):
         """Test scoring with moved particles"""
+        def assert_restraint_skipped(r):
+            # In debug mode restraints aren't actually skipped; they
+            # evaluated and the score is checked against the 'skipped' score
+            if IMP.get_check_level() >= IMP.USAGE_AND_INTERNAL:
+                assert_restraint_evaluate_moved(r)
+            else:
+                self.assertIsNone(r.moved_evaluate)
+        def assert_restraint_evaluate(r):
+            self.assertFalse(r.moved_evaluate)
+        def assert_restraint_evaluate_moved(r):
+            self.assertTrue(r.moved_evaluate)
         m = IMP.Model()
         p1 = IMP.Particle(m)
         p2 = IMP.Particle(m)
@@ -42,46 +53,46 @@ def clear_restraints():
         # Plain evaluate should *not* call the evaluate_moved method on r1,r4
         clear_restraints()
         self.assertAlmostEqual(lw.evaluate(False), -6.908, delta=1e-3)
-        self.assertFalse(r1.moved_evaluate)
-        self.assertFalse(r4.moved_evaluate)
+        assert_restraint_evaluate(r1)
+        assert_restraint_evaluate(r4)
 
         # If we move p1, r1 should be evaluate_moved, r4 skipped
         # (and score should be unchanged, of course)
         clear_restraints()
         self.assertAlmostEqual(lw.evaluate_moved(False, [p1]),
                                -6.908, delta=1e-3)
-        self.assertTrue(r1.moved_evaluate)
-        self.assertIsNone(r4.moved_evaluate)
+        assert_restraint_evaluate_moved(r1)
+        assert_restraint_skipped(r4)
 
         # No restraints depend on p2
         clear_restraints()
         self.assertAlmostEqual(lw.evaluate_moved(False, [p2]),
                                -6.908, delta=1e-3)
-        self.assertIsNone(r1.moved_evaluate)
-        self.assertIsNone(r4.moved_evaluate)
+        assert_restraint_skipped(r1)
+        assert_restraint_skipped(r4)
 
         # p4 causes r4 to be updated
         clear_restraints()
         self.assertAlmostEqual(lw.evaluate_moved(False, [p4]),
                                -6.908, delta=1e-3)
-        self.assertIsNone(r1.moved_evaluate)
-        self.assertTrue(r4.moved_evaluate)
+        assert_restraint_skipped(r1)
+        assert_restraint_evaluate_moved(r4)
 
         # Moves of multiple particles are not currently handled and will
         # fall back to plain evaluate
         clear_restraints()
         self.assertAlmostEqual(lw.evaluate_moved(False, [p1, p2]),
                                -6.908, delta=1e-3)
-        self.assertFalse(r1.moved_evaluate)
-        self.assertFalse(r4.moved_evaluate)
+        assert_restraint_evaluate(r1)
+        assert_restraint_evaluate(r4)
 
         # Moves with derivatives are not currently handled and will
         # fall back to plain evaluate
         clear_restraints()
         self.assertAlmostEqual(lw.evaluate_moved(True, [p1]),
                                -6.908, delta=1e-3)
-        self.assertFalse(r1.moved_evaluate)
-        self.assertFalse(r4.moved_evaluate)
+        assert_restraint_evaluate(r1)
+        assert_restraint_evaluate(r4)
 
         # Newly-added restraints should use regular evaluate to get first score
         clear_restraints()
@@ -90,9 +101,9 @@ def clear_restraints():
         lw.add_restraint(r3)
         self.assertAlmostEqual(lw.evaluate_moved(False, [p4]),
                                -10.308, delta=1e-3)
-        self.assertIsNone(r1.moved_evaluate)
-        self.assertFalse(r3.moved_evaluate)
-        self.assertTrue(r4.moved_evaluate)
+        assert_restraint_skipped(r1)
+        assert_restraint_evaluate(r3)
+        assert_restraint_evaluate_moved(r4)
 
 
 if __name__ == '__main__':
diff --git a/modules/kernel/src/RestraintSet.cpp b/modules/kernel/src/RestraintSet.cpp
index 4260d2e116..c4af8f22c0 100644
--- a/modules/kernel/src/RestraintSet.cpp
+++ b/modules/kernel/src/RestraintSet.cpp
@@ -74,7 +74,15 @@ void RestraintSet::do_add_score_and_derivatives_moved(
         if (last_score == NO_MAX) {
           r->add_score_and_derivatives(sa);
         } else {
+#if IMP_HAS_CHECKS >= IMP_INTERNAL
+          r->add_score_and_derivatives_moved(sa, moved_pis);
+          IMP_INTERNAL_CHECK_FLOAT_EQUAL(
+                 r->get_last_score(), last_score,
+                 "Restraint " << *r
+                 << " changed score even though particles didn't move");
+#else
           sa.add_score(last_score * r->get_weight());
+#endif
         }
       } else {
         r->add_score_and_derivatives_moved(sa, moved_pis);
diff --git a/modules/kernel/test/test_restraint_sets.py b/modules/kernel/test/test_restraint_sets.py
index 27edb33cd7..3d0bbdd5c6 100644
--- a/modules/kernel/test/test_restraint_sets.py
+++ b/modules/kernel/test/test_restraint_sets.py
@@ -103,6 +103,17 @@ def test_removed(self):
 
     def test_evaluate_moved(self):
         """Test scoring with moved particles"""
+        def assert_restraint_skipped(r):
+            # In debug mode restraints aren't actually skipped; they
+            # evaluated and the score is checked against the 'skipped' score
+            if IMP.get_check_level() >= IMP.USAGE_AND_INTERNAL:
+                assert_restraint_evaluate_moved(r)
+            else:
+                self.assertIsNone(r.moved_evaluate)
+        def assert_restraint_evaluate(r):
+            self.assertFalse(r.moved_evaluate)
+        def assert_restraint_evaluate_moved(r):
+            self.assertTrue(r.moved_evaluate)
         m = IMP.Model()
         p1 = IMP.Particle(m)
         p2 = IMP.Particle(m)
@@ -121,54 +132,54 @@ def clear_restraints():
         # Plain evaluate should *not* call the evaluate_moved method on r1,r4
         clear_restraints()
         self.assertAlmostEqual(rs.evaluate(False), 110.0, delta=1e-6)
-        self.assertFalse(r1.moved_evaluate)
-        self.assertFalse(r4.moved_evaluate)
+        assert_restraint_evaluate(r1)
+        assert_restraint_evaluate(r4)
 
         # If we move p1, r1 should be evaluate_moved, r4 skipped
         # (and score should be unchanged, of course)
         clear_restraints()
         self.assertAlmostEqual(rs.evaluate_moved(False, [p1]),
                                110.0, delta=1e-6)
-        self.assertTrue(r1.moved_evaluate)
-        self.assertIsNone(r4.moved_evaluate)
+        assert_restraint_evaluate_moved(r1)
+        assert_restraint_skipped(r4)
 
         # No restraints depend on p2
         clear_restraints()
         self.assertAlmostEqual(rs.evaluate_moved(False, [p2]),
                                110.0, delta=1e-6)
-        self.assertIsNone(r1.moved_evaluate)
-        self.assertIsNone(r4.moved_evaluate)
+        assert_restraint_skipped(r1)
+        assert_restraint_skipped(r4)
 
         # If we move p3, p4 is touched (by the LinkScoreState) so r4 should
         # be evaluate_moved
         clear_restraints()
         self.assertAlmostEqual(rs.evaluate_moved(False, [p3]),
                                110.0, delta=1e-6)
-        self.assertIsNone(r1.moved_evaluate)
-        self.assertTrue(r4.moved_evaluate)
+        assert_restraint_skipped(r1)
+        assert_restraint_evaluate_moved(r4)
 
         # p4 causes r4 to be updated
         clear_restraints()
         self.assertAlmostEqual(rs.evaluate_moved(False, [p4]),
                                110.0, delta=1e-6)
-        self.assertIsNone(r1.moved_evaluate)
-        self.assertTrue(r4.moved_evaluate)
+        assert_restraint_skipped(r1)
+        assert_restraint_evaluate_moved(r4)
 
         # Moves of multiple particles are not currently handled and will
         # fall back to plain evaluate
         clear_restraints()
         self.assertAlmostEqual(rs.evaluate_moved(False, [p1, p2]),
                                110.0, delta=1e-6)
-        self.assertFalse(r1.moved_evaluate)
-        self.assertFalse(r4.moved_evaluate)
+        assert_restraint_evaluate(r1)
+        assert_restraint_evaluate(r4)
 
         # Moves with derivatives are not currently handled and will
         # fall back to plain evaluate
         clear_restraints()
         self.assertAlmostEqual(rs.evaluate_moved(True, [p1]),
                                110.0, delta=1e-6)
-        self.assertFalse(r1.moved_evaluate)
-        self.assertFalse(r4.moved_evaluate)
+        assert_restraint_evaluate(r1)
+        assert_restraint_evaluate(r4)
 
         # Changes in weights should be handled
         innerrs.set_weight(2.)
@@ -181,15 +192,15 @@ def clear_restraints():
         clear_restraints()
         self.assertAlmostEqual(rs.evaluate_moved(False, [p1]),
                                210.0, delta=1e-6)
-        self.assertTrue(r1.moved_evaluate)
-        self.assertIsNone(r4.moved_evaluate)
+        assert_restraint_evaluate_moved(r1)
+        assert_restraint_skipped(r4)
 
         # Changing weight of a skipped restraint should be OK
         clear_restraints()
         self.assertAlmostEqual(rs.evaluate_moved(False, [p4]),
                                210.0, delta=1e-6)
-        self.assertIsNone(r1.moved_evaluate)
-        self.assertTrue(r4.moved_evaluate)
+        assert_restraint_skipped(r1)
+        assert_restraint_evaluate_moved(r4)
 
         # Cache should be cleared since we changed the dependency graph here;
         # now moving p1 should force recalc of r1 *and* r4
@@ -198,8 +209,8 @@ def clear_restraints():
         m.add_score_state(ss2)
         self.assertAlmostEqual(rs.evaluate_moved(False, [p1]),
                                210.0, delta=1e-6)
-        self.assertTrue(r1.moved_evaluate)
-        self.assertTrue(r4.moved_evaluate)
+        assert_restraint_evaluate_moved(r1)
+        assert_restraint_evaluate_moved(r4)
 
         # Newly-added restraints should use regular evaluate to get first score
         clear_restraints()
@@ -208,9 +219,9 @@ def clear_restraints():
         innerrs.add_restraint(r3)
         self.assertAlmostEqual(rs.evaluate_moved(False, [p4]),
                                240.0, delta=1e-6)
-        self.assertIsNone(r1.moved_evaluate)
-        self.assertFalse(r3.moved_evaluate)
-        self.assertTrue(r4.moved_evaluate)
+        assert_restraint_skipped(r1)
+        assert_restraint_evaluate(r3)
+        assert_restraint_evaluate_moved(r4)
 
 
 if __name__ == '__main__':

From fd8294dc93cbb0a041d59286851eeba8af29e124 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 18 Aug 2021 13:14:45 -0700
Subject: [PATCH 146/250] Warn about missing IMP_OVERRIDE

If we override a virtual method in a subclass, we
should use IMP_OVERRIDE so that the compiler reports
an error if we got the signature wrong (such that it
hides the base method instead of overriding it).
Add -Wsuggest-override to gcc warnings (if gcc is new
enough) to point out places where we missed this.
---
 modules/kernel/include/compiler_macros.h | 16 ++++++++++++++--
 1 file changed, 14 insertions(+), 2 deletions(-)

diff --git a/modules/kernel/include/compiler_macros.h b/modules/kernel/include/compiler_macros.h
index f4909153b1..10e6f1ac48 100644
--- a/modules/kernel/include/compiler_macros.h
+++ b/modules/kernel/include/compiler_macros.h
@@ -201,6 +201,18 @@
 #define IMP_HELPER_MACRO_POP_WARNINGS
 #endif
 
+// Warn about missing IMP_OVERRIDE on virtual methods if gcc is new enough
+#if __GNUC__ > 5 || (__GNUC__ == 5 && __GNUC_MINOR__ >= 1)
+#ifdef IMP_SWIG_WRAPPER
+#define IMP_GCC_OVERRIDE
+#else
+#define IMP_GCC_OVERRIDE \
+  IMP_GCC_PRAGMA(diagnostic warning "-Wsuggest-override")
+#endif
+#else
+#define IMP_GCC_OVERRIDE
+#endif
+
 #define IMP_COMPILER_ENABLE_WARNINGS                                 \
   IMP_GCC_PUSH_POP(GCC diagnostic push)                              \
       IMP_GCC_PRAGMA(diagnostic warning "-Wall")                     \
@@ -209,8 +221,8 @@
       IMP_GCC_PRAGMA(diagnostic warning "-Wcast-align")              \
       IMP_GCC_PRAGMA(diagnostic warning "-Woverloaded-virtual")      \
       IMP_GCC_PRAGMA(diagnostic warning "-Wdeprecated-declarations") \
-      IMP_GCC_PRAGMA(diagnostic warning                              \
-                     "-Wundef") IMP_GCC_PROTOTYPES IMP_GCC_CXX0X_COMPAT
+      IMP_GCC_PRAGMA(diagnostic warning "-Wundef")                   \
+      IMP_GCC_PROTOTYPES IMP_GCC_CXX0X_COMPAT IMP_GCC_OVERRIDE
 
 #define IMP_COMPILER_DISABLE_WARNINGS IMP_GCC_PUSH_POP(GCC diagnostic pop)
 

From af0916b0aa7cfe368369f6807c5a70a2060810c8 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 18 Aug 2021 14:49:44 -0700
Subject: [PATCH 147/250] Add lots of missing IMP_OVERRIDE annotations

---
 modules/algebra/include/vector_metrics.h      |  8 +-
 modules/atom/include/BondPairContainer.h      |  2 +-
 modules/atom/include/CHARMMParameters.h       |  2 +-
 modules/atom/include/Selection.h              |  2 +-
 modules/atom/include/hierarchy_tools.h        |  4 +-
 modules/atom/include/pdb.h                    | 42 ++++----
 modules/atom/include/smoothing_functions.h    |  5 +-
 .../benchmark/benchmark_random_collisions.cpp |  2 +-
 .../include/ConnectingPairContainer.h         |  2 +-
 .../include/ConsecutivePairContainer.h        |  2 +-
 .../internal/CloseBipartitePairContainer.h    |  2 +-
 .../include/internal/ClosePairContainer.h     |  2 +-
 modules/container/test/test_non_rigid.cpp     |  8 +-
 modules/core/include/ClosedCubicSpline.h      |  5 +-
 modules/core/include/ConnectivityRestraint.h  |  2 +-
 modules/core/include/Cosine.h                 |  5 +-
 modules/core/include/DiameterRestraint.h      |  4 +-
 .../core/include/ExcludedVolumeRestraint.h    |  8 +-
 modules/core/include/FixedRefiner.h           |  2 +-
 modules/core/include/Harmonic.h               |  5 +-
 modules/core/include/HarmonicWell.h           |  7 +-
 modules/core/include/Hierarchy.h              |  4 +-
 .../core/include/MSConnectivityRestraint.h    |  7 +-
 modules/core/include/MinimumRestraint.h       |  2 +-
 modules/core/include/MonteCarlo.h             |  2 +-
 .../core/include/MoveStatisticsScoreState.h   |  4 +-
 modules/core/include/RefinedPairsPairScore.h  |  2 +-
 modules/core/include/RigidBodyUmbrella.h      |  5 +-
 modules/core/include/RigidClosePairsFinder.h  |  4 +-
 .../core/include/SphereDistancePairScore.h    |  2 +-
 modules/core/include/SurfaceTetheredChain.h   |  5 +-
 modules/core/include/WeightedSum.h            |  5 +-
 .../core/include/WeightedSumOfExponential.h   |  5 +-
 .../internal/MovedSingletonContainer.h        | 24 ++---
 modules/core/include/rigid_body_geometries.h  |  4 +-
 modules/display/include/FilterGeometry.h      | 12 ++-
 modules/display/include/PymolWriter.h         | 23 +++--
 modules/display/include/geometry_macros.h     |  6 +-
 modules/display/include/internal/writers.h    |  2 +-
 modules/display/include/particle_geometry.h   |  8 +-
 modules/display/include/writer_macros.h       |  4 +-
 modules/em/include/EMReaderWriter.h           |  6 +-
 modules/em/include/EnvelopeFitRestraint.h     |  5 +-
 modules/em/include/EnvelopeScore.h            |  2 +-
 modules/em/include/MRCReaderWriter.h          |  6 +-
 modules/em/include/PCAAligner.h               |  2 +-
 modules/em/include/SpiderReaderWriter.h       |  5 +-
 modules/em/include/SurfaceShellDensityMap.h   |  2 +-
 modules/em/include/XplorReaderWriter.h        |  6 +-
 .../isd/include/GaussianAnchorEMRestraint.h   |  2 +-
 modules/isd/include/HybridMonteCarlo.h        |  2 +-
 modules/isd/include/LogWrapper.h              |  5 +-
 modules/isd/include/MolecularDynamics.h       | 12 +--
 modules/isd/include/bivariate_functions.h     | 41 ++++----
 modules/isd/include/univariate_functions.h    | 81 ++++++++--------
 modules/kernel/include/Optimizer.h            |  5 +-
 modules/kernel/include/Particle.h             |  2 +-
 modules/kernel/include/Restraint.h            |  4 +-
 modules/kernel/include/RestraintSet.h         | 17 ++--
 .../include/internal/ContainerConstraint.h    |  2 +-
 .../include/internal/ContainerRestraint.h     |  6 +-
 .../include/internal/ContainerScoreState.h    |  6 +-
 .../include/internal/ListLikeContainer.h      |  4 +-
 .../kernel/include/internal/TupleRestraint.h  |  2 +-
 modules/kernel/include/internal/swig.h        |  2 +-
 modules/kernel/src/file.cpp                   |  6 +-
 modules/kinematics/include/CompositeJoint.h   |  4 +-
 modules/kinematics/include/FibrilSampler.h    |  4 +-
 .../include/KinematicForestScoreState.h       | 12 ++-
 modules/kinematics/include/PrismaticJoint.h   |  2 +-
 modules/kinematics/include/RRT.h              |  2 +-
 .../include/UniformBackboneSampler.h          |  4 +-
 modules/kinematics/include/local_planners.h   |  2 +-
 modules/kinematics/include/revolute_joints.h  | 14 +--
 modules/misc/include/LowestRefinedPairScore.h |  2 +-
 .../include/ProteinLocalizationRestraint.h    | 95 +++++++++++--------
 .../include/internal/KMCentersNodeLeaf.h      | 10 +-
 .../include/internal/KMCentersNodeSplit.h     | 10 +-
 .../include/internal/KMFilterCenters.h        |  4 +-
 .../include/internal/KMLocalSearchLloyd.h     | 12 +--
 .../include/internal/VQClustering.h           |  7 +-
 .../container/ClassnameContainerSet.h         | 10 +-
 .../container/PredicateClassnamesRestraint.h  |  2 +-
 .../kernel/classname_macros.h                 |  8 +-
 84 files changed, 381 insertions(+), 307 deletions(-)

diff --git a/modules/algebra/include/vector_metrics.h b/modules/algebra/include/vector_metrics.h
index 8d78546443..0ff3439baa 100644
--- a/modules/algebra/include/vector_metrics.h
+++ b/modules/algebra/include/vector_metrics.h
@@ -34,10 +34,10 @@ IMP_OBJECTS(VectorKDMetric, VectorKDMetrics);
 class IMPALGEBRAEXPORT EuclideanVectorKDMetric : public VectorKDMetric {
  public:
   EuclideanVectorKDMetric(std::string name = "EuclideanVectorKDMetric%1%");
-  double get_distance(const VectorKD &a, const VectorKD &b) const {
+  double get_distance(const VectorKD &a, const VectorKD &b) const IMP_OVERRIDE {
     return get_l2_norm(a - b);
   }
-  VectorKD get_centroid(const VectorKDs &vs) const {
+  VectorKD get_centroid(const VectorKDs &vs) const IMP_OVERRIDE {
     IMP_USAGE_CHECK(!vs.empty(), "Needs things to have a centroid");
     VectorKD sum = std::accumulate(vs.begin(), vs.end(),
                                    get_zero_vector_kd(vs[0].get_dimension()));
@@ -52,10 +52,10 @@ class IMPALGEBRAEXPORT EuclideanVectorKDMetric : public VectorKDMetric {
 class IMPALGEBRAEXPORT MaxVectorKDMetric : public VectorKDMetric {
  public:
   MaxVectorKDMetric(std::string name = "MaxVectorKDMetric%1%");
-  double get_distance(const VectorKD &a, const VectorKD &b) const {
+  double get_distance(const VectorKD &a, const VectorKD &b) const IMP_OVERRIDE {
     return get_linf_norm(a - b);
   }
-  VectorKD get_centroid(const VectorKDs &vs) const {
+  VectorKD get_centroid(const VectorKDs &vs) const IMP_OVERRIDE {
     IMP_USAGE_CHECK(!vs.empty(), "Needs things to have a centroid");
     BoundingBoxKD bb = std::accumulate(vs.begin(), vs.end(),
                                        BoundingBoxKD(vs[0].get_dimension()));
diff --git a/modules/atom/include/BondPairContainer.h b/modules/atom/include/BondPairContainer.h
index 16fdbe6113..36a9c74078 100644
--- a/modules/atom/include/BondPairContainer.h
+++ b/modules/atom/include/BondPairContainer.h
@@ -53,7 +53,7 @@ class IMPATOMEXPORT BondPairContainer : public PairContainer {
   virtual ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE {
     return ModelObjects(1, sc_);
   }
-  ParticleIndexes get_all_possible_indexes() const;
+  ParticleIndexes get_all_possible_indexes() const IMP_OVERRIDE;
   IMP_PAIR_CONTAINER_METHODS(BondPairContainer);
   IMP_OBJECT_METHODS(BondPairContainer);
 };
diff --git a/modules/atom/include/CHARMMParameters.h b/modules/atom/include/CHARMMParameters.h
index 6173d7cb0e..45934ffd7e 100644
--- a/modules/atom/include/CHARMMParameters.h
+++ b/modules/atom/include/CHARMMParameters.h
@@ -324,7 +324,7 @@ class IMPATOMEXPORT CHARMMParameters : public ForceFieldParameters {
   IMP_OBJECT_METHODS(CHARMMParameters);
 
  private:
-  virtual String get_force_field_atom_type(Atom atom) const;
+  virtual String get_force_field_atom_type(Atom atom) const IMP_OVERRIDE;
 
   void read_parameter_file(TextInput input_file);
   // read topology file
diff --git a/modules/atom/include/Selection.h b/modules/atom/include/Selection.h
index 2b20073eaf..6476e5a073 100644
--- a/modules/atom/include/Selection.h
+++ b/modules/atom/include/Selection.h
@@ -353,7 +353,7 @@ class IMPATOMEXPORT SelectionGeometry : public display::Geometry {
  public:
   SelectionGeometry(atom::Selection d, std::string name = "Selection")
       : display::Geometry(name), res_(d) {}
-  display::Geometries get_components() const;
+  display::Geometries get_components() const IMP_OVERRIDE;
   IMP_OBJECT_METHODS(SelectionGeometry);
 };
 
diff --git a/modules/atom/include/hierarchy_tools.h b/modules/atom/include/hierarchy_tools.h
index c600fe71db..a14a4ef800 100644
--- a/modules/atom/include/hierarchy_tools.h
+++ b/modules/atom/include/hierarchy_tools.h
@@ -185,7 +185,7 @@ class HierarchyGeometry : public display::SingletonGeometry {
  public:
   HierarchyGeometry(core::Hierarchy d, double resolution = 0)
       : SingletonGeometry(d), res_(resolution) {}
-  display::Geometries get_components() const {
+  display::Geometries get_components() const IMP_OVERRIDE {
     display::Geometries ret;
     atom::Hierarchy d(get_particle());
     atom::Selection sel(d);
@@ -210,7 +210,7 @@ class HierarchiesGeometry : public display::SingletonsGeometry {
  public:
   HierarchiesGeometry(SingletonContainer *sc, double resolution = -1)
       : SingletonsGeometry(sc), res_(resolution) {}
-  display::Geometries get_components() const {
+  display::Geometries get_components() const IMP_OVERRIDE {
     display::Geometries ret;
     IMP_FOREACH(ParticleIndex pi, get_container()->get_contents()) {
       Model *m = get_container()->get_model();
diff --git a/modules/atom/include/pdb.h b/modules/atom/include/pdb.h
index 62cea767e0..24f7dad37f 100644
--- a/modules/atom/include/pdb.h
+++ b/modules/atom/include/pdb.h
@@ -53,7 +53,7 @@ class NonAlternativePDBSelector : public PDBSelector {
   NonAlternativePDBSelector(std::string name = "NonAlternativePDBSelector%1%")
       : PDBSelector(name) {}
 
-  bool get_is_selected(const std::string &pdb_line) const {
+  bool get_is_selected(const std::string &pdb_line) const IMP_OVERRIDE {
     return (internal::atom_alt_loc_indicator(pdb_line) == ' ' ||
             internal::atom_alt_loc_indicator(pdb_line) == 'A');
   }
@@ -66,7 +66,7 @@ class ATOMPDBSelector : public NonAlternativePDBSelector {
   ATOMPDBSelector(std::string name = "ATOMPDBSelector%1%")
       : NonAlternativePDBSelector(name) {}
 
-  bool get_is_selected(const std::string &pdb_line) const {
+  bool get_is_selected(const std::string &pdb_line) const IMP_OVERRIDE {
     return (NonAlternativePDBSelector::get_is_selected(pdb_line) &&
             internal::is_ATOM_rec(pdb_line));
   }
@@ -79,7 +79,7 @@ class CAlphaPDBSelector : public NonAlternativePDBSelector {
   CAlphaPDBSelector(std::string name = "CAlphaPDBSelector%1%")
       : NonAlternativePDBSelector(name) {}
 
-  bool get_is_selected(const std::string &pdb_line) const {
+  bool get_is_selected(const std::string &pdb_line) const IMP_OVERRIDE {
     if (!NonAlternativePDBSelector::get_is_selected(pdb_line)) return false;
     const std::string type = internal::atom_type(pdb_line);
     return (type[1] == 'C' && type[2] == 'A' && type[3] == ' ');
@@ -93,7 +93,7 @@ class CBetaPDBSelector : public NonAlternativePDBSelector {
   CBetaPDBSelector(std::string name = "CBetaPDBSelector%1%")
       : NonAlternativePDBSelector(name) {}
 
-  bool get_is_selected(const std::string &pdb_line) const {
+  bool get_is_selected(const std::string &pdb_line) const IMP_OVERRIDE {
     if (!NonAlternativePDBSelector::get_is_selected(pdb_line)) return false;
     const std::string type = internal::atom_type(pdb_line);
     return (type[1] == 'C' && type[2] == 'B' && type[3] == ' ');
@@ -115,7 +115,7 @@ class AtomTypePDBSelector : public PDBSelector {
     std::sort(atom_types_.begin(), atom_types_.end());
   }
 
-  bool get_is_selected(const std::string &pdb_line) const {
+  bool get_is_selected(const std::string &pdb_line) const IMP_OVERRIDE {
     std::string type = internal::atom_type(pdb_line);
     boost::trim(type);
     return std::binary_search(atom_types_.begin(), atom_types_.end(), type);
@@ -137,7 +137,7 @@ class ResidueTypePDBSelector : public PDBSelector {
     std::sort(residue_types_.begin(), residue_types_.end());
   }
 
-  bool get_is_selected(const std::string &pdb_line) const {
+  bool get_is_selected(const std::string &pdb_line) const IMP_OVERRIDE {
     std::string type = internal::atom_residue_name(pdb_line);
     boost::trim(type);
     return std::binary_search(residue_types_.begin(), residue_types_.end(),
@@ -152,7 +152,7 @@ class CPDBSelector : public NonAlternativePDBSelector {
   CPDBSelector(std::string name = "CPDBSelector%1%")
       : NonAlternativePDBSelector(name) {}
 
-  bool get_is_selected(const std::string &pdb_line) const {
+  bool get_is_selected(const std::string &pdb_line) const IMP_OVERRIDE {
     if (!NonAlternativePDBSelector::get_is_selected(pdb_line)) return false;
     const std::string type = internal::atom_type(pdb_line);
     return (type[1] == 'C' && type[2] == ' ' && type[3] == ' ');
@@ -166,7 +166,7 @@ class NPDBSelector : public NonAlternativePDBSelector {
   NPDBSelector(std::string name = "NPDBSelector%1%")
       : NonAlternativePDBSelector(name) {}
 
-  bool get_is_selected(const std::string &pdb_line) const {
+  bool get_is_selected(const std::string &pdb_line) const IMP_OVERRIDE {
     if (!NonAlternativePDBSelector::get_is_selected(pdb_line)) return false;
     const std::string type = internal::atom_type(pdb_line);
     return (type[1] == 'N' && type[2] == ' ' && type[3] == ' ');
@@ -179,7 +179,7 @@ class AllPDBSelector : public PDBSelector {
  public:
   AllPDBSelector(std::string name = "AllPDBSelector%1%") : PDBSelector(name) {}
 
-  bool get_is_selected(const std::string &pdb_line) const {
+  bool get_is_selected(const std::string &pdb_line) const IMP_OVERRIDE {
     return (true || pdb_line.empty());
   }
   IMP_OBJECT_METHODS(AllPDBSelector);
@@ -188,7 +188,7 @@ class AllPDBSelector : public PDBSelector {
 //! Select all ATOM and HETATM records with the given chain ids
 class ChainPDBSelector : public NonAlternativePDBSelector {
  public:
-  bool get_is_selected(const std::string &pdb_line) const {
+  bool get_is_selected(const std::string &pdb_line) const IMP_OVERRIDE {
     if (!NonAlternativePDBSelector::get_is_selected(pdb_line)) {
       return false;
     }
@@ -215,7 +215,7 @@ class WaterPDBSelector : public NonAlternativePDBSelector {
   WaterPDBSelector(std::string name = "WaterPDBSelector%1%")
       : NonAlternativePDBSelector(name) {}
 
-  bool get_is_selected(const std::string &pdb_line) const {
+  bool get_is_selected(const std::string &pdb_line) const IMP_OVERRIDE {
     if (!NonAlternativePDBSelector::get_is_selected(pdb_line)) {
       return false;
     }
@@ -234,7 +234,7 @@ class IMPATOMEXPORT HydrogenPDBSelector : public NonAlternativePDBSelector {
   HydrogenPDBSelector(std::string name = "HydrogenPDBSelector%1%")
       : NonAlternativePDBSelector(name) {}
 
-  bool get_is_selected(const std::string &pdb_line) const {
+  bool get_is_selected(const std::string &pdb_line) const IMP_OVERRIDE {
     if (!NonAlternativePDBSelector::get_is_selected(pdb_line)) return false;
     return is_hydrogen(pdb_line);
   }
@@ -246,7 +246,7 @@ class NonWaterNonHydrogenPDBSelector : public NonAlternativePDBSelector {
   IMP::PointerMember<PDBSelector> ws_, hs_;
 
  public:
-  bool get_is_selected(const std::string &pdb_line) const {
+  bool get_is_selected(const std::string &pdb_line) const IMP_OVERRIDE {
     if (!NonAlternativePDBSelector::get_is_selected(pdb_line)) {
       return false;
     }
@@ -268,7 +268,7 @@ class NonHydrogenPDBSelector : public NonAlternativePDBSelector {
   IMP::PointerMember<PDBSelector> hs_;
 
  public:
-  bool get_is_selected(const std::string &pdb_line) const {
+  bool get_is_selected(const std::string &pdb_line) const IMP_OVERRIDE {
     if (!NonAlternativePDBSelector::get_is_selected(pdb_line)) {
       return false;
     }
@@ -288,7 +288,7 @@ class NonWaterPDBSelector : public NonAlternativePDBSelector {
   IMP::PointerMember<PDBSelector> ws_;
 
  public:
-  bool get_is_selected(const std::string &pdb_line) const {
+  bool get_is_selected(const std::string &pdb_line) const IMP_OVERRIDE {
     if (!NonAlternativePDBSelector::get_is_selected(pdb_line)) {
       return false;
     }
@@ -308,7 +308,7 @@ class BackbonePDBSelector : public NonWaterNonHydrogenPDBSelector {
   BackbonePDBSelector(std::string name = "BackbonePDBSelector%1%")
       : NonWaterNonHydrogenPDBSelector(name) {}
 
-  bool get_is_selected(const std::string &pdb_line) const {
+  bool get_is_selected(const std::string &pdb_line) const IMP_OVERRIDE {
     if (!NonWaterNonHydrogenPDBSelector::get_is_selected(pdb_line))
       return false;
     const std::string type = internal::atom_type(pdb_line);
@@ -326,7 +326,7 @@ class PPDBSelector : public NonAlternativePDBSelector {
   PPDBSelector(std::string name = "PPDBSelector%1%")
       : NonAlternativePDBSelector(name) {}
 
-  bool get_is_selected(const std::string &pdb_line) const {
+  bool get_is_selected(const std::string &pdb_line) const IMP_OVERRIDE {
     if (!NonAlternativePDBSelector::get_is_selected(pdb_line)) return false;
     const std::string type = internal::atom_type(pdb_line);
     return (type[1] == 'P' && type[2] == ' ' && type[3] == ' ');
@@ -349,7 +349,7 @@ class AndPDBSelector : public PDBSelector {
   const IMP::PointerMember<PDBSelector> a_, b_;
 
  public:
-  bool get_is_selected(const std::string &pdb_line) const {
+  bool get_is_selected(const std::string &pdb_line) const IMP_OVERRIDE {
     return a_->get_is_selected(pdb_line) && b_->get_is_selected(pdb_line);
   }
   IMP_OBJECT_METHODS(AndPDBSelector);
@@ -372,7 +372,7 @@ class OrPDBSelector : public PDBSelector {
   const IMP::PointerMember<PDBSelector> a_, b_;
 
  public:
-  bool get_is_selected(const std::string &pdb_line) const {
+  bool get_is_selected(const std::string &pdb_line) const IMP_OVERRIDE {
     return a_->get_is_selected(pdb_line) || b_->get_is_selected(pdb_line);
   }
   IMP_OBJECT_METHODS(OrPDBSelector);
@@ -396,7 +396,7 @@ class XorPDBSelector : public PDBSelector {
   const IMP::PointerMember<PDBSelector> a_, b_;
 
  public:
-  bool get_is_selected(const std::string &pdb_line) const {
+  bool get_is_selected(const std::string &pdb_line) const IMP_OVERRIDE {
     return a_->get_is_selected(pdb_line) != b_->get_is_selected(pdb_line);
   }
   IMP_OBJECT_METHODS(XorPDBSelector);
@@ -419,7 +419,7 @@ class NotPDBSelector : public PDBSelector {
   const IMP::PointerMember<PDBSelector> a_;
 
  public:
-  bool get_is_selected(const std::string &pdb_line) const {
+  bool get_is_selected(const std::string &pdb_line) const IMP_OVERRIDE {
     return !a_->get_is_selected(pdb_line);
   }
   IMP_OBJECT_METHODS(NotPDBSelector);
diff --git a/modules/atom/include/smoothing_functions.h b/modules/atom/include/smoothing_functions.h
index 31338a5610..4cedbd2578 100644
--- a/modules/atom/include/smoothing_functions.h
+++ b/modules/atom/include/smoothing_functions.h
@@ -104,12 +104,13 @@ class IMPATOMEXPORT ForceSwitch : public SmoothingFunction {
     deriv_prefactor_ = 6.0 * value_prefactor_;
   }
 
-  double operator()(double score, double distance) const {
+  double operator()(double score, double distance) const IMP_OVERRIDE {
     double factor = get_value(distance);
     return score * factor;
   }
 
-  DerivativePair operator()(double score, double deriv, double distance) const {
+  DerivativePair operator()(double score, double deriv,
+                            double distance) const IMP_OVERRIDE {
     double factor = get_value(distance);
     double deriv_factor = get_deriv(distance);
     return std::make_pair(score * factor,
diff --git a/modules/container/benchmark/benchmark_random_collisions.cpp b/modules/container/benchmark/benchmark_random_collisions.cpp
index 75ba92b47f..2d1c785dc2 100644
--- a/modules/container/benchmark/benchmark_random_collisions.cpp
+++ b/modules/container/benchmark/benchmark_random_collisions.cpp
@@ -31,7 +31,7 @@ class ConstPairScore : public PairScore {
   double evaluate_index(Model *m, const ParticleIndexPair &p,
                         DerivativeAccumulator *da) const IMP_OVERRIDE;
   ModelObjectsTemp do_get_inputs(
-      Model *m, const ParticleIndexes &pis) const;
+      Model *m, const ParticleIndexes &pis) const IMP_OVERRIDE;
   IMP_PAIR_SCORE_METHODS(ConstPairScore);
   IMP_OBJECT_METHODS(ConstPairScore);
   ;
diff --git a/modules/container/include/ConnectingPairContainer.h b/modules/container/include/ConnectingPairContainer.h
index 7c6d88c7f1..0b71fd17a9 100644
--- a/modules/container/include/ConnectingPairContainer.h
+++ b/modules/container/include/ConnectingPairContainer.h
@@ -76,7 +76,7 @@ class IMPCONTAINEREXPORT ConnectingPairContainer :
   void do_score_state_after_evaluate() {}
   virtual ParticleIndexPairs get_range_indexes() const IMP_OVERRIDE;
   IMP_OBJECT_METHODS(ConnectingPairContainer);
-  bool get_is_decomposable() const { return false; }
+  bool get_is_decomposable() const IMP_OVERRIDE { return false; }
 #endif
 };
 
diff --git a/modules/container/include/ConsecutivePairContainer.h b/modules/container/include/ConsecutivePairContainer.h
index 1a5018fc52..f66392b751 100644
--- a/modules/container/include/ConsecutivePairContainer.h
+++ b/modules/container/include/ConsecutivePairContainer.h
@@ -139,7 +139,7 @@ class IMPCONTAINEREXPORT ExclusiveConsecutivePairContainer
       the exclusive consecutive pair container, so it can be now added to
       another exclusive consecutive pair container
   */
-  virtual void do_destroy();
+  virtual void do_destroy() IMP_OVERRIDE;
 
 
  public:
diff --git a/modules/container/include/internal/CloseBipartitePairContainer.h b/modules/container/include/internal/CloseBipartitePairContainer.h
index b0107cd80e..3f988e3fb4 100644
--- a/modules/container/include/internal/CloseBipartitePairContainer.h
+++ b/modules/container/include/internal/CloseBipartitePairContainer.h
@@ -89,7 +89,7 @@ class IMPCONTAINEREXPORT CloseBipartitePairContainer
     set_has_dependencies(false);
   }, );
   /**@}*/
-  void clear_caches() { reset_ = true; }
+  void clear_caches() IMP_OVERRIDE { reset_ = true; }
   virtual ParticleIndexes get_all_possible_indexes() const IMP_OVERRIDE;
   virtual ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
   void do_score_state_before_evaluate();
diff --git a/modules/container/include/internal/ClosePairContainer.h b/modules/container/include/internal/ClosePairContainer.h
index fb35baa353..232c1124ad 100644
--- a/modules/container/include/internal/ClosePairContainer.h
+++ b/modules/container/include/internal/ClosePairContainer.h
@@ -63,7 +63,7 @@ class IMPCONTAINEREXPORT ClosePairContainer
   },
   { set_has_dependencies(false); }, );
 
-  void clear_caches() { first_call_ = true; }
+  void clear_caches() IMP_OVERRIDE  { first_call_ = true; }
   double get_slack() const { return slack_; }
   double get_distance() const { return distance_; }
   void update() { do_score_state_before_evaluate(); }
diff --git a/modules/container/test/test_non_rigid.cpp b/modules/container/test/test_non_rigid.cpp
index 0d08f95ff1..307195b07a 100644
--- a/modules/container/test/test_non_rigid.cpp
+++ b/modules/container/test/test_non_rigid.cpp
@@ -23,7 +23,7 @@ class ICMover : public IMP::core::MonteCarloMover {
     pi_ = pi;
     ball_ = IMP::algebra::Sphere3D(IMP::algebra::get_zero_vector_d<3>(), r);
   }
-  IMP::core::MonteCarloMoverResult do_propose() {
+  IMP::core::MonteCarloMoverResult do_propose() IMP_OVERRIDE {
     IMP::core::NonRigidMember nrm(get_model(), pi_);
     IMP::algebra::Vector3D ic = nrm.get_internal_coordinates();
     old_ = ic;
@@ -32,12 +32,12 @@ class ICMover : public IMP::core::MonteCarloMover {
     return IMP::core::MonteCarloMoverResult(
         IMP::ParticleIndexes(1, pi_), 1.0);
   }
-  void do_reject() {
+  void do_reject() IMP_OVERRIDE {
     IMP::core::NonRigidMember nrm(get_model(), pi_);
     nrm.set_internal_coordinates(old_);
   }
-  void do_accept() {}
-  IMP::ModelObjectsTemp do_get_inputs() const {
+  void do_accept() IMP_OVERRIDE {}
+  IMP::ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE {
     return IMP::ModelObjectsTemp(1, get_model()->get_particle(pi_));
   }
   IMP_OBJECT_METHODS(ICMover);
diff --git a/modules/core/include/ClosedCubicSpline.h b/modules/core/include/ClosedCubicSpline.h
index 1dc925bf96..1b3808acc7 100644
--- a/modules/core/include/ClosedCubicSpline.h
+++ b/modules/core/include/ClosedCubicSpline.h
@@ -27,9 +27,10 @@ class IMPCOREEXPORT ClosedCubicSpline : public UnaryFunction {
    */
   ClosedCubicSpline(const Floats &values, double minrange, double spacing);
 
-  virtual DerivativePair evaluate_with_derivative(double feature) const;
+  virtual DerivativePair evaluate_with_derivative(
+                    double feature) const IMP_OVERRIDE;
 
-  virtual double evaluate(double feature) const;
+  virtual double evaluate(double feature) const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(ClosedCubicSpline);
 
diff --git a/modules/core/include/ConnectivityRestraint.h b/modules/core/include/ConnectivityRestraint.h
index 526f164dc1..b1d0ac0491 100644
--- a/modules/core/include/ConnectivityRestraint.h
+++ b/modules/core/include/ConnectivityRestraint.h
@@ -54,7 +54,7 @@ class IMPCOREEXPORT ConnectivityRestraint : public Restraint {
   //! Return the pair score used for scoring
   PairScore *get_pair_score() const { return ps_; }
 
-  Restraints do_create_current_decomposition() const;
+  Restraints do_create_current_decomposition() const IMP_OVERRIDE;
 
  public:
   double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const
diff --git a/modules/core/include/Cosine.h b/modules/core/include/Cosine.h
index bde1c08a5f..976c771b9e 100644
--- a/modules/core/include/Cosine.h
+++ b/modules/core/include/Cosine.h
@@ -31,9 +31,10 @@ class IMPCOREEXPORT Cosine : public UnaryFunction {
         periodicity_(periodicity),
         phase_(phase) {}
 
-  virtual DerivativePair evaluate_with_derivative(double feature) const;
+  virtual DerivativePair evaluate_with_derivative(
+                  double feature) const IMP_OVERRIDE;
 
-  virtual double evaluate(double feature) const;
+  virtual double evaluate(double feature) const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(Cosine);
 
diff --git a/modules/core/include/DiameterRestraint.h b/modules/core/include/DiameterRestraint.h
index bdd53b1366..dbf86b441f 100644
--- a/modules/core/include/DiameterRestraint.h
+++ b/modules/core/include/DiameterRestraint.h
@@ -49,8 +49,8 @@ class IMPCOREEXPORT DiameterRestraint : public Restraint {
   virtual IMP::ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
   IMP_OBJECT_METHODS(DiameterRestraint);
 #ifndef IMP_DOXYGEN
-  Restraints do_create_decomposition() const;
-  Restraints do_create_current_decomposition() const;
+  Restraints do_create_decomposition() const IMP_OVERRIDE;
+  Restraints do_create_current_decomposition() const IMP_OVERRIDE;
 #endif
 };
 
diff --git a/modules/core/include/ExcludedVolumeRestraint.h b/modules/core/include/ExcludedVolumeRestraint.h
index 7518d59ddd..ea68b0d2e3 100644
--- a/modules/core/include/ExcludedVolumeRestraint.h
+++ b/modules/core/include/ExcludedVolumeRestraint.h
@@ -85,11 +85,11 @@ class IMPCOREEXPORT ExcludedVolumeRestraint : public Restraint {
                           double slack = 10,
                           std::string name = "ExcludedVolumeRestraint%1%");
 
-  void clear_caches();
+  void clear_caches() IMP_OVERRIDE;
 
 #if !defined(IMP_DOXYGEN) && !defined(SWIG)
   double unprotected_evaluate_if_good(DerivativeAccumulator *da,
-                                      double max) const;
+                                      double max) const IMP_OVERRIDE;
 #endif
  public:
   double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const
@@ -97,8 +97,8 @@ class IMPCOREEXPORT ExcludedVolumeRestraint : public Restraint {
   IMP::ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
   IMP_OBJECT_METHODS(ExcludedVolumeRestraint);
   ;
-  Restraints do_create_decomposition() const;
-  Restraints do_create_current_decomposition() const;
+  Restraints do_create_decomposition() const IMP_OVERRIDE;
+  Restraints do_create_current_decomposition() const IMP_OVERRIDE;
 #ifndef IMP_DOXYGEN
   const ParticleIndexPairs &get_indexes() const { return cur_list_; }
 #endif
diff --git a/modules/core/include/FixedRefiner.h b/modules/core/include/FixedRefiner.h
index 1e7e0538e4..7d4e890717 100644
--- a/modules/core/include/FixedRefiner.h
+++ b/modules/core/include/FixedRefiner.h
@@ -58,7 +58,7 @@ class IMPCOREEXPORT FixedRefiner : public Refiner {
   }
 
   virtual ParticleIndexes const& get_refined_indexes_by_ref
-    (Model *m, ParticleIndex pi) const
+    (Model *m, ParticleIndex pi) const IMP_OVERRIDE
   {
     IMP_USAGE_CHECK(m == m_,
                     "mismatching models for refined and coarse particles");
diff --git a/modules/core/include/Harmonic.h b/modules/core/include/Harmonic.h
index 27c4585f12..0b4e695007 100644
--- a/modules/core/include/Harmonic.h
+++ b/modules/core/include/Harmonic.h
@@ -26,12 +26,13 @@ class Harmonic : public UnaryFunction {
   /** Create with the given mean and the spring constant k */
   Harmonic(Float mean, Float k) : mean_(mean), k_(k) {}
 
-  virtual DerivativePair evaluate_with_derivative(double feature) const {
+  virtual DerivativePair evaluate_with_derivative(
+                                 double feature) const IMP_OVERRIDE {
     return DerivativePair(0.5 * k_ * square(feature - mean_),
                           k_ * (feature - mean_));
   }
 
-  virtual double evaluate(double feature) const {
+  virtual double evaluate(double feature) const IMP_OVERRIDE {
     return 0.5 * k_ * square(feature - mean_);
   }
 
diff --git a/modules/core/include/HarmonicWell.h b/modules/core/include/HarmonicWell.h
index fa8f92b288..ecdced6c8b 100644
--- a/modules/core/include/HarmonicWell.h
+++ b/modules/core/include/HarmonicWell.h
@@ -49,11 +49,14 @@ class HarmonicWell : public UnaryFunction {
     IMP_USAGE_CHECK(k >= 0, "The k should be non-negative");
   }
 
-  virtual DerivativePair evaluate_with_derivative(double feature) const {
+  virtual DerivativePair evaluate_with_derivative(
+                  double feature) const IMP_OVERRIDE {
     return DerivativePair(get_score(feature), get_derivative(feature));
   }
 
-  virtual double evaluate(double feature) const { return get_score(feature); }
+  virtual double evaluate(double feature) const IMP_OVERRIDE {
+    return get_score(feature);
+  }
 
   IMP_OBJECT_METHODS(HarmonicWell);
 
diff --git a/modules/core/include/Hierarchy.h b/modules/core/include/Hierarchy.h
index 0ef3315b9b..4d88e348f3 100644
--- a/modules/core/include/Hierarchy.h
+++ b/modules/core/include/Hierarchy.h
@@ -256,7 +256,7 @@ class IMPCOREEXPORT ModifierVisitor : public HierarchyVisitor {
 
  public:
   ModifierVisitor(SingletonModifier *sm) : sm_(sm) {}
-  virtual bool operator()(Hierarchy p) {
+  virtual bool operator()(Hierarchy p) IMP_OVERRIDE {
     sm_->apply_index(p.get_model(), p.get_particle_index());
     return true;
   }
@@ -422,7 +422,7 @@ struct HierarchyCounter : public HierarchyVisitor {
   HierarchyCounter() : ct_(0) {}
 
   //! Increment the counter
-  bool operator()(Hierarchy) {
+  bool operator()(Hierarchy) IMP_OVERRIDE {
     ++ct_;
     return true;
   }
diff --git a/modules/core/include/MSConnectivityRestraint.h b/modules/core/include/MSConnectivityRestraint.h
index 19801f8481..402b25d049 100644
--- a/modules/core/include/MSConnectivityRestraint.h
+++ b/modules/core/include/MSConnectivityRestraint.h
@@ -90,11 +90,12 @@ class IMPCOREEXPORT MSConnectivityRestraint : public Restraint {
   //! Return the pair score used for scoring
   PairScore *get_pair_score() const { return ps_; }
 
-  Restraints do_create_current_decomposition() const;
+  Restraints do_create_current_decomposition() const IMP_OVERRIDE;
 
-  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
+  double unprotected_evaluate(
+                  IMP::DerivativeAccumulator *accum) const IMP_OVERRIDE;
 
-  ModelObjectsTemp do_get_inputs() const;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(MSConnectivityRestraint);
 
diff --git a/modules/core/include/MinimumRestraint.h b/modules/core/include/MinimumRestraint.h
index 1c1001984c..a954bd1965 100644
--- a/modules/core/include/MinimumRestraint.h
+++ b/modules/core/include/MinimumRestraint.h
@@ -30,7 +30,7 @@ class IMPCOREEXPORT MinimumRestraint : public Restraint {
                    const Restraints &rs = Restraints(),
                    std::string name = "MinimumRestraint %1%");
 
-  void clear_caches();
+  void clear_caches() IMP_OVERRIDE;
 
  public:
   double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const
diff --git a/modules/core/include/MonteCarlo.h b/modules/core/include/MonteCarlo.h
index 1ea0ce5ee4..3074c6eb44 100644
--- a/modules/core/include/MonteCarlo.h
+++ b/modules/core/include/MonteCarlo.h
@@ -47,7 +47,7 @@ class IMPCOREEXPORT MonteCarlo : public Optimizer {
   MonteCarlo(Model *m);
 
  protected:
-  virtual Float do_optimize(unsigned int max_steps);
+  virtual Float do_optimize(unsigned int max_steps) IMP_OVERRIDE;
   IMP_OBJECT_METHODS(MonteCarlo)
  public:
   /** By default, the optimizer returns the lowest scoring state
diff --git a/modules/core/include/MoveStatisticsScoreState.h b/modules/core/include/MoveStatisticsScoreState.h
index d633db2565..db94e10e5d 100644
--- a/modules/core/include/MoveStatisticsScoreState.h
+++ b/modules/core/include/MoveStatisticsScoreState.h
@@ -36,8 +36,8 @@ class IMPCOREEXPORT MoveStatisticsScoreState : public ScoreState {
   void reset();
   virtual void do_before_evaluate() IMP_OVERRIDE;
   virtual void do_after_evaluate(DerivativeAccumulator* da) IMP_OVERRIDE;
-  virtual ModelObjectsTemp do_get_inputs() const;
-  virtual ModelObjectsTemp do_get_outputs() const;
+  virtual ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
+  virtual ModelObjectsTemp do_get_outputs() const IMP_OVERRIDE;
   IMP_OBJECT_METHODS(MoveStatisticsScoreState);
 };
 
diff --git a/modules/core/include/RefinedPairsPairScore.h b/modules/core/include/RefinedPairsPairScore.h
index 4dd255598f..559776c6f8 100644
--- a/modules/core/include/RefinedPairsPairScore.h
+++ b/modules/core/include/RefinedPairsPairScore.h
@@ -33,7 +33,7 @@ class IMPCOREEXPORT RefinedPairsPairScore : public PairScore {
   double evaluate_index(Model *m, const ParticleIndexPair &p,
                         DerivativeAccumulator *da) const IMP_OVERRIDE;
   ModelObjectsTemp do_get_inputs(
-      Model *m, const ParticleIndexes &pis) const;
+      Model *m, const ParticleIndexes &pis) const IMP_OVERRIDE;
   IMP_PAIR_SCORE_METHODS(RefinedPairsPairScore);
   IMP_OBJECT_METHODS(RefinedPairsPairScore);
   ;
diff --git a/modules/core/include/RigidBodyUmbrella.h b/modules/core/include/RigidBodyUmbrella.h
index 15add887b1..779e7f539e 100644
--- a/modules/core/include/RigidBodyUmbrella.h
+++ b/modules/core/include/RigidBodyUmbrella.h
@@ -90,8 +90,9 @@ class IMPCOREEXPORT RigidBodyUmbrella : public Restraint {
   void set_k(double k) { k_ = k; }
 
  protected:
-  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
-  IMP::ModelObjectsTemp do_get_inputs() const;
+  double unprotected_evaluate(
+                  IMP::DerivativeAccumulator *accum) const IMP_OVERRIDE;
+  IMP::ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
   IMP_OBJECT_METHODS(RigidBodyUmbrella);
 
  private:
diff --git a/modules/core/include/RigidClosePairsFinder.h b/modules/core/include/RigidClosePairsFinder.h
index ed8c18f4b3..cefb41a8b7 100644
--- a/modules/core/include/RigidClosePairsFinder.h
+++ b/modules/core/include/RigidClosePairsFinder.h
@@ -68,14 +68,14 @@ class IMPCOREEXPORT RigidClosePairsFinder : public ClosePairsFinder {
       const ParticleIndexes &pa,
       const ParticleIndexes &pb) const;
 
-  void set_distance(double d) {
+  void set_distance(double d) IMP_OVERRIDE {
     cpf_->set_distance(d);
     ClosePairsFinder::set_distance(d);
   }
 
 #if !defined(SWIG) && !defined(IMP_DOXYGEN)
   internal::MovedSingletonContainer *get_moved_singleton_container(
-      SingletonContainer *c, double thresold) const;
+      SingletonContainer *c, double thresold) const IMP_OVERRIDE;
 #endif
   virtual IntPairs get_close_pairs(const algebra::BoundingBox3Ds &bbs) const
       IMP_OVERRIDE;
diff --git a/modules/core/include/SphereDistancePairScore.h b/modules/core/include/SphereDistancePairScore.h
index 1205b4eedf..06fad2546a 100644
--- a/modules/core/include/SphereDistancePairScore.h
+++ b/modules/core/include/SphereDistancePairScore.h
@@ -73,7 +73,7 @@ class IMPCOREEXPORT HarmonicUpperBoundSphereDiameterPairScore
   double evaluate_index(Model *m, const ParticleIndexPair &p,
                         DerivativeAccumulator *da) const IMP_OVERRIDE;
   ModelObjectsTemp do_get_inputs(
-      Model *m, const ParticleIndexes &pis) const;
+      Model *m, const ParticleIndexes &pis) const IMP_OVERRIDE;
   IMP_PAIR_SCORE_METHODS(HarmonicUpperBoundSphereDiameterPairScore);
   IMP_OBJECT_METHODS(HarmonicUpperBoundSphereDiameterPairScore);
 };
diff --git a/modules/core/include/SurfaceTetheredChain.h b/modules/core/include/SurfaceTetheredChain.h
index 0af278309b..da5da511bf 100644
--- a/modules/core/include/SurfaceTetheredChain.h
+++ b/modules/core/include/SurfaceTetheredChain.h
@@ -59,7 +59,8 @@ class SurfaceTetheredChain : public UnaryFunction {
       initialize();
     }
 
-  virtual DerivativePair evaluate_with_derivative(double feature) const {
+  virtual DerivativePair evaluate_with_derivative(
+                  double feature) const IMP_OVERRIDE {
     if (feature < z_min_) {
       return DerivativePair(z_min_deriv_ * feature + z_min_int_,
                             z_min_deriv_);
@@ -70,7 +71,7 @@ class SurfaceTetheredChain : public UnaryFunction {
     }
   }
 
-  virtual double evaluate(double feature) const {
+  virtual double evaluate(double feature) const IMP_OVERRIDE {
     return evaluate_with_derivative(feature).first;
   }
 
diff --git a/modules/core/include/WeightedSum.h b/modules/core/include/WeightedSum.h
index 31380be71c..8a9eee1cce 100644
--- a/modules/core/include/WeightedSum.h
+++ b/modules/core/include/WeightedSum.h
@@ -25,7 +25,8 @@ class WeightedSum : public UnaryFunction {
                     "More than one function and weight must be provided.");
   }
 
-  virtual DerivativePair evaluate_with_derivative(double feature) const {
+  virtual DerivativePair evaluate_with_derivative(
+                  double feature) const IMP_OVERRIDE {
     double eval = 0;
     double derv = 0;
     DerivativePair fout;
@@ -37,7 +38,7 @@ class WeightedSum : public UnaryFunction {
     return DerivativePair(eval, derv);
   }
 
-  virtual double evaluate(double feature) const {
+  virtual double evaluate(double feature) const IMP_OVERRIDE {
     double ret = 0;
     for (unsigned int i = 0; i < funcs_.size(); ++i) {
         ret += weights_[i] * funcs_[i]->evaluate(feature);
diff --git a/modules/core/include/WeightedSumOfExponential.h b/modules/core/include/WeightedSumOfExponential.h
index 2677d81255..90f519d354 100644
--- a/modules/core/include/WeightedSumOfExponential.h
+++ b/modules/core/include/WeightedSumOfExponential.h
@@ -38,7 +38,8 @@ class WeightedSumOfExponential : public UnaryFunction {
 
   }
 
-  virtual DerivativePair evaluate_with_derivative(double feature) const {
+  virtual DerivativePair evaluate_with_derivative(
+                  double feature) const IMP_OVERRIDE {
     double exp_sum = 0;
     double derv_num = 0;
     double weight_exp;
@@ -52,7 +53,7 @@ class WeightedSumOfExponential : public UnaryFunction {
     return DerivativePair(-std::log(exp_sum) * denom_, derv_num / exp_sum);
   }
 
-  virtual double evaluate(double feature) const {
+  virtual double evaluate(double feature) const IMP_OVERRIDE {
     double exp_sum = 0;
     for (unsigned int i = 0; i < funcs_.size(); ++i) {
       exp_sum += weights_[i] * std::exp(-funcs_[i]->evaluate(feature) / denom_);
diff --git a/modules/core/include/internal/MovedSingletonContainer.h b/modules/core/include/internal/MovedSingletonContainer.h
index 3421065bfa..2867548c32 100644
--- a/modules/core/include/internal/MovedSingletonContainer.h
+++ b/modules/core/include/internal/MovedSingletonContainer.h
@@ -105,20 +105,20 @@ class IMPCOREEXPORT XYZRMovedSingletonContainer
 
   //! return any particles whose center
   //! may have moved by more than get_threshold()
-  virtual ParticleIndexes do_get_moved();
+  virtual ParticleIndexes do_get_moved() IMP_OVERRIDE;
 
-  virtual void do_reset_all();
+  virtual void do_reset_all() IMP_OVERRIDE;
 
-  virtual void do_reset_moved();
+  virtual void do_reset_moved() IMP_OVERRIDE;
 
-  virtual ParticleIndexes do_initialize();
+  virtual ParticleIndexes do_initialize() IMP_OVERRIDE;
 
-  ModelObjectsTemp get_extra_inputs() const {
+  ModelObjectsTemp get_extra_inputs() const IMP_OVERRIDE {
     return ModelObjectsTemp();
   }
 
  public:
-  virtual void validate() const;
+  virtual void validate() const IMP_OVERRIDE;
 
   //! Track the changes of contained particles, such that at least all
   //! particles that moved by threshold are tracked
@@ -146,18 +146,18 @@ class IMPCOREEXPORT RigidMovedSingletonContainer
 
   //! return all rigid body members that may have moved
   //! by more than get_threshold() (since last reset?)
-  virtual ParticleIndexes do_get_moved();
+  virtual ParticleIndexes do_get_moved() IMP_OVERRIDE;
 
   //! update backup_ with the current reference frames of all
   //! bodies_, clear moved_
-  virtual void do_reset_all();
+  virtual void do_reset_all() IMP_OVERRIDE;
 
   //! update backup_ only for moved_ bodies, clear moved_
-  virtual void do_reset_moved();
+  virtual void do_reset_moved() IMP_OVERRIDE;
 
-  virtual ParticleIndexes do_initialize();
+  virtual ParticleIndexes do_initialize() IMP_OVERRIDE;
   void do_initialize_particle(ParticleIndex pi);
-  virtual void validate() const;
+  virtual void validate() const IMP_OVERRIDE;
 
   /**
      If internal checks are on, compare the global cartesian coordinates of all members of
@@ -191,7 +191,7 @@ class IMPCOREEXPORT RigidMovedSingletonContainer
                                 .get_rotation());
     }
   }
-  ModelObjectsTemp get_extra_inputs() const;
+  ModelObjectsTemp get_extra_inputs() const IMP_OVERRIDE;
 
  public:
   //! Track the changes with the specified keys.
diff --git a/modules/core/include/rigid_body_geometries.h b/modules/core/include/rigid_body_geometries.h
index 7e22aae17a..70cad663c7 100644
--- a/modules/core/include/rigid_body_geometries.h
+++ b/modules/core/include/rigid_body_geometries.h
@@ -26,7 +26,7 @@ class IMPCOREEXPORT RigidBodyHierarchyGeometry
  public:
   RigidBodyHierarchyGeometry(RigidBody rb,
                              const ParticlesTemp &constituents);
-  display::Geometries get_components() const;
+  display::Geometries get_components() const IMP_OVERRIDE;
   IMP_OBJECT_METHODS(RigidBodyHierarchyGeometry);
 };
 
@@ -47,7 +47,7 @@ class IMPCOREEXPORT RigidBodyTorque : public display::SegmentGeometry {
 
  public:
   RigidBodyTorque(Particle *p);
-  const algebra::Segment3D &get_geometry() const;
+  const algebra::Segment3D &get_geometry() const IMP_OVERRIDE;
 };
 
 IMPCORE_END_NAMESPACE
diff --git a/modules/display/include/FilterGeometry.h b/modules/display/include/FilterGeometry.h
index 21b8ddb281..8990ad265a 100644
--- a/modules/display/include/FilterGeometry.h
+++ b/modules/display/include/FilterGeometry.h
@@ -28,10 +28,14 @@ class IMPDISPLAYEXPORT FilterGeometry : public GeometryProcessor,
   const algebra::Plane3D &p_;
   Geometries gdata_;
   mutable Geometries filtered_;
-  bool handle_sphere(SphereGeometry *g, Color color, std::string name);
-  bool handle_cylinder(CylinderGeometry *g, Color color, std::string name);
-  bool handle_point(PointGeometry *g, Color color, std::string name);
-  bool handle_segment(SegmentGeometry *g, Color color, std::string name);
+  bool handle_sphere(SphereGeometry *g, Color color,
+                     std::string name) IMP_OVERRIDE;
+  bool handle_cylinder(CylinderGeometry *g, Color color,
+                       std::string name) IMP_OVERRIDE;
+  bool handle_point(PointGeometry *g, Color color,
+                    std::string name) IMP_OVERRIDE;
+  bool handle_segment(SegmentGeometry *g, Color color,
+                      std::string name) IMP_OVERRIDE;
 
  public:
   //! Pay attention to the orientation of the plane.
diff --git a/modules/display/include/PymolWriter.h b/modules/display/include/PymolWriter.h
index 5b135db850..c9fdb0a83a 100644
--- a/modules/display/include/PymolWriter.h
+++ b/modules/display/include/PymolWriter.h
@@ -44,16 +44,23 @@ class IMPDISPLAYEXPORT PymolWriter : public TextWriter {
   friend class CGOAnimationWriter;
   void setup(std::string name, Type type, bool opendata = true);
   void cleanup(std::string name, bool close = true);
-  bool handle_sphere(SphereGeometry *g, Color color, std::string name);
-  bool handle_cylinder(CylinderGeometry *g, Color color, std::string name);
-  bool handle_point(PointGeometry *g, Color color, std::string name);
-  bool handle_segment(SegmentGeometry *g, Color color, std::string name);
-  bool handle_polygon(PolygonGeometry *g, Color color, std::string name);
-  bool handle_triangle(TriangleGeometry *g, Color color, std::string name);
-  bool handle_label(LabelGeometry *g, Color color, std::string name);
+  bool handle_sphere(SphereGeometry *g, Color color,
+                     std::string name) IMP_OVERRIDE;
+  bool handle_cylinder(CylinderGeometry *g, Color color,
+                       std::string name) IMP_OVERRIDE;
+  bool handle_point(PointGeometry *g, Color color,
+                    std::string name) IMP_OVERRIDE;
+  bool handle_segment(SegmentGeometry *g, Color color,
+                      std::string name) IMP_OVERRIDE;
+  bool handle_polygon(PolygonGeometry *g, Color color,
+                      std::string name) IMP_OVERRIDE;
+  bool handle_triangle(TriangleGeometry *g, Color color,
+                       std::string name) IMP_OVERRIDE;
+  bool handle_label(LabelGeometry *g, Color color,
+                    std::string name) IMP_OVERRIDE;
   bool handle_surface(SurfaceMeshGeometry *g, Color color, std::string name);
 
-  void do_set_frame();
+  void do_set_frame() IMP_OVERRIDE;
 
  public:
   IMP_TEXT_WRITER(PymolWriter);
diff --git a/modules/display/include/geometry_macros.h b/modules/display/include/geometry_macros.h
index ce07f9e25a..2b8843d89b 100644
--- a/modules/display/include/geometry_macros.h
+++ b/modules/display/include/geometry_macros.h
@@ -147,7 +147,7 @@
    public:                                                                 \
     Name##sGeometry(SingletonContainer *sc)                                \
         : display::SingletonsGeometry(sc) {}                               \
-    display::Geometries get_components() const {                           \
+    display::Geometries get_components() const IMP_OVERRIDE {              \
       display::Geometries ret;                                             \
       IMP_FOREACH(ParticleIndex pi, get_container()->get_contents()) {     \
         Decorator d(get_container()->get_model(), pi);                     \
@@ -164,7 +164,7 @@
    public:                                                             \
     Name##Geometry(const ParticlePair &pp)                     \
         : display::PairGeometry(pp) {}                                 \
-    display::Geometries get_components() const {                       \
+    display::Geometries get_components() const IMP_OVERRIDE {          \
       display::Geometries ret;                                         \
       Decorator d0(get_particle_pair()[0]);                            \
       Decorator d1(get_particle_pair()[1]);                            \
@@ -177,7 +177,7 @@
   class Name##sGeometry : public display::PairsGeometry {              \
    public:                                                             \
     Name##sGeometry(PairContainer *sc) : display::PairsGeometry(sc) {} \
-    display::Geometries get_components() const {                       \
+    display::Geometries get_components() const IMP_OVERRIDE {          \
       display::Geometries ret;                                         \
       IMP_FOREACH(ParticleIndexPair pip,                       \
                   get_container()->get_contents()) {                   \
diff --git a/modules/display/include/internal/writers.h b/modules/display/include/internal/writers.h
index 8ac5f78886..8c843b8758 100644
--- a/modules/display/include/internal/writers.h
+++ b/modules/display/include/internal/writers.h
@@ -28,7 +28,7 @@ template <class Wr>
 class WriterFactoryHelper : public WriterFactory {
  public:
   WriterFactoryHelper() {}
-  Writer *create(std::string name) const {
+  Writer *create(std::string name) const IMP_OVERRIDE {
     return new Wr(TextOutput(name));
   }
 };
diff --git a/modules/display/include/particle_geometry.h b/modules/display/include/particle_geometry.h
index b7db0d49c5..e32739d412 100644
--- a/modules/display/include/particle_geometry.h
+++ b/modules/display/include/particle_geometry.h
@@ -27,11 +27,11 @@ class IMPDISPLAYEXPORT SingletonGeometry : public Geometry {
  public:
   SingletonGeometry(Particle *p);
 
-  bool get_has_color() const {
+  bool get_has_color() const IMP_OVERRIDE {
     return Geometry::get_has_color() || Colored::get_is_setup(p_);
   }
 
-  Color get_color() const {
+  Color get_color() const IMP_OVERRIDE {
     if (Geometry::get_has_color()) {
       return Geometry::get_color();
     } else {
@@ -67,12 +67,12 @@ class IMPDISPLAYEXPORT PairGeometry : public Geometry {
  public:
   PairGeometry(const ParticlePair &pp);
 
-  bool get_has_color() const {
+  bool get_has_color() const IMP_OVERRIDE {
     return Geometry::get_has_color() || Colored::get_is_setup(p0_) ||
            Colored::get_is_setup(p1_);
   }
 
-  Color get_color() const {
+  Color get_color() const IMP_OVERRIDE {
     if (Geometry::get_has_color()) {
       return Geometry::get_color();
     } else if (Colored::get_is_setup(p0_))
diff --git a/modules/display/include/writer_macros.h b/modules/display/include/writer_macros.h
index 9ae370cb6d..116c5ae869 100644
--- a/modules/display/include/writer_macros.h
+++ b/modules/display/include/writer_macros.h
@@ -31,8 +31,8 @@
                                                               \
  protected:                                                   \
   virtual void do_destroy() IMP_OVERRIDE { do_close(); }      \
-  virtual void do_open();                                     \
-  virtual void do_close()
+  virtual void do_open() IMP_OVERRIDE;                         \
+  virtual void do_close() IMP_OVERRIDE
 
 #define IMP_WRITER(Name)                                 \
   IMP_OBJECT_METHODS(Name);                              \
diff --git a/modules/em/include/EMReaderWriter.h b/modules/em/include/EMReaderWriter.h
index b0a86117a6..de111026f7 100644
--- a/modules/em/include/EMReaderWriter.h
+++ b/modules/em/include/EMReaderWriter.h
@@ -27,7 +27,9 @@ class IMPEMEXPORT EMReaderWriter : public MapReaderWriter {
    \param[in] header DensityHeader() to store the header information
    \exception IOException in case that the filename was not found
    */
-  void read(const char *filename, float **data, DensityHeader &header);
+  void read(const char *filename, float **data,
+            DensityHeader &header) IMP_OVERRIDE;
+
   //! Writes a density file in EM format with the header information
   /**
      \param[in] filename name of the file to read
@@ -35,7 +37,7 @@ class IMPEMEXPORT EMReaderWriter : public MapReaderWriter {
      \param[in] header DensityHeader() with the header information
   */
   void write(const char *filename, const float *data,
-             const DensityHeader &header);
+             const DensityHeader &header) IMP_OVERRIDE;
 #endif
  protected:
   //! Reads the header
diff --git a/modules/em/include/EnvelopeFitRestraint.h b/modules/em/include/EnvelopeFitRestraint.h
index 1e5efbe085..30823e6e62 100644
--- a/modules/em/include/EnvelopeFitRestraint.h
+++ b/modules/em/include/EnvelopeFitRestraint.h
@@ -45,7 +45,8 @@ class IMPEMEXPORT EnvelopeFitRestraint : public IMP::Restraint {
   EnvelopeFitRestraint(Particles particles, DensityMap *em_map,
                        double density_threshold, double penetration_threshold);
 
-  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
+  double unprotected_evaluate(
+                  IMP::DerivativeAccumulator *accum) const IMP_OVERRIDE;
 
   // compute and return best scoring transformation
   algebra::Transformation3D get_transformation() const {
@@ -56,7 +57,7 @@ class IMPEMEXPORT EnvelopeFitRestraint : public IMP::Restraint {
   // compute best scoring transformation and apply it on the particles
   void apply_transformation();
 
-  IMP::ModelObjectsTemp do_get_inputs() const { return ps_; }
+  IMP::ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE { return ps_; }
   IMP_OBJECT_METHODS(EnvelopeFitRestraint);
 
  private:
diff --git a/modules/em/include/EnvelopeScore.h b/modules/em/include/EnvelopeScore.h
index fa9bb4d90f..1cbb20b050 100644
--- a/modules/em/include/EnvelopeScore.h
+++ b/modules/em/include/EnvelopeScore.h
@@ -60,7 +60,7 @@ class IMPEMEXPORT EnvelopeScore : public IMP::Object {
                const IMP::algebra::Transformation3D& trans) const;
 
   // methods required by Object
-  IMP::VersionInfo get_version_info() const {
+  IMP::VersionInfo get_version_info() const IMP_OVERRIDE {
     return IMP::VersionInfo(get_module_name(), get_module_version());
   }
 
diff --git a/modules/em/include/MRCReaderWriter.h b/modules/em/include/MRCReaderWriter.h
index 67c103c0ac..6cb7e49a83 100644
--- a/modules/em/include/MRCReaderWriter.h
+++ b/modules/em/include/MRCReaderWriter.h
@@ -28,9 +28,11 @@ class IMPEMEXPORT MRCReaderWriter : public MapReaderWriter {
   MRCReaderWriter(std::string fn) { filename = fn; }
 #if !defined(DOXYGEN) && !defined(SWIG)
   //! Reads an MRC file and translates the header to the general DensityHeader
-  void read(const char *fn_in, float **data, DensityHeader &head);
+  void read(const char *fn_in, float **data, DensityHeader &head) IMP_OVERRIDE;
+
   //! Writes an MRC file from the data and the general DensityHeader
-  void write(const char *fn_out, const float *data, const DensityHeader &head);
+  void write(const char *fn_out, const float *data,
+             const DensityHeader &head) IMP_OVERRIDE;
 #endif
 
  private:
diff --git a/modules/em/include/PCAAligner.h b/modules/em/include/PCAAligner.h
index 36fd80aee2..59f3465446 100644
--- a/modules/em/include/PCAAligner.h
+++ b/modules/em/include/PCAAligner.h
@@ -46,7 +46,7 @@ class IMPEMEXPORT PCAAligner : public IMP::Object {
   algebra::Transformation3Ds align(const algebra::Vector3Ds& points) const;
 
   // methods required by Object
-  IMP::VersionInfo get_version_info() const {
+  IMP::VersionInfo get_version_info() const IMP_OVERRIDE {
     return IMP::VersionInfo(get_module_name(), get_module_version());
   }
 
diff --git a/modules/em/include/SpiderReaderWriter.h b/modules/em/include/SpiderReaderWriter.h
index 2f82900b0d..4d97c5ee7d 100644
--- a/modules/em/include/SpiderReaderWriter.h
+++ b/modules/em/include/SpiderReaderWriter.h
@@ -71,7 +71,8 @@ class IMPEMEXPORT SpiderMapReaderWriter : public MapReaderWriter {
    *  \param[in] header DensityHeader class where to store the info
    *  from the header.
    */
-  void read(const char *filename, float **data, DensityHeader &header);
+  void read(const char *filename, float **data,
+            DensityHeader &header) IMP_OVERRIDE;
 
   //! Writes a map in Spider format from data and header.
   /**
@@ -81,7 +82,7 @@ class IMPEMEXPORT SpiderMapReaderWriter : public MapReaderWriter {
    *  data from the header.
    */
   void write(const char *filename, const float *data,
-             const DensityHeader &header);
+             const DensityHeader &header) IMP_OVERRIDE;
 #endif
   IMP_OBJECT_METHODS(SpiderMapReaderWriter);
 };
diff --git a/modules/em/include/SurfaceShellDensityMap.h b/modules/em/include/SurfaceShellDensityMap.h
index 3e8d2c157f..7146b5af18 100644
--- a/modules/em/include/SurfaceShellDensityMap.h
+++ b/modules/em/include/SurfaceShellDensityMap.h
@@ -60,7 +60,7 @@ class IMPEMEXPORT SurfaceShellDensityMap : public SampledDensityMap {
   corresponding shell ( the value increases as the voxel is further away
   from the surface).
   */
-  void resample();
+  void resample() IMP_OVERRIDE;
   //! Set the value of the map voxels as either scene or background
   /**
     \param[in] scene_val      all voxels corresponding to particles will
diff --git a/modules/em/include/XplorReaderWriter.h b/modules/em/include/XplorReaderWriter.h
index d5e8f73f67..c73c319297 100644
--- a/modules/em/include/XplorReaderWriter.h
+++ b/modules/em/include/XplorReaderWriter.h
@@ -23,9 +23,11 @@ IMPEM_BEGIN_NAMESPACE
 class IMPEMEXPORT XplorReaderWriter : public MapReaderWriter {
 #if !defined(DOXYGEN) && !defined(SWIG)
  public:
-  void read(const char *filename, float **data, DensityHeader &header);
+  void read(const char *filename, float **data,
+            DensityHeader &header) IMP_OVERRIDE;
+
   void write(const char *filename, const float *data,
-             const DensityHeader &header);
+             const DensityHeader &header) IMP_OVERRIDE;
 
  protected:
   int read_header(std::ifstream &XPLORstream, internal::XplorHeader &header);
diff --git a/modules/isd/include/GaussianAnchorEMRestraint.h b/modules/isd/include/GaussianAnchorEMRestraint.h
index 3270d475e0..f70a433e46 100644
--- a/modules/isd/include/GaussianAnchorEMRestraint.h
+++ b/modules/isd/include/GaussianAnchorEMRestraint.h
@@ -138,7 +138,7 @@ class IMPISDEXPORT GaussianAnchorEMRestraint : public ISDRestraint
     ParticlesTemp ret =  density_ps_;
     return ret;
   }
-  double get_probability() const {
+  double get_probability() const IMP_OVERRIDE {
     return exp(-unprotected_evaluate(NULL));
   }
 
diff --git a/modules/isd/include/HybridMonteCarlo.h b/modules/isd/include/HybridMonteCarlo.h
index 4b771f7e82..a199026898 100644
--- a/modules/isd/include/HybridMonteCarlo.h
+++ b/modules/isd/include/HybridMonteCarlo.h
@@ -51,7 +51,7 @@ class IMPISDEXPORT HybridMonteCarlo : public core::MonteCarlo {
   // evaluate should return the total energy
   double do_evaluate(const ParticleIndexes &, bool) const IMP_OVERRIDE;
 
-  virtual void do_step();
+  virtual void do_step() IMP_OVERRIDE;
   IMP_OBJECT_METHODS(HybridMonteCarlo);
 
  private:
diff --git a/modules/isd/include/LogWrapper.h b/modules/isd/include/LogWrapper.h
index 3e4681b9e1..6ed04cdf56 100644
--- a/modules/isd/include/LogWrapper.h
+++ b/modules/isd/include/LogWrapper.h
@@ -37,9 +37,10 @@ class IMPISDEXPORT LogWrapper : public RestraintSet {
     virtual double unprotected_evaluate_moved(
         IMP::DerivativeAccumulator* accum,
         const ParticleIndexes &moved_pis) const IMP_OVERRIDE;
-    void do_add_score_and_derivatives(ScoreAccumulator sa) const;
+    void do_add_score_and_derivatives(ScoreAccumulator sa) const IMP_OVERRIDE;
     void do_add_score_and_derivatives_moved(
-                  ScoreAccumulator sa, const ParticleIndexes &moved_pis) const;
+                  ScoreAccumulator sa,
+                  const ParticleIndexes &moved_pis) const IMP_OVERRIDE;
 
     IMP_OBJECT_METHODS(LogWrapper);
 
diff --git a/modules/isd/include/MolecularDynamics.h b/modules/isd/include/MolecularDynamics.h
index 973cdf19a3..ebcad32a85 100644
--- a/modules/isd/include/MolecularDynamics.h
+++ b/modules/isd/include/MolecularDynamics.h
@@ -28,23 +28,23 @@ class IMPISDEXPORT MolecularDynamics : public atom::MolecularDynamics {
   MolecularDynamics(Model *m = nullptr);
 
   //! Return the current kinetic energy of the system, in kcal/mol
-  Float get_kinetic_energy() const;
+  Float get_kinetic_energy() const IMP_OVERRIDE;
 
   //! Assign velocities representative of the given temperature
-  void assign_velocities(Float temperature);
+  void assign_velocities(Float temperature) IMP_OVERRIDE;
 
  protected:
-  bool get_is_simulation_particle(ParticleIndex pi) const;
+  bool get_is_simulation_particle(ParticleIndex pi) const IMP_OVERRIDE;
 
-  void setup_degrees_of_freedom(const ParticleIndexes &ps);
+  void setup_degrees_of_freedom(const ParticleIndexes &ps) IMP_OVERRIDE;
 
   //! First part of velocity Verlet (update coordinates and half-step velocity)
   void propagate_coordinates(const ParticleIndexes &ps,
-                             double step_size);
+                             double step_size) IMP_OVERRIDE;
 
   //! Second part of velocity Verlet (update velocity)
   void propagate_velocities(const ParticleIndexes &ps,
-                            double step_size);
+                            double step_size) IMP_OVERRIDE;
 
   //! Keys of the xyz velocities
   FloatKey vnuis_;
diff --git a/modules/isd/include/bivariate_functions.h b/modules/isd/include/bivariate_functions.h
index e0fa596cde..462d094b54 100644
--- a/modules/isd/include/bivariate_functions.h
+++ b/modules/isd/include/bivariate_functions.h
@@ -134,7 +134,7 @@ class IMPISDEXPORT Covariance1DFunction : public BivariateFunction {
     update();
   }
 
-  bool has_changed() const {
+  bool has_changed() const IMP_OVERRIDE {
     double tmpt = Scale(tau_).get_nuisance();
     double tmpl = Scale(lambda_).get_nuisance();
     IMP_LOG_VERBOSE("Covariance1DFunction: has_changed(): ");
@@ -150,7 +150,7 @@ class IMPISDEXPORT Covariance1DFunction : public BivariateFunction {
     }
   }
 
-  void update() {
+  void update() IMP_OVERRIDE {
     lambda_val_ = Scale(lambda_).get_nuisance();
     tau_val_ = Scale(tau_).get_nuisance();
     IMP_LOG_TERSE("Covariance1DFunction: update()  tau:= "
@@ -162,14 +162,14 @@ class IMPISDEXPORT Covariance1DFunction : public BivariateFunction {
     IMP_INTERNAL_CHECK(lambda_val_ != 0, "lambda is zero.");
   }
 
-  Floats operator()(const Floats& x1, const Floats& x2) const {
+  Floats operator()(const Floats& x1, const Floats& x2) const IMP_OVERRIDE {
     IMP_USAGE_CHECK(x1.size() == 1, "expecting a 1-D vector");
     IMP_USAGE_CHECK(x2.size() == 1, "expecting a 1-D vector");
     Floats ret(1, get_value(x1[0], x2[0]));
     return ret;
   }
 
-  Eigen::MatrixXd operator()(const IMP::FloatsList& xlist) const {
+  Eigen::MatrixXd operator()(const IMP::FloatsList& xlist) const IMP_OVERRIDE {
     const unsigned M = xlist.size();
     Eigen::MatrixXd Mret(M, M);
     for (unsigned i = 0; i < M; i++) {
@@ -186,7 +186,7 @@ class IMPISDEXPORT Covariance1DFunction : public BivariateFunction {
     return Mret;
   }
 
-  FloatsList operator()(const IMP::FloatsList& xlist, bool) const {
+  FloatsList operator()(const IMP::FloatsList& xlist, bool) const IMP_OVERRIDE {
     Eigen::MatrixXd mat((*this)(xlist));
     FloatsList ret;
     for (unsigned i = 0; i < xlist.size(); i++)
@@ -196,7 +196,7 @@ class IMPISDEXPORT Covariance1DFunction : public BivariateFunction {
   }
 
   void add_to_derivatives(const Floats& x1, const Floats& x2,
-                          DerivativeAccumulator& accum) const {
+                          DerivativeAccumulator& accum) const IMP_OVERRIDE {
     // d[w(x1,x2)]/dtau = 2/tau*(w(x1,x2))
     double val = get_value(x1[0], x2[0]);
     double tauderiv = 2. / tau_val_ * val;
@@ -213,7 +213,7 @@ class IMPISDEXPORT Covariance1DFunction : public BivariateFunction {
   }
 
   void add_to_particle_derivative(unsigned particle_no, double value,
-                                  DerivativeAccumulator& accum) const {
+                          DerivativeAccumulator& accum) const IMP_OVERRIDE {
     switch (particle_no) {
       case 0:  // tau
         IMP_INTERNAL_CHECK(!IMP::isnan(value), "tau derivative is nan.");
@@ -229,7 +229,7 @@ class IMPISDEXPORT Covariance1DFunction : public BivariateFunction {
   }
 
   Eigen::MatrixXd get_derivative_matrix(unsigned particle_no,
-                                        const FloatsList& xlist) const {
+                                const FloatsList& xlist) const IMP_OVERRIDE {
     // Strategy: fill in the main diagonal, then fill with zeros
     // if the value of the function falls below cutoff.
     // assumes data points are ordered!
@@ -315,7 +315,7 @@ class IMPISDEXPORT Covariance1DFunction : public BivariateFunction {
   }
 
   FloatsList get_derivative_matrix(unsigned particle_no,
-                                   const FloatsList& xlist, bool) const {
+                         const FloatsList& xlist, bool) const IMP_OVERRIDE {
     Eigen::MatrixXd mat(get_derivative_matrix(particle_no, xlist));
     FloatsList ret;
     for (int i = 0; i < mat.rows(); i++) {
@@ -327,7 +327,8 @@ class IMPISDEXPORT Covariance1DFunction : public BivariateFunction {
   }
 
   Eigen::MatrixXd get_second_derivative_matrix(
-      unsigned particle_a, unsigned particle_b, const FloatsList& xlist) const {
+      unsigned particle_a, unsigned particle_b,
+      const FloatsList& xlist) const IMP_OVERRIDE {
     unsigned N(xlist.size());
     Eigen::MatrixXd ret(N, N);
     if (particle_a > 1) IMP_THROW("Invalid particle 1 number", ModelException);
@@ -369,9 +370,9 @@ class IMPISDEXPORT Covariance1DFunction : public BivariateFunction {
     return ret;
   }
 
-  FloatsList get_second_derivative_matrix(unsigned particle_a,
-                                          unsigned particle_b,
-                                          const FloatsList& xlist, bool) const {
+  FloatsList get_second_derivative_matrix(
+          unsigned particle_a, unsigned particle_b,
+          const FloatsList& xlist, bool) const IMP_OVERRIDE {
     Eigen::MatrixXd mat(
         get_second_derivative_matrix(particle_a, particle_b, xlist));
     FloatsList ret;
@@ -383,13 +384,13 @@ class IMPISDEXPORT Covariance1DFunction : public BivariateFunction {
     return ret;
   }
 
-  unsigned get_ndims_x1() const { return 1; }
-  unsigned get_ndims_x2() const { return 1; }
-  unsigned get_ndims_y() const { return 1; }
+  unsigned get_ndims_x1() const IMP_OVERRIDE { return 1; }
+  unsigned get_ndims_x2() const IMP_OVERRIDE { return 1; }
+  unsigned get_ndims_y() const IMP_OVERRIDE { return 1; }
 
-  unsigned get_number_of_particles() const { return 2; }
+  unsigned get_number_of_particles() const IMP_OVERRIDE { return 2; }
 
-  bool get_particle_is_optimized(unsigned particle_no) const {
+  bool get_particle_is_optimized(unsigned particle_no) const IMP_OVERRIDE {
     switch (particle_no) {
       case 0:  // tau
         return Scale(tau_).get_nuisance_is_optimized();
@@ -400,14 +401,14 @@ class IMPISDEXPORT Covariance1DFunction : public BivariateFunction {
     }
   }
 
-  unsigned get_number_of_optimized_particles() const {
+  unsigned get_number_of_optimized_particles() const IMP_OVERRIDE {
     unsigned count = 0;
     if (Scale(tau_).get_nuisance_is_optimized()) count++;
     if (Scale(lambda_).get_nuisance_is_optimized()) count++;
     return count;
   }
 
-  ModelObjectsTemp get_inputs() const {
+  ModelObjectsTemp get_inputs() const IMP_OVERRIDE {
     ModelObjectsTemp ret;
     ret.push_back(tau_);
     ret.push_back(lambda_);
diff --git a/modules/isd/include/univariate_functions.h b/modules/isd/include/univariate_functions.h
index d606f61b37..568e26c61c 100644
--- a/modules/isd/include/univariate_functions.h
+++ b/modules/isd/include/univariate_functions.h
@@ -117,7 +117,7 @@ class IMPISDEXPORT Linear1DFunction : public UnivariateFunction {
     update();
   }
 
-  bool has_changed() const {
+  bool has_changed() const IMP_OVERRIDE {
     double tmpa = Nuisance(a_).get_nuisance();
     double tmpb = Nuisance(b_).get_nuisance();
     if ((std::abs(tmpa - a_val_) > IMP_ISD_UNIVARIATE_FUNCTIONS_MINIMUM) ||
@@ -130,20 +130,20 @@ class IMPISDEXPORT Linear1DFunction : public UnivariateFunction {
     }
   }
 
-  void update() {
+  void update() IMP_OVERRIDE {
     a_val_ = Nuisance(a_).get_nuisance();
     b_val_ = Nuisance(b_).get_nuisance();
     IMP_LOG_TERSE("Linear1DFunction: update()  a:= " << a_val_ << " b:="
                                                      << b_val_ << std::endl);
   }
 
-  Floats operator()(const Floats& x) const {
+  Floats operator()(const Floats& x) const IMP_OVERRIDE {
     IMP_USAGE_CHECK(x.size() == 1, "expecting a 1-D vector");
     Floats ret(1, a_val_ * x[0] + b_val_);
     return ret;
   }
 
-  Eigen::VectorXd operator()(const FloatsList& xlist) const {
+  Eigen::VectorXd operator()(const FloatsList& xlist) const IMP_OVERRIDE {
     unsigned M = xlist.size();
     Eigen::VectorXd retlist(M);
     for (unsigned i = 0; i < M; i++) {
@@ -153,7 +153,7 @@ class IMPISDEXPORT Linear1DFunction : public UnivariateFunction {
     return retlist;
   }
 
-  FloatsList operator()(const FloatsList& xlist, bool) const {
+  FloatsList operator()(const FloatsList& xlist, bool) const IMP_OVERRIDE {
     Eigen::VectorXd vec((*this)(xlist));
     FloatsList ret;
     for (unsigned i = 0; i < xlist.size(); i++)
@@ -161,7 +161,8 @@ class IMPISDEXPORT Linear1DFunction : public UnivariateFunction {
     return ret;
   }
 
-  void add_to_derivatives(const Floats& x, DerivativeAccumulator& accum) const {
+  void add_to_derivatives(const Floats& x,
+                          DerivativeAccumulator& accum) const IMP_OVERRIDE {
     // d[f(x)]/da = x
     Nuisance(a_).add_to_nuisance_derivative(x[0], accum);
     // d[f(x)]/db = 1
@@ -169,7 +170,7 @@ class IMPISDEXPORT Linear1DFunction : public UnivariateFunction {
   }
 
   void add_to_particle_derivative(unsigned particle_no, double value,
-                                  DerivativeAccumulator& accum) const {
+                          DerivativeAccumulator& accum) const IMP_OVERRIDE {
     switch (particle_no) {
       case 0:
         Nuisance(a_).add_to_nuisance_derivative(value, accum);
@@ -183,7 +184,7 @@ class IMPISDEXPORT Linear1DFunction : public UnivariateFunction {
   }
 
   Eigen::VectorXd get_derivative_vector(unsigned particle_no,
-                                        const FloatsList& xlist) const {
+                               const FloatsList& xlist) const IMP_OVERRIDE {
     unsigned N = xlist.size();
     Eigen::VectorXd ret(N);
     switch (particle_no) {
@@ -199,7 +200,8 @@ class IMPISDEXPORT Linear1DFunction : public UnivariateFunction {
     return ret;
   }
 
-  FloatsList get_derivative_matrix(const FloatsList& xlist, bool) const {
+  FloatsList get_derivative_matrix(
+                  const FloatsList& xlist, bool) const IMP_OVERRIDE {
     Eigen::MatrixXd mat(xlist.size(), 2);
     mat.col(0) = get_derivative_vector(0, xlist);
     mat.col(1) = get_derivative_vector(1, xlist);
@@ -213,16 +215,16 @@ class IMPISDEXPORT Linear1DFunction : public UnivariateFunction {
   }
 
   Eigen::VectorXd get_second_derivative_vector(
-      unsigned, unsigned, const FloatsList& xlist) const {
+      unsigned, unsigned, const FloatsList& xlist) const IMP_OVERRIDE {
     // The Hessian is zero for all particles.
     unsigned N = xlist.size();
     Eigen::VectorXd H(Eigen::VectorXd::Zero(N));
     return H;
   }
 
-  FloatsList get_second_derivative_vector(unsigned particle_a,
-                                          unsigned particle_b,
-                                          const FloatsList& xlist, bool) const {
+  FloatsList get_second_derivative_vector(
+                unsigned particle_a, unsigned particle_b,
+                const FloatsList& xlist, bool) const IMP_OVERRIDE {
     Eigen::VectorXd mat(
         get_second_derivative_vector(particle_a, particle_b, xlist));
     FloatsList ret;
@@ -234,12 +236,12 @@ class IMPISDEXPORT Linear1DFunction : public UnivariateFunction {
     return ret;
   }
 
-  unsigned get_ndims_x() const { return 1; }
-  unsigned get_ndims_y() const { return 1; }
+  unsigned get_ndims_x() const IMP_OVERRIDE { return 1; }
+  unsigned get_ndims_y() const IMP_OVERRIDE { return 1; }
 
-  unsigned get_number_of_particles() const { return 2; }
+  unsigned get_number_of_particles() const IMP_OVERRIDE { return 2; }
 
-  bool get_particle_is_optimized(unsigned particle_no) const {
+  bool get_particle_is_optimized(unsigned particle_no) const IMP_OVERRIDE {
     switch (particle_no) {
       case 0:  // a
         return Nuisance(a_).get_nuisance_is_optimized();
@@ -250,14 +252,14 @@ class IMPISDEXPORT Linear1DFunction : public UnivariateFunction {
     }
   }
 
-  unsigned get_number_of_optimized_particles() const {
+  unsigned get_number_of_optimized_particles() const IMP_OVERRIDE {
     unsigned count = 0;
     if (Nuisance(a_).get_nuisance_is_optimized()) count++;
     if (Nuisance(b_).get_nuisance_is_optimized()) count++;
     return count;
   }
 
-  ModelObjectsTemp get_inputs() const {
+  ModelObjectsTemp get_inputs() const IMP_OVERRIDE {
     ModelObjectsTemp ret;
     ret.push_back(a_);
     ret.push_back(b_);
@@ -299,7 +301,7 @@ class IMPISDEXPORT GeneralizedGuinierPorodFunction : public UnivariateFunction {
     update();
   }
 
-  bool has_changed() const {
+  bool has_changed() const IMP_OVERRIDE {
     double tmpG = Scale(G_).get_scale();
     double tmpRg = Scale(Rg_).get_scale();
     double tmpd = Scale(d_).get_scale();
@@ -318,7 +320,7 @@ class IMPISDEXPORT GeneralizedGuinierPorodFunction : public UnivariateFunction {
     }
   }
 
-  void update() {
+  void update() IMP_OVERRIDE {
     G_val_ = Scale(G_).get_scale();
     Rg_val_ = Scale(Rg_).get_scale();
     d_val_ = Scale(d_).get_scale();
@@ -352,13 +354,13 @@ class IMPISDEXPORT GeneralizedGuinierPorodFunction : public UnivariateFunction {
         <<std::endl;*/
   }
 
-  Floats operator()(const Floats& x) const {
+  Floats operator()(const Floats& x) const IMP_OVERRIDE {
     IMP_USAGE_CHECK(x.size() == 1, "expecting a 1-D vector");
     Floats ret(1, get_value(x[0]));
     return ret;
   }
 
-  Eigen::VectorXd operator()(const FloatsList& xlist) const {
+  Eigen::VectorXd operator()(const FloatsList& xlist) const IMP_OVERRIDE {
     unsigned M = xlist.size();
     Eigen::VectorXd retlist(M);
     for (unsigned i = 0; i < M; i++) {
@@ -368,7 +370,7 @@ class IMPISDEXPORT GeneralizedGuinierPorodFunction : public UnivariateFunction {
     return retlist;
   }
 
-  FloatsList operator()(const FloatsList& xlist, bool) const {
+  FloatsList operator()(const FloatsList& xlist, bool) const IMP_OVERRIDE {
     Eigen::VectorXd vec((*this)(xlist));
     FloatsList ret;
     for (unsigned i = 0; i < xlist.size(); i++)
@@ -376,7 +378,8 @@ class IMPISDEXPORT GeneralizedGuinierPorodFunction : public UnivariateFunction {
     return ret;
   }
 
-  void add_to_derivatives(const Floats& x, DerivativeAccumulator& accum) const {
+  void add_to_derivatives(
+            const Floats& x, DerivativeAccumulator& accum) const IMP_OVERRIDE {
     double qval = x[0];
     double value = get_value(qval) - A_val_;
     double deriv;
@@ -417,7 +420,7 @@ class IMPISDEXPORT GeneralizedGuinierPorodFunction : public UnivariateFunction {
   }
 
   void add_to_particle_derivative(unsigned particle_no, double value,
-                                  DerivativeAccumulator& accum) const {
+                         DerivativeAccumulator& accum) const IMP_OVERRIDE {
     switch (particle_no) {
       case 0:
         IMP_INTERNAL_CHECK(!IMP::isnan(value), "derivative for G is nan.");
@@ -445,7 +448,7 @@ class IMPISDEXPORT GeneralizedGuinierPorodFunction : public UnivariateFunction {
   }
 
   Eigen::VectorXd get_derivative_vector(unsigned particle_no,
-                                        const FloatsList& xlist) const {
+                                const FloatsList& xlist) const IMP_OVERRIDE {
     unsigned N = xlist.size();
     Eigen::VectorXd ret(N);
     switch (particle_no) {
@@ -505,7 +508,8 @@ class IMPISDEXPORT GeneralizedGuinierPorodFunction : public UnivariateFunction {
     return ret;
   }
 
-  FloatsList get_derivative_matrix(const FloatsList& xlist, bool) const {
+  FloatsList get_derivative_matrix(
+                  const FloatsList& xlist, bool) const IMP_OVERRIDE {
     Eigen::MatrixXd mat(xlist.size(), 5);
     mat.col(0) = get_derivative_vector(0, xlist);
     mat.col(1) = get_derivative_vector(1, xlist);
@@ -522,7 +526,8 @@ class IMPISDEXPORT GeneralizedGuinierPorodFunction : public UnivariateFunction {
   }
 
   Eigen::VectorXd get_second_derivative_vector(
-      unsigned particle_a, unsigned particle_b, const FloatsList& xlist) const {
+      unsigned particle_a, unsigned particle_b,
+      const FloatsList& xlist) const IMP_OVERRIDE {
     if (particle_a >= 5) IMP_THROW("Invalid particle 1 number", ModelException);
     if (particle_b >= 5) IMP_THROW("Invalid particle 2 number", ModelException);
     unsigned N = xlist.size();
@@ -710,9 +715,9 @@ class IMPISDEXPORT GeneralizedGuinierPorodFunction : public UnivariateFunction {
     return ret;
   }
 
-  FloatsList get_second_derivative_vector(unsigned particle_a,
-                                          unsigned particle_b,
-                                          const FloatsList& xlist, bool) const {
+  FloatsList get_second_derivative_vector(
+         unsigned particle_a, unsigned particle_b,
+         const FloatsList& xlist, bool) const IMP_OVERRIDE {
     Eigen::VectorXd mat(
         get_second_derivative_vector(particle_a, particle_b, xlist));
     FloatsList ret;
@@ -724,12 +729,12 @@ class IMPISDEXPORT GeneralizedGuinierPorodFunction : public UnivariateFunction {
     return ret;
   }
 
-  unsigned get_ndims_x() const { return 1; }
-  unsigned get_ndims_y() const { return 1; }
+  unsigned get_ndims_x() const IMP_OVERRIDE { return 1; }
+  unsigned get_ndims_y() const IMP_OVERRIDE { return 1; }
 
-  unsigned get_number_of_particles() const { return 5; }
+  unsigned get_number_of_particles() const IMP_OVERRIDE { return 5; }
 
-  bool get_particle_is_optimized(unsigned particle_no) const {
+  bool get_particle_is_optimized(unsigned particle_no) const IMP_OVERRIDE {
     switch (particle_no) {
       case 0:  // G
         return Scale(G_).get_scale_is_optimized();
@@ -746,7 +751,7 @@ class IMPISDEXPORT GeneralizedGuinierPorodFunction : public UnivariateFunction {
     }
   }
 
-  unsigned get_number_of_optimized_particles() const {
+  unsigned get_number_of_optimized_particles() const IMP_OVERRIDE {
     unsigned count = 0;
     if (Scale(G_).get_scale_is_optimized()) count++;
     if (Scale(Rg_).get_scale_is_optimized()) count++;
@@ -756,7 +761,7 @@ class IMPISDEXPORT GeneralizedGuinierPorodFunction : public UnivariateFunction {
     return count;
   }
 
-  ModelObjectsTemp get_inputs() const {
+  ModelObjectsTemp get_inputs() const IMP_OVERRIDE {
     ModelObjectsTemp ret;
     ret.push_back(G_);
     ret.push_back(Rg_);
diff --git a/modules/kernel/include/Optimizer.h b/modules/kernel/include/Optimizer.h
index 182f336f4f..17e373e265 100644
--- a/modules/kernel/include/Optimizer.h
+++ b/modules/kernel/include/Optimizer.h
@@ -59,8 +59,11 @@ class IMPKERNELEXPORT Optimizer : public ModelObject {
   virtual ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE {
     return get_optimizer_state_inputs();
   }
+
   //! don't return anything here to avoid pointless dependencies
-  virtual ModelObjectsTemp do_get_outputs() const { return ModelObjectsTemp(); }
+  virtual ModelObjectsTemp do_get_outputs() const IMP_OVERRIDE {
+    return ModelObjectsTemp();
+  }
 
  public:
   Optimizer(Model *m, std::string name = "Optimizer %1%");
diff --git a/modules/kernel/include/Particle.h b/modules/kernel/include/Particle.h
index 6667ae1346..6170d80bba 100644
--- a/modules/kernel/include/Particle.h
+++ b/modules/kernel/include/Particle.h
@@ -136,7 +136,7 @@ class IMPKERNELEXPORT Particle : public ModelObject {
   ParticleIndex get_index() const;
 
 #if !defined(IMP_DOXYGEN)
-  void clear_caches();
+  void clear_caches() IMP_OVERRIDE;
 #endif
  protected:
   virtual ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE IMP_FINAL {
diff --git a/modules/kernel/include/Restraint.h b/modules/kernel/include/Restraint.h
index 821df4bba1..876466853b 100644
--- a/modules/kernel/include/Restraint.h
+++ b/modules/kernel/include/Restraint.h
@@ -291,7 +291,9 @@ class IMPKERNELEXPORT Restraint : public ModelObject {
                   ScoreAccumulator sa, const ParticleIndexes &moved_pis) const;
 
   /** No outputs. */
-  ModelObjectsTemp do_get_outputs() const { return ModelObjectsTemp(); }
+  ModelObjectsTemp do_get_outputs() const IMP_OVERRIDE {
+    return ModelObjectsTemp();
+  }
 
  private:
   ScoringFunction *create_internal_scoring_function() const;
diff --git a/modules/kernel/include/RestraintSet.h b/modules/kernel/include/RestraintSet.h
index 741ae448ee..602079755c 100644
--- a/modules/kernel/include/RestraintSet.h
+++ b/modules/kernel/include/RestraintSet.h
@@ -50,7 +50,7 @@ class IMPKERNELEXPORT RestraintSet : public Restraint {
   RestraintSet(const RestraintsTemp &rs, double weight,
                const std::string &name = "RestraintSet %1%");
 
-  double unprotected_evaluate(DerivativeAccumulator *da) const;
+  double unprotected_evaluate(DerivativeAccumulator *da) const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(RestraintSet);
   /** @name Methods to control the nested Restraint objects
@@ -72,19 +72,20 @@ class IMPKERNELEXPORT RestraintSet : public Restraint {
 
  public:
 #ifndef IMP_DOXYGEN
-  ModelObjectsTemp do_get_inputs() const;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
   ScoringFunction *create_scoring_function(
       double weight = 1.0,
-      double max = std::numeric_limits<double>::max()) const;
+      double max = std::numeric_limits<double>::max()) const IMP_OVERRIDE;
 #endif
-  double get_last_score() const;
+  double get_last_score() const IMP_OVERRIDE;
 #if !defined(IMP_DOXYGEN) && !defined(SWIG)
  protected:
-  Restraints do_create_decomposition() const;
-  Restraints do_create_current_decomposition() const;
-  void do_add_score_and_derivatives(ScoreAccumulator sa) const;
+  Restraints do_create_decomposition() const IMP_OVERRIDE;
+  Restraints do_create_current_decomposition() const IMP_OVERRIDE;
+  void do_add_score_and_derivatives(ScoreAccumulator sa) const IMP_OVERRIDE;
   void do_add_score_and_derivatives_moved(
-                  ScoreAccumulator sa, const ParticleIndexes &moved_pis) const;
+                  ScoreAccumulator sa,
+                  const ParticleIndexes &moved_pis) const IMP_OVERRIDE;
 #endif
 };
 
diff --git a/modules/kernel/include/internal/ContainerConstraint.h b/modules/kernel/include/internal/ContainerConstraint.h
index 3c566f50e4..173a096af1 100644
--- a/modules/kernel/include/internal/ContainerConstraint.h
+++ b/modules/kernel/include/internal/ContainerConstraint.h
@@ -36,7 +36,7 @@ class ContainerConstraint : public Constraint {
   void set_before_evaluate_modifier(Before *f) { f_ = f; }
 
   // only report actual interactions
-  ModelObjectsTemps do_get_interactions() const {
+  ModelObjectsTemps do_get_interactions() const IMP_OVERRIDE {
     ModelObjectsTemps ret;
     typename Container::ContainedIndexTypes ps = c_->get_range_indexes();
     for (unsigned int i = 0; i < ps.size(); ++i) {
diff --git a/modules/kernel/include/internal/ContainerRestraint.h b/modules/kernel/include/internal/ContainerRestraint.h
index 7fcbea2af0..08c7acb9fd 100644
--- a/modules/kernel/include/internal/ContainerRestraint.h
+++ b/modules/kernel/include/internal/ContainerRestraint.h
@@ -44,10 +44,10 @@ class ContainerRestraint : public Restraint {
 
   Score *get_score() const { return acc_->get_score_object(); }
 
-  Restraints do_create_decomposition() const;
-  Restraints do_create_current_decomposition() const;
+  Restraints do_create_decomposition() const IMP_OVERRIDE;
+  Restraints do_create_current_decomposition() const IMP_OVERRIDE;
 
-  IMP_IMPLEMENT(double get_last_score() const;);
+  IMP_IMPLEMENT(double get_last_score() const IMP_OVERRIDE;);
 };
 
 /** Helper to create a ContainerRestraint without specifying the types. Make
diff --git a/modules/kernel/include/internal/ContainerScoreState.h b/modules/kernel/include/internal/ContainerScoreState.h
index 187b48ba5b..d047d8144f 100644
--- a/modules/kernel/include/internal/ContainerScoreState.h
+++ b/modules/kernel/include/internal/ContainerScoreState.h
@@ -30,16 +30,16 @@ class ContainerScoreState : public ScoreState {
     return back_->do_score_state_before_evaluate();
   }
 
-  virtual void do_after_evaluate(DerivativeAccumulator *) {
+  virtual void do_after_evaluate(DerivativeAccumulator *) IMP_OVERRIDE {
     back_->do_score_state_after_evaluate();
   }
 
-  virtual ModelObjectsTemp do_get_inputs() const {
+  virtual ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE {
     IMP_CHECK_OBJECT(back_);
     return back_->get_score_state_inputs();
   }
 
-  virtual ModelObjectsTemp do_get_outputs() const {
+  virtual ModelObjectsTemp do_get_outputs() const IMP_OVERRIDE {
     IMP_CHECK_OBJECT(back_);
     return ModelObjectsTemp(1, back_);
   }
diff --git a/modules/kernel/include/internal/ListLikeContainer.h b/modules/kernel/include/internal/ListLikeContainer.h
index ed0b125bd0..852be99f37 100644
--- a/modules/kernel/include/internal/ListLikeContainer.h
+++ b/modules/kernel/include/internal/ListLikeContainer.h
@@ -64,7 +64,9 @@ class ListLikeContainer : public Base {
 
   //! apply sm->apply_indexes to data. Use parallel mode using IMP_TASK
   //! if get_number_of_threads()>=2
-  void do_apply(const typename Base::Modifier *sm) const { apply_generic(sm); }
+  void do_apply(const typename Base::Modifier *sm) const IMP_OVERRIDE {
+    apply_generic(sm);
+  }
 
   //! returns a copy of list indexes of appropriate type
   typename Base::ContainedIndexTypes get_indexes() const IMP_OVERRIDE {
diff --git a/modules/kernel/include/internal/TupleRestraint.h b/modules/kernel/include/internal/TupleRestraint.h
index 3538deddcd..777198ee58 100644
--- a/modules/kernel/include/internal/TupleRestraint.h
+++ b/modules/kernel/include/internal/TupleRestraint.h
@@ -40,7 +40,7 @@ class TupleRestraint : public Restraint {
   ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
   IMP_OBJECT_METHODS(TupleRestraint);
   ;
-  Restraints do_create_current_decomposition() const;
+  Restraints do_create_current_decomposition() const IMP_OVERRIDE;
 };
 
 template <class Score>
diff --git a/modules/kernel/include/internal/swig.h b/modules/kernel/include/internal/swig.h
index 751c14622d..2512c82c8e 100644
--- a/modules/kernel/include/internal/swig.h
+++ b/modules/kernel/include/internal/swig.h
@@ -38,7 +38,7 @@ class IMPKERNELEXPORT _ConstRestraint : public Restraint {
   _ConstRestraint(Model *m, const ParticleIndexes &pis, double v)
       : Restraint(m, "ConstRestraint%1%"), v_(v), ps_(get_particles(m, pis)) {}
   double get_value() const { return v_; }
-  Restraints do_create_decomposition() const;
+  Restraints do_create_decomposition() const IMP_OVERRIDE;
   double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const
       IMP_OVERRIDE;
   ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
diff --git a/modules/kernel/src/file.cpp b/modules/kernel/src/file.cpp
index fd28f8af31..db6f104d5c 100644
--- a/modules/kernel/src/file.cpp
+++ b/modules/kernel/src/file.cpp
@@ -33,7 +33,7 @@ struct LazyFileStorage : public internal::IOStorage<BaseStream> {
   FileStream stream_;
   LazyFileStorage(std::string name, bool append = false)
       : P(name), open_(false), append_(append) {}
-  BaseStream &get_stream() {
+  BaseStream &get_stream() IMP_OVERRIDE {
     if (!open_) {
       if (append_) {
         stream_.open(P::get_name().c_str(), std::fstream::app);
@@ -67,7 +67,7 @@ struct StreamStorage : public internal::IOStorage<BaseStream> {
   BaseStream &stream_;
   StreamStorage(BaseStream &stream, std::string name)
       : P(name), stream_(stream) {}
-  BaseStream &get_stream() { return stream_; }
+  BaseStream &get_stream() IMP_OVERRIDE { return stream_; }
 };
 
 template <class BaseStream>
@@ -77,7 +77,7 @@ struct OwnedStreamStorage : public internal::IOStorage<BaseStream> {
   PointerMember<Object> ref_;
   OwnedStreamStorage(BaseStream &stream, Object *o)
       : P("python stream"), stream_(stream), ref_(o) {}
-  BaseStream &get_stream() { return stream_; }
+  BaseStream &get_stream() IMP_OVERRIDE { return stream_; }
 };
 }
 
diff --git a/modules/kinematics/include/CompositeJoint.h b/modules/kinematics/include/CompositeJoint.h
index c28fdbbd7e..9e9fcc9468 100644
--- a/modules/kinematics/include/CompositeJoint.h
+++ b/modules/kinematics/include/CompositeJoint.h
@@ -97,7 +97,7 @@ class IMPKINEMATICSEXPORT CompositeJoint : public Joint {
 
  protected:
   //! Update the child node reference frame by applying all the inner joints
-  virtual void update_child_node_reference_frame() const;
+  virtual void update_child_node_reference_frame() const IMP_OVERRIDE;
 
   /**
     Updates all inner joints value, and the overall transformation
@@ -108,7 +108,7 @@ class IMPKINEMATICSEXPORT CompositeJoint : public Joint {
           calling this function.
   */
 
-  virtual void update_joint_from_cartesian_witnesses();
+  virtual void update_joint_from_cartesian_witnesses() IMP_OVERRIDE;
 
  private:
   Joints joints_;  // list of inner joints
diff --git a/modules/kinematics/include/FibrilSampler.h b/modules/kinematics/include/FibrilSampler.h
index a302ee9bfa..0f0f0dcaa6 100644
--- a/modules/kinematics/include/FibrilSampler.h
+++ b/modules/kinematics/include/FibrilSampler.h
@@ -36,14 +36,14 @@ class IMPKINEMATICSEXPORT FibrilSampler : public DOFsSampler {
    */
   FibrilSampler(TransformationJoints trans_joint, DihedralAngleRevoluteJoints dihedral_joints, DOFs dofs);
 
-  virtual void apply(const DOFValues& values);
+  virtual void apply(const DOFValues& values) IMP_OVERRIDE;
   virtual void apply_floats(const Floats& values);
   DihedralAngleRevoluteJoints get_dihedral_joints() { return dihedral_joints_; }
 
   TransformationJoints get_transformation_joint() { return trans_joint_; }
 
  protected:
-  virtual DOFValues do_get_sample() const;
+  virtual DOFValues do_get_sample() const IMP_OVERRIDE;
 
  private:
   //  boost::mt19937 rng_; // init random number generator
diff --git a/modules/kinematics/include/KinematicForestScoreState.h b/modules/kinematics/include/KinematicForestScoreState.h
index a613727763..36e9aea8dd 100644
--- a/modules/kinematics/include/KinematicForestScoreState.h
+++ b/modules/kinematics/include/KinematicForestScoreState.h
@@ -50,13 +50,17 @@ class IMPKINEMATICSEXPORT KinematicForestScoreState : public IMP::ScoreState {
         atoms_(atoms) {}
 
   // functions that ScoreState requires
-  void do_before_evaluate() { kf_->update_all_external_coordinates(); }
+  void do_before_evaluate() IMP_OVERRIDE {
+    kf_->update_all_external_coordinates();
+  }
 
-  void do_after_evaluate(DerivativeAccumulator *da) { IMP_UNUSED(da); }
+  void do_after_evaluate(DerivativeAccumulator *da) IMP_OVERRIDE {
+    IMP_UNUSED(da);
+  }
 
-  ModelObjectsTemp do_get_inputs() const;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 
-  ModelObjectsTemp do_get_outputs() const;
+  ModelObjectsTemp do_get_outputs() const IMP_OVERRIDE;
 
  private:
   KinematicForest *kf_;
diff --git a/modules/kinematics/include/PrismaticJoint.h b/modules/kinematics/include/PrismaticJoint.h
index 753798df2e..c03a0b8770 100644
--- a/modules/kinematics/include/PrismaticJoint.h
+++ b/modules/kinematics/include/PrismaticJoint.h
@@ -69,7 +69,7 @@ class IMPKINEMATICSEXPORT PrismaticJoint : public Joint {
      @note It is assumed that external coordinates are updated before
            calling this function.
   */
-  virtual void update_joint_from_cartesian_witnesses();
+  virtual void update_joint_from_cartesian_witnesses() IMP_OVERRIDE;
 
  private:
   IMP::core::XYZ a_;  // prismatic joint from point, associated with parent
diff --git a/modules/kinematics/include/RRT.h b/modules/kinematics/include/RRT.h
index ca98975fff..605971445c 100644
--- a/modules/kinematics/include/RRT.h
+++ b/modules/kinematics/include/RRT.h
@@ -119,7 +119,7 @@ class IMPKINEMATICSEXPORT RRT : public IMP::Sampler {
   // function required by Sampler
   // TODO: think how to save configurations in internal coords
   // to be more memory efficient
-  IMP::ConfigurationSet* do_sample() const {
+  IMP::ConfigurationSet* do_sample() const IMP_OVERRIDE {
     const_cast<RRT*>(this)->run();
     return nullptr;
   }
diff --git a/modules/kinematics/include/UniformBackboneSampler.h b/modules/kinematics/include/UniformBackboneSampler.h
index de33e395b9..7ceb04cda8 100644
--- a/modules/kinematics/include/UniformBackboneSampler.h
+++ b/modules/kinematics/include/UniformBackboneSampler.h
@@ -32,13 +32,13 @@ class IMPKINEMATICSEXPORT UniformBackboneSampler : public DOFsSampler {
    */
   UniformBackboneSampler(DihedralAngleRevoluteJoints joints, DOFs dofs);
 
-  virtual void apply(const DOFValues& values);
+  virtual void apply(const DOFValues& values) IMP_OVERRIDE;
   virtual void apply_floats(const Floats& values);
 
   DihedralAngleRevoluteJoints get_joints() { return joints_; }
 
  protected:
-  virtual DOFValues do_get_sample() const;
+  virtual DOFValues do_get_sample() const IMP_OVERRIDE;
 
  private:
   //  boost::mt19937 rng_; // init random number generator
diff --git a/modules/kinematics/include/local_planners.h b/modules/kinematics/include/local_planners.h
index 7d3cdc5a26..fd23bf590b 100644
--- a/modules/kinematics/include/local_planners.h
+++ b/modules/kinematics/include/local_planners.h
@@ -70,7 +70,7 @@ class IMPKINEMATICSEXPORT PathLocalPlanner : public LocalPlanner {
       found closest to q_rand (inclusive)
   */
   virtual std::vector<DOFValues> plan(DOFValues q_from, DOFValues q_rand,
-                                      ScoringFunction *sf);
+                                      ScoringFunction *sf) IMP_OVERRIDE;
 
  private:
   PointerMember<DirectionalDOF> d_;
diff --git a/modules/kinematics/include/revolute_joints.h b/modules/kinematics/include/revolute_joints.h
index f3d336bf44..8b7ee36aed 100644
--- a/modules/kinematics/include/revolute_joints.h
+++ b/modules/kinematics/include/revolute_joints.h
@@ -92,7 +92,7 @@ class IMPKINEMATICSEXPORT RevoluteJoint : public Joint {
      that affect update_axis_of_rotation_from_cartesian_witnesses()
      are all updated already
   */
-  virtual void update_child_node_reference_frame() const;
+  virtual void update_child_node_reference_frame() const IMP_OVERRIDE;
 
   /**
       this protected method updates the rot_axis_unit_vector_
@@ -116,7 +116,7 @@ class IMPKINEMATICSEXPORT RevoluteJoint : public Joint {
      Update the joint internal parameters based on external reference frames
      of witnesses and rigid bodies, assuming external parameters are updated
    */
-  virtual void update_joint_from_cartesian_witnesses() {
+  virtual void update_joint_from_cartesian_witnesses() IMP_OVERRIDE {
     update_axis_of_rotation_from_cartesian_witnesses();
     angle_ = get_current_angle_from_cartesian_witnesses();
     last_updated_angle_ = angle_;
@@ -200,7 +200,7 @@ class IMPKINEMATICSEXPORT DihedralAngleRevoluteJoint : public RevoluteJoint {
       using b_-c_ as the axis of rotation
       @note it is assumed b_ and c_ have update Cartesian coordinates
   */
-  virtual void update_axis_of_rotation_from_cartesian_witnesses() {
+  virtual void update_axis_of_rotation_from_cartesian_witnesses() IMP_OVERRIDE {
     using namespace IMP::algebra;
     IMP_USAGE_CHECK(
         get_distance(b_.get_coordinates(), c_.get_coordinates()) > 1e-12,
@@ -226,7 +226,8 @@ class IMPKINEMATICSEXPORT DihedralAngleRevoluteJoint : public RevoluteJoint {
       external coordinates of required Cartesian witnesses are up to
       date)
   */
-  virtual double get_current_angle_from_cartesian_witnesses() const;
+  virtual double get_current_angle_from_cartesian_witnesses()
+                             const IMP_OVERRIDE;
 
  private:
   IMP::core::XYZ a_;
@@ -265,7 +266,8 @@ class IMPKINEMATICSEXPORT BondAngleRevoluteJoint : public RevoluteJoint {
      actual current bond angle of this joint (assuming external
      coordinates of required Cartesian witnesses are up to date)
   */
-  virtual double get_current_angle_from_cartesian_witnesses() const;
+  virtual double get_current_angle_from_cartesian_witnesses()
+                                  const IMP_OVERRIDE;
 
   /**
      updates the rot_axis_unit_vector_ and rot_axis_origin_ variables
@@ -273,7 +275,7 @@ class IMPKINEMATICSEXPORT BondAngleRevoluteJoint : public RevoluteJoint {
      plane containing a_,b_,c_ as axis of rotation, in global
      coordinates
   */
-  virtual void update_axis_of_rotation_from_cartesian_witnesses() {
+  virtual void update_axis_of_rotation_from_cartesian_witnesses() IMP_OVERRIDE {
     using namespace IMP::algebra;
 
     IMP_USAGE_CHECK(
diff --git a/modules/misc/include/LowestRefinedPairScore.h b/modules/misc/include/LowestRefinedPairScore.h
index 70e9eeae4a..142ac60662 100644
--- a/modules/misc/include/LowestRefinedPairScore.h
+++ b/modules/misc/include/LowestRefinedPairScore.h
@@ -32,7 +32,7 @@ class IMPMISCEXPORT LowestRefinedPairScore : public PairScore {
   double evaluate_index(Model *m, const ParticleIndexPair &p,
                         DerivativeAccumulator *da) const IMP_OVERRIDE;
   ModelObjectsTemp do_get_inputs(
-      Model *m, const ParticleIndexes &pis) const;
+      Model *m, const ParticleIndexes &pis) const IMP_OVERRIDE;
   IMP_PAIR_SCORE_METHODS(LowestRefinedPairScore);
   IMP_OBJECT_METHODS(LowestRefinedPairScore);
   ;
diff --git a/modules/npc/include/ProteinLocalizationRestraint.h b/modules/npc/include/ProteinLocalizationRestraint.h
index 4f3a0b08a7..889fc4dfe0 100644
--- a/modules/npc/include/ProteinLocalizationRestraint.h
+++ b/modules/npc/include/ProteinLocalizationRestraint.h
@@ -42,8 +42,9 @@ class IMPNPCEXPORT ZAxialPositionRestraint : public Restraint
   void set_particles(const ParticlesTemp &ps);
 #endif
 
-  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
-  ModelObjectsTemp do_get_inputs() const;
+  double unprotected_evaluate(
+                  IMP::DerivativeAccumulator *accum) const IMP_OVERRIDE;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(ZAxialPositionRestraint);;
 };
@@ -70,8 +71,9 @@ class IMPNPCEXPORT ZAxialPositionLowerRestraint : public Restraint
   void set_particles(const ParticlesTemp &ps);
 #endif
 
-  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
-  ModelObjectsTemp do_get_inputs() const;
+  double unprotected_evaluate(
+                  IMP::DerivativeAccumulator *accum) const IMP_OVERRIDE;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(ZAxialPositionLowerRestraint);;
 };
@@ -98,8 +100,9 @@ class IMPNPCEXPORT ZAxialPositionUpperRestraint : public Restraint
   void set_particles(const ParticlesTemp &ps);
 #endif
 
-  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
-  ModelObjectsTemp do_get_inputs() const;
+  double unprotected_evaluate(
+                  IMP::DerivativeAccumulator *accum) const IMP_OVERRIDE;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(ZAxialPositionUpperRestraint);;
 };
@@ -128,8 +131,9 @@ class IMPNPCEXPORT YAxialPositionRestraint : public Restraint
   void set_particles(const ParticlesTemp &ps);
 #endif
 
-  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
-  ModelObjectsTemp do_get_inputs() const;
+  double unprotected_evaluate(
+                  IMP::DerivativeAccumulator *accum) const IMP_OVERRIDE;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(YAxialPositionRestraint);;
 };
@@ -156,8 +160,9 @@ class IMPNPCEXPORT YAxialPositionLowerRestraint : public Restraint
   void set_particles(const ParticlesTemp &ps);
 #endif
 
-  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
-  ModelObjectsTemp do_get_inputs() const;
+  double unprotected_evaluate(
+                  IMP::DerivativeAccumulator *accum) const IMP_OVERRIDE;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(YAxialPositionLowerRestraint);;
 };
@@ -184,8 +189,9 @@ class IMPNPCEXPORT YAxialPositionUpperRestraint : public Restraint
   void set_particles(const ParticlesTemp &ps);
 #endif
 
-  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
-  ModelObjectsTemp do_get_inputs() const;
+  double unprotected_evaluate(
+                  IMP::DerivativeAccumulator *accum) const IMP_OVERRIDE;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(YAxialPositionUpperRestraint);;
 };
@@ -214,8 +220,9 @@ class IMPNPCEXPORT XYRadialPositionRestraint : public Restraint
   void set_particles(const ParticlesTemp &ps);
 #endif
 
-  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
-  ModelObjectsTemp do_get_inputs() const;
+  double unprotected_evaluate(
+                  IMP::DerivativeAccumulator *accum) const IMP_OVERRIDE;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(XYRadialPositionRestraint);;
 };
@@ -242,8 +249,9 @@ class IMPNPCEXPORT XYRadialPositionLowerRestraint : public Restraint
   void set_particles(const ParticlesTemp &ps);
 #endif
 
-  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
-  ModelObjectsTemp do_get_inputs() const;
+  double unprotected_evaluate(
+                  IMP::DerivativeAccumulator *accum) const IMP_OVERRIDE;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(XYRadialPositionLowerRestraint);;
 };
@@ -270,8 +278,9 @@ class IMPNPCEXPORT XYRadialPositionUpperRestraint : public Restraint
   void set_particles(const ParticlesTemp &ps);
 #endif
 
-  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
-  ModelObjectsTemp do_get_inputs() const;
+  double unprotected_evaluate(
+                  IMP::DerivativeAccumulator *accum) const IMP_OVERRIDE;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(XYRadialPositionUpperRestraint);;
 };
@@ -299,8 +308,9 @@ class IMPNPCEXPORT ProteinContactRestraint : public Restraint
   void set_particles(const ParticlesTemp &ps);
 #endif
 
-  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
-  ModelObjectsTemp do_get_inputs() const;
+  double unprotected_evaluate(
+                  IMP::DerivativeAccumulator *accum) const IMP_OVERRIDE;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(ProteinContactRestraint);;
 };
@@ -327,8 +337,9 @@ class IMPNPCEXPORT ProteinChainRestraint : public Restraint
   void set_particles(const ParticlesTemp &ps);
 #endif
 
-  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
-  ModelObjectsTemp do_get_inputs() const;
+  double unprotected_evaluate(
+                  IMP::DerivativeAccumulator *accum) const IMP_OVERRIDE;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(ProteinChainRestraint);;
 };
@@ -357,8 +368,9 @@ class IMPNPCEXPORT MembraneSurfaceLocationRestraint : public Restraint
   void set_particles(const ParticlesTemp &ps);
 #endif
 
-  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
-  ModelObjectsTemp do_get_inputs() const;
+  double unprotected_evaluate(
+                  IMP::DerivativeAccumulator *accum) const IMP_OVERRIDE;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(MembraneSurfaceLocationRestraint);;
 };
@@ -392,8 +404,9 @@ class IMPNPCEXPORT MembraneSurfaceLocationConditionalRestraint : public Restrain
   void set_particles2(const ParticlesTemp &ps);
 #endif
 
-  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
-  ModelObjectsTemp do_get_inputs() const;
+  double unprotected_evaluate(
+                  IMP::DerivativeAccumulator *accum) const IMP_OVERRIDE;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(MembraneSurfaceLocationConditionalRestraint);;
 };
@@ -422,8 +435,9 @@ class IMPNPCEXPORT MembraneExclusionRestraint : public Restraint
   void set_particles(const ParticlesTemp &ps);
 #endif
 
-  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
-  ModelObjectsTemp do_get_inputs() const;
+  double unprotected_evaluate(
+                  IMP::DerivativeAccumulator *accum) const IMP_OVERRIDE;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(MembraneExclusionRestraint);;
 };
@@ -453,8 +467,9 @@ class IMPNPCEXPORT PoreSideVolumeLocationRestraint : public Restraint
   void set_particles(const ParticlesTemp &ps);
 #endif
 
-  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
-  ModelObjectsTemp do_get_inputs() const;
+  double unprotected_evaluate(
+                  IMP::DerivativeAccumulator *accum) const IMP_OVERRIDE;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(PoreSideVolumeLocationRestraint);;
 };
@@ -484,8 +499,9 @@ class IMPNPCEXPORT PerinuclearVolumeLocationRestraint : public Restraint
   void set_particles(const ParticlesTemp &ps);
 #endif
 
-  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
-  ModelObjectsTemp do_get_inputs() const;
+  double unprotected_evaluate(
+                  IMP::DerivativeAccumulator *accum) const IMP_OVERRIDE;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(PerinuclearVolumeLocationRestraint);;
 };
@@ -513,8 +529,9 @@ class IMPNPCEXPORT AssemblySymmetryByDistanceRestraint : public Restraint
   void set_particles(const ParticlesTemp &ps);
 #endif
 
-  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
-  ModelObjectsTemp do_get_inputs() const;
+  double unprotected_evaluate(
+                  IMP::DerivativeAccumulator *accum) const IMP_OVERRIDE;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(AssemblySymmetryByDistanceRestraint);;
 };
@@ -543,8 +560,9 @@ class IMPNPCEXPORT AssemblySymmetryByDihedralRestraint
   void set_particles(const ParticlesTemp &ps);
 #endif
 
-  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
-  ModelObjectsTemp do_get_inputs() const;
+  double unprotected_evaluate(
+                  IMP::DerivativeAccumulator *accum) const IMP_OVERRIDE;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(AssemblySymmetryByDihedralRestraint);;
 };
@@ -571,8 +589,9 @@ class IMPNPCEXPORT ProteinProximityRestraint
   void set_particles(const ParticlesTemp &ps);
 #endif
 
-  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
-  ModelObjectsTemp do_get_inputs() const;
+  double unprotected_evaluate(
+                  IMP::DerivativeAccumulator *accum) const IMP_OVERRIDE;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(ProteinProximityRestraint);;
 };
diff --git a/modules/statistics/include/internal/KMCentersNodeLeaf.h b/modules/statistics/include/internal/KMCentersNodeLeaf.h
index 37ece477df..01ea021338 100644
--- a/modules/statistics/include/internal/KMCentersNodeLeaf.h
+++ b/modules/statistics/include/internal/KMCentersNodeLeaf.h
@@ -53,16 +53,16 @@ class IMPSTATISTICSEXPORT KMCentersNodeLeaf : public KMCentersNode {
        the node. The sum of squares is the sum of dot products of each
        point with itself.
   */
-  void compute_sums();
+  void compute_sums() IMP_OVERRIDE;
   //! Compute neighbors for centers
   void get_neighbors(const Ints &cands, KMPointArray *sums, KMPoint *sum_sqs,
-                     Ints *weights);
+                     Ints *weights) IMP_OVERRIDE;
   //! Get assignments for leaf node
-  void get_assignments(const Ints &cands, Ints &close_center);
+  void get_assignments(const Ints &cands, Ints &close_center) IMP_OVERRIDE;
 
   //! Sample a center point c
-  KMPoint sample_center();
-  void show(std::ostream &out = std::cout) const;
+  KMPoint sample_center() IMP_OVERRIDE;
+  void show(std::ostream &out = std::cout) const IMP_OVERRIDE;
 
  protected:
   Ints data_ps_;  // the indexes of data points
diff --git a/modules/statistics/include/internal/KMCentersNodeSplit.h b/modules/statistics/include/internal/KMCentersNodeSplit.h
index ee43f287ee..a692de7cd7 100644
--- a/modules/statistics/include/internal/KMCentersNodeSplit.h
+++ b/modules/statistics/include/internal/KMCentersNodeSplit.h
@@ -52,11 +52,11 @@ class IMPSTATISTICSEXPORT KMCentersNodeSplit : public KMCentersNode {
       The sum on a specific dimension is the sum of the sums of the children
       on that dimension.
    */
-  void compute_sums();
+  void compute_sums() IMP_OVERRIDE;
   //! Compute neighbors for centers
   void get_neighbors(const Ints &cands, KMPointArray *sums, KMPoint *sum_sqs,
-                     Ints *weights);
-  void get_assignments(const Ints &cands, Ints &close_center);
+                     Ints *weights) IMP_OVERRIDE;
+  void get_assignments(const Ints &cands, Ints &close_center) IMP_OVERRIDE;
   /** Let m denote the number of data points
       descended from this node.  Then with probability 1/(2m-1), this cell is
       chosen.  Otherwise, let mL and mR denote the number of points associated
@@ -71,10 +71,10 @@ class IMPSTATISTICSEXPORT KMCentersNodeSplit : public KMCentersNode {
       sampled with probability 1/(2m-1), and the subtrees should be sampled
       with the given probabilities.
     */
-  KMPoint sample_center();
+  KMPoint sample_center() IMP_OVERRIDE;
 
   //! Print node
-  void show(std::ostream &out = std::cout) const;
+  void show(std::ostream &out = std::cout) const IMP_OVERRIDE;
 
  protected:
   int cut_dim_;                 // dim orthogonal to cutting plane
diff --git a/modules/statistics/include/internal/KMFilterCenters.h b/modules/statistics/include/internal/KMFilterCenters.h
index 15feec5249..36fb1cbf58 100644
--- a/modules/statistics/include/internal/KMFilterCenters.h
+++ b/modules/statistics/include/internal/KMFilterCenters.h
@@ -78,7 +78,7 @@ class IMPSTATISTICSEXPORT KMFilterCenters : public KMCenters {
 
   //! Generate random centers
   virtual void generate_random_centers(int k);
-  void show(std::ostream &out = std::cout) const;
+  void show(std::ostream &out = std::cout) const IMP_OVERRIDE;
   //!  move centers to cluster centroids
   /** Moves each center point to the centroid of its associated cluster.
       We call compute_distortion() if necessary to compute the weights
@@ -204,7 +204,7 @@ class IMPSTATISTICSEXPORT KMFilterCentersResults : public KMCenters {
   //! Get the assignment of points to centers
   const Ints *get_assignments() const { return &close_center_; }
 
-  void show(std::ostream &out = std::cout) const {
+  void show(std::ostream &out = std::cout) const IMP_OVERRIDE {
     for (int j = 0; j < get_number_of_centers(); j++) {
       out << "    " << std::setw(4) << j << "\t";
       print_point(*((*centers_)[j]), out);
diff --git a/modules/statistics/include/internal/KMLocalSearchLloyd.h b/modules/statistics/include/internal/KMLocalSearchLloyd.h
index c6e0b12942..839356710b 100644
--- a/modules/statistics/include/internal/KMLocalSearchLloyd.h
+++ b/modules/statistics/include/internal/KMLocalSearchLloyd.h
@@ -41,31 +41,31 @@ class IMPSTATISTICSEXPORT KMLocalSearchLloyd : public KMLocalSearch {
   double get_accumulated_rdl() {
     return (init_trail_dist_ - curr_->get_distortion()) / init_trail_dist_;
   }
-  void log_stage(std::ostream &out = std::cout);
+  void log_stage(std::ostream &out = std::cout) IMP_OVERRIDE;
   void log_run() {
     IMP_LOG_VERBOSE("<Generating new random centers>" << std::endl);
   }
   //! Do base class resetting. Initialize is_new_phase to false and save
   //! the initial run distortion.
-  virtual void reset();
+  virtual void reset() IMP_OVERRIDE;
   //! Do base class processing.  If there has been an improvement in distortion,
   //! save the current solution.
-  void end_stage();
+  void end_stage() IMP_OVERRIDE;
   //! Checks if the run is done
   /** If the number of stages exceeds the maximum stages (total or per run),
   then we are done.  If this is the first stage of the run, then we are not
   done, and we do beginning of run processing. Otherwise, if the relative
   distortion loss (RDL) is greater than minimum val then we are done (success).
   */
-  virtual bool is_run_done();
+  virtual bool is_run_done() IMP_OVERRIDE;
   //! End the run
   /** If the accumulated RDL is smaller that the minimum predefined accumulated
   RDL then the run has ended unsuccessfully and we request the start of a new
   run. Otherwise the run has ended successfully, and we start a new run by
   saving the current run distortion.
   */
-  void end_run();
-  void preform_stage();
+  void end_run() IMP_OVERRIDE;
+  void preform_stage() IMP_OVERRIDE;
   double init_trail_dist_;  // initial distortion for a trail
   bool is_new_trail_;
 };
diff --git a/modules/statistics/include/internal/VQClustering.h b/modules/statistics/include/internal/VQClustering.h
index 986b7909a6..4b62ab64fb 100644
--- a/modules/statistics/include/internal/VQClustering.h
+++ b/modules/statistics/include/internal/VQClustering.h
@@ -62,7 +62,8 @@ class IMPSTATISTICSEXPORT VQClustering : public ClusteringEngine {
 
   void run(DataPoints *starting_centers = nullptr);
 
-  bool is_part_of_cluster(int data_point_ind, int cluster_ind) const {
+  bool is_part_of_cluster(int data_point_ind,
+                          int cluster_ind) const IMP_OVERRIDE {
     return (get_cluster_assignment(data_point_ind) == cluster_ind);
   }
 
@@ -75,12 +76,12 @@ class IMPSTATISTICSEXPORT VQClustering : public ClusteringEngine {
     return assignment_[data_point_ind];
   }
 
-  Array1DD get_center(int center_ind) const {
+  Array1DD get_center(int center_ind) const IMP_OVERRIDE {
     IMP_USAGE_CHECK(is_set_, " the clusters have not been assigned "
                                  << std::endl);
     return centers_[center_ind];
   }
-  int get_number_of_clusters() const { return k_; }
+  int get_number_of_clusters() const IMP_OVERRIDE { return k_; }
   void set_random_offset(double o) { par_.random_offset_ = o; }
   const DataPoints *get_full_data() const { return full_data_; }
   void set_fast_clustering();
diff --git a/tools/build/container_templates/container/ClassnameContainerSet.h b/tools/build/container_templates/container/ClassnameContainerSet.h
index acecb53fbb..f6e5a3f55d 100644
--- a/tools/build/container_templates/container/ClassnameContainerSet.h
+++ b/tools/build/container_templates/container/ClassnameContainerSet.h
@@ -38,14 +38,14 @@ class IMPCONTAINEREXPORT ClassnameContainerSet : public ClassnameContainer {
                         std::string name = "ClassnameContainerSet %1%");
 
   /** \brief apply modifier sm to all classname containers */
-  IMP_IMPLEMENT(void do_apply(const ClassnameModifier *sm) const);
+  IMP_IMPLEMENT(void do_apply(const ClassnameModifier *sm) const IMP_OVERRIDE);
 
   template <class M>
   void apply_generic(const M *m) const {
     apply(m);
   }
 
-  ParticleIndexes get_all_possible_indexes() const;
+  ParticleIndexes get_all_possible_indexes() const IMP_OVERRIDE;
   IMP_OBJECT_METHODS(ClassnameContainerSet);
 
   /** @name Methods to control the nested container
@@ -65,9 +65,9 @@ class IMPCONTAINEREXPORT ClassnameContainerSet : public ClassnameContainer {
 /**@}*/
 
 #ifndef IMP_DOXYGEN
-  PLURALINDEXTYPE get_indexes() const;
-  PLURALINDEXTYPE get_range_indexes() const;
-  ModelObjectsTemp do_get_inputs() const;
+  PLURALINDEXTYPE get_indexes() const IMP_OVERRIDE;
+  PLURALINDEXTYPE get_range_indexes() const IMP_OVERRIDE;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 #endif
 
  protected:
diff --git a/tools/build/container_templates/container/PredicateClassnamesRestraint.h b/tools/build/container_templates/container/PredicateClassnamesRestraint.h
index 83ed48655f..0af517bb92 100644
--- a/tools/build/container_templates/container/PredicateClassnamesRestraint.h
+++ b/tools/build/container_templates/container/PredicateClassnamesRestraint.h
@@ -118,7 +118,7 @@ class IMPCONTAINEREXPORT PredicateClassnamesRestraint : public Restraint {
     get_score_for_predicate(int predicate) const;
 
 
-  Restraints do_create_current_decomposition() const;
+  Restraints do_create_current_decomposition() const IMP_OVERRIDE;
 };
 
 
diff --git a/tools/build/container_templates/kernel/classname_macros.h b/tools/build/container_templates/kernel/classname_macros.h
index 9d5d7b3386..fca258921c 100644
--- a/tools/build/container_templates/kernel/classname_macros.h
+++ b/tools/build/container_templates/kernel/classname_macros.h
@@ -30,7 +30,8 @@
   }                                                                            \
   double evaluate_if_good_indexes(                                             \
       Model *m, const PLURALINDEXTYPE &p, DerivativeAccumulator *da,           \
-      double max, unsigned int lower_bound, unsigned int upper_bound) const {  \
+      double max, unsigned int lower_bound,                                    \
+      unsigned int upper_bound) const IMP_OVERRIDE {                           \
     double ret = 0;                                                            \
     for (unsigned int i = lower_bound; i < upper_bound; ++i) {                 \
       ret += evaluate_if_good_index(m, p[i], da, max - ret);                   \
@@ -52,7 +53,7 @@
     }                                                                          \
     return ret;                                                                \
   }                                                                            \
-  Ints get_value_index(Model *m, const PLURALINDEXTYPE &o) const {             \
+  Ints get_value_index(Model *m, const PLURALINDEXTYPE &o) const IMP_OVERRIDE {\
     Ints ret(o.size());                                                        \
     for (unsigned int i = 0; i < o.size(); ++i) {                              \
       ret[i] += Name::get_value_index(m, o[i]);                                \
@@ -111,6 +112,7 @@
     IMP::ClassnameContainer::do_apply()
 */
 #define IMP_CLASSNAME_CONTAINER_METHODS(Name) \
-  void do_apply(const ClassnameModifier *sm) const { apply_generic(sm); }
+  void do_apply(const ClassnameModifier *sm) const IMP_OVERRIDE { \
+    apply_generic(sm); }
 
 #endif /* IMPKERNEL_CLASSNAME_MACROS_H */

From f5c4d2134cbe4603c2ca2bd82951c15d390725bd Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 18 Aug 2021 16:47:38 -0700
Subject: [PATCH 148/250] Squashed 'modules/rmf/dependency/RMF/' changes from
 9ad4661cb4..f18213a65c

f18213a65c Add missing RMF_OVERRIDE annotation
f3e2a095a4 Warn about missing RMF_OVERRIDE

git-subtree-dir: modules/rmf/dependency/RMF
git-subtree-split: f18213a65cee5112b4ef7b730093286605499ca0
---
 .../dependency/RMF/include/RMF/compiler_macros.h | 16 ++++++++++++++--
 .../rmf/dependency/RMF/include/RMF/exceptions.h  |  2 +-
 2 files changed, 15 insertions(+), 3 deletions(-)

diff --git a/modules/rmf/dependency/RMF/include/RMF/compiler_macros.h b/modules/rmf/dependency/RMF/include/RMF/compiler_macros.h
index ac45c9d627..64ba32ad70 100644
--- a/modules/rmf/dependency/RMF/include/RMF/compiler_macros.h
+++ b/modules/rmf/dependency/RMF/include/RMF/compiler_macros.h
@@ -159,6 +159,18 @@
 #define RMF_GCC_PROTOTYPES
 #endif
 
+// Warn about missing RMF_OVERRIDE on virtual methods if gcc is new enough
+#if __GNUC__ > 5 || (__GNUC__ == 5 && __GNUC_MINOR__ >= 1)
+#ifdef RMF_SWIG_WRAPPER
+#define RMF_GCC_OVERRIDE
+#else
+#define RMF_GCC_OVERRIDE \
+  RMF_GCC_PRAGMA(diagnostic warning "-Wsuggest-override")
+#endif
+#else
+#define RMF_GCC_OVERRIDE
+#endif
+
 #define RMF_COMPILER_WARNINGS                                   \
   RMF_GCC_PRAGMA(diagnostic warning "-Wall")                    \
       RMF_GCC_PRAGMA(diagnostic warning "-Wextra")              \
@@ -166,8 +178,8 @@
       RMF_GCC_PRAGMA(diagnostic warning "-Wcast-align")         \
       RMF_GCC_PRAGMA(diagnostic warning "-Woverloaded-virtual") \
       RMF_GCC_PRAGMA(diagnostic ignored "-Wconversion")         \
-      RMF_GCC_PRAGMA(diagnostic warning                         \
-                     "-Wundef") RMF_GCC_PROTOTYPES RMF_GCC_CXX0X_COMPAT
+      RMF_GCC_PRAGMA(diagnostic warning "-Wundef")              \
+      RMF_GCC_PROTOTYPES RMF_GCC_CXX0X_COMPAT RMF_GCC_OVERRIDE
 
 #elif defined(_MSC_VER)
 #define RMF_COMPILER_WARNINGS                                           \
diff --git a/modules/rmf/dependency/RMF/include/RMF/exceptions.h b/modules/rmf/dependency/RMF/include/RMF/exceptions.h
index 2586eac314..62231460ad 100644
--- a/modules/rmf/dependency/RMF/include/RMF/exceptions.h
+++ b/modules/rmf/dependency/RMF/include/RMF/exceptions.h
@@ -31,7 +31,7 @@ class RMFEXPORT Exception : public virtual std::exception,
  public:
   RMF_CXX11_DEFAULT_COPY_CONSTRUCTOR(Exception);
   Exception();
-  const char* what() const RMF_NOEXCEPT;
+  const char* what() const RMF_NOEXCEPT RMF_OVERRIDE;
   virtual ~Exception() RMF_NOEXCEPT;
 };
 

From b8761eb4704336f8023c3d29914116ddb1f6a012 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 18 Aug 2021 17:41:20 -0700
Subject: [PATCH 149/250] Add more missing IMP_OVERRIDE annotations

---
 modules/domino/include/particle_states.h      | 13 +++--
 modules/domino/src/analysis.cpp               |  6 +-
 modules/domino/src/particle_states.cpp        |  4 +-
 modules/domino/src/subset_filters.cpp         |  6 +-
 modules/em2d/include/PCAFitRestraint.h        |  5 +-
 .../em2d/include/SpiderImageReaderWriter.h    | 15 ++---
 modules/em2d/include/TIFFImageReaderWriter.h  | 13 +++--
 modules/em2d/include/scores2D.h               |  6 +-
 modules/example/include/ExampleRestraint.h    |  2 +-
 modules/kmeans/include/internal/KCtree.h      | 20 +++----
 .../kmeans/include/internal/KMfilterCenters.h |  2 +-
 modules/kmeans/include/internal/KMlocal.h     | 58 +++++++++----------
 .../include/SAXSMultiStateModelScore.h        | 19 +++---
 .../include/ComplementarityRestraint.h        |  2 +-
 modules/multifit/include/DensityDataPoints.h  |  2 +-
 .../src/internal/GeometricComplementarity.cpp |  2 +-
 modules/npctransport                          |  2 +-
 modules/rmf/include/HierarchySaveLink.h       |  2 +-
 modules/rmf/include/simple_links.h            |  4 +-
 modules/rmf/src/geometry_io.cpp               | 37 +++++++-----
 modules/rmf/src/particle_io.cpp               | 10 ++--
 modules/rmf/src/restraint_io.cpp              | 23 ++++----
 22 files changed, 138 insertions(+), 115 deletions(-)

diff --git a/modules/domino/include/particle_states.h b/modules/domino/include/particle_states.h
index 7a473a0012..3eef942a60 100644
--- a/modules/domino/include/particle_states.h
+++ b/modules/domino/include/particle_states.h
@@ -147,11 +147,12 @@ class IMPDOMINOEXPORT XYZStates : public ParticleStates {
     IMP_USAGE_CHECK(i < states_.size(), "Out of range");
     return states_[i];
   }
-  algebra::VectorKD get_embedding(unsigned int i) const {
+  algebra::VectorKD get_embedding(unsigned int i) const IMP_OVERRIDE {
     IMP_USAGE_CHECK(i < states_.size(), "Out of range");
     return states_[i];
   }
-  unsigned int get_nearest_state(const algebra::VectorKD &v) const {
+  unsigned int get_nearest_state(
+                 const algebra::VectorKD &v) const IMP_OVERRIDE {
     return nn_->get_nearest_neighbors(v, 1)[0];
   }
   virtual unsigned int get_number_of_particle_states() const IMP_OVERRIDE;
@@ -174,8 +175,8 @@ class IMPDOMINOEXPORT RigidBodyStates : public ParticleStates {
     IMP_USAGE_CHECK(i < states_.size(), "Out of range");
     return states_[i];
   }
-  algebra::VectorKD get_embedding(unsigned int i) const;
-  unsigned int get_nearest_state(const algebra::VectorKD &v) const;
+  algebra::VectorKD get_embedding(unsigned int i) const IMP_OVERRIDE;
+  unsigned int get_nearest_state(const algebra::VectorKD &v) const IMP_OVERRIDE;
   virtual unsigned int get_number_of_particle_states() const IMP_OVERRIDE;
   virtual void load_particle_state(unsigned int, Particle *) const
       IMP_OVERRIDE;
@@ -203,8 +204,8 @@ class IMPDOMINOEXPORT NestedRigidBodyStates : public ParticleStates {
     IMP_USAGE_CHECK(i < states_.size(), "Out of range");
     return states_[i];
   }
-  algebra::VectorKD get_embedding(unsigned int i) const;
-  unsigned int get_nearest_state(const algebra::VectorKD &v) const;
+  algebra::VectorKD get_embedding(unsigned int i) const IMP_OVERRIDE;
+  unsigned int get_nearest_state(const algebra::VectorKD &v) const IMP_OVERRIDE;
   virtual unsigned int get_number_of_particle_states() const IMP_OVERRIDE;
   virtual void load_particle_state(unsigned int, Particle *) const
       IMP_OVERRIDE;
diff --git a/modules/domino/src/analysis.cpp b/modules/domino/src/analysis.cpp
index 0a1f715d68..d22188429c 100644
--- a/modules/domino/src/analysis.cpp
+++ b/modules/domino/src/analysis.cpp
@@ -25,15 +25,15 @@ class ParticleStatesEmbedding : public statistics::Embedding {
   ParticleStatesEmbedding(Particle *p, ParticleStates *ps,
                           const Ints &allowed, std::string name)
       : Embedding(name), p_(p), ps_(ps), allowed_(allowed) {}
-  algebra::VectorKD get_point(unsigned int i) const;
-  algebra::VectorKDs get_points() const {
+  algebra::VectorKD get_point(unsigned int i) const IMP_OVERRIDE;
+  algebra::VectorKDs get_points() const IMP_OVERRIDE {
     algebra::VectorKDs ret(get_number_of_items());
     for (unsigned int i = 0; i < ret.size(); ++i) {
       ret[i] = ParticleStatesEmbedding::get_point(i);
     }
     return ret;
   }
-  unsigned int get_number_of_items() const;
+  unsigned int get_number_of_items() const IMP_OVERRIDE;
   IMP_OBJECT_METHODS(ParticleStatesEmbedding);
 };
 
diff --git a/modules/domino/src/particle_states.cpp b/modules/domino/src/particle_states.cpp
index 041670e568..e2284bbaeb 100644
--- a/modules/domino/src/particle_states.cpp
+++ b/modules/domino/src/particle_states.cpp
@@ -137,8 +137,8 @@ class DummyConstraint : public Constraint {
       : Constraint(in->get_model(), "DummyConstraint%1%"), in_(in), out_(out) {}
   virtual void do_update_attributes() IMP_OVERRIDE;
   virtual void do_update_derivatives(DerivativeAccumulator *da) IMP_OVERRIDE;
-  virtual ModelObjectsTemp do_get_inputs() const;
-  virtual ModelObjectsTemp do_get_outputs() const;
+  virtual ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
+  virtual ModelObjectsTemp do_get_outputs() const IMP_OVERRIDE;
   IMP_OBJECT_METHODS(DummyConstraint);
 };
 void DummyConstraint::do_update_attributes() {}
diff --git a/modules/domino/src/subset_filters.cpp b/modules/domino/src/subset_filters.cpp
index c224fe7780..c872689e0b 100644
--- a/modules/domino/src/subset_filters.cpp
+++ b/modules/domino/src/subset_filters.cpp
@@ -144,7 +144,7 @@ class DisjointSetsSubsetFilter : public SubsetFilter {
     }
   }
   IMP_OBJECT_METHODS(DisjointSetsSubsetFilter);
-  bool get_is_ok(const Assignment &state) const {
+  bool get_is_ok(const Assignment &state) const IMP_OVERRIDE {
     IMP_OBJECT_LOG;
     set_was_used(true);
     Filter f;
@@ -153,7 +153,7 @@ class DisjointSetsSubsetFilter : public SubsetFilter {
     }
     return true;
   }
-  int get_next_state(int pos, const Assignment &state) const {
+  int get_next_state(int pos, const Assignment &state) const IMP_OVERRIDE {
     for (unsigned int i = 0; i < sets_.size(); ++i) {
       for (unsigned int j = 0; j < sets_[i].size(); ++j) {
         if (sets_[i][j] == pos) {
@@ -473,7 +473,7 @@ class ListSubsetFilter : public SubsetFilter {
  public:
   ListSubsetFilter(const ListSubsetFilterTable *ka, const Ints indexes)
       : SubsetFilter("List score filter"), keepalive_(ka), indexes_(indexes) {}
-  int get_next_state(int pos, const Assignment &state) const;
+  int get_next_state(int pos, const Assignment &state) const IMP_OVERRIDE;
   virtual bool get_is_ok(const IMP::domino::Assignment &assignment) const
       IMP_OVERRIDE;
   IMP_OBJECT_METHODS(ListSubsetFilter);
diff --git a/modules/em2d/include/PCAFitRestraint.h b/modules/em2d/include/PCAFitRestraint.h
index 1be76236f9..d42531be02 100644
--- a/modules/em2d/include/PCAFitRestraint.h
+++ b/modules/em2d/include/PCAFitRestraint.h
@@ -52,7 +52,8 @@ class IMPEM2DEXPORT PCAFitRestraint : public IMP::Restraint {
                   bool reuse_direction = false,
                   unsigned int n_components = 1);
 
-  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
+  double unprotected_evaluate(
+                 IMP::DerivativeAccumulator *accum) const IMP_OVERRIDE;
 
   unsigned int get_projection_number() const { return projection_number_; }
 
@@ -85,7 +86,7 @@ class IMPEM2DEXPORT PCAFitRestraint : public IMP::Restraint {
   //! \return Information for writing to RMF files
   RestraintInfo *get_dynamic_info() const IMP_OVERRIDE;
 
-  IMP::ModelObjectsTemp do_get_inputs() const { return ps_; }
+  IMP::ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE { return ps_; }
   IMP_OBJECT_METHODS(PCAFitRestraint);
 
  private:
diff --git a/modules/em2d/include/SpiderImageReaderWriter.h b/modules/em2d/include/SpiderImageReaderWriter.h
index 26616b96a6..39ef27bb21 100644
--- a/modules/em2d/include/SpiderImageReaderWriter.h
+++ b/modules/em2d/include/SpiderImageReaderWriter.h
@@ -65,19 +65,20 @@ class SpiderImageReaderWriter : public ImageReaderWriter {
   }
 
   void read(const String &filename, em::ImageHeader &header,
-            cv::Mat &data) const {
+            cv::Mat &data) const IMP_OVERRIDE {
     this->read_from_floats(filename, header, data);
   }
 
   void write(const String &filename, em::ImageHeader &header,
-             const cv::Mat &data) const {
+             const cv::Mat &data) const IMP_OVERRIDE {
     this->write_to_floats(filename, header, data);
   }
 
-  void read_from_ints(const String &, em::ImageHeader &, cv::Mat &) const {}
+  void read_from_ints(const String &, em::ImageHeader &,
+                      cv::Mat &) const IMP_OVERRIDE {}
 
-  void write_to_ints(const String &, em::ImageHeader &, const cv::Mat &) const {
-  }
+  void write_to_ints(const String &, em::ImageHeader &,
+                     const cv::Mat &) const IMP_OVERRIDE {}
 
   //! Reads an image file in Spider format and stores the content
   //! int the header and data parameters
@@ -87,7 +88,7 @@ class SpiderImageReaderWriter : public ImageReaderWriter {
     \param[in] data a matrix to store the grid of data of the image
   */
   void read_from_floats(const String &filename, em::ImageHeader &header,
-                        cv::Mat &data) const {
+                        cv::Mat &data) const IMP_OVERRIDE {
     IMP_LOG_VERBOSE("reading with SpiderImageReaderWriter" << std::endl);
     std::ifstream in;
     in.open(filename.c_str(), std::ios::in | std::ios::binary);
@@ -129,7 +130,7 @@ class SpiderImageReaderWriter : public ImageReaderWriter {
    *  \param[in] data a matrix with the grid of data of the image
    */
   void write_to_floats(const String &filename, em::ImageHeader &header,
-                       const cv::Mat &data) const {
+                       const cv::Mat &data) const IMP_OVERRIDE {
     std::ofstream out;
     out.open(filename.c_str(), std::ios::out | std::ios::binary);
     //! The image header is already in Spider format, just write it
diff --git a/modules/em2d/include/TIFFImageReaderWriter.h b/modules/em2d/include/TIFFImageReaderWriter.h
index 11474e9a10..e5e82c0d3d 100644
--- a/modules/em2d/include/TIFFImageReaderWriter.h
+++ b/modules/em2d/include/TIFFImageReaderWriter.h
@@ -22,19 +22,20 @@ class TIFFImageReaderWriter : public ImageReaderWriter {
   TIFFImageReaderWriter() {}
 
   void read(const String &filename, em::ImageHeader &header,
-            cv::Mat &data) const {
+            cv::Mat &data) const IMP_OVERRIDE {
     this->read_from_ints(filename, header, data);
   }
 
   void write(const String &filename, em::ImageHeader &header,
-             const cv::Mat &data) const {
+             const cv::Mat &data) const IMP_OVERRIDE {
     this->write_to_ints(filename, header, data);
   }
 
   void write_to_floats(const String &, em::ImageHeader &,
-                       const cv::Mat &) const {}
+                       const cv::Mat &) const IMP_OVERRIDE {}
 
-  void read_from_floats(const String &, em::ImageHeader &, cv::Mat &) const {}
+  void read_from_floats(const String &, em::ImageHeader &,
+                        cv::Mat &) const IMP_OVERRIDE {}
 
   //! Reads an image file in TIFF format
   /*!
@@ -46,7 +47,7 @@ class TIFFImageReaderWriter : public ImageReaderWriter {
       format. Eg, Spider.
   */
   void read_from_ints(const String &filename, em::ImageHeader &header,
-                      cv::Mat &data) const {
+                      cv::Mat &data) const IMP_OVERRIDE {
     IMP_LOG_VERBOSE("reading with TIFFImageReaderWriter" << std::endl);
     // read
     cv::Mat temp = cv::imread(filename, 0);
@@ -67,7 +68,7 @@ class TIFFImageReaderWriter : public ImageReaderWriter {
               You might be discarding float information.
    */
   void write_to_ints(const String &filename, em::ImageHeader &header,
-                     const cv::Mat &data) const {
+                     const cv::Mat &data) const IMP_OVERRIDE {
     IMP_UNUSED(header);
     // discard header
     IMP_LOG(IMP::WARNING,
diff --git a/modules/em2d/include/scores2D.h b/modules/em2d/include/scores2D.h
index 06b9734efc..e386a800d9 100644
--- a/modules/em2d/include/scores2D.h
+++ b/modules/em2d/include/scores2D.h
@@ -85,7 +85,7 @@ class IMPEM2DEXPORT ChiSquaredScore : public ScoreFunction {
 
  private:
   mutable Pointer<Image> variance_;
-  double get_private_score(Image *, Image *) const;
+  double get_private_score(Image *, Image *) const IMP_OVERRIDE;
   void set_variance_imag_private(Image *var) { variance_ = var; }
 };
 IMP_OBJECTS(ChiSquaredScore, ChiSquaredScores);
@@ -97,7 +97,7 @@ class IMPEM2DEXPORT EM2DScore : public ScoreFunction {
   EM2DScore() : ScoreFunction() {}
 
  private:
-  double get_private_score(Image *image, Image *projection) const {
+  double get_private_score(Image *image, Image *projection) const IMP_OVERRIDE {
     return 1 - get_cross_correlation_coefficient(image->get_data(),
                                                  projection->get_data());
   }
@@ -110,7 +110,7 @@ class IMPEM2DEXPORT MeanAbsoluteDifference : public ScoreFunction {
   MeanAbsoluteDifference() : ScoreFunction() {}
 
  private:
-  double get_private_score(Image *image, Image *projection) const;
+  double get_private_score(Image *image, Image *projection) const IMP_OVERRIDE;
 };
 IMP_OBJECTS(MeanAbsoluteDifference, MeanAbsoluteDifferences);
 
diff --git a/modules/example/include/ExampleRestraint.h b/modules/example/include/ExampleRestraint.h
index 2ea2f4c199..bade33f111 100644
--- a/modules/example/include/ExampleRestraint.h
+++ b/modules/example/include/ExampleRestraint.h
@@ -34,7 +34,7 @@ class IMPEXAMPLEEXPORT ExampleRestraint : public Restraint {
   ExampleRestraint(Model *m, ParticleIndex p, double k);
   void do_add_score_and_derivatives(ScoreAccumulator sa) const
       IMP_OVERRIDE;
-  ModelObjectsTemp do_get_inputs() const;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
   IMP_OBJECT_METHODS(ExampleRestraint);
 };
 
diff --git a/modules/kmeans/include/internal/KCtree.h b/modules/kmeans/include/internal/KCtree.h
index 35dd682c1a..f1d922cf73 100644
--- a/modules/kmeans/include/internal/KCtree.h
+++ b/modules/kmeans/include/internal/KCtree.h
@@ -225,23 +225,23 @@ class IMPKMEANSEXPORT KCleaf : public KCnode {
   virtual void makeSums(  // compute sums
       int &n,             // number of points (returned)
       KMpoint &theSum,    // sum (returned)
-      double &theSumSq);  // sum of squares (returned)
+      double &theSumSq) IMP_OVERRIDE;  // sum of squares (returned)
 
   virtual void getNeighbors(  // compute neighbors for centers
       KMctrIdxArray cands,    // candidate centers
-      int kCands);            // number of centers
+      int kCands) IMP_OVERRIDE;            // number of centers
 
   virtual void getAssignments(  // get assignments for leaf node
       KMctrIdxArray cands,      // candidate centers
       int kCands,               // number of centers
       KMctrIdxArray closeCtr,   // closest center per point
-      double *sqDist);          // sq'd distance to center
+      double *sqDist) IMP_OVERRIDE;          // sq'd distance to center
 
   // sample a center point c
-  virtual void sampleCtr(KMpoint c, KMorthRect &bb);
+  virtual void sampleCtr(KMpoint c, KMorthRect &bb) IMP_OVERRIDE;
 
   // print node
-  virtual void print(int level);
+  virtual void print(int level) IMP_OVERRIDE;
 };
 
 //----------------------------------------------------------------------
@@ -288,23 +288,23 @@ class IMPKMEANSEXPORT KCsplit : public KCnode {
   virtual void makeSums(  // compute sums
       int &n,             // number of points (returned)
       KMpoint &theSum,    // sum (returned)
-      double &theSumSq);  // sum of squares (returned)
+      double &theSumSq) IMP_OVERRIDE;  // sum of squares (returned)
 
   virtual void getNeighbors(  // compute neighbors for centers
       KMctrIdxArray cands,    // candidate centers
-      int kCands);            // number of centers
+      int kCands) IMP_OVERRIDE;            // number of centers
 
   virtual void getAssignments(  // get assignments for leaf node
       KMctrIdxArray cands,      // candidate centers
       int kCands,               // number of centers
       KMctrIdxArray closeCtr,   // closest center per point
-      double *sqDist);          // sq'd distance to center
+      double *sqDist) IMP_OVERRIDE;          // sq'd distance to center
 
   // sample a center point c
-  virtual void sampleCtr(KMpoint c, KMorthRect &bb);
+  virtual void sampleCtr(KMpoint c, KMorthRect &bb) IMP_OVERRIDE;
 
   // print node
-  virtual void print(int level);
+  virtual void print(int level) IMP_OVERRIDE;
 };
 
 //----------------------------------------------------------------------
diff --git a/modules/kmeans/include/internal/KMfilterCenters.h b/modules/kmeans/include/internal/KMfilterCenters.h
index c484dc3177..fc6bb1d914 100644
--- a/modules/kmeans/include/internal/KMfilterCenters.h
+++ b/modules/kmeans/include/internal/KMfilterCenters.h
@@ -197,7 +197,7 @@ class IMPKMEANSEXPORT KMfilterCenters : public KMcenters {
      @param[in] fancy Dummy variable to support fancy printing in child
                       classes
   */
-  virtual void print(bool fancy = true);
+  virtual void print(bool fancy = true) IMP_OVERRIDE;
 
   /**
      print centers to specified output stream
diff --git a/modules/kmeans/include/internal/KMlocal.h b/modules/kmeans/include/internal/KMlocal.h
index 4b5ba97123..a33cb0ca3c 100644
--- a/modules/kmeans/include/internal/KMlocal.h
+++ b/modules/kmeans/include/internal/KMlocal.h
@@ -276,7 +276,7 @@ class IMPKMEANSEXPORT KMlocalLloyds : public KMlocal {
   double accumRDL() {  // relative RDL for run
     return (initRunDist - curr.getDist()) / initRunDist;
   }
-  virtual void printStageStats() {  // print end of stage info
+  virtual void printStageStats() IMP_OVERRIDE {  // print end of stage info
     if (kmStatLev >= STAGE) {
       *kmOut << "\t<stage: " << stageNo << " curr: " << curr.getAvgDist()
              << " best: " << best.getAvgDist()
@@ -296,22 +296,22 @@ class IMPKMEANSEXPORT KMlocalLloyds : public KMlocal {
       : KMlocal(sol, t) {}
 
  protected:  // overridden methods
-  virtual void reset() {
+  virtual void reset() IMP_OVERRIDE {
     KMlocal::reset();              // reset base class
     isNewPhase = false;            // first phase was started
     initRunDist = curr.getDist();  // initialize run dist
     printStageStats();
   }
-  virtual KMalg selectMethod() {           // method = Lloyd's
+  virtual KMalg selectMethod() IMP_OVERRIDE {           // method = Lloyd's
     return (isNewPhase ? RANDOM : LLOYD);  // ...unless start of phase
   }
-  virtual void endStage() {  // end of stage processing
+  virtual void endStage() IMP_OVERRIDE {  // end of stage processing
     KMlocal::endStage();     // base class processing
     // get distortions
     if (curr.getAvgDist() < best.getAvgDist()) best = curr;  // update if better
     printStageStats();
   }
-  virtual bool isRunDone() {     // is run done
+  virtual bool isRunDone() IMP_OVERRIDE {     // is run done
     if (KMlocal::isRunDone() ||  // check base conditions
         stageNo - runInitStage >= term.getMaxRunStage()) {
       return true;                   // too many stages
@@ -323,7 +323,7 @@ class IMPKMEANSEXPORT KMlocalLloyds : public KMlocal {
       return accumRDL() >= term.getMinAccumRDL();
     }
   }
-  virtual void endRun() {                      // end of run processing
+  virtual void endRun() IMP_OVERRIDE {         // end of run processing
     if (accumRDL() < term.getMinAccumRDL()) {  // unsuccessful run?
       isNewPhase = true;                       // start a new phase
     } else {
@@ -376,29 +376,29 @@ class IMPKMEANSEXPORT KMlocalSwap : public KMlocal {
       : KMlocal(sol, t), maxSwaps(p) {}
 
  protected:  // overridden methods
-  virtual void reset() {
+  virtual void reset() IMP_OVERRIDE {
     KMlocal::reset();  // reset base class
     printStageStats();
   }
-  virtual void beginRun() {  // start of run processing
+  virtual void beginRun() IMP_OVERRIDE {  // start of run processing
     KMlocal::beginRun();     // base class processing
     swapNo = 0;              // init number of swaps
   }
-  virtual KMalg selectMethod() {  // method = Swap
+  virtual KMalg selectMethod() IMP_OVERRIDE {  // method = Swap
     return SWAP;
   }
-  virtual void endStage() {}        // do nothing
-  virtual bool isRunDone() {        // run is done
+  virtual void endStage() IMP_OVERRIDE {}        // do nothing
+  virtual bool isRunDone() IMP_OVERRIDE {        // run is done
     return KMlocal::isRunDone() ||  // base class say's done
            ++swapNo >= maxSwaps;    // or enough swaps done
   }
 
-  virtual void endRun() {  // end of run processing
+  virtual void endRun() IMP_OVERRIDE {  // end of run processing
     curr.getDist();
     stageNo++;
     printStageStats();  // print stage info
   }
-  virtual void tryAcceptance() {            // test acceptance
+  virtual void tryAcceptance() IMP_OVERRIDE { // test acceptance
     if (curr.getDist() < best.getDist()) {  // current distortion lower?
       best = curr;                          // then save the current
     } else {                                // current distortion worse
@@ -616,7 +616,7 @@ class IMPKMEANSEXPORT KMlocalHybrid : public KMlocal {
     return (prevDist - curr.getDist()) / prevDist;
   }
 
-  virtual void printStageStats() {  // print end of stage info
+  virtual void printStageStats() IMP_OVERRIDE {  // print end of stage info
     if (kmStatLev >= STAGE) {
       *kmOut << "    <stage: " << stageNo << " curr: " << curr.getAvgDist()
              << " best: " << best.getAvgDist() << " save: " << save.getAvgDist()
@@ -670,25 +670,25 @@ class IMPKMEANSEXPORT KMlocalHybrid : public KMlocal {
       : KMlocal(sol, t), save(sol) {}
 
  protected:  // overridden methods
-  virtual void reset() {
+  virtual void reset() IMP_OVERRIDE {
     KMlocal::reset();    // reset base class
     save = curr;         // save initial centers
     areSwapping = true;  // start with swapping
     initTempRuns();      // initialize sim. annealing
     printStageStats();
   }
-  virtual void beginStage() {   // start of stage processing
+  virtual void beginStage() IMP_OVERRIDE {  // start of stage processing
     prevDist = curr.getDist();  // save previous distortion
   }
-  virtual KMalg selectMethod() {  // select method
+  virtual KMalg selectMethod() IMP_OVERRIDE {  // select method
     return (areSwapping ? SWAP : LLOYD);
   }
-  virtual void endStage() {  // end of stage processing
+  virtual void endStage() IMP_OVERRIDE {  // end of stage processing
     stageNo++;               // increment stage number
     curr.getDist();          // get distortion
     printStageStats();
   }
-  virtual bool isRunDone() {                // run is done
+  virtual bool isRunDone() IMP_OVERRIDE {   // run is done
     if (areSwapping) {                      // swapping?
       if (!simAnnealAccept(consecRDL())) {  // check SA acceptance
         areSwapping = false;                // transition to Lloyd's
@@ -698,12 +698,12 @@ class IMPKMEANSEXPORT KMlocalHybrid : public KMlocal {
       return consecRDL() <= term.getMinConsecRDL();  // test for convergence
     }
   }
-  virtual void endRun() {               // end of run processing
+  virtual void endRun() IMP_OVERRIDE {  // end of run processing
     if (isTempRunDone()) endTempRun();  // check/process end of temp run
     areSwapping = true;                 // return to swapping
     printRunStats();
   }
-  virtual void tryAcceptance() {              // test acceptance
+  virtual void tryAcceptance() IMP_OVERRIDE { // test acceptance
     if (accumRDL() > 0) {                     // improvement over saved?
       save = curr;                            // save this one
       if (save.getDist() < best.getDist()) {  // new best?
@@ -795,7 +795,7 @@ class IMPKMEANSEXPORT KMlocalEZ_Hybrid : public KMlocal {
     return (prevDist - curr.getDist()) / prevDist;
   }
 
-  virtual void printStageStats() {  // print end of stage info
+  virtual void printStageStats() IMP_OVERRIDE {  // print end of stage info
     if (kmStatLev >= STAGE) {
       *kmOut << "    <stage: " << stageNo << " curr: " << curr.getAvgDist()
              << " best: " << best.getAvgDist() << " consecRDL: " << consecRDL()
@@ -814,23 +814,23 @@ class IMPKMEANSEXPORT KMlocalEZ_Hybrid : public KMlocal {
       : KMlocal(sol, t) {}
 
  protected:  // overridden methods
-  virtual void reset() {
+  virtual void reset() IMP_OVERRIDE {
     KMlocal::reset();    // reset base class
     areSwapping = true;  // start with swapping
     printStageStats();
   }
-  virtual void beginStage() {   // start of stage processing
+  virtual void beginStage() IMP_OVERRIDE {   // start of stage processing
     prevDist = curr.getDist();  // save previous distortion
   }
-  virtual KMalg selectMethod() {  // select method
+  virtual KMalg selectMethod() IMP_OVERRIDE {  // select method
     return (areSwapping ? SWAP : LLOYD);
   }
-  virtual void endStage() {  // end of stage processing
+  virtual void endStage() IMP_OVERRIDE {  // end of stage processing
     stageNo++;               // increment stage number
     curr.getDist();          // get distortion
     printStageStats();
   }
-  virtual bool isRunDone() {  // run is done
+  virtual bool isRunDone() IMP_OVERRIDE {  // run is done
     if (areSwapping) {        // swapping?
       areSwapping = false;    // transition to Lloyd's
       return false;
@@ -838,11 +838,11 @@ class IMPKMEANSEXPORT KMlocalEZ_Hybrid : public KMlocal {
       return consecRDL() <= term.getMinConsecRDL();  // test for convergence
     }
   }
-  virtual void endRun() {  // end of run processing
+  virtual void endRun() IMP_OVERRIDE {  // end of run processing
     areSwapping = true;    // return to swapping
     printRunStats();
   }
-  virtual void tryAcceptance() {            // test acceptance
+  virtual void tryAcceptance() IMP_OVERRIDE { // test acceptance
     if (curr.getDist() < best.getDist()) {  // new best?
       best = curr;
     }
diff --git a/modules/multi_state/include/SAXSMultiStateModelScore.h b/modules/multi_state/include/SAXSMultiStateModelScore.h
index 9af7014ae2..cd502fb761 100644
--- a/modules/multi_state/include/SAXSMultiStateModelScore.h
+++ b/modules/multi_state/include/SAXSMultiStateModelScore.h
@@ -38,22 +38,27 @@ class SAXSMultiStateModelScore : public MultiStateModelScore {
                            double min_c2 = -0.5, double max_c2 = 2.0,
                            bool use_offset = false);
 
-  double get_score(const MultiStateModel& m) const;
+  double get_score(const MultiStateModel& m) const IMP_OVERRIDE;
 
   double get_score(const MultiStateModel& m,
-                   Vector<double>& weights) const;
+                   Vector<double>& weights) const IMP_OVERRIDE;
 
-  saxs::WeightedFitParameters get_fit_parameters(MultiStateModel& m) const;
+  saxs::WeightedFitParameters get_fit_parameters(
+                  MultiStateModel& m) const IMP_OVERRIDE;
 
-  saxs::WeightedFitParameters get_fit_parameters() const;
+  saxs::WeightedFitParameters get_fit_parameters() const IMP_OVERRIDE;
 
   void write_fit_file(MultiStateModel& m,
                       const saxs::WeightedFitParameters& fp,
-                      const std::string fit_file_name) const;
+                      const std::string fit_file_name) const IMP_OVERRIDE;
 
-  std::string get_state_name(unsigned int id) const { return profiles_[id]->get_name(); }
+  std::string get_state_name(unsigned int id) const IMP_OVERRIDE {
+    return profiles_[id]->get_name();
+  }
 
-  std::string get_dataset_name() const { return exp_profile_->get_name(); }
+  std::string get_dataset_name() const IMP_OVERRIDE {
+    return exp_profile_->get_name();
+  }
 
   double get_average_c1() const { return average_c1_; }
   double get_average_c2() const { return average_c2_; }
diff --git a/modules/multifit/include/ComplementarityRestraint.h b/modules/multifit/include/ComplementarityRestraint.h
index 8fe9a6d60d..a79fc6ea60 100644
--- a/modules/multifit/include/ComplementarityRestraint.h
+++ b/modules/multifit/include/ComplementarityRestraint.h
@@ -84,7 +84,7 @@ class IMPMULTIFITEXPORT ComplementarityRestraint : public Restraint {
   IMP_OBJECT_METHODS(ComplementarityRestraint);
 #ifndef IMP_DOXYGEN
   double unprotected_evaluate_if_good(DerivativeAccumulator *accum,
-                                      double max) const;
+                                      double max) const IMP_OVERRIDE;
 #endif
  private:
   typedef std::pair<algebra::Transformation3D, algebra::DenseGrid3D<float> >
diff --git a/modules/multifit/include/DensityDataPoints.h b/modules/multifit/include/DensityDataPoints.h
index 0e9bd599d8..16b233c9bd 100644
--- a/modules/multifit/include/DensityDataPoints.h
+++ b/modules/multifit/include/DensityDataPoints.h
@@ -37,7 +37,7 @@ class IMPMULTIFITEXPORT DensityDataPoints
  public:
   DensityDataPoints(em::DensityMap *dens, float density_threshold);
   DensityDataPoints(const DensGrid &dens, float density_threshold);
-  IMP::statistics::internal::Array1DD sample() const;
+  IMP::statistics::internal::Array1DD sample() const IMP_OVERRIDE;
 
   //  em::DensityMap* get_density_map() const {return dens_;}
 
diff --git a/modules/multifit/src/internal/GeometricComplementarity.cpp b/modules/multifit/src/internal/GeometricComplementarity.cpp
index 285fa0aa31..74bc9d5eb8 100644
--- a/modules/multifit/src/internal/GeometricComplementarity.cpp
+++ b/modules/multifit/src/internal/GeometricComplementarity.cpp
@@ -29,7 +29,7 @@ class SurfaceDistanceMap : public IMP::em::SampledDensityMap {
 
   // Resample needs to be overloaded so that the number of layers
   // is not limited by num_shells_
-  void resample();
+  void resample() IMP_OVERRIDE;
 
  private:
   void set_surface_shell(std::vector<long> *shell);
diff --git a/modules/npctransport b/modules/npctransport
index 0bbb468827..9fe6a80f96 160000
--- a/modules/npctransport
+++ b/modules/npctransport
@@ -1 +1 @@
-Subproject commit 0bbb4688276a3342f3bc68de2dec53c35d0ec213
+Subproject commit 9fe6a80f96de603cb5251a779e6aaf7c366ef62b
diff --git a/modules/rmf/include/HierarchySaveLink.h b/modules/rmf/include/HierarchySaveLink.h
index 715f8364ee..fc9fafb1bc 100644
--- a/modules/rmf/include/HierarchySaveLink.h
+++ b/modules/rmf/include/HierarchySaveLink.h
@@ -74,7 +74,7 @@ class IMPRMFEXPORT HierarchySaveLink : public SimpleSaveLink<Particle> {
   virtual void do_add(Particle *p, RMF::NodeHandle cur) IMP_OVERRIDE;
   virtual void do_save_one(Particle *o,
                            RMF::NodeHandle nh) IMP_OVERRIDE;
-  RMF::NodeType get_type(Particle *) const {
+  RMF::NodeType get_type(Particle *) const IMP_OVERRIDE {
     return RMF::REPRESENTATION;
   }
 
diff --git a/modules/rmf/include/simple_links.h b/modules/rmf/include/simple_links.h
index 7d53e0d232..2dd2b83d44 100644
--- a/modules/rmf/include/simple_links.h
+++ b/modules/rmf/include/simple_links.h
@@ -35,7 +35,7 @@ class SimpleLoadLink : public LoadLink {
 
  protected:
   virtual void do_load_one(RMF::NodeConstHandle nh, O *o) = 0;
-  void do_load(RMF::FileConstHandle fh) {
+  void do_load(RMF::FileConstHandle fh) IMP_OVERRIDE {
     IMP_OBJECT_LOG;
     for (unsigned int i = 0; i < os_.size(); ++i) {
       IMP_LOG_VERBOSE("Loading " << fh.get_node(nhs_[i]) << std::endl);
@@ -135,7 +135,7 @@ class SimpleSaveLink : public SaveLink {
 
  protected:
   virtual void do_save_one(O *o, RMF::NodeHandle nh) = 0;
-  void do_save(RMF::FileHandle fh) {
+  void do_save(RMF::FileHandle fh) IMP_OVERRIDE {
     for (unsigned int i = 0; i < os_.size(); ++i) {
       IMP_LOG_VERBOSE("Saving to " << fh.get_node(nhs_[i]) << std::endl);
 
diff --git a/modules/rmf/src/geometry_io.cpp b/modules/rmf/src/geometry_io.cpp
index 3dc7097e6b..fc10124ab9 100644
--- a/modules/rmf/src/geometry_io.cpp
+++ b/modules/rmf/src/geometry_io.cpp
@@ -28,11 +28,13 @@ class GeometryLoadLink : public SimpleLoadLink<G> {
   typedef SimpleLoadLink<G> P;
   F factory_;
   RMF::decorator::ColoredFactory colored_factory_;
-  bool get_is(RMF::NodeConstHandle nh) const {
+  bool get_is(RMF::NodeConstHandle nh) const IMP_OVERRIDE {
     return nh.get_type() == RMF::GEOMETRY && factory_.get_is(nh);
   }
   using P::do_create;
-  G *do_create(RMF::NodeConstHandle name) { return new G(name.get_name()); }
+  G *do_create(RMF::NodeConstHandle name) IMP_OVERRIDE {
+    return new G(name.get_name());
+  }
 
  public:
   GeometryLoadLink(RMF::FileConstHandle fh)
@@ -63,7 +65,7 @@ class GeometrySaveLink : public SimpleSaveLink<G> {
   typedef SimpleSaveLink<G> P;
   F factory_;
   RMF::decorator::ColoredFactory colored_factory_;
-  RMF::NodeType get_type(G *) const { return RMF::GEOMETRY; }
+  RMF::NodeType get_type(G *) const IMP_OVERRIDE { return RMF::GEOMETRY; }
 
  public:
   const F &get_factory() const { return factory_; }
@@ -80,7 +82,8 @@ class SphereLoadLink : public GeometryLoadLink<display::SphereGeometry,
                                                RMF::decorator::BallFactory> {
   typedef GeometryLoadLink<display::SphereGeometry, RMF::decorator::BallFactory>
       P;
-  void do_load_one(RMF::NodeConstHandle nh, display::SphereGeometry *o) {
+  void do_load_one(RMF::NodeConstHandle nh,
+                   display::SphereGeometry *o) IMP_OVERRIDE {
     RMF::decorator::BallConst b = get_factory().get(nh);
     RMF::Vector3 cs = b.get_coordinates();
     algebra::Sphere3D s(algebra::Vector3D(cs.begin(), cs.end()),
@@ -106,7 +109,8 @@ class SphereSaveLink : public GeometrySaveLink<display::SphereGeometry,
                                                RMF::decorator::BallFactory> {
   typedef GeometrySaveLink<display::SphereGeometry, RMF::decorator::BallFactory>
       P;
-  void do_save_one(display::SphereGeometry *o, RMF::NodeHandle nh) {
+  void do_save_one(display::SphereGeometry *o,
+                   RMF::NodeHandle nh) IMP_OVERRIDE {
     save_sphere(o, nh, P::get_factory());
     P::save_color(o, nh);
     o->set_was_used(true);
@@ -122,7 +126,8 @@ class CylinderLoadLink
                               RMF::decorator::CylinderFactory> {
   typedef GeometryLoadLink<display::CylinderGeometry,
                            RMF::decorator::CylinderFactory> P;
-  void do_load_one(RMF::NodeConstHandle nh, display::CylinderGeometry *o) {
+  void do_load_one(RMF::NodeConstHandle nh,
+                   display::CylinderGeometry *o) IMP_OVERRIDE {
     RMF::decorator::CylinderConst b = get_factory().get(nh);
     RMF::Vector3s cs = b.get_coordinates_list();
     algebra::Vector3D vs[2] = {algebra::Vector3D(cs[0]),
@@ -157,7 +162,8 @@ class CylinderSaveLink
                               RMF::decorator::CylinderFactory> {
   typedef GeometrySaveLink<display::CylinderGeometry,
                            RMF::decorator::CylinderFactory> P;
-  void do_save_one(display::CylinderGeometry *o, RMF::NodeHandle nh) {
+  void do_save_one(display::CylinderGeometry *o,
+                   RMF::NodeHandle nh) IMP_OVERRIDE {
     save_cylinder(o, nh, P::get_factory());
     P::save_color(o, nh);
     o->set_was_used(true);
@@ -187,7 +193,8 @@ class SegmentLoadLink
                               RMF::decorator::SegmentFactory> {
   typedef GeometryLoadLink<display::SegmentGeometry,
                            RMF::decorator::SegmentFactory> P;
-  void do_load_one(RMF::NodeConstHandle nh, display::SegmentGeometry *o) {
+  void do_load_one(RMF::NodeConstHandle nh,
+                   display::SegmentGeometry *o) IMP_OVERRIDE {
     RMF::decorator::SegmentConst b = get_factory().get(nh);
     o->set_geometry(get_segment(b));
     P::load_color(nh, o);
@@ -210,7 +217,8 @@ class SegmentSaveLink
                               RMF::decorator::SegmentFactory> {
   typedef GeometrySaveLink<display::SegmentGeometry,
                            RMF::decorator::SegmentFactory> P;
-  void do_save_one(display::SegmentGeometry *o, RMF::NodeHandle nh) {
+  void do_save_one(display::SegmentGeometry *o,
+                   RMF::NodeHandle nh) IMP_OVERRIDE {
     save_segment(o, nh, P::get_factory());
     P::save_color(o, nh);
     o->set_was_used(true);
@@ -225,7 +233,8 @@ class BoxLoadLink : public GeometryLoadLink<display::BoundingBoxGeometry,
                                             RMF::decorator::SegmentFactory> {
   typedef GeometryLoadLink<display::BoundingBoxGeometry,
                            RMF::decorator::SegmentFactory> P;
-  void do_load_one(RMF::NodeConstHandle nh, display::BoundingBoxGeometry *o) {
+  void do_load_one(RMF::NodeConstHandle nh,
+                   display::BoundingBoxGeometry *o) IMP_OVERRIDE {
     algebra::BoundingBox3D b;
     RMF::NodeConstHandles nhs = nh.get_children();
     IMP_USAGE_CHECK(nhs.size() == 12,
@@ -240,7 +249,7 @@ class BoxLoadLink : public GeometryLoadLink<display::BoundingBoxGeometry,
     o->set_geometry(b);
     P::load_color(nh, o);
   }
-  bool get_is(RMF::NodeConstHandle nh) const {
+  bool get_is(RMF::NodeConstHandle nh) const IMP_OVERRIDE {
     if (nh.get_type() != RMF::GEOMETRY) return false;
     RMF::NodeConstHandles ch = nh.get_children();
     if (ch.size() != 12) return false;
@@ -276,12 +285,14 @@ class BoxSaveLink : public GeometrySaveLink<display::BoundingBoxGeometry,
                                             RMF::decorator::SegmentFactory> {
   typedef GeometrySaveLink<display::BoundingBoxGeometry,
                            RMF::decorator::SegmentFactory> P;
-  void do_save_one(display::BoundingBoxGeometry *o, RMF::NodeHandle nh) {
+  void do_save_one(display::BoundingBoxGeometry *o,
+                   RMF::NodeHandle nh) IMP_OVERRIDE {
     save_box(o, nh, P::get_factory());
     P::save_color(o, nh);
     o->set_was_used(true);
   }
-  void do_add(display::BoundingBoxGeometry *o, RMF::NodeHandle nh) {
+  void do_add(display::BoundingBoxGeometry *o,
+              RMF::NodeHandle nh) IMP_OVERRIDE {
     add_box(o, nh);
     P::do_add(o, nh);
   }
diff --git a/modules/rmf/src/particle_io.cpp b/modules/rmf/src/particle_io.cpp
index aa0f972f49..26fadcde5a 100644
--- a/modules/rmf/src/particle_io.cpp
+++ b/modules/rmf/src/particle_io.cpp
@@ -58,17 +58,17 @@ class ParticleLoadLink : public SimpleLoadLink<Particle> {
       }
     }
   }
-  void do_load_one(RMF::NodeConstHandle nh, Particle *o) {
+  void do_load_one(RMF::NodeConstHandle nh, Particle *o) IMP_OVERRIDE {
     RMF::Category cat = nh.get_file().get_category("IMP");
     load_one<IMP::FloatKey, RMF::FloatKey>(o, nh, cat);
     load_one<IMP::IntKey, RMF::IntKey>(o, nh, cat);
     load_one<IMP::StringKey, RMF::StringKey>(o, nh, cat);
   }
-  bool get_is(RMF::NodeConstHandle nh) const {
+  bool get_is(RMF::NodeConstHandle nh) const IMP_OVERRIDE {
     return nh.get_type() == RMF::CUSTOM;
   }
   using P::do_create;
-  Particle *do_create(RMF::NodeConstHandle name, Model *m) {
+  Particle *do_create(RMF::NodeConstHandle name, Model *m) IMP_OVERRIDE {
     return new Particle(m, name.get_name());
   }
 
@@ -96,12 +96,12 @@ class ParticleSaveLink : public SimpleSaveLink<Particle> {
     }
   }
 
-  void do_save_one(Particle *o, RMF::NodeHandle nh) {
+  void do_save_one(Particle *o, RMF::NodeHandle nh) IMP_OVERRIDE {
     save_one(o, o->get_float_keys(), nh, float_);
     save_one(o, o->get_int_keys(), nh, int_);
     save_one(o, o->get_string_keys(), nh, string_);
   }
-  RMF::NodeType get_type(Particle *) const { return RMF::CUSTOM; }
+  RMF::NodeType get_type(Particle *) const IMP_OVERRIDE { return RMF::CUSTOM; 0}
 
  public:
   ParticleSaveLink(RMF::FileHandle fh) : P("ParticleSaveLink%1%") {
diff --git a/modules/rmf/src/restraint_io.cpp b/modules/rmf/src/restraint_io.cpp
index 6245a5a91f..10c3c54cba 100644
--- a/modules/rmf/src/restraint_io.cpp
+++ b/modules/rmf/src/restraint_io.cpp
@@ -52,9 +52,10 @@ class RMFRestraint : public Restraint {
   RestraintInfo *get_static_info() const IMP_OVERRIDE { return info_; }
 
 #endif
-  double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
-  ModelObjectsTemp do_get_inputs() const;
-  Restraints do_create_current_decomposition() const;
+  double unprotected_evaluate(
+                  IMP::DerivativeAccumulator *accum) const IMP_OVERRIDE;
+  ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
+  Restraints do_create_current_decomposition() const IMP_OVERRIDE;
   IMP_OBJECT_METHODS(RMFRestraint);
 };
 
@@ -178,7 +179,7 @@ class RestraintLoadLink : public SimpleLoadLink<Restraint> {
   RMF::StringKeys filenameks_;
   RMF::StringsKeys filenamesks_;
 
-  void do_load_one(RMF::NodeConstHandle nh, Restraint *oi) {
+  void do_load_one(RMF::NodeConstHandle nh, Restraint *oi) IMP_OVERRIDE {
     RMF::NodeConstHandles chs = nh.get_children();
     if (sf_.get_is(nh)) {
       RMF::decorator::ScoreConst d = sf_.get(nh);
@@ -195,11 +196,11 @@ class RestraintLoadLink : public SimpleLoadLink<Restraint> {
     }
   }
 
-  bool get_is(RMF::NodeConstHandle nh) const {
+  bool get_is(RMF::NodeConstHandle nh) const IMP_OVERRIDE {
     return nh.get_type() == RMF::FEATURE;
   }
   using P::do_create;
-  Restraint *do_create(RMF::NodeConstHandle name, Model *m) {
+  Restraint *do_create(RMF::NodeConstHandle name, Model *m) IMP_OVERRIDE {
     RMF::NodeConstHandles chs = name.get_children();
     Restraints childr;
     ParticlesTemp inputs;
@@ -492,7 +493,7 @@ class RestraintSaveLink : public SimpleSaveLink<Restraint> {
   unsigned int max_terms_;
   boost::unordered_set<Restraint *> no_terms_;
 
-  void do_add(Restraint *r, RMF::NodeHandle nh) {
+  void do_add(Restraint *r, RMF::NodeHandle nh) IMP_OVERRIDE {
     // handle restraints being in multiple sets
     all_.push_back(r);
     rsf_ = new core::RestraintsScoringFunction(all_);
@@ -515,7 +516,7 @@ class RestraintSaveLink : public SimpleSaveLink<Restraint> {
       }
     }
   }
-  void do_save_one(Restraint *o, RMF::NodeHandle nh) {
+  void do_save_one(Restraint *o, RMF::NodeHandle nh) IMP_OVERRIDE {
     IMP_OBJECT_LOG;
     IMP_LOG_TERSE("Saving restraint info for " << o->get_name() << std::endl);
     RestraintSaveData &d = data_[o];
@@ -810,11 +811,13 @@ class RestraintSaveLink : public SimpleSaveLink<Restraint> {
     }
   }
 
-  void do_save(RMF::FileHandle fh) {
+  void do_save(RMF::FileHandle fh) IMP_OVERRIDE {
     rsf_->evaluate(false);
     P::do_save(fh);
   }
-  RMF::NodeType get_type(Restraint *) const { return RMF::FEATURE; }
+  RMF::NodeType get_type(Restraint *) const IMP_OVERRIDE {
+    return RMF::FEATURE;
+  }
 
  public:
   RestraintSaveLink(RMF::FileHandle fh)

From 1b070eb01712f49cbc962e3a80cb565788a98b00 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 18 Aug 2021 17:44:49 -0700
Subject: [PATCH 150/250] Fix typo

---
 modules/rmf/src/particle_io.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/rmf/src/particle_io.cpp b/modules/rmf/src/particle_io.cpp
index 26fadcde5a..815337ba98 100644
--- a/modules/rmf/src/particle_io.cpp
+++ b/modules/rmf/src/particle_io.cpp
@@ -101,7 +101,7 @@ class ParticleSaveLink : public SimpleSaveLink<Particle> {
     save_one(o, o->get_int_keys(), nh, int_);
     save_one(o, o->get_string_keys(), nh, string_);
   }
-  RMF::NodeType get_type(Particle *) const IMP_OVERRIDE { return RMF::CUSTOM; 0}
+  RMF::NodeType get_type(Particle *) const IMP_OVERRIDE { return RMF::CUSTOM; }
 
  public:
   ParticleSaveLink(RMF::FileHandle fh) : P("ParticleSaveLink%1%") {

From 46a23cc26a8232cdcb086ba04acad6845c6648a4 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 19 Aug 2021 00:24:47 -0700
Subject: [PATCH 151/250] Add missing deprecation macros

---
 modules/kernel/src/dependency_graph.cpp | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/modules/kernel/src/dependency_graph.cpp b/modules/kernel/src/dependency_graph.cpp
index 0274aff109..ffa51bddff 100644
--- a/modules/kernel/src/dependency_graph.cpp
+++ b/modules/kernel/src/dependency_graph.cpp
@@ -92,6 +92,8 @@ ParticlesTemp get_dependent_particles(ModelObject *p,
                                       const ModelObjectsTemp &all,
                                       const DependencyGraph &dg,
                                       const DependencyGraphVertexIndex &index) {
+  IMPKERNEL_DEPRECATED_FUNCTION_DEF(
+           2.1, "You should act directly on the ModelObjects instead.");
   return get_dependent<ParticlesTemp, Particle, false>(
       ModelObjectsTemp(1, p), all, dg, index);
 }
@@ -99,6 +101,8 @@ ParticlesTemp get_dependent_particles(ModelObject *p,
 ScoreStatesTemp get_required_score_states(
     ModelObject *p, const ModelObjectsTemp &all, const DependencyGraph &dg,
     const DependencyGraphVertexIndex &index) {
+  IMPKERNEL_DEPRECATED_FUNCTION_DEF(
+           2.1, "You should act directly on the ModelObjects instead.");
   return get_dependent<ScoreStatesTemp, ScoreState, true>(
       ModelObjectsTemp(1, p), all, dg, index);
 }

From 103267dbe184b39c4f631c238520d8294ce3d93e Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 19 Aug 2021 14:02:36 -0700
Subject: [PATCH 152/250] Add more missing IMP_OVERRIDE annotations

---
 modules/core/src/rigid_bodies.cpp                   |  6 +++---
 modules/em2d/include/JPGImageReaderWriter.h         | 13 +++++++------
 modules/npctransport                                |  2 +-
 modules/spb/include/DiameterRgyrRestraint.h         |  2 +-
 modules/spb/include/EM2DRestraint.h                 |  4 ++--
 modules/spb/include/MolecularDynamicsWithWte.h      |  6 +++---
 modules/spb/include/MonteCarloWithWte.h             |  2 +-
 modules/spb/include/UniformBoundedRestraint.h       |  4 ++--
 .../container_templates/kernel/classname_macros.h   |  6 ++++--
 9 files changed, 24 insertions(+), 21 deletions(-)

diff --git a/modules/core/src/rigid_bodies.cpp b/modules/core/src/rigid_bodies.cpp
index 611ee90aa9..6c88e5e983 100644
--- a/modules/core/src/rigid_bodies.cpp
+++ b/modules/core/src/rigid_bodies.cpp
@@ -145,9 +145,9 @@ class NormalizeRotation : public SingletonModifier {
       Model *m, const ParticleIndexes &pis) const IMP_OVERRIDE;
   virtual ModelObjectsTemp do_get_outputs(
       Model *m, const ParticleIndexes &pis) const IMP_OVERRIDE;
-  virtual void apply_indexes(Model *m, const ParticleIndexes &pis,
-                             unsigned int lower_bound,
-                             unsigned int upper_bound) const IMP_FINAL;
+  virtual void apply_indexes(
+      Model *m, const ParticleIndexes &pis, unsigned int lower_bound,
+      unsigned int upper_bound) const IMP_OVERRIDE IMP_FINAL;
   //  IMP_SINGLETON_MODIFIER_METHODS(NormalizeRotation);
   IMP_OBJECT_METHODS(NormalizeRotation);
 };
diff --git a/modules/em2d/include/JPGImageReaderWriter.h b/modules/em2d/include/JPGImageReaderWriter.h
index 9f306618dd..c048665ec6 100644
--- a/modules/em2d/include/JPGImageReaderWriter.h
+++ b/modules/em2d/include/JPGImageReaderWriter.h
@@ -20,12 +20,12 @@ class JPGImageReaderWriter : public ImageReaderWriter {
   JPGImageReaderWriter() {}
 
   void read(const String &filename, em::ImageHeader &header,
-            cv::Mat &data) const {
+            cv::Mat &data) const IMP_OVERRIDE {
     this->read_from_ints(filename, header, data);
   }
 
   void write(const String &filename, em::ImageHeader &header,
-             const cv::Mat &data) const {
+             const cv::Mat &data) const IMP_OVERRIDE {
     this->write_to_ints(filename, header, data);
   }
 
@@ -39,7 +39,7 @@ class JPGImageReaderWriter : public ImageReaderWriter {
       format. Eg, Spider.
   */
   void read_from_ints(const String &filename, em::ImageHeader &header,
-                      cv::Mat &data) const {
+                      cv::Mat &data) const IMP_OVERRIDE {
     IMP_LOG_VERBOSE("reading with JPGImageReaderWriter" << std::endl);
     // read
     cv::Mat temp = cv::imread(filename, 0);
@@ -52,9 +52,10 @@ class JPGImageReaderWriter : public ImageReaderWriter {
   }
 
   void write_to_floats(const String &, em::ImageHeader &,
-                       const cv::Mat &) const {}
+                       const cv::Mat &) const IMP_OVERRIDE {}
 
-  void read_from_floats(const String &, em::ImageHeader &, cv::Mat &) const {}
+  void read_from_floats(const String &, em::ImageHeader &,
+                        cv::Mat &) const IMP_OVERRIDE {}
 
   //! Writes an EM image in JPG format
   /*!
@@ -65,7 +66,7 @@ class JPGImageReaderWriter : public ImageReaderWriter {
               You might be discarding float information.
    */
   void write_to_ints(const String &filename, em::ImageHeader &header,
-                     const cv::Mat &data) const {
+                     const cv::Mat &data) const IMP_OVERRIDE {
     IMP_UNUSED(header);
     // discard header
     IMP_LOG(IMP::WARNING,
diff --git a/modules/npctransport b/modules/npctransport
index 9fe6a80f96..c34d7e0d36 160000
--- a/modules/npctransport
+++ b/modules/npctransport
@@ -1 +1 @@
-Subproject commit 9fe6a80f96de603cb5251a779e6aaf7c366ef62b
+Subproject commit c34d7e0d3647a7b9e4a3fa23092148045c227e5c
diff --git a/modules/spb/include/DiameterRgyrRestraint.h b/modules/spb/include/DiameterRgyrRestraint.h
index c0b3bc7ed4..79d4400750 100644
--- a/modules/spb/include/DiameterRgyrRestraint.h
+++ b/modules/spb/include/DiameterRgyrRestraint.h
@@ -33,7 +33,7 @@ class IMPSPBEXPORT DiameterRgyrRestraint : public Restraint {
 
   virtual double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const
       IMP_OVERRIDE;
-  IMP::ModelObjectsTemp do_get_inputs() const;
+  IMP::ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(DiameterRgyrRestraint);
 };
diff --git a/modules/spb/include/EM2DRestraint.h b/modules/spb/include/EM2DRestraint.h
index 21ee89ef17..8a65b1ea4b 100644
--- a/modules/spb/include/EM2DRestraint.h
+++ b/modules/spb/include/EM2DRestraint.h
@@ -61,7 +61,7 @@ class IMPSPBEXPORT EM2DRestraint : public spb::ISDRestraint {
   double get_element(double fmod, double sigma) const;
 
   // get probability
-  double get_probability() const;
+  double get_probability() const IMP_OVERRIDE;
 
   /** This macro declares the basic needed methods: evaluate and show
    */
@@ -73,7 +73,7 @@ class IMPSPBEXPORT EM2DRestraint : public spb::ISDRestraint {
 
   virtual double unprotected_evaluate(IMP::DerivativeAccumulator* accum) const
       IMP_OVERRIDE;
-  IMP::ModelObjectsTemp do_get_inputs() const;
+  IMP::ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(EM2DRestraint);
 };
diff --git a/modules/spb/include/MolecularDynamicsWithWte.h b/modules/spb/include/MolecularDynamicsWithWte.h
index d5f9fef334..13c914b0fb 100644
--- a/modules/spb/include/MolecularDynamicsWithWte.h
+++ b/modules/spb/include/MolecularDynamicsWithWte.h
@@ -89,9 +89,9 @@ class IMPSPBEXPORT MolecularDynamicsWithWte : public atom::Simulator {
   void rescale_velocities(Float rescale);
 
   // IMP_SIMULATOR(MolecularDynamicsWithWte);
-  virtual void setup(const ParticleIndexes &ps);
-  virtual double do_step(const ParticleIndexes &sc, double dt);
-  virtual bool get_is_simulation_particle(ParticleIndex p) const;
+  virtual void setup(const ParticleIndexes &ps) IMP_OVERRIDE;
+  virtual double do_step(const ParticleIndexes &sc, double dt) IMP_OVERRIDE;
+  virtual bool get_is_simulation_particle(ParticleIndex p) const IMP_OVERRIDE;
 
  protected:
   void initialize();
diff --git a/modules/spb/include/MonteCarloWithWte.h b/modules/spb/include/MonteCarloWithWte.h
index 8275043312..07064ce954 100644
--- a/modules/spb/include/MonteCarloWithWte.h
+++ b/modules/spb/include/MonteCarloWithWte.h
@@ -66,7 +66,7 @@ class IMPSPBEXPORT MonteCarloWithWte : public core::MonteCarlo {
   }
 
   // IMP_MONTE_CARLO(MonteCarloWithWte);
-  virtual void do_step();
+  virtual void do_step() IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(MonteCarloWithWte);
 };
diff --git a/modules/spb/include/UniformBoundedRestraint.h b/modules/spb/include/UniformBoundedRestraint.h
index aa894f65fe..0dc15761c3 100644
--- a/modules/spb/include/UniformBoundedRestraint.h
+++ b/modules/spb/include/UniformBoundedRestraint.h
@@ -34,7 +34,7 @@ class IMPSPBEXPORT UniformBoundedRestraint
   UniformBoundedRestraint(Particle *p, FloatKey fk, Particle *a, Particle *b);
 
   /* call for probability */
-  double get_probability() const;
+  double get_probability() const IMP_OVERRIDE;
 
   /** This macro declares the basic needed methods: evaluate and show
    */
@@ -42,7 +42,7 @@ class IMPSPBEXPORT UniformBoundedRestraint
   //
   virtual double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const
       IMP_OVERRIDE;
-  IMP::ModelObjectsTemp do_get_inputs() const;
+  IMP::ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(UniformBoundedRestraint);
 };
diff --git a/tools/build/container_templates/kernel/classname_macros.h b/tools/build/container_templates/kernel/classname_macros.h
index fca258921c..7ff885dcf0 100644
--- a/tools/build/container_templates/kernel/classname_macros.h
+++ b/tools/build/container_templates/kernel/classname_macros.h
@@ -21,7 +21,8 @@
 #define IMP_CLASSNAME_SCORE_METHODS(Name)                                      \
   double evaluate_indexes(Model *m, const PLURALINDEXTYPE &p,                  \
                           DerivativeAccumulator *da, unsigned int lower_bound, \
-                          unsigned int upper_bound) const IMP_FINAL {          \
+                          unsigned int upper_bound)                            \
+                          const IMP_OVERRIDE IMP_FINAL {                       \
     double ret = 0;                                                            \
     for (unsigned int i = lower_bound; i < upper_bound; ++i) {                 \
       ret += evaluate_index(m, p[i], da);                                      \
@@ -90,7 +91,8 @@
 #define IMP_CLASSNAME_MODIFIER_METHODS(Name)                             \
   virtual void apply_indexes(Model *m, const PLURALINDEXTYPE &o,         \
                              unsigned int lower_bound,                   \
-                             unsigned int upper_bound) const IMP_FINAL { \
+                             unsigned int upper_bound)                   \
+                             const IMP_OVERRIDE IMP_FINAL {              \
     for (unsigned int i = lower_bound; i < upper_bound; ++i) {           \
       apply_index(m, o[i]);                                              \
     }                                                                    \

From 5739f403a256e90bcc507e177cd278dae6c32882 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 19 Aug 2021 17:06:45 -0700
Subject: [PATCH 153/250] Add function to get ScoreStates affected by particle

---
 modules/kernel/include/dependency_graph.h |  6 ++++++
 modules/kernel/src/dependency_graph.cpp   | 17 ++++++++++++-----
 modules/kernel/test/test_score_state.py   | 16 ++++++++++++++--
 3 files changed, 32 insertions(+), 7 deletions(-)

diff --git a/modules/kernel/include/dependency_graph.h b/modules/kernel/include/dependency_graph.h
index cff707b0c5..9dc7dbd477 100644
--- a/modules/kernel/include/dependency_graph.h
+++ b/modules/kernel/include/dependency_graph.h
@@ -72,6 +72,12 @@ IMPKERNELEXPORT ParticlesTemp
     \note The list may contain duplicates. */
 IMPKERNELEXPORT RestraintsTemp
     get_dependent_restraints(Model *m, ParticleIndex pi);
+
+//! Return all ScoreStates that depend on this Particle.
+/*  Model::set_has_all_dependencies() must be called first.
+    \note The list may contain duplicates. */
+IMPKERNELEXPORT ScoreStatesTemp
+    get_dependent_score_states(Model *m, ParticleIndex pi);
 #endif
 
 IMPKERNEL_END_NAMESPACE
diff --git a/modules/kernel/src/dependency_graph.cpp b/modules/kernel/src/dependency_graph.cpp
index ffa51bddff..1deb67bd39 100644
--- a/modules/kernel/src/dependency_graph.cpp
+++ b/modules/kernel/src/dependency_graph.cpp
@@ -343,15 +343,16 @@ struct cycle_detector : public boost::default_dfs_visitor {
 };
 
 namespace {
-RestraintsTemp do_get_dependent_restraints(ModelObject *mo) {
-  RestraintsTemp ret;
-  Restraint *r = dynamic_cast<Restraint *>(mo);
+template <class MOType, class MOVector>
+MOVector do_get_dependent(ModelObject *mo) {
+  MOVector ret;
+  MOType *r = dynamic_cast<MOType *>(mo);
   if (r) {
     ret.push_back(r);
   }
   IMP_FOREACH(ModelObject * cur,
               mo->get_model()->get_dependency_graph_outputs(mo)) {
-    ret += do_get_dependent_restraints(cur);
+    ret += do_get_dependent<MOType, MOVector>(cur);
   }
   return ret;
 }
@@ -360,7 +361,13 @@ RestraintsTemp do_get_dependent_restraints(ModelObject *mo) {
 RestraintsTemp get_dependent_restraints(Model *m, ParticleIndex pi) {
   m->set_has_all_dependencies(true);
   ModelObject *cur = m->get_particle(pi);
-  return do_get_dependent_restraints(cur);
+  return do_get_dependent<Restraint, RestraintsTemp>(cur);
+}
+
+ScoreStatesTemp get_dependent_score_states(Model *m, ParticleIndex pi) {
+  m->set_has_all_dependencies(true);
+  ModelObject *cur = m->get_particle(pi);
+  return do_get_dependent<ScoreState, ScoreStatesTemp>(cur);
 }
 
 IMPKERNEL_END_NAMESPACE
diff --git a/modules/kernel/test/test_score_state.py b/modules/kernel/test/test_score_state.py
index be27087d0d..1dc49657c7 100644
--- a/modules/kernel/test/test_score_state.py
+++ b/modules/kernel/test/test_score_state.py
@@ -8,9 +8,10 @@ class LoggingScoreState(IMP.ScoreState):
 
     """ScoreState that logs all calls"""
 
-    def __init__(self, m, log):
+    def __init__(self, m, log, inputs=[]):
         IMP.ScoreState.__init__(self, m, "Logging%1%")
         self.log = log
+        self.inputs = inputs
 
     def do_before_evaluate(self):
         self.log.append('update')
@@ -31,7 +32,7 @@ def get_version_info(self):
         return IMP.get_module_version_info()
 
     def do_get_inputs(self):
-        return []
+        return self.inputs
 
     def do_get_outputs(self):
         return []
@@ -49,5 +50,16 @@ def test_score_state_update(self):
         m.update()
         self.assertEqual(ss.log, ["update"])
 
+    def test_get_dependent_score_states(self):
+        """Test get_dependent_score_states() function"""
+        log = []
+        m = IMP.Model()
+        p1 = IMP.Particle(m)
+        p2 = IMP.Particle(m)
+        ss1 = LoggingScoreState(m, log, inputs=[p1])
+        self.assertEqual(IMP.get_dependent_score_states(m, p1), [ss1])
+        self.assertEqual(IMP.get_dependent_score_states(m, p2), [])
+
+
 if __name__ == '__main__':
     IMP.test.main()

From 20250a0da056bbde6d50c484dc0194ba0f386a8d Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 19 Aug 2021 21:48:41 -0700
Subject: [PATCH 154/250] Skip some ScoreStates during evaluate_moved()

When calling evaluate_moved(), prune the set of
ScoreStates to remove any that only take unmoved
particles as input/output. Since some states may
want to always be called (e.g. those that log)
make this an 'opt-in' feature per ScoreState,
with a 'can_skip' flag.
---
 modules/kernel/include/Model.h                |  4 +-
 modules/kernel/include/ScoreState.h           | 19 ++++++
 modules/kernel/include/ScoringFunction.h      | 10 +++
 modules/kernel/include/dependency_graph.h     |  8 ++-
 .../include/internal/MovedParticlesCache.h    | 43 ------------
 .../include/internal/moved_particles_cache.h  | 64 ++++++++++++++++++
 modules/kernel/src/ScoreState.cpp             |  2 +-
 modules/kernel/src/ScoringFunction.cpp        | 39 +++++++----
 modules/kernel/src/dependency_graph.cpp       |  6 ++
 .../src/internal/moved_particles_cache.cpp    | 67 +++++++++++++++++++
 modules/kernel/test/test_score_state.py       | 59 ++++++++++++++--
 11 files changed, 256 insertions(+), 65 deletions(-)
 delete mode 100644 modules/kernel/include/internal/MovedParticlesCache.h
 create mode 100644 modules/kernel/include/internal/moved_particles_cache.h
 create mode 100644 modules/kernel/src/internal/moved_particles_cache.cpp

diff --git a/modules/kernel/include/Model.h b/modules/kernel/include/Model.h
index c1e29eefa9..92d3259a74 100644
--- a/modules/kernel/include/Model.h
+++ b/modules/kernel/include/Model.h
@@ -21,7 +21,7 @@
 #include "Undecorator.h"
 #include "internal/AttributeTable.h"
 #include "internal/attribute_tables.h"
-#include "internal/MovedParticlesCache.h"
+#include "internal/moved_particles_cache.h"
 #include <IMP/Object.h>
 #include <IMP/Pointer.h>
 #include <boost/unordered_map.hpp>
@@ -125,7 +125,7 @@ class IMPKERNELEXPORT Model : public Object
   unsigned dependencies_age_;
   // cache of restraints that are affected by each moved particle,
   // used for evaluate_moved() and related functions
-  internal::MovedParticlesCache moved_particles_cache_;
+  internal::MovedParticlesRestraintCache moved_particles_cache_;
   // time when moved_particles_cache_ was last updated, or 0
   unsigned moved_particles_cache_age_;
 
diff --git a/modules/kernel/include/ScoreState.h b/modules/kernel/include/ScoreState.h
index 4b900a7297..2fc3c524b3 100644
--- a/modules/kernel/include/ScoreState.h
+++ b/modules/kernel/include/ScoreState.h
@@ -53,6 +53,17 @@ IMPKERNEL_BEGIN_NAMESPACE
  */
 class IMPKERNELEXPORT ScoreState : public ModelObject {
   int update_order_;
+  bool can_skip_;
+
+ protected:
+  //! Set whether we can skip during model evaluation if appropriate
+  /** This should be set only once before the state is used (ideally in the
+      constructor), and can be used for ScoreStates that can safely be
+      skipped if their inputs or outputs didn't move. For example, a state
+      that expects to log every N frames should not be skipped.
+      By default, states are not skipped.
+   */
+  void set_can_skip(bool can_skip) { can_skip_ = can_skip; }
 
  public:
   ScoreState(Model *m, std::string name);
@@ -62,6 +73,14 @@ class IMPKERNELEXPORT ScoreState : public ModelObject {
   //! Do post evaluation work if needed
   void after_evaluate(DerivativeAccumulator *accpt);
 
+  //! Get whether this state can be skipped if its inputs/outputs didn't move
+  /** During Monte Carlo and other types of sampling that only move parts
+      of the system, ScoreStates where this returns true may be skipped at
+      model evaluation time if none of the inputs or outputs moved since
+      the last evaluation.
+   */
+  bool get_can_skip() const { return can_skip_; }
+
 #ifndef IMP_DOXYGEN
   bool get_has_update_order() const { return update_order_ != -1; }
   unsigned int get_update_order() const { return update_order_; }
diff --git a/modules/kernel/include/ScoringFunction.h b/modules/kernel/include/ScoringFunction.h
index e73f0ffeec..e297c40d02 100644
--- a/modules/kernel/include/ScoringFunction.h
+++ b/modules/kernel/include/ScoringFunction.h
@@ -14,6 +14,7 @@
 #include "dependency_graph.h"
 #include "Restraint.h"
 #include "ModelObject.h"
+#include "internal/moved_particles_cache.h"
 #include <IMP/InputAdaptor.h>
 #include <IMP/Pointer.h>
 
@@ -39,6 +40,15 @@ being evaluated (this is cached)
 */
 class IMPKERNELEXPORT ScoringFunction : public ModelObject {
   EvaluationState es_;
+  // cache of ScoreStates that are affected by each moved particle,
+  // used for evaluate_moved() and related functions
+  internal::MovedParticlesScoreStateCache moved_particles_cache_;
+  // time when moved_particles_cache_ was last updated, or 0
+  unsigned moved_particles_cache_age_;
+
+  const ScoreStatesTemp& get_moved_required_score_states(
+                               const ParticleIndexes &moved_pis);
+
   // later make things implement inputs and return restraints
  public:
   typedef std::pair<double, bool> ScoreIsGoodPair;
diff --git a/modules/kernel/include/dependency_graph.h b/modules/kernel/include/dependency_graph.h
index 9dc7dbd477..5c623ee445 100644
--- a/modules/kernel/include/dependency_graph.h
+++ b/modules/kernel/include/dependency_graph.h
@@ -74,10 +74,14 @@ IMPKERNELEXPORT RestraintsTemp
     get_dependent_restraints(Model *m, ParticleIndex pi);
 
 //! Return all ScoreStates that depend on this Particle.
-/*  Model::set_has_all_dependencies() must be called first.
-    \note The list may contain duplicates. */
+/** \note The list may contain duplicates. */
 IMPKERNELEXPORT ScoreStatesTemp
     get_dependent_score_states(Model *m, ParticleIndex pi);
+
+//! Return all ScoreStates that are required by this Particle.
+/** \note The list may contain duplicates. */
+IMPKERNELEXPORT ScoreStatesTemp
+    get_required_score_states(Model *m, ParticleIndex pi);
 #endif
 
 IMPKERNEL_END_NAMESPACE
diff --git a/modules/kernel/include/internal/MovedParticlesCache.h b/modules/kernel/include/internal/MovedParticlesCache.h
deleted file mode 100644
index 935569da39..0000000000
--- a/modules/kernel/include/internal/MovedParticlesCache.h
+++ /dev/null
@@ -1,43 +0,0 @@
-/**
- *  \file internal/MovedParticlesCache.h
- *  \brief Various useful utilities
- *
- *  Copyright 2007-2021 IMP Inventors. All rights reserved.
- */
-
-#ifndef IMPKERNEL_INTERNAL_MOVED_PARTICLES_CACHE_H
-#define IMPKERNEL_INTERNAL_MOVED_PARTICLES_CACHE_H
-
-#include <IMP/kernel_config.h>
-#include <IMP/Model.h>
-#include <IMP/dependency_graph.h>
-
-IMPKERNEL_BEGIN_INTERNAL_NAMESPACE
-
-class MovedParticlesCache {
-  Model *m_;
-  typedef std::map<ParticleIndex, std::set<Restraint *> > CacheMap;
-  CacheMap cache_;
-
-public:
-  MovedParticlesCache(Model *m) : m_(m) {}
-
-  const std::set<Restraint *> &get_dependent_restraints(ParticleIndex pi) {
-    CacheMap::const_iterator it = cache_.find(pi);
-    if (it == cache_.end()) {
-      RestraintsTemp rs = IMP::get_dependent_restraints(m_, pi);
-      std::set<Restraint *> rsset(rs.begin(), rs.end());
-      cache_[pi] = rsset;
-      it = cache_.find(pi);
-    }
-    return it->second;
-  }
-
-  // clear when dependency graph changes, and/or
-  // particles/restraints added/removed
-  void clear() { cache_.clear(); }
-};
-
-IMPKERNEL_END_INTERNAL_NAMESPACE
-
-#endif /* IMPKERNEL_INTERNAL_MOVED_PARTICLES_CACHE_H */
diff --git a/modules/kernel/include/internal/moved_particles_cache.h b/modules/kernel/include/internal/moved_particles_cache.h
new file mode 100644
index 0000000000..295483dbc5
--- /dev/null
+++ b/modules/kernel/include/internal/moved_particles_cache.h
@@ -0,0 +1,64 @@
+/**
+ *  \file internal/moved_particles_cache.h
+ *  \brief Cache ModelObjects that change when a Particle moves
+
+ *
+ *  Copyright 2007-2021 IMP Inventors. All rights reserved.
+ */
+
+#ifndef IMPKERNEL_INTERNAL_MOVED_PARTICLES_CACHE_H
+#define IMPKERNEL_INTERNAL_MOVED_PARTICLES_CACHE_H
+
+#include <IMP/kernel_config.h>
+#include <IMP/base_types.h>
+#include <IMP/dependency_graph.h>
+
+IMPKERNEL_BEGIN_INTERNAL_NAMESPACE
+
+//! Cache Restraints that change when a Particle moves
+class MovedParticlesRestraintCache {
+  Model *m_;
+  typedef std::map<ParticleIndex, std::set<Restraint *> > CacheMap;
+  CacheMap cache_;
+
+public:
+  MovedParticlesRestraintCache(Model *m) : m_(m) {}
+
+  //! Get a set of all restraints that take this particle as input
+  /** The dependency graph is used to properly account for indirect
+      relationships between a particle and a restraint (e.g. via a ScoreState).
+      The result is cached; the cache should be cleared whenever the
+      dependency graph changes.
+    */
+  const std::set<Restraint *> &get_dependent_restraints(ParticleIndex pi);
+
+  // clear when dependency graph changes, and/or
+  // particles/restraints added/removed
+  void clear() { cache_.clear(); }
+};
+
+//! Cache ScoreStates that change when a Particle moves
+class MovedParticlesScoreStateCache {
+  Model *m_;
+  typedef std::map<ParticleIndex, ScoreStatesTemp> CacheMap;
+  CacheMap cache_;
+
+public:
+  MovedParticlesScoreStateCache(Model *m) : m_(m) {}
+
+  //! Get a list of all ScoreStates affected by this particle
+  /** The list is a subset of ScoreStates that the given ScoringFunction
+      requires, that either take the particle as input/output or are marked
+      as always requiring evaluation (e.g. for logging).
+    */
+  const ScoreStatesTemp &get_affected_score_states(ParticleIndex pi,
+                                                   ScoringFunction *sf);
+
+  // clear when dependency graph changes, and/or
+  // particles/scorestates added/removed
+  void clear() { cache_.clear(); }
+};
+
+IMPKERNEL_END_INTERNAL_NAMESPACE
+
+#endif /* IMPKERNEL_INTERNAL_MOVED_PARTICLES_CACHE_H */
diff --git a/modules/kernel/src/ScoreState.cpp b/modules/kernel/src/ScoreState.cpp
index c97c4ff242..3cf96ebb0a 100644
--- a/modules/kernel/src/ScoreState.cpp
+++ b/modules/kernel/src/ScoreState.cpp
@@ -21,7 +21,7 @@ static const std::string str_before_evaluate("before_evaluate");
 static const std::string str_after_evaluate("after_evaluate");
 
 ScoreState::ScoreState(Model *m, std::string name)
-    : ModelObject(m, name), update_order_(-1) {}
+    : ModelObject(m, name), update_order_(-1), can_skip_(false) {}
 
 void ScoreState::before_evaluate() {
   IMP_OBJECT_LOG;
diff --git a/modules/kernel/src/ScoringFunction.cpp b/modules/kernel/src/ScoringFunction.cpp
index b11f6c0bb6..8621d187fd 100644
--- a/modules/kernel/src/ScoringFunction.cpp
+++ b/modules/kernel/src/ScoringFunction.cpp
@@ -42,7 +42,9 @@ ScoringFunction *get_null_scoring_function() {
 }
 
 ScoringFunction::ScoringFunction(Model *m, std::string name)
-    : ModelObject(m, name) {}
+    : ModelObject(m, name), moved_particles_cache_(m) {
+  moved_particles_cache_age_ = 0;
+}
 
 double ScoringFunction::evaluate_if_good(bool derivatives) {
   IMP_OBJECT_LOG;
@@ -66,17 +68,32 @@ double ScoringFunction::evaluate(bool derivatives) {
   return es_.score;
 }
 
+const ScoreStatesTemp& ScoringFunction::get_moved_required_score_states(
+                               const ParticleIndexes &moved_pis) {
+  if (moved_pis.size() == 1) {
+    // Clear cache if dependencies changed
+    unsigned dependencies_age = get_model()->get_dependencies_updated();
+    if (moved_particles_cache_age_ != dependencies_age) {
+      moved_particles_cache_age_ = dependencies_age;
+      moved_particles_cache_.clear();
+    }
+    return moved_particles_cache_.get_affected_score_states(
+                                              moved_pis[0], this);
+  } else {
+    set_has_required_score_states(true);
+    return get_required_score_states();
+  }
+}
+
 double ScoringFunction::evaluate_moved(bool derivatives,
                                        const ParticleIndexes &moved_pis) {
   IMP_OBJECT_LOG;
   set_was_used(true);
-  set_has_required_score_states(true);
   es_.score = 0;
   es_.good = true;
   const ScoreAccumulator sa = get_score_accumulator(derivatives);
-  // todo: only get ScoreStates that involve moved_pis?
-  do_add_score_and_derivatives_moved(sa, moved_pis,
-                                     get_required_score_states());
+  do_add_score_and_derivatives_moved(
+        sa, moved_pis, get_moved_required_score_states(moved_pis));
   return es_.score;
 }
 
@@ -85,13 +102,11 @@ double ScoringFunction::evaluate_moved_if_below(bool derivatives,
                                        double max) {
   IMP_OBJECT_LOG;
   set_was_used(true);
-  set_has_required_score_states(true);
   es_.score = 0;
   es_.good = true;
   const ScoreAccumulator sa = get_score_accumulator_if_below(derivatives, max);
-  // todo: only get ScoreStates that involve moved_pis?
-  do_add_score_and_derivatives_moved(sa, moved_pis,
-                                     get_required_score_states());
+  do_add_score_and_derivatives_moved(
+        sa, moved_pis, get_moved_required_score_states(moved_pis));
   return es_.score;
 }
 
@@ -99,13 +114,11 @@ double ScoringFunction::evaluate_moved_if_good(bool derivatives,
                                        const ParticleIndexes &moved_pis) {
   IMP_OBJECT_LOG;
   set_was_used(true);
-  set_has_required_score_states(true);
   es_.score = 0;
   es_.good = true;
   const ScoreAccumulator sa = get_score_accumulator_if_good(derivatives);
-  // todo: only get ScoreStates that involve moved_pis?
-  do_add_score_and_derivatives_moved(sa, moved_pis,
-                                     get_required_score_states());
+  do_add_score_and_derivatives_moved(
+        sa, moved_pis, get_moved_required_score_states(moved_pis));
   return es_.score;
 }
 
diff --git a/modules/kernel/src/dependency_graph.cpp b/modules/kernel/src/dependency_graph.cpp
index 1deb67bd39..0ceee13033 100644
--- a/modules/kernel/src/dependency_graph.cpp
+++ b/modules/kernel/src/dependency_graph.cpp
@@ -370,4 +370,10 @@ ScoreStatesTemp get_dependent_score_states(Model *m, ParticleIndex pi) {
   return do_get_dependent<ScoreState, ScoreStatesTemp>(cur);
 }
 
+ScoreStatesTemp get_required_score_states(Model *m, ParticleIndex pi) {
+  Particle *p = m->get_particle(pi);
+  p->set_has_required_score_states(true);
+  return p->get_required_score_states();
+}
+
 IMPKERNEL_END_NAMESPACE
diff --git a/modules/kernel/src/internal/moved_particles_cache.cpp b/modules/kernel/src/internal/moved_particles_cache.cpp
new file mode 100644
index 0000000000..c2707c7648
--- /dev/null
+++ b/modules/kernel/src/internal/moved_particles_cache.cpp
@@ -0,0 +1,67 @@
+/**
+ *  \file internal/moved_particles_cache.cpp
+ *  \brief Cache ModelObjects that change when a Particle moves
+
+ *
+ *  Copyright 2007-2021 IMP Inventors. All rights reserved.
+ */
+
+#include <IMP/internal/moved_particles_cache.h>
+#include <IMP/Model.h>
+#include <IMP/ScoreState.h>
+
+IMPKERNEL_BEGIN_INTERNAL_NAMESPACE
+
+//! Cache Restraints that change when a Particle moves
+const std::set<Restraint *> &
+MovedParticlesRestraintCache::get_dependent_restraints(ParticleIndex pi) {
+  CacheMap::const_iterator it = cache_.find(pi);
+  if (it == cache_.end()) {
+    RestraintsTemp rs = IMP::get_dependent_restraints(m_, pi);
+    std::set<Restraint *> rsset(rs.begin(), rs.end());
+    cache_[pi] = rsset;
+    it = cache_.find(pi);
+  }
+  return it->second;
+}
+
+namespace {
+class should_skip_score_state {
+  const std::set<ScoreState *> &needed_ss_;
+public:
+  should_skip_score_state(const std::set<ScoreState *> &needed_ss)
+       : needed_ss_(needed_ss) {}
+
+  bool operator()(const ScoreState *ss) {
+    return ss->get_can_skip()
+        && needed_ss_.find(const_cast<ScoreState *>(ss)) == needed_ss_.end();
+  }
+};
+}
+
+const ScoreStatesTemp&
+MovedParticlesScoreStateCache::get_affected_score_states(ParticleIndex pi,
+                                                         ScoringFunction *sf) {
+  CacheMap::const_iterator it = cache_.find(pi);
+  if (it == cache_.end()) {
+    sf->set_has_required_score_states(true);
+    ScoreStatesTemp allss = sf->get_required_score_states();
+    ScoreStatesTemp pssin = IMP::get_dependent_score_states(m_, pi);
+    // We should not be moving a particle that will just be overwritten by
+    // a ScoreState, but include these anyway to make sure the Model stays
+    // consistent
+    ScoreStatesTemp pssout = IMP::get_required_score_states(m_, pi);
+    std::set<ScoreState *> pss_set(pssin.begin(), pssin.end());
+    pss_set.insert(pssout.begin(), pssout.end());
+    // Remove any ScoreState that can be skipped and that
+    // doesn't affect the particle
+    allss.erase(std::remove_if(allss.begin(), allss.end(),
+                               should_skip_score_state(pss_set)),
+                allss.end());
+    cache_[pi] = allss;
+    it = cache_.find(pi);
+  }
+  return it->second;
+}
+
+IMPKERNEL_END_INTERNAL_NAMESPACE
diff --git a/modules/kernel/test/test_score_state.py b/modules/kernel/test/test_score_state.py
index 1dc49657c7..694954887e 100644
--- a/modules/kernel/test/test_score_state.py
+++ b/modules/kernel/test/test_score_state.py
@@ -8,13 +8,17 @@ class LoggingScoreState(IMP.ScoreState):
 
     """ScoreState that logs all calls"""
 
-    def __init__(self, m, log, inputs=[]):
+    def __init__(self, m, log, can_skip=False, inputs=[], outputs=[],
+                 suffix=''):
         IMP.ScoreState.__init__(self, m, "Logging%1%")
+        self.set_can_skip(can_skip)
         self.log = log
         self.inputs = inputs
+        self.outputs = outputs
+        self.suffix = suffix
 
     def do_before_evaluate(self):
-        self.log.append('update')
+        self.log.append('update' + self.suffix)
 
     def do_show(self, out):
         print("Hi")
@@ -23,7 +27,7 @@ def get_type_name(self):
         return "LoggingScoreState"
 
     def do_after_evaluate(self, accum):
-        self.log.append('after_evaluate')
+        self.log.append('after_evaluate' + self.suffix)
 
     def do_show(self, fh=sys.stdout):
         fh.write("LoggingScoreState")
@@ -35,7 +39,7 @@ def do_get_inputs(self):
         return self.inputs
 
     def do_get_outputs(self):
-        return []
+        return self.outputs
 
 
 class Tests(IMP.test.TestCase):
@@ -60,6 +64,53 @@ def test_get_dependent_score_states(self):
         self.assertEqual(IMP.get_dependent_score_states(m, p1), [ss1])
         self.assertEqual(IMP.get_dependent_score_states(m, p2), [])
 
+    def test_evaluate_moved(self):
+        """Test score state skipping in evaluate_moved()"""
+        m = IMP.Model()
+        p1 = IMP.Particle(m)
+        p2 = IMP.Particle(m)
+        p3 = IMP.Particle(m)
+        p4 = IMP.Particle(m)
+        p5 = IMP.Particle(m)
+        p6 = IMP.Particle(m)
+        log = []
+        s12 = LoggingScoreState(m, log, inputs=[p1], outputs=[p2],
+                                can_skip=True, suffix='s12')
+        s2 = LoggingScoreState(m, log, inputs=[p2], outputs=[p6],
+                               can_skip=True, suffix='s2')
+        s3 = LoggingScoreState(m, log, inputs=[p3], outputs=[p6],
+                               can_skip=True, suffix='s3')
+        noskip = LoggingScoreState(m, log, inputs=[p4], outputs=[p6],
+                                   can_skip=False, suffix='noskip')
+        r = IMP._ConstRestraint(m, [p1, p2, p3, p4, p5, p6], 1)
+        def assert_score_states(meth, exp_ss, *args):
+            del log[:]
+            meth(False, *args)
+            exp_states = sorted(s.suffix for s in exp_ss)
+            states = sorted(e[6:] for e in log if e.startswith('update'))
+            self.assertEqual(states, exp_states)
+
+        # Plain evaluate should call all ScoreStates
+        assert_score_states(r.evaluate, [noskip, s12, s2, s3])
+
+        # evaluate_moved with more than one particle should call all states
+        assert_score_states(r.evaluate_moved, [noskip, s12, s2, s3], [p1, p2])
+
+        # p1 is direct input for s12 and indirect for s2
+        assert_score_states(r.evaluate_moved, [noskip, s12, s2], [p1])
+
+        # p2 is input for s2 and output for s21
+        assert_score_states(r.evaluate_moved, [noskip, s12, s2], [p2])
+
+        # p3 is input for s3
+        assert_score_states(r.evaluate_moved, [noskip, s3], [p3])
+
+        # p4 is input for noskip
+        assert_score_states(r.evaluate_moved, [noskip], [p4])
+
+        # p5 does not affect any can_skip state
+        assert_score_states(r.evaluate_moved, [noskip], [p5])
+
 
 if __name__ == '__main__':
     IMP.test.main()

From f007f8c80dfad31c1f3503037909c169a280a945 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 19 Aug 2021 22:07:16 -0700
Subject: [PATCH 155/250] Skip rigid body update in MC if the body didn't move

When doing Monte Carlo using evaluate_moved(), skip
the time-consuming rigid body update ScoreState for
any mover that doesn't move that rigid body.
---
 modules/core/src/rigid_bodies.cpp                  |  3 ++-
 .../kernel/include/internal/ContainerConstraint.h  | 14 +++++++++-----
 2 files changed, 11 insertions(+), 6 deletions(-)

diff --git a/modules/core/src/rigid_bodies.cpp b/modules/core/src/rigid_bodies.cpp
index 6c88e5e983..8040f438fc 100644
--- a/modules/core/src/rigid_bodies.cpp
+++ b/modules/core/src/rigid_bodies.cpp
@@ -1047,7 +1047,8 @@ ParticlesTemp create_rigid_bodies(Model *m, unsigned int n,
     IMP_NEW(UpdateRigidBodyMembers, urbm, ());
     IMP_NEW(AccumulateRigidBodyDerivatives, arbd, ());
     Pointer<Constraint> c0 = IMP::internal::create_container_constraint(
-        urbm.get(), arbd.get(), list.get(), "rigid body positions %1%");
+        urbm.get(), arbd.get(), list.get(), "rigid body positions %1%",
+        true);
     m->add_score_state(c0);
     for (unsigned int i = 0; i < ret.size(); ++i) {
       m->add_attribute(get_rb_score_state_0_key(), ret[i]->get_index(), c0);
diff --git a/modules/kernel/include/internal/ContainerConstraint.h b/modules/kernel/include/internal/ContainerConstraint.h
index 173a096af1..917cbb9b57 100644
--- a/modules/kernel/include/internal/ContainerConstraint.h
+++ b/modules/kernel/include/internal/ContainerConstraint.h
@@ -27,7 +27,8 @@ class ContainerConstraint : public Constraint {
 
  public:
   ContainerConstraint(Before *before, After *after, Container *c,
-                      std::string name = "ContainerConstraint %1%");
+                      std::string name="ContainerConstraint %1%",
+                      bool can_skip=false);
 
   //! Apply this modifier to all the elements after an evaluate
   void set_after_evaluate_modifier(After *f) { af_ = f; }
@@ -78,22 +79,25 @@ class ContainerConstraint : public Constraint {
 template <class Before, class After, class Container>
 inline Constraint *create_container_constraint(Before *b, After *a,
                                                Container *c,
-                                               std::string name =
-                                                   std::string()) {
+                                               std::string name=std::string(),
+                                               bool can_skip=false) {
   if (name == std::string()) {
     if (b) name += " and  " + b->get_name();
     if (a) name += " and " + a->get_name();
   }
-  return new ContainerConstraint<Before, After, Container>(b, a, c, name);
+  return new ContainerConstraint<Before, After, Container>(b, a, c, name,
+                                                           can_skip);
 }
 
 template <class Before, class After, class C>
 ContainerConstraint<Before, After, C>::ContainerConstraint(Before *before,
                                                            After *after, C *c,
-                                                           std::string name)
+                                                           std::string name,
+                                                           bool can_skip)
     : Constraint(c->get_model(), name), c_(c) {
   if (before) f_ = before;
   if (after) af_ = after;
+  set_can_skip(can_skip);
 }
 
 template <class Before, class After, class C>

From 3242c97d0c9f0f71a7b36710b2d3683d8c2a7ccf Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 19 Aug 2021 23:31:51 -0700
Subject: [PATCH 156/250] Allow skip of rigid body & center of mass ScoreStates

---
 modules/atom/src/CenterOfMass.cpp             |  2 +-
 modules/core/src/CentroidOfRefined.cpp        |  4 +--
 modules/core/src/CoverRefined.cpp             |  2 +-
 modules/core/src/rigid_bodies.cpp             |  2 +-
 modules/kernel/include/decorator_macros.h     |  9 ++---
 .../kernel/include/internal/TupleConstraint.h | 33 ++++++++++++-------
 .../core/ClassnameConstraint.h                |  6 ++--
 7 files changed, 35 insertions(+), 23 deletions(-)

diff --git a/modules/atom/src/CenterOfMass.cpp b/modules/atom/src/CenterOfMass.cpp
index 042593cce7..027c0c091c 100644
--- a/modules/atom/src/CenterOfMass.cpp
+++ b/modules/atom/src/CenterOfMass.cpp
@@ -80,7 +80,7 @@ void CenterOfMass::show(std::ostream &out) const {
 //   }
 // IMP_REQUIRE_SEMICOLON_NAMESPACE;
 
-IMP_CONSTRAINT_DECORATOR_DEF(CenterOfMass);
+IMP_CONSTRAINT_DECORATOR_DEF(CenterOfMass, true);
 
 
 IMPATOM_END_NAMESPACE
diff --git a/modules/core/src/CentroidOfRefined.cpp b/modules/core/src/CentroidOfRefined.cpp
index feec96483c..eba61d8a13 100644
--- a/modules/core/src/CentroidOfRefined.cpp
+++ b/modules/core/src/CentroidOfRefined.cpp
@@ -87,7 +87,7 @@ ModelObjectsTemp CentroidOfRefined::do_get_outputs(
 IMP_SUMMARIZE_DECORATOR_DEF(Centroid, XYZ, XYZs,
                             (new CentroidOfRefined(ref, FloatKey(), // pre
                                                    XYZ::get_xyz_keys())),
-                            (new DerivativesToRefined(ref)) // post
-                            );
+                            (new DerivativesToRefined(ref)), // post
+                            false);
 
 IMPCORE_END_NAMESPACE
diff --git a/modules/core/src/CoverRefined.cpp b/modules/core/src/CoverRefined.cpp
index e0f0fbaf42..49acef0f29 100644
--- a/modules/core/src/CoverRefined.cpp
+++ b/modules/core/src/CoverRefined.cpp
@@ -44,5 +44,5 @@ void CoverRefined::apply_index(Model *m,
 
 IMP_SUMMARIZE_DECORATOR_DEF(Cover, XYZR, XYZs,
                             new CoverRefined(ref, 0),
-                            new DerivativesToRefined(ref));
+                            new DerivativesToRefined(ref), false);
 IMPCORE_END_NAMESPACE
diff --git a/modules/core/src/rigid_bodies.cpp b/modules/core/src/rigid_bodies.cpp
index 8040f438fc..e069b80f01 100644
--- a/modules/core/src/rigid_bodies.cpp
+++ b/modules/core/src/rigid_bodies.cpp
@@ -768,7 +768,7 @@ void RigidBody::setup_score_states() {
     IMP_NEW(AccumulateRigidBodyDerivatives, arbd, ());
     Pointer<Constraint> c0 = IMP::internal::create_tuple_constraint(
         urbm.get(), arbd.get(), get_particle(),
-        get_particle()->get_name() + " rigid body positions");
+        get_particle()->get_name() + " rigid body positions", true);
     get_model()->add_score_state(c0);
     get_model()->add_attribute(get_rb_score_state_0_key(), get_particle_index(),
                                c0);
diff --git a/modules/kernel/include/decorator_macros.h b/modules/kernel/include/decorator_macros.h
index e4e1663d9e..8a09e1645d 100644
--- a/modules/kernel/include/decorator_macros.h
+++ b/modules/kernel/include/decorator_macros.h
@@ -455,7 +455,7 @@
    and publicly getting that constraint. The constraint is added as a
    score state to the model.
  */
-#define IMP_CONSTRAINT_DECORATOR_DEF(Name)                                \
+#define IMP_CONSTRAINT_DECORATOR_DEF(Name, can_skip)                      \
   ObjectKey Name::get_constraint_key() {                                  \
     static ObjectKey ret(#Name " score state");                           \
     return ret;                                                           \
@@ -472,7 +472,8 @@
     } else {                                                            \
       Constraint* ss = new core::SingletonConstraint(                     \
           before, after, m, pi,                                           \
-          std::string(#Name "updater for ") + m->get_particle_name(pi));  \
+          std::string(#Name "updater for ") + m->get_particle_name(pi),   \
+          can_skip);                                                      \
       m->add_attribute(get_constraint_key(), pi, ss);                     \
       m->add_score_state(ss);                                             \
     }                                                                     \
@@ -555,7 +556,7 @@
 */
 #define IMP_SUMMARIZE_DECORATOR_DEF(Name, Parent, Members,                \
                                   create_pre_modifier,                  \
-                                  create_post_modifier)                 \
+                                  create_post_modifier, can_skip)       \
   void Name::do_setup_particle(Model *m, ParticleIndex pi,      \
                                const ParticleIndexes &pis) {            \
     Refiner *ref = new FixedRefiner(IMP::get_particles(m, pis)); \
@@ -576,6 +577,6 @@
     void Name::show(std::ostream &out) const {                          \
       out << #Name << " at " << static_cast<Parent>(*this);             \
     }                                                                   \
-      IMP_CONSTRAINT_DECORATOR_DEF(Name)
+      IMP_CONSTRAINT_DECORATOR_DEF(Name, can_skip)
 
 #endif /* IMPKERNEL_DECORATOR_MACROS_H */
diff --git a/modules/kernel/include/internal/TupleConstraint.h b/modules/kernel/include/internal/TupleConstraint.h
index 418f661562..db36fc2595 100644
--- a/modules/kernel/include/internal/TupleConstraint.h
+++ b/modules/kernel/include/internal/TupleConstraint.h
@@ -24,11 +24,13 @@ class TupleConstraint : public Constraint {
  public:
   TupleConstraint(Before *before, After *after,
                   const typename Before::Argument &vt,
-                  std::string name = "TupleConstraint %1%");
+                  std::string name = "TupleConstraint %1%",
+                  bool can_skip=false);
 
   TupleConstraint(Before *before, After *after, Model *m,
                   const typename Before::IndexArgument &vt,
-                  std::string name = "TupleConstraint %1%");
+                  std::string name = "TupleConstraint %1%",
+                  bool can_skip=false);
 
   //! Apply this modifier to all the elements after an evaluate
   void set_after_evaluate_modifier(After *f) { af_ = f; }
@@ -52,19 +54,21 @@ class TupleConstraint : public Constraint {
 template <class Before, class After>
 TupleConstraint<Before, After>::TupleConstraint(
     Before *before, After *after, const typename Before::Argument &vt,
-    std::string name)
+    std::string name, bool can_skip)
     : Constraint(internal::get_model(vt), name), v_(get_index(vt)) {
   if (before) f_ = before;
   if (after) af_ = after;
+  set_can_skip(can_skip);
 }
 
 template <class Before, class After>
 TupleConstraint<Before, After>::TupleConstraint(
     Before *before, After *after, Model *m,
-    const typename Before::IndexArgument &vt, std::string name)
+    const typename Before::IndexArgument &vt, std::string name, bool can_skip)
     : Constraint(m, name), v_(vt) {
   if (before) f_ = before;
   if (after) af_ = after;
+  set_can_skip(can_skip);
 }
 
 template <class Before, class After>
@@ -111,12 +115,13 @@ ModelObjectsTemp TupleConstraint<Before, After>::do_get_outputs() const {
 template <class Before, class After>
 inline Constraint *create_tuple_constraint(Before *b, After *a,
                                            const typename Before::Argument &t,
-                                           std::string name = std::string()) {
+                                           std::string name = std::string(),
+                                           bool can_skip=false) {
   if (name == std::string()) {
     if (b) name += " and  " + b->get_name();
     if (a) name += " and " + a->get_name();
   }
-  return new internal::TupleConstraint<Before, After>(b, a, t, name);
+  return new internal::TupleConstraint<Before, After>(b, a, t, name, can_skip);
 }
 
 #ifndef IMP_DOXYGEN
@@ -124,20 +129,24 @@ template <class Before, class After>
 inline Constraint *create_tuple_constraint(Pointer<Before> b,
                                            Pointer<After> a,
                                            const typename Before::Argument &t,
-                                           std::string name = std::string()) {
-  return create_tuple_constraint<Before, After>(b.get(), a.get(), t, name);
+                                           std::string name = std::string(),
+                                           bool can_skip=false) {
+  return create_tuple_constraint<Before, After>(b.get(), a.get(), t, name,
+                                                can_skip);
 }
 template <class Before, class After>
 inline Constraint *create_tuple_constraint(Before *b, Pointer<After> a,
                                            const typename Before::Argument &t,
-                                           std::string name = std::string()) {
-  return create_tuple_constraint<Before, After>(b, a.get(), t, name);
+                                           std::string name = std::string(),
+                                           bool can_skip=false) {
+  return create_tuple_constraint<Before, After>(b, a.get(), t, name, can_skip);
 }
 template <class Before, class After>
 inline Constraint *create_tuple_constraint(Pointer<Before> b, After *a,
                                            const typename Before::Argument &t,
-                                           std::string name = std::string()) {
-  return create_tuple_constraint<Before, After>(b.get(), a, t, name);
+                                           std::string name = std::string(),
+                                           bool can_skip=false) {
+  return create_tuple_constraint<Before, After>(b.get(), a, t, name, can_skip);
 }
 #endif
 
diff --git a/tools/build/container_templates/core/ClassnameConstraint.h b/tools/build/container_templates/core/ClassnameConstraint.h
index aba9ce06b8..4a3e0fa4a4 100644
--- a/tools/build/container_templates/core/ClassnameConstraint.h
+++ b/tools/build/container_templates/core/ClassnameConstraint.h
@@ -48,10 +48,12 @@ class ClassnameConstraint :
   ClassnameConstraint(ClassnameModifier *before,
                       ClassnameDerivativeModifier *after, Model *m,
                       PASSINDEXTYPE vt,
-                      std::string name = "ClassnameConstraint %1%")
+                      std::string name = "ClassnameConstraint %1%",
+                      bool can_skip=false)
       : IMP::internal::TupleConstraint<
             ClassnameModifier, ClassnameDerivativeModifier>(before, after, m,
-                                                            vt, name) {}
+                                                            vt, name,
+                                                            can_skip) {}
 
 #if defined(IMP_DOXYGEN) || defined(SWIG)
  protected:

From 1dc116c82b11dba00c0c4f9f9e1b450113832efd Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 20 Aug 2021 09:46:09 -0700
Subject: [PATCH 157/250] Add missing header to fix per-cpp build

---
 modules/kernel/include/internal/moved_particles_cache.h | 1 +
 1 file changed, 1 insertion(+)

diff --git a/modules/kernel/include/internal/moved_particles_cache.h b/modules/kernel/include/internal/moved_particles_cache.h
index 295483dbc5..06776538d7 100644
--- a/modules/kernel/include/internal/moved_particles_cache.h
+++ b/modules/kernel/include/internal/moved_particles_cache.h
@@ -12,6 +12,7 @@
 #include <IMP/kernel_config.h>
 #include <IMP/base_types.h>
 #include <IMP/dependency_graph.h>
+#include <IMP/ScoreState.h>
 
 IMPKERNEL_BEGIN_INTERNAL_NAMESPACE
 

From 098f92020c293218090783f752c08dc312bbf077 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 20 Aug 2021 09:50:38 -0700
Subject: [PATCH 158/250] Un-deprecate dependency graph functions

These functions are currently used in too many
places to easily remove.
---
 modules/kernel/include/dependency_graph.h | 6 ------
 modules/kernel/src/dependency_graph.cpp   | 4 ----
 2 files changed, 10 deletions(-)

diff --git a/modules/kernel/include/dependency_graph.h b/modules/kernel/include/dependency_graph.h
index 5c623ee445..1026688907 100644
--- a/modules/kernel/include/dependency_graph.h
+++ b/modules/kernel/include/dependency_graph.h
@@ -51,16 +51,10 @@ IMPKERNELEXPORT DependencyGraph get_dependency_graph(Model *m);
 */
 IMPKERNELEXPORT DependencyGraph get_pruned_dependency_graph(Model *m);
 
-/** \deprecated_at{2.1} You should act directly on the ModelObjects instead. */
-IMPKERNEL_DEPRECATED_FUNCTION_DECL(2.1)
 IMPKERNELEXPORT ScoreStatesTemp
     get_required_score_states(ModelObject *p, const ModelObjectsTemp &all,
                               const DependencyGraph &dg,
                               const DependencyGraphVertexIndex &index);
-/** @} */
-
-/** \deprecated_at{2.1} You should act directly on the ModelObjects instead. */
-IMPKERNEL_DEPRECATED_FUNCTION_DECL(2.1)
 IMPKERNELEXPORT ParticlesTemp
     get_dependent_particles(ModelObject *p, const ModelObjectsTemp &all,
                             const DependencyGraph &dg,
diff --git a/modules/kernel/src/dependency_graph.cpp b/modules/kernel/src/dependency_graph.cpp
index 0ceee13033..67944c245e 100644
--- a/modules/kernel/src/dependency_graph.cpp
+++ b/modules/kernel/src/dependency_graph.cpp
@@ -92,8 +92,6 @@ ParticlesTemp get_dependent_particles(ModelObject *p,
                                       const ModelObjectsTemp &all,
                                       const DependencyGraph &dg,
                                       const DependencyGraphVertexIndex &index) {
-  IMPKERNEL_DEPRECATED_FUNCTION_DEF(
-           2.1, "You should act directly on the ModelObjects instead.");
   return get_dependent<ParticlesTemp, Particle, false>(
       ModelObjectsTemp(1, p), all, dg, index);
 }
@@ -101,8 +99,6 @@ ParticlesTemp get_dependent_particles(ModelObject *p,
 ScoreStatesTemp get_required_score_states(
     ModelObject *p, const ModelObjectsTemp &all, const DependencyGraph &dg,
     const DependencyGraphVertexIndex &index) {
-  IMPKERNEL_DEPRECATED_FUNCTION_DEF(
-           2.1, "You should act directly on the ModelObjects instead.");
   return get_dependent<ScoreStatesTemp, ScoreState, true>(
       ModelObjectsTemp(1, p), all, dg, index);
 }

From 7106d8d97632431a2682d7deaded33569cd0b5c6 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 20 Aug 2021 09:59:22 -0700
Subject: [PATCH 159/250] Get latest npctransport

---
 modules/npctransport | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/npctransport b/modules/npctransport
index c34d7e0d36..43f9923d97 160000
--- a/modules/npctransport
+++ b/modules/npctransport
@@ -1 +1 @@
-Subproject commit c34d7e0d3647a7b9e4a3fa23092148045c227e5c
+Subproject commit 43f9923d97c6ac873b057ce251b65fa0aa3561a8

From dd433b4bf4d079103a1a1c81ff86482e118c28e2 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 20 Aug 2021 14:43:31 -0700
Subject: [PATCH 160/250] Squashed 'modules/pmi/' changes from
 a1a4d08e45..7698672cd0

7698672cd0 Support MonteCarlo score_moved mode
e624893a1d Set sensible names for particles and movers
02c2a9a665 Don't hardcode FloatKeys for ICs, velocities

git-subtree-dir: modules/pmi
git-subtree-split: 7698672cd01b903ce57f56e28fdcaf37e55ad2cc
---
 modules/pmi/pyext/src/dof/__init__.py               | 10 +++-------
 modules/pmi/pyext/src/macros.py                     | 13 ++++++++++---
 modules/pmi/pyext/src/samplers.py                   |  9 +++++++--
 modules/pmi/test/expensive_test_replica_exchange.py |  3 ++-
 4 files changed, 22 insertions(+), 13 deletions(-)

diff --git a/modules/pmi/pyext/src/dof/__init__.py b/modules/pmi/pyext/src/dof/__init__.py
index 79d86103ae..621a864115 100644
--- a/modules/pmi/pyext/src/dof/__init__.py
+++ b/modules/pmi/pyext/src/dof/__init__.py
@@ -177,7 +177,7 @@ def create_rigid_body(self, rigid_parts, nonrigid_parts=None,
             self.movers_particles_map[rb_mover] += IMP.atom.get_leaves(h)
         # setup nonrigid parts
         if nr_hiers:
-            floatkeys = [IMP.FloatKey(4), IMP.FloatKey(5), IMP.FloatKey(6)]
+            floatkeys = IMP.core.RigidBodyMember.get_internal_coordinate_keys()
             for h in nr_hiers:
                 self.flexible_beads.append(h)
                 p = h.get_particle()
@@ -299,6 +299,7 @@ def _setup_srb(self, hiers, max_trans, max_rot, axis):
         else:
             srbm = IMP.pmi.TransformMover(
                 hiers[0][0].get_model(), axis[0], axis[1], max_trans, max_rot)
+        srbm.set_name("Super rigid body transform mover")
         srbm.set_was_used(True)
         super_rigid_rbs, super_rigid_xyzs \
             = IMP.pmi.tools.get_rbs_and_beads(hiers)
@@ -381,9 +382,6 @@ def setup_md(self, hspec):
                or a list/set (of list/set) of them.
                Must be uniform input, however. No mixing object types.
         """
-        vxkey = IMP.FloatKey('vx')
-        vykey = IMP.FloatKey('vy')
-        vzkey = IMP.FloatKey('vz')
         hiers = IMP.pmi.tools.input_adaptor(hspec, flatten=True)
         model = hiers[0].get_model()
         all_ps = []
@@ -392,9 +390,7 @@ def setup_md(self, hspec):
                 p = h.get_particle()
                 pxyz = IMP.core.XYZ(model, p.get_index())
                 pxyz.set_coordinates_are_optimized(True)
-                model.add_attribute(vxkey, p.get_index(), 0.0)
-                model.add_attribute(vykey, p.get_index(), 0.0)
-                model.add_attribute(vzkey, p.get_index(), 0.0)
+                IMP.atom.LinearVelocity.setup_particle(p, [0., 0., 0.])
                 all_ps.append(p)
         return all_ps
 
diff --git a/modules/pmi/pyext/src/macros.py b/modules/pmi/pyext/src/macros.py
index 9e9bebda2c..7ff3111521 100644
--- a/modules/pmi/pyext/src/macros.py
+++ b/modules/pmi/pyext/src/macros.py
@@ -100,7 +100,8 @@ def __init__(self, model, root_hier,
                  em_object_for_rmf=None,
                  atomistic=False,
                  replica_exchange_object=None,
-                 test_mode=False):
+                 test_mode=False,
+                 score_moved=False):
         """Constructor.
            @param model The IMP model
            @param root_hier Top-level (System)hierarchy
@@ -158,6 +159,9 @@ def __init__(self, model, root_hier,
                   output.
            @param test_mode Set to True to avoid writing any files, just test
                   one frame.
+           @param score_moved   If True, attempt to speed up Monte Carlo
+                  sampling by caching scoring function terms on particles
+                  that didn't move.
         """
         self.model = model
         self.vars = {}
@@ -245,6 +249,7 @@ def __init__(self, model, root_hier,
         self.vars["replica_stat_file_suffix"] = replica_stat_file_suffix
         self.vars["geometries"] = None
         self.test_mode = test_mode
+        self.score_moved = score_moved
 
     def add_geometries(self, geometries):
         if self.vars["geometries"] is None:
@@ -299,7 +304,8 @@ def execute_macro(self):
             print("Setting up MonteCarlo")
             sampler_mc = IMP.pmi.samplers.MonteCarlo(
                 self.model, self.monte_carlo_sample_objects,
-                self.vars["monte_carlo_temperature"])
+                self.vars["monte_carlo_temperature"],
+                score_moved=self.score_moved)
             if self.vars["simulated_annealing"]:
                 tmin = self.vars["simulated_annealing_minimum_temperature"]
                 tmax = self.vars["simulated_annealing_maximum_temperature"]
@@ -804,7 +810,8 @@ def execute_macro(self, max_rb_trans=4.0, max_rb_rot=0.04,
                                            nonrigid_parts=bead_res,
                                            max_trans=max_rb_trans,
                                            max_rot=max_rb_rot,
-                                           nonrigid_max_trans=max_bead_trans)
+                                           nonrigid_max_trans=max_bead_trans,
+                                           name="RigidBody %s" % dname)
 
             # if you have any domains not in an RB, set them as flexible beads
             for dname, domain in self._domains[nstate].items():
diff --git a/modules/pmi/pyext/src/samplers.py b/modules/pmi/pyext/src/samplers.py
index 5e1fb459eb..fbc7163d67 100644
--- a/modules/pmi/pyext/src/samplers.py
+++ b/modules/pmi/pyext/src/samplers.py
@@ -54,12 +54,15 @@ class MonteCarlo(object):
     except ImportError:
         isd_available = False
 
-    def __init__(self, model, objects=None, temp=1.0, filterbyname=None):
+    def __init__(self, model, objects=None, temp=1.0, filterbyname=None,
+                 score_moved=False):
         """Setup Monte Carlo sampling
         @param model         The IMP Model
         @param objects       What to sample. Use flat list of particles
         @param temp The MC temperature
         @param filterbyname Not used
+        @param score_moved   If True, attempt to speed up sampling by
+               caching scoring function terms on particles that didn't move
         """
         self.losp = [
             "Rigid_Bodies",
@@ -157,6 +160,7 @@ def __init__(self, model, objects=None, temp=1.0, filterbyname=None):
         self.mc = IMP.core.MonteCarlo(self.model)
         self.mc.set_scoring_function(get_restraint_set(self.model))
         self.mc.set_return_best(False)
+        self.mc.set_score_moved(score_moved)
         self.mc.set_kt(self.temp)
         self.mc.add_mover(self.smv)
 
@@ -314,7 +318,8 @@ def get_floppy_body_movers(self, fbs, maxtrans):
             # check is that is a rigid body member:
             if IMP.core.NonRigidMember.get_is_setup(fb):
                 # if so force the particles to move anyway
-                floatkeys = [IMP.FloatKey(4), IMP.FloatKey(5), IMP.FloatKey(6)]
+                floatkeys = \
+                    IMP.core.RigidBodyMember.get_internal_coordinate_keys()
                 for fk in floatkeys:
                     fb.set_is_optimized(fk, True)
                 mvs.append(
diff --git a/modules/pmi/test/expensive_test_replica_exchange.py b/modules/pmi/test/expensive_test_replica_exchange.py
index 8c417b5478..932e7be030 100644
--- a/modules/pmi/test/expensive_test_replica_exchange.py
+++ b/modules/pmi/test/expensive_test_replica_exchange.py
@@ -202,7 +202,8 @@ def test_macro_rmf_stat(self):
                       best_pdb_dir="pdbs/",
                       replica_stat_file_suffix="stat_replica",
                       em_object_for_rmf=None,
-                      replica_exchange_object=None)
+                      replica_exchange_object=None,
+                      score_moved=True)
 
         # check whether the directory is existing, in case remove it
         try:

From a548cd29f6934cdb1d81d12227e92040fbda23aa Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 20 Aug 2021 16:15:35 -0700
Subject: [PATCH 161/250] Document recent changes

---
 ChangeLog.md | 8 ++++++++
 1 file changed, 8 insertions(+)

diff --git a/ChangeLog.md b/ChangeLog.md
index dccecfffc9..691c2f8a5a 100644
--- a/ChangeLog.md
+++ b/ChangeLog.md
@@ -13,6 +13,14 @@ ChangeLog {#changelog}
 - IMP::pmi now handles MSE (selenomethionine) residues in input structures;
   structure is read for such residues and they are considered equivalent to
   regular MET in the FASTA sequence.
+- Scoring function evaluation can now be done more efficiently in some cases
+  by using information on which particles have moved since the last evaluation.
+  This behavior can be turned on (by default it is off) using
+  IMP::core::MonteCarlo::set_score_moved() or by setting the `score_moved`
+  parameter to IMP::pmi::macros::ReplicaExchange0.
+- The orientation-dependent scoring function IMP::score_functor::OrientedSoap
+  now caches the system topology and so should be roughly twice as fast in
+  typical applications.
 - The deprecated methods
   IMP::{Singleton,Pair,Triplet,Quad}Predicate::get_value() have been removed.
   Use the get_value_index() methods instead.

From a8b689b6f933a07b8ceabaea31db2f08bd329b41 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 20 Aug 2021 19:29:54 -0700
Subject: [PATCH 162/250] Allow fragments in get_next/previous_residue

Expand the behavior of get_next_residue() and
get_previous_residue() so that they no longer
require that the Residue's immediate parent is
a Chain, only that a Chain is somewhere above
in the hierarchy. This should allow the functions
to work if the residues are in an intervening
Fragment, for example. Closes #933.
---
 modules/atom/include/Residue.h                |  3 --
 modules/atom/src/Residue.cpp                  | 22 +++++-----
 .../atom/test/test_hierarchy_navigation.py    | 44 +++++++++++++++++++
 3 files changed, 54 insertions(+), 15 deletions(-)

diff --git a/modules/atom/include/Residue.h b/modules/atom/include/Residue.h
index f13ab5400c..6b1bf29425 100644
--- a/modules/atom/include/Residue.h
+++ b/modules/atom/include/Residue.h
@@ -221,9 +221,6 @@ IMP_DECORATORS(Residue, Residues, Hierarchies);
 /** If no such residue exists, return Hierarchy().
 
     \see Residue
-    \note Currently, this function only works if
-    the parent of rd is the chain. This should be fixed
-    later. Ask if you need it.
 
     The return type is Hierarchy since the particle
     representing the next residue might not
diff --git a/modules/atom/src/Residue.cpp b/modules/atom/src/Residue.cpp
index e67f652a04..11f37d5495 100644
--- a/modules/atom/src/Residue.cpp
+++ b/modules/atom/src/Residue.cpp
@@ -109,23 +109,21 @@ TriggerKey Residue::get_type_changed_key() {
 }
 
 Hierarchy get_next_residue(Residue rd) {
-  // only handle simple case so far
   Hierarchy p = rd.get_parent();
-  /*if (!p.get_as_chain()) {
-    IMP_NOT_IMPLEMENTED("get_next_residue() only handles the simple case"
-                        << " so far. Complain about it.");
-                        }*/
-  IMP_USAGE_CHECK(Chain::get_is_setup(p),
-                  "Parent of residue must be a chain. It is not.");
-  Hierarchy r = get_residue(Chain(p), rd.get_index() + 1);
-  return r;
+  while (p && !Chain::get_is_setup(p)) {
+    p = p.get_parent();
+  }
+  IMP_USAGE_CHECK(p, "Parent of residue must be a chain. It is not.");
+  return get_residue(Chain(p), rd.get_index() + 1);
 }
 
 Hierarchy get_previous_residue(Residue rd) {
-  // only handle simple case so far
   Hierarchy p = rd.get_parent();
-  Hierarchy r = get_residue(Chain(p), rd.get_index() - 1);
-  return r;
+  while (p && !Chain::get_is_setup(p)) {
+    p = p.get_parent();
+  }
+  IMP_USAGE_CHECK(p, "Parent of residue must be a chain. It is not.");
+  return get_residue(Chain(p), rd.get_index() - 1);
 }
 
 namespace {
diff --git a/modules/atom/test/test_hierarchy_navigation.py b/modules/atom/test/test_hierarchy_navigation.py
index 05fbcc34a2..6dd9640411 100644
--- a/modules/atom/test/test_hierarchy_navigation.py
+++ b/modules/atom/test/test_hierarchy_navigation.py
@@ -15,5 +15,49 @@ def test_read(self):
         res = IMP.atom.get_by_type(mp, IMP.atom.RESIDUE_TYPE)
         nres = IMP.atom.get_next_residue(IMP.atom.Residue(res[0]))
 
+    @IMP.test.skipIf(IMP.get_check_level() < IMP.USAGE,
+                     "No check in fast mode")
+    def test_no_chain(self):
+        """Check failure when Residue has no Chain parent"""
+        m = IMP.Model()
+        p = IMP.Particle(m)
+        r = IMP.atom.Residue.setup_particle(m, p, IMP.atom.GLY, 42)
+        self.assertRaises(IMP.UsageException, IMP.atom.get_next_residue, r)
+        self.assertRaises(IMP.UsageException, IMP.atom.get_previous_residue, r)
+
+    def test_fragment(self):
+        """Check finding next/previous residue in more complex hierarchy"""
+        m = IMP.Model()
+        # should work for residues that are direct children of chain, or
+        # children of fragments
+        chain = IMP.atom.Chain.setup_particle(IMP.Particle(m), 'A')
+        frag1 = IMP.atom.Fragment.setup_particle(IMP.Particle(m))
+        frag2 = IMP.atom.Fragment.setup_particle(IMP.Particle(m))
+        r3 = IMP.atom.Residue.setup_particle(IMP.Particle(m), IMP.atom.GLY, 3)
+        r4 = IMP.atom.Residue.setup_particle(IMP.Particle(m), IMP.atom.GLY, 4)
+        r5 = IMP.atom.Residue.setup_particle(IMP.Particle(m), IMP.atom.GLY, 5)
+        r6 = IMP.atom.Residue.setup_particle(IMP.Particle(m), IMP.atom.GLY, 6)
+        h = IMP.atom.Hierarchy(chain)
+        for c in [r3, frag1, frag2]:
+            h.add_child(c)
+        IMP.atom.Hierarchy(frag1).add_child(r4)
+        IMP.atom.Hierarchy(frag1).add_child(r5)
+        IMP.atom.Hierarchy(frag2).add_child(r6)
+        def assert_residue_index(func, start_res, exp_index):
+            r = func(start_res)
+            self.assertTrue(IMP.atom.Residue.get_is_setup(r))
+            self.assertEqual(IMP.atom.Residue(r).get_index(), exp_index)
+
+        assert_residue_index(IMP.atom.get_next_residue, r3, 4)
+        assert_residue_index(IMP.atom.get_next_residue, r4, 5)
+        assert_residue_index(IMP.atom.get_next_residue, r5, 6)
+        self.assertFalse(IMP.atom.get_next_residue(r6))
+
+        self.assertFalse(IMP.atom.get_previous_residue(r3))
+        assert_residue_index(IMP.atom.get_previous_residue, r4, 3)
+        assert_residue_index(IMP.atom.get_previous_residue, r5, 4)
+        assert_residue_index(IMP.atom.get_previous_residue, r6, 5)
+
+
 if __name__ == '__main__':
     IMP.test.main()

From 7e0c97d3b9e228b72048ed16d070751fc1dae160 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 24 Aug 2021 11:27:38 -0700
Subject: [PATCH 163/250] Add method to teardown CenterOfMass

Add a CenterOfMass::teardown_particle() method which
stops the center of mass particle from getting updated
(by removing the corresponding ScoreState). After this
is done, the particle can safely be removed if desired.
---
 modules/atom/include/CenterOfMass.h      |  3 +++
 modules/atom/src/CenterOfMass.cpp        |  3 +++
 modules/atom/test/test_center_of_mass.py | 33 ++++++++++++++++++++++++
 3 files changed, 39 insertions(+)
 create mode 100644 modules/atom/test/test_center_of_mass.py

diff --git a/modules/atom/include/CenterOfMass.h b/modules/atom/include/CenterOfMass.h
index 65fe8ec33c..2f2d2baab7 100644
--- a/modules/atom/include/CenterOfMass.h
+++ b/modules/atom/include/CenterOfMass.h
@@ -92,6 +92,9 @@ class IMPATOMEXPORT CenterOfMass : public IMP::Decorator {
     */
     IMP_DECORATOR_SETUP_1(CenterOfMass, Refiner *, refiner);
 
+    //! Make the particle no longer a center of mass.
+    static void teardown_particle(CenterOfMass com);
+
     static bool get_is_setup(Model *m, ParticleIndex pi) {
       return m->get_has_attribute(get_constraint_key(), pi) &&
         IMP::atom::Mass::get_is_setup(m, pi) &&
diff --git a/modules/atom/src/CenterOfMass.cpp b/modules/atom/src/CenterOfMass.cpp
index 027c0c091c..6347b7b1ca 100644
--- a/modules/atom/src/CenterOfMass.cpp
+++ b/modules/atom/src/CenterOfMass.cpp
@@ -48,6 +48,9 @@ void CenterOfMass::do_setup_particle(Model *m, ParticleIndex pi,
   set_constraint(pre_mod, post_mod, m, pi);
 }
 
+void CenterOfMass::teardown_particle(CenterOfMass com) {
+  set_constraint(nullptr, nullptr, com.get_model(), com.get_particle_index());
+}
 
 void CenterOfMass::show(std::ostream &out) const {
   core::XYZ xyz(get_particle());
diff --git a/modules/atom/test/test_center_of_mass.py b/modules/atom/test/test_center_of_mass.py
new file mode 100644
index 0000000000..4dac6348da
--- /dev/null
+++ b/modules/atom/test/test_center_of_mass.py
@@ -0,0 +1,33 @@
+import IMP
+import IMP.test
+import IMP.atom
+
+
+class Tests(IMP.test.TestCase):
+
+    def test_removal(self):
+        """Check removal of CenterOfMass decorator"""
+        m = IMP.Model()
+        p1 = IMP.Particle(m)
+        xyz1 = IMP.core.XYZ.setup_particle(p1, [0, 0, 0])
+        mass1 = IMP.atom.Mass.setup_particle(p1, 1.0)
+
+        p2 = IMP.Particle(m)
+        com = IMP.atom.CenterOfMass.setup_particle(p2, [p1])
+        # Should be a ScoreState to update COM
+        self.assertEqual(len(m.get_score_states()), 1)
+        self.assertEqual(len(m.get_particle_indexes()), 2)
+
+        # Remove decorator and ScoreState
+        IMP.atom.CenterOfMass.teardown_particle(com)
+        self.assertEqual(len(m.get_score_states()), 0)
+        m.update()
+
+        # It should now be OK to remove the particle too
+        m.remove_particle(p2)
+        self.assertEqual(len(m.get_particle_indexes()), 1)
+        m.update()
+
+
+if __name__ == '__main__':
+    IMP.test.main()

From 135bf1f01ccbe2d93c24d7d9699ce22702195678 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 24 Aug 2021 14:54:44 -0700
Subject: [PATCH 164/250] Squashed 'modules/pmi/' changes from
 7698672cd0..0e83ae4d9c

0e83ae4d9c Don't confuse Python 2 with UTF8 in source
027a975345 Link to PMI paper
0988a9af2d Add citations for software to mmCIF output

git-subtree-dir: modules/pmi
git-subtree-split: 0e83ae4d9cc413069c20e8fee17dcaaf7317b515
---
 modules/pmi/README.md          |  1 +
 modules/pmi/pyext/src/mmcif.py | 68 ++++++++++++++++++++++++++++------
 2 files changed, 57 insertions(+), 12 deletions(-)

diff --git a/modules/pmi/README.md b/modules/pmi/README.md
index e08c8e0716..b4427c9057 100644
--- a/modules/pmi/README.md
+++ b/modules/pmi/README.md
@@ -56,3 +56,4 @@ version 2 of the License, or (at your option) any later version.
 
 _Publications_:
  - See [main IMP papers list](@ref publications).
+ - D. Saltzberg, C. H Greenberg, S. Viswanath, I. Chemmama, B. Webb, R. Pellarin, I. Echeverria, A. Sali. ["Modeling Biological Complexes Using Integrative Modeling Platform", Methods Mol Biol 2022, 2019](https://pubmed.ncbi.nlm.nih.gov/31396911/).
diff --git a/modules/pmi/pyext/src/mmcif.py b/modules/pmi/pyext/src/mmcif.py
index bedeaf8245..9944545679 100644
--- a/modules/pmi/pyext/src/mmcif.py
+++ b/modules/pmi/pyext/src/mmcif.py
@@ -133,29 +133,73 @@ def __init__(self, system):
                  classification="integrative model building",
                  description="integrative model building",
                  location='https://integrativemodeling.org')
+        # Only recent versions of python-ihm support adding citations for
+        # software
+        if hasattr(self.imp, 'citation'):
+            if sys.version_info[0] > 2:
+                # Don't include UTF8 characters in source; it confuses Python 2
+                javi = 'Vel\u00e1zquez-Muriel J'
+            else:
+                javi = 'Velazquez-Muriel J'
+            self.imp.citation = ihm.Citation(
+                pmid='22272186',
+                title='Putting the pieces together: integrative modeling '
+                      'platform software for structure determination of '
+                      'macromolecular assemblies',
+                journal='PLoS Biol', volume=10, page_range='e1001244',
+                year=2012,
+                authors=['Russel D', 'Lasker K', 'Webb B', javi, 'Tjioe E',
+                         'Schneidman-Duhovny D', 'Peterson B', 'Sali A'],
+                doi='10.1371/journal.pbio.1001244')
+            self.pmi.citation = ihm.Citation(
+                pmid='31396911',
+                title='Modeling Biological Complexes Using Integrative '
+                      'Modeling Platform.',
+                journal='Methods Mol Biol', volume=2022, page_range=(353, 377),
+                year=2019,
+                authors=['Saltzberg D', 'Greenberg CH', 'Viswanath S',
+                         'Chemmama I', 'Webb B', 'Pellarin R', 'Echeverria I',
+                         'Sali A'],
+                doi='10.1007/978-1-4939-9608-7_15')
         self.system.software.extend([self.pmi, self.imp])
 
     def set_modeller_used(self, version, date):
         if self.modeller_used:
             return
         self.modeller_used = True
-        self.system.software.append(ihm.Software(
-                    name='MODELLER', classification='comparative modeling',
-                    description='Comparative modeling by satisfaction '
-                                'of spatial restraints, build ' + date,
-                    location='https://salilab.org/modeller/',
-                    version=version))
+        s = ihm.Software(
+            name='MODELLER', classification='comparative modeling',
+            description='Comparative modeling by satisfaction '
+                        'of spatial restraints, build ' + date,
+            location='https://salilab.org/modeller/', version=version)
+        self.system.software.append(s)
+        if hasattr(s, 'citation'):
+            s.citation = ihm.Citation(
+                pmid='8254673',
+                title='Comparative protein modelling by satisfaction of '
+                      'spatial restraints.',
+                journal='J Mol Biol', volume=234, page_range=(779, 815),
+                year=1993, authors=['Sali A', 'Blundell TL'],
+                doi='10.1006/jmbi.1993.1626')
 
     def set_phyre2_used(self):
         if self.phyre2_used:
             return
         self.phyre2_used = True
-        self.system.software.append(ihm.Software(
-                   name='Phyre2', classification='protein homology modeling',
-                   description='Protein Homology/analogY Recognition '
-                               'Engine V 2.0',
-                   version='2.0',
-                   location='http://www.sbg.bio.ic.ac.uk/~phyre2/'))
+        s = ihm.Software(
+            name='Phyre2', classification='protein homology modeling',
+            description='Protein Homology/analogY Recognition Engine V 2.0',
+            version='2.0', location='http://www.sbg.bio.ic.ac.uk/~phyre2/')
+        if hasattr(s, 'citation'):
+            s.citation = ihm.Citation(
+                pmid='25950237',
+                title='The Phyre2 web portal for protein modeling, '
+                      'prediction and analysis.',
+                journal='Nat Protoc', volume=10, page_range=(845, 858),
+                authors=['Kelley LA', 'Mezulis S', 'Yates CM', 'Wass MN',
+                         'Sternberg MJ'],
+                year=2015, doi='10.1038/nprot.2015.053')
+        self.system.software.append(s)
 
 
 def _get_fragment_is_rigid(fragment):

From aeee47647bf894d53a488e0383bc710eb2533974 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 24 Aug 2021 14:54:51 -0700
Subject: [PATCH 165/250] Squashed 'modules/core/dependency/python-ihm/'
 changes from 6931237c47..f09c025bb6

f09c025bb6 Don't include software authors in audit_authors
fec3588a1a Output citations before software
4a1b458bc3 Allow specifying a citation for software

git-subtree-dir: modules/core/dependency/python-ihm
git-subtree-split: f09c025bb688b5d954c92b2b2ad538f2b6982fd9
---
 .../dependency/python-ihm/ihm/__init__.py     | 10 ++++++--
 .../core/dependency/python-ihm/ihm/dumper.py  | 14 +++++++----
 .../core/dependency/python-ihm/ihm/reader.py  |  3 ++-
 .../dependency/python-ihm/test/test_dumper.py | 25 ++++++++++++++++---
 .../dependency/python-ihm/test/test_main.py   | 19 ++++++++++++--
 .../dependency/python-ihm/test/test_reader.py | 22 ++++++++++++++--
 6 files changed, 78 insertions(+), 15 deletions(-)

diff --git a/modules/core/dependency/python-ihm/ihm/__init__.py b/modules/core/dependency/python-ihm/ihm/__init__.py
index e6a3335a52..1a3c741e13 100644
--- a/modules/core/dependency/python-ihm/ihm/__init__.py
+++ b/modules/core/dependency/python-ihm/ihm/__init__.py
@@ -507,6 +507,8 @@ def _all_citations(self):
            Duplicates are filtered out."""
         return _remove_identical(itertools.chain(
             self.citations,
+            (software.citation for software in self._all_software()
+             if software.citation),
             (restraint.fitting_method_citation_id
              for restraint in self._all_restraints()
              if hasattr(restraint, 'fitting_method_citation_id')
@@ -548,6 +550,8 @@ class Software(object):
        :param str location: Place where the software can be found (e.g. URL).
        :param str type: Type of software (program/package/library/other).
        :param str version: The version used.
+       :param citation: Publication describing the software.
+       :type citation: :class:`Citation`
 
        Generally these objects are added to :attr:`System.software` or
        passed to :class:`ihm.startmodel.StartingModel`,
@@ -556,13 +560,14 @@ class Software(object):
        :class:`ihm.restraint.PredictedContactResstraint` objects.
     """
     def __init__(self, name, classification, description, location,
-                 type='program', version=None):
+                 type='program', version=None, citation=None):
         self.name = name
         self.classification = classification
         self.description = description
         self.location = location
         self.type = type
         self.version = version
+        self.citation = citation
 
     # Software compares equal if the names and versions are the same
     def _eq_vals(self):
@@ -596,7 +601,8 @@ class Citation(object):
     """A publication that describes the modeling.
 
        Generally citations are added to :attr:`System.citations` or
-       passed to :class:`ihm.restraint.EM3DRestraint` objects.
+       passed to :class:`ihm.Software` or
+       :class:`ihm.restraint.EM3DRestraint` objects.
 
        :param str pmid: The PubMed ID.
        :param str title: Full title of the publication.
diff --git a/modules/core/dependency/python-ihm/ihm/dumper.py b/modules/core/dependency/python-ihm/ihm/dumper.py
index db1ba7d5d4..26bb304b56 100644
--- a/modules/core/dependency/python-ihm/ihm/dumper.py
+++ b/modules/core/dependency/python-ihm/ihm/dumper.py
@@ -113,12 +113,14 @@ def dump(self, system, writer):
         # Software class)
         with writer.loop("_software",
                          ["pdbx_ordinal", "name", "classification",
-                          "description", "version", "type", "location"]) as lp:
+                          "description", "version", "type", "location",
+                          "citation_id"]) as lp:
             for s in self._software_by_id:
                 lp.write(pdbx_ordinal=s._id, name=s.name,
                          classification=s.classification,
                          description=s.description, version=s.version,
-                         type=s.type, location=s.location)
+                         type=s.type, location=s.location,
+                         citation_id=s.citation._id if s.citation else None)
 
 
 class _CitationDumper(Dumper):
@@ -163,7 +165,10 @@ def _get_citation_authors(self, system):
         # If system.authors is empty, get the set of all citation authors
         # instead
         seen_authors = set()
-        for c in system._all_citations():
+        # Only look at explictly-added citations (since these are likely to
+        # describe the modeling) not that describe a method or a piece of
+        # software we used (system._all_citations())
+        for c in system.citations:
             for a in c.authors:
                 if a not in seen_authors:
                     seen_authors.add(a)
@@ -3107,8 +3112,7 @@ def write(fh, systems, format='mmCIF', dumpers=[]):
               These can be used to add extra categories to the file."""
     dumpers = [_EntryDumper(),  # must be first
                _StructDumper(), _CommentDumper(),
-               _AuditConformDumper(), _SoftwareDumper(),
-               _CitationDumper(),
+               _AuditConformDumper(), _CitationDumper(), _SoftwareDumper(),
                _AuditAuthorDumper(), _GrantDumper(),
                _ChemCompDumper(), _ChemDescriptorDumper(),
                _EntityDumper(), _EntitySrcGenDumper(), _EntitySrcNatDumper(),
diff --git a/modules/core/dependency/python-ihm/ihm/reader.py b/modules/core/dependency/python-ihm/ihm/reader.py
index 9ba389bc3d..60be13654f 100644
--- a/modules/core/dependency/python-ihm/ihm/reader.py
+++ b/modules/core/dependency/python-ihm/ihm/reader.py
@@ -900,12 +900,13 @@ class _SoftwareHandler(Handler):
     category = '_software'
 
     def __call__(self, pdbx_ordinal, name, classification, description,
-                 version, type, location):
+                 version, type, location, citation_id):
         s = self.sysr.software.get_by_id(pdbx_ordinal)
         self.copy_if_present(
             s, locals(),
             keys=('name', 'classification', 'description', 'version',
                   'type', 'location'))
+        s.citation = self.sysr.citations.get_by_id_or_none(citation_id)
 
 
 class _CitationHandler(Handler):
diff --git a/modules/core/dependency/python-ihm/test/test_dumper.py b/modules/core/dependency/python-ihm/test/test_dumper.py
index 2ca7ff9b4c..1bae4f69de 100644
--- a/modules/core/dependency/python-ihm/test/test_dumper.py
+++ b/modules/core/dependency/python-ihm/test/test_dumper.py
@@ -132,16 +132,23 @@ def test_comment_dumper(self):
     def test_software(self):
         """Test SoftwareDumper"""
         system = ihm.System()
+        c1 = ihm.Citation(
+            pmid='25161197', title='foo',
+            journal="Mol Cell Proteomics", volume=13, page_range=(2927, 2943),
+            year=2014, authors=['auth1', 'auth2', 'auth3'], doi='doi1')
         system.software.append(ihm.Software(
             name='test', classification='test code',
             description='Some test program',
             version=1, location='http://test.org'))
         system.software.append(ihm.Software(
             name='foo', classification='test code',
-            description='Other test program', location='http://test2.org'))
+            description='Other test program', location='http://test2.org',
+            citation=c1))
         # Duplicate should be removed
         system.software.append(ihm.Software(
             name='foo', classification='x', description='y', location='z'))
+        dumper = ihm.dumper._CitationDumper()
+        dumper.finalize(system)
         dumper = ihm.dumper._SoftwareDumper()
         dumper.finalize(system)
         self.assertEqual(len(dumper._software_by_id), 2)
@@ -158,8 +165,9 @@ def test_software(self):
 _software.version
 _software.type
 _software.location
-1 test 'test code' 'Some test program' 1 program http://test.org
-2 foo 'test code' 'Other test program' . program http://test2.org
+_software.citation_id
+1 test 'test code' 'Some test program' 1 program http://test.org .
+2 foo 'test code' 'Other test program' . program http://test2.org 1
 #
 """)
 
@@ -236,6 +244,17 @@ def test_audit_author_empty(self):
             year=2014, authors=['auth2', 'auth4'], doi='doi2')
         system.citations.extend((c1, c2))
 
+        # Citations indirectly referenced by software should *not* be used
+        c3 = ihm.Citation(
+            pmid='455', title='baz',
+            journal="Mol Cell Proteomics", volume=13, page_range=(2927, 2943),
+            year=2014, authors=['auth5', 'auth6', 'auth7'], doi='doi3')
+        software = ihm.Software(name='test', classification='test code',
+                                description='Some test program',
+                                version=1, location='http://test.org',
+                                citation=c3)
+        system.software.append(software)
+
         dumper = ihm.dumper._AuditAuthorDumper()
         out = _get_dumper_output(dumper, system)
         # auth2 is repeated in the input; we should see it only once in the
diff --git a/modules/core/dependency/python-ihm/test/test_main.py b/modules/core/dependency/python-ihm/test/test_main.py
index c14fda0dd6..cc9a828a99 100644
--- a/modules/core/dependency/python-ihm/test/test_main.py
+++ b/modules/core/dependency/python-ihm/test/test_main.py
@@ -237,7 +237,8 @@ def test_software(self):
         s4 = ihm.Software(name='bar', version='1.0',
                           classification='a', description='b', location='c')
         s5 = ihm.Software(name='bar', version=ihm.unknown,
-                          classification='a', description='b', location='c')
+                          classification='a', description='b', location='c',
+                          citation='foo')
         # Should compare equal iff name and version both match
         self.assertEqual(s1, s3)
         self.assertEqual(hash(s1), hash(s3))
@@ -581,17 +582,31 @@ class MockObject(object):
                           authors=['Smith A', 'Jones B'],
                           doi='1.2.3.4',
                           pmid='1234')
+        c3 = ihm.Citation(title='Test paper2', journal='J Mol Biol2',
+                          volume=46, page_range=(1, 20), year=2017,
+                          authors=['Smith A', 'Jones B'],
+                          doi='5.6.7.8',
+                          pmid='5678')
         rsr1 = MockObject()  # Not a 3dem restraint
         rsr2 = MockObject()  # 3dem but with no provided citation
         rsr2.fitting_method_citation_id = None
         rsr3 = MockObject()
         rsr2.fitting_method_citation_id = c1
 
+        s1 = ihm.Software(name='test', classification='test code',
+                          description='Some test program',
+                          version=1, location='http://test.org')
+        s2 = ihm.Software(name='test', classification='test code',
+                          description='Some test program',
+                          version=1, location='http://test.org',
+                          citation=c3)
+
         s = ihm.System()
         s.restraints.extend((rsr1, rsr2, rsr3))
         s.citations.extend((c2, c2))
+        s.software.extend((s1, s2))
         # duplicates should be filtered globally
-        self.assertEqual(list(s._all_citations()), [c2, c1])
+        self.assertEqual(list(s._all_citations()), [c2, c3, c1])
 
     def test_all_software(self):
         """Test _all_software() method"""
diff --git a/modules/core/dependency/python-ihm/test/test_reader.py b/modules/core/dependency/python-ihm/test/test_reader.py
index e6ae1f3720..f05cc20144 100644
--- a/modules/core/dependency/python-ihm/test/test_reader.py
+++ b/modules/core/dependency/python-ihm/test/test_reader.py
@@ -203,6 +203,17 @@ def test_software_handler(self):
         """Test SoftwareHandler"""
         cif = """
 loop_
+_citation.id
+_citation.journal_abbrev
+_citation.journal_volume
+_citation.page_first
+_citation.page_last
+_citation.year
+_citation.pdbx_database_id_PubMed
+_citation.pdbx_database_id_DOI
+1 'Mol Cell Proteomics' 9 2943 . 2014 1234 .
+#
+loop_
 _software.pdbx_ordinal
 _software.name
 _software.classification
@@ -210,14 +221,21 @@ def test_software_handler(self):
 _software.version
 _software.type
 _software.location
-1 'test software' 'test class' 'test desc' program 1.0.1 https://example.org
+_software.citation_id
+1 'test software' 'test class' 'test desc' program 1.0.1 https://example.org .
+2 'other software' 'oth class' 'test desc' program 1.0.1 https://example.org 1
 """
         for fh in cif_file_handles(cif):
             s, = ihm.reader.read(fh)
-            software, = s.software
+            software, s2 = s.software
             self.assertEqual(software._id, '1')
             self.assertEqual(software.name, 'test software')
             self.assertEqual(software.classification, 'test class')
+            self.assertIsNone(software.citation)
+            self.assertEqual(s2._id, '2')
+            self.assertEqual(s2.name, 'other software')
+            self.assertEqual(s2.classification, 'oth class')
+            self.assertEqual(s2.citation.pmid, '1234')
 
     def test_audit_author_handler(self):
         """Test AuditAuthorHandler"""

From 204796f40a75d6bab17e5fbd422f42496c70fc89 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 25 Aug 2021 09:12:51 -0700
Subject: [PATCH 166/250] Match latest python-ihm

The software table now contains a citation_id field,
so update our known-good output to match.
---
 modules/mmcif/test/test_dumper.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/modules/mmcif/test/test_dumper.py b/modules/mmcif/test/test_dumper.py
index 4e6a9e5389..ddb980e6ba 100644
--- a/modules/mmcif/test/test_dumper.py
+++ b/modules/mmcif/test/test_dumper.py
@@ -109,8 +109,9 @@ def test_software_dumper(self):
 _software.version
 _software.type
 _software.location
+_software.citation_id
 1 'Integrative Modeling Platform (IMP)' 'integrative model building' .
-%s program https://integrativemodeling.org
+%s program https://integrativemodeling.org .
 #
 """ % IMP.get_module_version()).replace('\n', ' '))
 

From 6ec929d8e6f889b0b5107909c2f2cee21c277411 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 25 Aug 2021 11:05:29 -0700
Subject: [PATCH 167/250] Check MonteCarlo trajectory using set_score_moved()

MonteCarlo should give the same trajectory whether
we score the entire system at each step or only
rescore the particles that moved, so add a test for this.
This currently fails because we don't handle rejected
moves correctly yet.
---
 modules/core/test/test_monte_carlo.py | 45 +++++++++++++++++++++++++++
 1 file changed, 45 insertions(+)

diff --git a/modules/core/test/test_monte_carlo.py b/modules/core/test/test_monte_carlo.py
index a8c4bdaebd..eb210b9160 100644
--- a/modules/core/test/test_monte_carlo.py
+++ b/modules/core/test/test_monte_carlo.py
@@ -4,6 +4,33 @@
 import IMP.container
 
 
+def setup_system(coords):
+    m = IMP.Model()
+    mc = IMP.core.MonteCarlo(m)
+    ps = []
+    for i in range(len(coords)):
+        p = IMP.Particle(m)
+        d = IMP.core.XYZR.setup_particle(p)
+        ps.append(d)
+        d.set_coordinates(coords[i])
+        d.set_radius(.1)
+        d.set_coordinates_are_optimized(True)
+    hps = IMP.core.HarmonicDistancePairScore(1, 100)
+    r1 = IMP.core.PairRestraint(m, hps, [ps[0], ps[1]])
+    r2 = IMP.core.PairRestraint(m, hps, [ps[1], ps[2]])
+    r3 = IMP.core.PairRestraint(m, hps, [ps[2], ps[3]])
+    rs = IMP.RestraintSet(m)
+    rs.add_restraints([r1, r2, r3])
+    mc.set_scoring_function(rs)
+    ms = [IMP.core.BallMover(m, x, 0.05) for x in ps]
+    mv = IMP.core.SerialMover(ms)
+    mc.add_mover(mv)
+    # Always reject upwards moves
+    mc.set_kt(0.)
+    mc.set_return_best(False)
+    return m, mc
+
+
 class Tests(IMP.test.TestCase):
 
     def test_stats(self):
@@ -39,5 +66,23 @@ def test_stats(self):
                              mc.get_number_of_downward_steps())
             self.assertEqual(mc.get_number_of_proposed_steps(), 100)
 
+    def test_moved_same_trajectory(self):
+        """MonteCarlo trajectory should not be changed by set_score_moved()"""
+        bb = IMP.algebra.get_unit_bounding_box_3d()
+        coords = [IMP.algebra.get_random_vector_in(bb) for _ in range(10)]
+        m1, mc1 = setup_system(coords)
+        m2, mc2 = setup_system(coords)
+
+        # Same seeed, same system, so we should get identical trajectories
+        IMP.random_number_generator.seed(99)
+        mc1_score = mc1.optimize(100)
+
+        mc2.set_score_moved(True)
+        IMP.random_number_generator.seed(99)
+        mc2_score = mc2.optimize(100)
+
+        self.assertAlmostEqual(mc1_score, mc2_score, delta=1e-2)
+
+
 if __name__ == '__main__':
     IMP.test.main()

From 2b8fed5f903993e94c21228dc77889d34e649582 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 25 Aug 2021 13:24:11 -0700
Subject: [PATCH 168/250] Drop Ubuntu 16.04 package

---
 ChangeLog.md | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/ChangeLog.md b/ChangeLog.md
index 691c2f8a5a..3964ffca7f 100644
--- a/ChangeLog.md
+++ b/ChangeLog.md
@@ -31,6 +31,8 @@ ChangeLog {#changelog}
   get_contents() method instead.
 - The deprecated IMP::isd::Weight::get_number_of_states() method has been
   removed. Use get_number_of_weights() instead.
+- We no longer provide packages for Ubuntu 16.04 LTS (Xenial Xerus), as it
+  reached end of life in April 2021.
 
 # 2.15.0 - 2021-06-02 # {#changelog_2_15_0}
 - The [Homebrew](https://brew.sh/) Mac packages now support Apple Silicon.

From 78adfeb60c9ec4e212a15902ed50f6ebe3b1f32b Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 25 Aug 2021 17:43:27 -0700
Subject: [PATCH 169/250] Support 'reset' particles in evaluate_moved()

Distinguish between particles that moved to new
positions from particles that have been 'reset',
i.e. moved back to previous positions (e.g. by
a rejected Monte Carlo move). This should correct
MC trajectories when using set_score_moved(true).
---
 modules/core/include/MonteCarlo.h             | 16 +++++----
 .../core/include/RestraintsScoringFunction.h  |  1 +
 modules/core/src/MonteCarlo.cpp               | 18 +++++++---
 .../test/test_restraints_scoring_function.py  | 13 ++++---
 modules/isd/include/LogWrapper.h              |  8 ++---
 modules/isd/src/HybridMonteCarlo.cpp          |  5 ++-
 modules/isd/src/LogWrapper.cpp                | 16 +++++----
 modules/isd/test/test_log_wrapper.py          | 14 ++++----
 modules/kernel/include/Restraint.h            | 34 +++++++++++++------
 modules/kernel/include/RestraintSet.h         |  3 +-
 modules/kernel/include/ScoringFunction.h      | 20 ++++++++---
 .../internal/RestraintsScoringFunction.h      |  4 ++-
 .../include/internal/restraint_evaluation.h   |  2 ++
 .../include/internal/scoring_functions.h      |  6 ++--
 modules/kernel/src/Restraint.cpp              | 32 ++++++++++-------
 modules/kernel/src/RestraintSet.cpp           | 10 +++---
 modules/kernel/src/ScoringFunction.cpp        | 21 ++++++++----
 .../src/internal/restraint_evaluation.cpp     | 25 +++++++++-----
 modules/kernel/test/test_restraint_sets.py    | 24 ++++++-------
 modules/kernel/test/test_score_state.py       | 13 +++----
 20 files changed, 181 insertions(+), 104 deletions(-)

diff --git a/modules/core/include/MonteCarlo.h b/modules/core/include/MonteCarlo.h
index 3074c6eb44..dd94ba3e30 100644
--- a/modules/core/include/MonteCarlo.h
+++ b/modules/core/include/MonteCarlo.h
@@ -47,6 +47,7 @@ class IMPCOREEXPORT MonteCarlo : public Optimizer {
   MonteCarlo(Model *m);
 
  protected:
+  ParticleIndexes reset_pis_;
   virtual Float do_optimize(unsigned int max_steps) IMP_OVERRIDE;
   IMP_OBJECT_METHODS(MonteCarlo)
  public:
@@ -167,11 +168,12 @@ class IMPCOREEXPORT MonteCarlo : public Optimizer {
       state of the model. Also, if the move is accepted, the
       optimizer states will be updated.
   */
-  bool do_accept_or_reject_move(double score, double last,
-                                double proposal_ratio);
-  bool do_accept_or_reject_move(double score, double proposal_ratio) {
-    return do_accept_or_reject_move(score, get_last_accepted_energy(),
-                                    proposal_ratio);
+  bool do_accept_or_reject_move(double score, double last, 
+                                const MonteCarloMoverResult &moved);
+
+  bool do_accept_or_reject_move(double score,
+                                const MonteCarloMoverResult &moved) {
+    return do_accept_or_reject_move(score, get_last_accepted_energy(), moved);
   }
 
   MonteCarloMoverResult do_move();
@@ -198,14 +200,14 @@ class IMPCOREEXPORT MonteCarlo : public Optimizer {
     if (get_maximum_difference() < NO_MAX) {
       if (score_moved_ && !force_full_score) {
         return get_scoring_function()->evaluate_moved_if_below(
-            false, moved, last_energy_ + max_difference_);
+            false, moved, reset_pis_, last_energy_ + max_difference_);
       } else {
         return get_scoring_function()->evaluate_if_below(
             false, last_energy_ + max_difference_);
       }
     } else {
       if (score_moved_ && !force_full_score) {
-        return get_scoring_function()->evaluate_moved(false, moved);
+        return get_scoring_function()->evaluate_moved(false, moved, reset_pis_);
       } else {
         return get_scoring_function()->evaluate(false);
       }
diff --git a/modules/core/include/RestraintsScoringFunction.h b/modules/core/include/RestraintsScoringFunction.h
index d74eb00499..b6ba71604e 100644
--- a/modules/core/include/RestraintsScoringFunction.h
+++ b/modules/core/include/RestraintsScoringFunction.h
@@ -38,6 +38,7 @@ class RestraintsScoringFunction :
 
   void do_add_score_and_derivatives_moved(
            ScoreAccumulator sa, const ParticleIndexes &moved_pis,
+           const ParticleIndexes &reset_pis,
            const ScoreStatesTemp &ss) IMP_OVERRIDE;
 
   virtual Restraints create_restraints() const IMP_OVERRIDE;
diff --git a/modules/core/src/MonteCarlo.cpp b/modules/core/src/MonteCarlo.cpp
index 681064153e..5e1288aed3 100644
--- a/modules/core/src/MonteCarlo.cpp
+++ b/modules/core/src/MonteCarlo.cpp
@@ -35,8 +35,9 @@ MonteCarlo::MonteCarlo(Model *m)
 }
 
 bool MonteCarlo::do_accept_or_reject_move(double score, double last,
-                                          double proposal_ratio) {
+                                          const MonteCarloMoverResult &moved) {
   bool ok = false;
+  double proposal_ratio = moved.get_proposal_ratio();
   if (score < last) {
     ++stat_downward_steps_taken_;
     ok = true;
@@ -64,6 +65,9 @@ bool MonteCarlo::do_accept_or_reject_move(double score, double last,
     for (int i = get_number_of_movers() - 1; i >= 0; --i) {
       get_mover(i)->accept();
     }
+    if (score_moved_) {
+      reset_pis_.clear();
+    }
     return true;
   } else {
     IMP_LOG_TERSE("Reject: " << score << " current score stays " << last
@@ -72,6 +76,11 @@ bool MonteCarlo::do_accept_or_reject_move(double score, double last,
       get_mover(i)->reject();
     }
     ++stat_num_failures_;
+    if (score_moved_) {
+      // Need to return the moved particles' restraints to their previous
+      // values at the next scoring function evaluation
+      reset_pis_ = moved.get_moved_particles();
+    }
     if (isf_) {
       isf_->reset_moved_particles();
     }
@@ -118,7 +127,7 @@ void MonteCarlo::do_step() {
   MonteCarloMoverResult moved = do_move();
   MoverCleanup cleanup(this);
   double energy = do_evaluate(moved.get_moved_particles(), false);
-  do_accept_or_reject_move(energy, moved.get_proposal_ratio());
+  do_accept_or_reject_move(energy, moved);
   cleanup.reset();
 }
 
@@ -145,6 +154,7 @@ double MonteCarlo::do_optimize(unsigned int max_steps) {
               ValueException);
   }
 
+  reset_pis_.clear();
   ParticleIndexes movable = get_movable_particles();
 
   // provide a way of feeding in this value
@@ -209,7 +219,7 @@ void MonteCarloWithLocalOptimization::do_step() {
   // make sure they are cleaned up
   PointerMember<Configuration> cs = new Configuration(get_model());
   double ne = opt_->optimize(num_local_);
-  if (!do_accept_or_reject_move(ne, moved.get_proposal_ratio())) {
+  if (!do_accept_or_reject_move(ne, moved)) {
     cs->swap_configuration();
   }
   cleanup.reset();
@@ -228,7 +238,7 @@ void MonteCarloWithBasinHopping::do_step() {
   Pointer<Configuration> cs = new Configuration(get_model());
   double ne = get_local_optimizer()->optimize(get_number_of_steps());
   cs->swap_configuration();
-  do_accept_or_reject_move(ne, moved.get_proposal_ratio());
+  do_accept_or_reject_move(ne, moved);
   cleanup.reset();
 }
 
diff --git a/modules/core/test/test_restraints_scoring_function.py b/modules/core/test/test_restraints_scoring_function.py
index 275358bf5e..9c68c9fa62 100644
--- a/modules/core/test/test_restraints_scoring_function.py
+++ b/modules/core/test/test_restraints_scoring_function.py
@@ -11,10 +11,12 @@ def __init__(self, m, ps, value, name="TestMovedRestraint %1%"):
 
     def unprotected_evaluate(self, accum):
         self.moved_pis = None
+        self.reset_pis = None
         return self.value
 
-    def unprotected_evaluate_moved(self, accum, moved_pis):
+    def unprotected_evaluate_moved(self, accum, moved_pis, reset_pis):
         self.moved_pis = moved_pis
+        self.reset_pis = reset_pis
         return self.value * 10.
 
     def do_get_inputs(self):
@@ -71,6 +73,7 @@ def test_scoring(self):
         self.assertAlmostEqual(sf.evaluate_if_below(False, 1e6),
                                42., delta=1e-6)
         self.assertIsNone(r1.moved_pis)
+        self.assertIsNone(r1.reset_pis)
 
     def test_scoring_moved(self):
         """Test scoring of RestraintsScoringFunction with moved particles"""
@@ -78,12 +81,14 @@ def test_scoring_moved(self):
         p = IMP.Particle(m)
         r1 = TestMovedRestraint(m, [p], value=42.)
         sf = IMP.core.RestraintsScoringFunction([r1])
-        self.assertAlmostEqual(sf.evaluate_moved(False, [p]), 420., delta=1e-6)
-        self.assertAlmostEqual(sf.evaluate_moved_if_good(False, [p]),
+        self.assertAlmostEqual(sf.evaluate_moved(False, [p], []),
                                420., delta=1e-6)
-        self.assertAlmostEqual(sf.evaluate_moved_if_below(False, [p], 1e6),
+        self.assertAlmostEqual(sf.evaluate_moved_if_good(False, [p], []),
+                               420., delta=1e-6)
+        self.assertAlmostEqual(sf.evaluate_moved_if_below(False, [p], [], 1e6),
                                420., delta=1e-6)
         self.assertEqual(r1.moved_pis, IMP.get_indexes([p]))
+        self.assertEqual(len(r1.reset_pis), 0)
 
 
 if __name__ == '__main__':
diff --git a/modules/isd/include/LogWrapper.h b/modules/isd/include/LogWrapper.h
index 6ed04cdf56..51ff37a2b6 100644
--- a/modules/isd/include/LogWrapper.h
+++ b/modules/isd/include/LogWrapper.h
@@ -35,12 +35,12 @@ class IMPISDEXPORT LogWrapper : public RestraintSet {
     virtual double unprotected_evaluate(
         IMP::DerivativeAccumulator* accum) const IMP_OVERRIDE;
     virtual double unprotected_evaluate_moved(
-        IMP::DerivativeAccumulator* accum,
-        const ParticleIndexes &moved_pis) const IMP_OVERRIDE;
+        IMP::DerivativeAccumulator* accum, const ParticleIndexes &moved_pis,
+        const ParticleIndexes &reset_pis) const IMP_OVERRIDE;
     void do_add_score_and_derivatives(ScoreAccumulator sa) const IMP_OVERRIDE;
     void do_add_score_and_derivatives_moved(
-                  ScoreAccumulator sa,
-                  const ParticleIndexes &moved_pis) const IMP_OVERRIDE;
+                  ScoreAccumulator sa, const ParticleIndexes &moved_pis,
+                  const ParticleIndexes &reset_pis) const IMP_OVERRIDE;
 
     IMP_OBJECT_METHODS(LogWrapper);
 
diff --git a/modules/isd/src/HybridMonteCarlo.cpp b/modules/isd/src/HybridMonteCarlo.cpp
index 53b5048af5..3c1b11a6cf 100644
--- a/modules/isd/src/HybridMonteCarlo.cpp
+++ b/modules/isd/src/HybridMonteCarlo.cpp
@@ -56,11 +56,10 @@ void HybridMonteCarlo::do_step() {
 
   double energy = do_evaluate(unused, true);
   bool accepted =
-      do_accept_or_reject_move(energy, last, moved.get_proposal_ratio());
+      do_accept_or_reject_move(energy, last, moved);
   while ((!accepted) && (persistence_counter_ < persistence_ - 1)) {
     persistence_counter_ += 1;
-    accepted =
-        do_accept_or_reject_move(energy, last, moved.get_proposal_ratio());
+    accepted = do_accept_or_reject_move(energy, last, moved);
   }
 
   /*std::cout << "hmc"
diff --git a/modules/isd/src/LogWrapper.cpp b/modules/isd/src/LogWrapper.cpp
index 2aa730bef6..70bb300db5 100644
--- a/modules/isd/src/LogWrapper.cpp
+++ b/modules/isd/src/LogWrapper.cpp
@@ -45,11 +45,12 @@ double LogWrapper::unprotected_evaluate(DerivativeAccumulator* accum) const {
 }
 
 double LogWrapper::unprotected_evaluate_moved(
-        DerivativeAccumulator* accum, const ParticleIndexes &moved_pis) const {
+        DerivativeAccumulator* accum, const ParticleIndexes &moved_pis,
+        const ParticleIndexes &reset_pis) const {
   // If we only want the score, and only a single particle moved, only
   // evaluate the restraints that depend on that particle, and use the
   // last score for the rest
-  if (!accum && moved_pis.size() == 1) {
+  if (!accum && moved_pis.size() == 1 && reset_pis.size() == 0) {
     const std::set<Restraint *> &rsset
            = get_model()->get_dependent_restraints(moved_pis[0]);
 
@@ -67,7 +68,8 @@ double LogWrapper::unprotected_evaluate_moved(
           prob *= rsrval;
         } else {
 #if IMP_HAS_CHECKS >= IMP_INTERNAL
-          double rsrval = r->unprotected_evaluate_moved(accum, moved_pis);
+          double rsrval = r->unprotected_evaluate_moved(accum, moved_pis,
+                                                        reset_pis);
           IMP_INTERNAL_CHECK_FLOAT_EQUAL(
                  rsrval, last_score,
                  "Restraint " << *r
@@ -76,7 +78,8 @@ double LogWrapper::unprotected_evaluate_moved(
           prob *= last_score;
         }
       } else {
-        double rsrval = r->unprotected_evaluate_moved(accum, moved_pis);
+        double rsrval = r->unprotected_evaluate_moved(accum, moved_pis,
+                                                      reset_pis);
         r->set_last_score(rsrval);
         prob *= rsrval;
       }
@@ -98,9 +101,10 @@ void LogWrapper::do_add_score_and_derivatives(ScoreAccumulator sa) const {
 }
 
 void LogWrapper::do_add_score_and_derivatives_moved(
-                ScoreAccumulator sa, const ParticleIndexes &moved_pis) const {
+                ScoreAccumulator sa, const ParticleIndexes &moved_pis,
+                const ParticleIndexes &reset_pis) const {
   // override RestraintSet implementation
-  Restraint::do_add_score_and_derivatives_moved(sa, moved_pis);
+  Restraint::do_add_score_and_derivatives_moved(sa, moved_pis, reset_pis);
 }
 
 void LogWrapper::show_it(std::ostream &out) const {
diff --git a/modules/isd/test/test_log_wrapper.py b/modules/isd/test/test_log_wrapper.py
index 7c310ebd00..512afb2e37 100644
--- a/modules/isd/test/test_log_wrapper.py
+++ b/modules/isd/test/test_log_wrapper.py
@@ -17,7 +17,7 @@ def unprotected_evaluate(self, accum):
         self.moved_evaluate = False
         return self.value
 
-    def unprotected_evaluate_moved(self, accum, moved_pis):
+    def unprotected_evaluate_moved(self, accum, moved_pis, reset_pis):
         self.moved_evaluate = True
         return self.value
 
@@ -59,21 +59,21 @@ def clear_restraints():
         # If we move p1, r1 should be evaluate_moved, r4 skipped
         # (and score should be unchanged, of course)
         clear_restraints()
-        self.assertAlmostEqual(lw.evaluate_moved(False, [p1]),
+        self.assertAlmostEqual(lw.evaluate_moved(False, [p1], []),
                                -6.908, delta=1e-3)
         assert_restraint_evaluate_moved(r1)
         assert_restraint_skipped(r4)
 
         # No restraints depend on p2
         clear_restraints()
-        self.assertAlmostEqual(lw.evaluate_moved(False, [p2]),
+        self.assertAlmostEqual(lw.evaluate_moved(False, [p2], []),
                                -6.908, delta=1e-3)
         assert_restraint_skipped(r1)
         assert_restraint_skipped(r4)
 
         # p4 causes r4 to be updated
         clear_restraints()
-        self.assertAlmostEqual(lw.evaluate_moved(False, [p4]),
+        self.assertAlmostEqual(lw.evaluate_moved(False, [p4], []),
                                -6.908, delta=1e-3)
         assert_restraint_skipped(r1)
         assert_restraint_evaluate_moved(r4)
@@ -81,7 +81,7 @@ def clear_restraints():
         # Moves of multiple particles are not currently handled and will
         # fall back to plain evaluate
         clear_restraints()
-        self.assertAlmostEqual(lw.evaluate_moved(False, [p1, p2]),
+        self.assertAlmostEqual(lw.evaluate_moved(False, [p1, p2], []),
                                -6.908, delta=1e-3)
         assert_restraint_evaluate(r1)
         assert_restraint_evaluate(r4)
@@ -89,7 +89,7 @@ def clear_restraints():
         # Moves with derivatives are not currently handled and will
         # fall back to plain evaluate
         clear_restraints()
-        self.assertAlmostEqual(lw.evaluate_moved(True, [p1]),
+        self.assertAlmostEqual(lw.evaluate_moved(True, [p1], []),
                                -6.908, delta=1e-3)
         assert_restraint_evaluate(r1)
         assert_restraint_evaluate(r4)
@@ -99,7 +99,7 @@ def clear_restraints():
         r3 = LogRestraint(m, [p3], 30.0)
         r3.moved_evaluate = None
         lw.add_restraint(r3)
-        self.assertAlmostEqual(lw.evaluate_moved(False, [p4]),
+        self.assertAlmostEqual(lw.evaluate_moved(False, [p4], []),
                                -10.308, delta=1e-3)
         assert_restraint_skipped(r1)
         assert_restraint_evaluate(r3)
diff --git a/modules/kernel/include/Restraint.h b/modules/kernel/include/Restraint.h
index 876466853b..e4908205ed 100644
--- a/modules/kernel/include/Restraint.h
+++ b/modules/kernel/include/Restraint.h
@@ -75,16 +75,26 @@ class IMPKERNELEXPORT Restraint : public ModelObject {
       identically to evaluate() but may be more efficient if it can
       skip terms that involve unchanged particles.
 
+      \param calc_derivs Whether to calculate first derivatives.
+      \param moved_pis Particles that have moved since the last
+             scoring function evaluation.
+      \param reset_pis Particles that have moved, but back to the
+             positions they had at the last-but-one evaluation
+             (e.g. due to a rejected Monte Carlo move).
+
       \return Current score.
    */
   double evaluate_moved(bool calc_derivs,
-                        const ParticleIndexes &moved_pis) const;
+                        const ParticleIndexes &moved_pis,
+                        const ParticleIndexes &reset_pis) const;
 
   double evaluate_moved_if_below(bool calc_derivatives,
-                      const ParticleIndexes &moved_pis, double max) const;
+                      const ParticleIndexes &moved_pis,
+                      const ParticleIndexes &reset_pis, double max) const;
 
   double evaluate_moved_if_good(bool calc_derivatives,
-                      const ParticleIndexes &moved_pis) const;
+                      const ParticleIndexes &moved_pis,
+                      const ParticleIndexes &reset_pis) const;
 
   double evaluate_if_good(bool calc_derivatives) const;
 
@@ -112,8 +122,10 @@ class IMPKERNELEXPORT Restraint : public ModelObject {
       skipping terms that involve unchanged particles.
    */
   virtual double unprotected_evaluate_moved(
-           DerivativeAccumulator *da, const ParticleIndexes &moved_pis) const {
+           DerivativeAccumulator *da, const ParticleIndexes &moved_pis,
+           const ParticleIndexes &reset_pis) const {
     IMP_UNUSED(moved_pis);
+    IMP_UNUSED(reset_pis);
     return unprotected_evaluate(da);
   }
 
@@ -134,16 +146,16 @@ class IMPKERNELEXPORT Restraint : public ModelObject {
 
   virtual double unprotected_evaluate_moved_if_below(
            DerivativeAccumulator *da, const ParticleIndexes &moved_pis,
-           double max) const {
+           const ParticleIndexes &reset_pis, double max) const {
     IMP_UNUSED(max);
-    return unprotected_evaluate_moved(da, moved_pis);
+    return unprotected_evaluate_moved(da, moved_pis, reset_pis);
   }
 
   virtual double unprotected_evaluate_moved_if_good(
            DerivativeAccumulator *da, const ParticleIndexes &moved_pis,
-           double max) const {
+           const ParticleIndexes &reset_pis, double max) const {
     IMP_UNUSED(max);
-    return unprotected_evaluate_moved(da, moved_pis);
+    return unprotected_evaluate_moved(da, moved_pis, reset_pis);
   }
 
 /** @} */
@@ -184,7 +196,8 @@ class IMPKERNELEXPORT Restraint : public ModelObject {
   void add_score_and_derivatives(ScoreAccumulator sa) const;
 
   void add_score_and_derivatives_moved(
-                 ScoreAccumulator sa, const ParticleIndexes &moved_pis) const;
+                 ScoreAccumulator sa, const ParticleIndexes &moved_pis,
+                 const ParticleIndexes &reset_pis) const;
 
   //! Decompose this restraint into constituent terms
   /** Given the set of input particles, decompose the restraint into parts
@@ -288,7 +301,8 @@ class IMPKERNELEXPORT Restraint : public ModelObject {
   virtual void do_add_score_and_derivatives(ScoreAccumulator sa) const;
 
   virtual void do_add_score_and_derivatives_moved(
-                  ScoreAccumulator sa, const ParticleIndexes &moved_pis) const;
+                  ScoreAccumulator sa, const ParticleIndexes &moved_pis,
+                  const ParticleIndexes &reset_pis) const;
 
   /** No outputs. */
   ModelObjectsTemp do_get_outputs() const IMP_OVERRIDE {
diff --git a/modules/kernel/include/RestraintSet.h b/modules/kernel/include/RestraintSet.h
index 602079755c..c077206a56 100644
--- a/modules/kernel/include/RestraintSet.h
+++ b/modules/kernel/include/RestraintSet.h
@@ -85,7 +85,8 @@ class IMPKERNELEXPORT RestraintSet : public Restraint {
   void do_add_score_and_derivatives(ScoreAccumulator sa) const IMP_OVERRIDE;
   void do_add_score_and_derivatives_moved(
                   ScoreAccumulator sa,
-                  const ParticleIndexes &moved_pis) const IMP_OVERRIDE;
+                  const ParticleIndexes &moved_pis,
+                  const ParticleIndexes &reset_pis) const IMP_OVERRIDE;
 #endif
 };
 
diff --git a/modules/kernel/include/ScoringFunction.h b/modules/kernel/include/ScoringFunction.h
index e297c40d02..e490a06995 100644
--- a/modules/kernel/include/ScoringFunction.h
+++ b/modules/kernel/include/ScoringFunction.h
@@ -47,7 +47,8 @@ class IMPKERNELEXPORT ScoringFunction : public ModelObject {
   unsigned moved_particles_cache_age_;
 
   const ScoreStatesTemp& get_moved_required_score_states(
-                               const ParticleIndexes &moved_pis);
+                               const ParticleIndexes &moved_pis,
+                               const ParticleIndexes &reset_pis);
 
   // later make things implement inputs and return restraints
  public:
@@ -65,8 +66,10 @@ class IMPKERNELEXPORT ScoringFunction : public ModelObject {
    */
   virtual void do_add_score_and_derivatives_moved(
                   ScoreAccumulator sa, const ParticleIndexes &moved_pis,
+                  const ParticleIndexes &reset_pis,
                   const ScoreStatesTemp &ss) {
     IMP_UNUSED(moved_pis);
+    IMP_UNUSED(reset_pis);
     do_add_score_and_derivatives(sa, ss);
   }
 
@@ -101,15 +104,24 @@ class IMPKERNELEXPORT ScoringFunction : public ModelObject {
   /** This should behave identically to evaluate() but may be more
       efficient if it can skip restraint terms that involve unchanged particles.
 
+      \param moved_pis Particles that have moved since the last
+             scoring function evaluation.
+      \param reset_pis Particles that have moved, but back to the
+             positions they had at the last-but-one evaluation
+             (e.g. due to a rejected Monte Carlo move).
+
       \see evaluate()
    */
-  double evaluate_moved(bool derivatives, const ParticleIndexes &moved_pis);
+  double evaluate_moved(bool derivatives, const ParticleIndexes &moved_pis,
+                        const ParticleIndexes &reset_pis);
 
   double evaluate_moved_if_below(
-             bool derivatives, const ParticleIndexes &moved_pis, double max);
+             bool derivatives, const ParticleIndexes &moved_pis,
+             const ParticleIndexes &reset_pis, double max);
 
   double evaluate_moved_if_good(
-             bool derivatives, const ParticleIndexes &moved_pis);
+             bool derivatives, const ParticleIndexes &moved_pis,
+             const ParticleIndexes &reset_pis);
 
   double evaluate_if_below(bool derivatives, double max);
 
diff --git a/modules/kernel/include/internal/RestraintsScoringFunction.h b/modules/kernel/include/internal/RestraintsScoringFunction.h
index 62e941ef7a..84bbfb418e 100644
--- a/modules/kernel/include/internal/RestraintsScoringFunction.h
+++ b/modules/kernel/include/internal/RestraintsScoringFunction.h
@@ -53,9 +53,11 @@ class GenericRestraintsScoringFunction : public ScoringFunction {
 
   void do_add_score_and_derivatives_moved(IMP::ScoreAccumulator sa,
                                     const ParticleIndexes &moved_pis,
+                                    const ParticleIndexes &reset_pis,
                                     const ScoreStatesTemp &ss) IMP_OVERRIDE {
     IMP_OBJECT_LOG;
-    protected_evaluate_moved(sa, restraints_, moved_pis, ss, get_model());
+    protected_evaluate_moved(sa, restraints_, moved_pis, reset_pis,
+                             ss, get_model());
   }
 
   Restraints create_restraints() const IMP_OVERRIDE {
diff --git a/modules/kernel/include/internal/restraint_evaluation.h b/modules/kernel/include/internal/restraint_evaluation.h
index 6e0a6d5480..86c5209130 100644
--- a/modules/kernel/include/internal/restraint_evaluation.h
+++ b/modules/kernel/include/internal/restraint_evaluation.h
@@ -31,12 +31,14 @@ IMPKERNELEXPORT void protected_evaluate(IMP::ScoreAccumulator sa,
 IMPKERNELEXPORT void protected_evaluate_moved(IMP::ScoreAccumulator sa,
                                         const RestraintsTemp &restraints,
                                         const ParticleIndexes &moved_pis,
+                                        const ParticleIndexes &reset_pis,
                                         const ScoreStatesTemp &states,
                                         Model *m);
 
 IMPKERNELEXPORT void protected_evaluate_moved(IMP::ScoreAccumulator sa,
                                         Restraint *restraint,
                                         const ParticleIndexes &moved_pis,
+                                        const ParticleIndexes &reset_pis,
                                         const ScoreStatesTemp &states,
                                         Model *m);
 
diff --git a/modules/kernel/include/internal/scoring_functions.h b/modules/kernel/include/internal/scoring_functions.h
index 33d001ccf1..048717e3c1 100644
--- a/modules/kernel/include/internal/scoring_functions.h
+++ b/modules/kernel/include/internal/scoring_functions.h
@@ -54,6 +54,7 @@ class RestraintScoringFunction : public ScoringFunction {
                                     const ScoreStatesTemp &ss) IMP_OVERRIDE;
   void do_add_score_and_derivatives_moved(IMP::ScoreAccumulator sa,
                                     const ParticleIndexes &moved_pis,
+                                    const ParticleIndexes &reset_pis,
                                     const ScoreStatesTemp &ss) IMP_OVERRIDE;
   Restraints create_restraints() const IMP_OVERRIDE;
   virtual ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
@@ -69,8 +70,9 @@ void RestraintScoringFunction<RestraintType>::do_add_score_and_derivatives(
 template <class RestraintType> void
 RestraintScoringFunction<RestraintType>::do_add_score_and_derivatives_moved(
     IMP::ScoreAccumulator sa, const ParticleIndexes &moved_pis,
-    const ScoreStatesTemp &ss) {
-  internal::protected_evaluate_moved(sa, r_.get(), moved_pis, ss, get_model());
+    const ParticleIndexes &reset_pis, const ScoreStatesTemp &ss) {
+  internal::protected_evaluate_moved(sa, r_.get(), moved_pis, reset_pis,
+                                     ss, get_model());
 }
 
 template <class RestraintType>
diff --git a/modules/kernel/src/Restraint.cpp b/modules/kernel/src/Restraint.cpp
index 0d60afb1af..4661ff016e 100644
--- a/modules/kernel/src/Restraint.cpp
+++ b/modules/kernel/src/Restraint.cpp
@@ -36,25 +36,27 @@ double Restraint::evaluate(bool calc_derivs) const {
 }
 
 double Restraint::evaluate_moved(
-                bool calc_derivs, const ParticleIndexes &moved_pis) const {
+                bool calc_derivs, const ParticleIndexes &moved_pis,
+                const ParticleIndexes &reset_pis) const {
   IMP_OBJECT_LOG;
   Pointer<ScoringFunction> sf = create_internal_scoring_function();
-  return sf->evaluate_moved(calc_derivs, moved_pis);
+  return sf->evaluate_moved(calc_derivs, moved_pis, reset_pis);
 }
 
 double Restraint::evaluate_moved_if_below(
                 bool calc_derivs, const ParticleIndexes &moved_pis,
-                double max) const {
+                const ParticleIndexes &reset_pis, double max) const {
   IMP_OBJECT_LOG;
   Pointer<ScoringFunction> sf = create_internal_scoring_function();
-  return sf->evaluate_moved_if_below(calc_derivs, moved_pis, max);
+  return sf->evaluate_moved_if_below(calc_derivs, moved_pis, reset_pis, max);
 }
 
 double Restraint::evaluate_moved_if_good(
-                bool calc_derivs, const ParticleIndexes &moved_pis) const {
+                bool calc_derivs, const ParticleIndexes &moved_pis,
+                const ParticleIndexes &reset_pis) const {
   IMP_OBJECT_LOG;
   Pointer<ScoringFunction> sf = create_internal_scoring_function();
-  return sf->evaluate_moved_if_good(calc_derivs, moved_pis);
+  return sf->evaluate_moved_if_good(calc_derivs, moved_pis, reset_pis);
 }
 
 double Restraint::evaluate_if_good(bool calc_derivs) const {
@@ -238,19 +240,22 @@ void Restraint::do_add_score_and_derivatives(ScoreAccumulator sa) const {
 }
 
 void Restraint::do_add_score_and_derivatives_moved(
-                ScoreAccumulator sa, const ParticleIndexes &moved_pis) const {
+                ScoreAccumulator sa, const ParticleIndexes &moved_pis,
+                const ParticleIndexes &reset_pis) const {
   IMP_OBJECT_LOG;
   if (!sa.get_abort_evaluation()) {
     double score;
     if (sa.get_is_evaluate_if_below()) {
       score = unprotected_evaluate_moved_if_below(
-                 sa.get_derivative_accumulator(), moved_pis, sa.get_maximum());
+                 sa.get_derivative_accumulator(), moved_pis,
+                 reset_pis, sa.get_maximum());
     } else if (sa.get_is_evaluate_if_good()) {
       score = unprotected_evaluate_moved_if_good(
-                 sa.get_derivative_accumulator(), moved_pis, sa.get_maximum());
+                 sa.get_derivative_accumulator(), moved_pis,
+                 reset_pis, sa.get_maximum());
     } else {
       score = unprotected_evaluate_moved(sa.get_derivative_accumulator(),
-                                         moved_pis);
+                                         moved_pis, reset_pis);
     }
     IMP_LOG_TERSE("Adding " << score << " from restraint " << get_name()
                             << std::endl);
@@ -273,14 +278,15 @@ void Restraint::add_score_and_derivatives(ScoreAccumulator sa) const {
 }
 
 void Restraint::add_score_and_derivatives_moved(
-                ScoreAccumulator sa, const ParticleIndexes &moved_pis) const {
+                ScoreAccumulator sa, const ParticleIndexes &moved_pis,
+                const ParticleIndexes &reset_pis) const {
   IMP_OBJECT_LOG;
   // implement these in macros to avoid extra virtual function call
   ScoreAccumulator nsa(sa, this);
   validate_inputs();
   validate_outputs();
-  IMP_TASK_SHARED((nsa), (moved_pis),
-                  do_add_score_and_derivatives_moved(nsa, moved_pis),
+  IMP_TASK_SHARED((nsa), (moved_pis, reset_pis),
+                  do_add_score_and_derivatives_moved(nsa, moved_pis, reset_pis),
                   "add score and derivatives");
   set_was_used(true);
 }
diff --git a/modules/kernel/src/RestraintSet.cpp b/modules/kernel/src/RestraintSet.cpp
index c4af8f22c0..07407313dc 100644
--- a/modules/kernel/src/RestraintSet.cpp
+++ b/modules/kernel/src/RestraintSet.cpp
@@ -59,11 +59,13 @@ void RestraintSet::do_add_score_and_derivatives(ScoreAccumulator sa) const {
 }
 
 void RestraintSet::do_add_score_and_derivatives_moved(
-                ScoreAccumulator sa, const ParticleIndexes &moved_pis) const {
+                ScoreAccumulator sa, const ParticleIndexes &moved_pis,
+                const ParticleIndexes &reset_pis) const {
   // If we only want the score, and only a single particle moved, only
   // evaluate the restraints that depend on that particle, and use the
   // last score for the rest
-  if (!sa.get_derivative_accumulator() && moved_pis.size() == 1) {
+  if (!sa.get_derivative_accumulator() && moved_pis.size() == 1
+      && reset_pis.size() == 0) {
     const std::set<Restraint *> &rsset
            = get_model()->get_dependent_restraints(moved_pis[0]);
     for (unsigned int i = 0; i < get_number_of_restraints(); ++i) {
@@ -75,7 +77,7 @@ void RestraintSet::do_add_score_and_derivatives_moved(
           r->add_score_and_derivatives(sa);
         } else {
 #if IMP_HAS_CHECKS >= IMP_INTERNAL
-          r->add_score_and_derivatives_moved(sa, moved_pis);
+          r->add_score_and_derivatives_moved(sa, moved_pis, reset_pis);
           IMP_INTERNAL_CHECK_FLOAT_EQUAL(
                  r->get_last_score(), last_score,
                  "Restraint " << *r
@@ -85,7 +87,7 @@ void RestraintSet::do_add_score_and_derivatives_moved(
 #endif
         }
       } else {
-        r->add_score_and_derivatives_moved(sa, moved_pis);
+        r->add_score_and_derivatives_moved(sa, moved_pis, reset_pis);
       }
     }
   } else {
diff --git a/modules/kernel/src/ScoringFunction.cpp b/modules/kernel/src/ScoringFunction.cpp
index 8621d187fd..f612f4ad62 100644
--- a/modules/kernel/src/ScoringFunction.cpp
+++ b/modules/kernel/src/ScoringFunction.cpp
@@ -69,8 +69,9 @@ double ScoringFunction::evaluate(bool derivatives) {
 }
 
 const ScoreStatesTemp& ScoringFunction::get_moved_required_score_states(
-                               const ParticleIndexes &moved_pis) {
-  if (moved_pis.size() == 1) {
+                               const ParticleIndexes &moved_pis,
+                               const ParticleIndexes &reset_pis) {
+  if (moved_pis.size() == 1 && reset_pis.size() == 0) {
     // Clear cache if dependencies changed
     unsigned dependencies_age = get_model()->get_dependencies_updated();
     if (moved_particles_cache_age_ != dependencies_age) {
@@ -86,19 +87,22 @@ const ScoreStatesTemp& ScoringFunction::get_moved_required_score_states(
 }
 
 double ScoringFunction::evaluate_moved(bool derivatives,
-                                       const ParticleIndexes &moved_pis) {
+                                       const ParticleIndexes &moved_pis,
+                                       const ParticleIndexes &reset_pis) {
   IMP_OBJECT_LOG;
   set_was_used(true);
   es_.score = 0;
   es_.good = true;
   const ScoreAccumulator sa = get_score_accumulator(derivatives);
   do_add_score_and_derivatives_moved(
-        sa, moved_pis, get_moved_required_score_states(moved_pis));
+        sa, moved_pis, reset_pis,
+        get_moved_required_score_states(moved_pis, reset_pis));
   return es_.score;
 }
 
 double ScoringFunction::evaluate_moved_if_below(bool derivatives,
                                        const ParticleIndexes &moved_pis,
+                                       const ParticleIndexes &reset_pis,
                                        double max) {
   IMP_OBJECT_LOG;
   set_was_used(true);
@@ -106,19 +110,22 @@ double ScoringFunction::evaluate_moved_if_below(bool derivatives,
   es_.good = true;
   const ScoreAccumulator sa = get_score_accumulator_if_below(derivatives, max);
   do_add_score_and_derivatives_moved(
-        sa, moved_pis, get_moved_required_score_states(moved_pis));
+        sa, moved_pis, reset_pis,
+        get_moved_required_score_states(moved_pis, reset_pis));
   return es_.score;
 }
 
 double ScoringFunction::evaluate_moved_if_good(bool derivatives,
-                                       const ParticleIndexes &moved_pis) {
+                                       const ParticleIndexes &moved_pis,
+                                       const ParticleIndexes &reset_pis) {
   IMP_OBJECT_LOG;
   set_was_used(true);
   es_.score = 0;
   es_.good = true;
   const ScoreAccumulator sa = get_score_accumulator_if_good(derivatives);
   do_add_score_and_derivatives_moved(
-        sa, moved_pis, get_moved_required_score_states(moved_pis));
+        sa, moved_pis, reset_pis,
+        get_moved_required_score_states(moved_pis, reset_pis));
   return es_.score;
 }
 
diff --git a/modules/kernel/src/internal/restraint_evaluation.cpp b/modules/kernel/src/internal/restraint_evaluation.cpp
index b88b850839..b67d1f6930 100644
--- a/modules/kernel/src/internal/restraint_evaluation.cpp
+++ b/modules/kernel/src/internal/restraint_evaluation.cpp
@@ -93,24 +93,25 @@ void do_evaluate_one(IMP::ScoreAccumulator sa, RS *restraint,
 
 template <class RS>
 void do_evaluate_one_moved(IMP::ScoreAccumulator sa, RS *restraint,
-                     const ParticleIndexes &moved_pis, Model *m) {
+                     const ParticleIndexes &moved_pis,
+                     const ParticleIndexes &reset_pis, Model *m) {
 #if IMP_HAS_CHECKS >= IMP_INTERNAL
   if (m->first_call_) {
     try {
       SetNumberOfThreads no(1);
       check_restraint_and_masks<RS>(restraint, m);
-      restraint->add_score_and_derivatives_moved(sa, moved_pis);
+      restraint->add_score_and_derivatives_moved(sa, moved_pis, reset_pis);
     }
     catch (const InputOutputException &d) {
       IMP_FAILURE(d.get_message(restraint));
     }
   } else {
     IMP_CHECK_OBJECT(restraint);
-    restraint->add_score_and_derivatives_moved(sa, moved_pis);
+    restraint->add_score_and_derivatives_moved(sa, moved_pis, reset_pis);
   }
 #else
   IMP_UNUSED(m);
-  restraint->add_score_and_derivatives_moved(sa, moved_pis);
+  restraint->add_score_and_derivatives_moved(sa, moved_pis, reset_pis);
 #endif
 }
 
@@ -136,6 +137,7 @@ template <class RS>
 void protected_evaluate_many_moved(IMP::ScoreAccumulator sa,
                              const RS &restraints,
                              const ParticleIndexes &moved_pis,
+                             const ParticleIndexes &reset_pis,
                              const ScoreStatesTemp &states, Model *m) {
   before_protected_evaluate(m, states, sa.get_derivative_accumulator());
   internal::SFSetIt<IMP::internal::Stage> reset(&m->cur_stage_,
@@ -144,7 +146,7 @@ void protected_evaluate_many_moved(IMP::ScoreAccumulator sa,
     // todo: skip restraints that don't take moved_pis as input
     for (unsigned int i = 0; i < restraints.size(); ++i) {
       IMP_CHECK_OBJECT(restraints[i].get());
-      do_evaluate_one_moved(sa, restraints[i].get(), moved_pis, m);
+      do_evaluate_one_moved(sa, restraints[i].get(), moved_pis, reset_pis, m);
     }
     IMP_OMP_PRAGMA(taskwait)
     IMP_OMP_PRAGMA(flush)
@@ -164,11 +166,12 @@ void unprotected_evaluate_one(IMP::ScoreAccumulator sa, RS *restraint,
 template <class RS>
 void unprotected_evaluate_one_moved(IMP::ScoreAccumulator sa, RS *restraint,
                                     const ParticleIndexes &moved_pis,
+                                    const ParticleIndexes &reset_pis,
                                     Model *m) {
   IMP_CHECK_OBJECT(restraint);
   internal::SFSetIt<IMP::internal::Stage> reset(&m->cur_stage_,
                                                 internal::EVALUATING);
-  do_evaluate_one_moved(sa, restraint, moved_pis, m);
+  do_evaluate_one_moved(sa, restraint, moved_pis, reset_pis, m);
 }
 
 template <class RS>
@@ -186,10 +189,11 @@ void protected_evaluate_one(IMP::ScoreAccumulator sa, RS *restraint,
 template <class RS>
 void protected_evaluate_one_moved(IMP::ScoreAccumulator sa, RS *restraint,
                                   const ParticleIndexes &moved_pis,
+                                  const ParticleIndexes &reset_pis,
                                   const ScoreStatesTemp &states, Model *m) {
   before_protected_evaluate(m, states, sa.get_derivative_accumulator());
   {
-    unprotected_evaluate_one_moved(sa, restraint, moved_pis, m);
+    unprotected_evaluate_one_moved(sa, restraint, moved_pis, reset_pis, m);
     IMP_OMP_PRAGMA(taskwait)
     IMP_OMP_PRAGMA(flush)
   }
@@ -218,16 +222,19 @@ void protected_evaluate(IMP::ScoreAccumulator sa,
 void protected_evaluate_moved(IMP::ScoreAccumulator sa,
                         const RestraintsTemp &restraints,
                         const ParticleIndexes &moved_pis,
+                        const ParticleIndexes &reset_pis,
                         const ScoreStatesTemp &states, Model *m) {
   protected_evaluate_many_moved<RestraintsTemp>(sa, restraints, moved_pis,
-                                                states, m);
+                                                reset_pis, states, m);
 }
 
 void protected_evaluate_moved(IMP::ScoreAccumulator sa,
                         Restraint *restraint,
                         const ParticleIndexes &moved_pis,
+                        const ParticleIndexes &reset_pis,
                         const ScoreStatesTemp &states, Model *m) {
-  protected_evaluate_one_moved<Restraint>(sa, restraint, moved_pis, states, m);
+  protected_evaluate_one_moved<Restraint>(sa, restraint, moved_pis, reset_pis,
+                                          states, m);
 }
 
 IMPKERNEL_END_INTERNAL_NAMESPACE
diff --git a/modules/kernel/test/test_restraint_sets.py b/modules/kernel/test/test_restraint_sets.py
index 3d0bbdd5c6..bf7f0381d2 100644
--- a/modules/kernel/test/test_restraint_sets.py
+++ b/modules/kernel/test/test_restraint_sets.py
@@ -36,7 +36,7 @@ def unprotected_evaluate(self, accum):
         self.moved_evaluate = False
         return self.value
 
-    def unprotected_evaluate_moved(self, accum, moved_pis):
+    def unprotected_evaluate_moved(self, accum, moved_pis, reset_pis):
         self.moved_evaluate = True
         return self.value
 
@@ -138,14 +138,14 @@ def clear_restraints():
         # If we move p1, r1 should be evaluate_moved, r4 skipped
         # (and score should be unchanged, of course)
         clear_restraints()
-        self.assertAlmostEqual(rs.evaluate_moved(False, [p1]),
+        self.assertAlmostEqual(rs.evaluate_moved(False, [p1], []),
                                110.0, delta=1e-6)
         assert_restraint_evaluate_moved(r1)
         assert_restraint_skipped(r4)
 
         # No restraints depend on p2
         clear_restraints()
-        self.assertAlmostEqual(rs.evaluate_moved(False, [p2]),
+        self.assertAlmostEqual(rs.evaluate_moved(False, [p2], []),
                                110.0, delta=1e-6)
         assert_restraint_skipped(r1)
         assert_restraint_skipped(r4)
@@ -153,14 +153,14 @@ def clear_restraints():
         # If we move p3, p4 is touched (by the LinkScoreState) so r4 should
         # be evaluate_moved
         clear_restraints()
-        self.assertAlmostEqual(rs.evaluate_moved(False, [p3]),
+        self.assertAlmostEqual(rs.evaluate_moved(False, [p3], []),
                                110.0, delta=1e-6)
         assert_restraint_skipped(r1)
         assert_restraint_evaluate_moved(r4)
 
         # p4 causes r4 to be updated
         clear_restraints()
-        self.assertAlmostEqual(rs.evaluate_moved(False, [p4]),
+        self.assertAlmostEqual(rs.evaluate_moved(False, [p4], []),
                                110.0, delta=1e-6)
         assert_restraint_skipped(r1)
         assert_restraint_evaluate_moved(r4)
@@ -168,7 +168,7 @@ def clear_restraints():
         # Moves of multiple particles are not currently handled and will
         # fall back to plain evaluate
         clear_restraints()
-        self.assertAlmostEqual(rs.evaluate_moved(False, [p1, p2]),
+        self.assertAlmostEqual(rs.evaluate_moved(False, [p1, p2], []),
                                110.0, delta=1e-6)
         assert_restraint_evaluate(r1)
         assert_restraint_evaluate(r4)
@@ -176,28 +176,28 @@ def clear_restraints():
         # Moves with derivatives are not currently handled and will
         # fall back to plain evaluate
         clear_restraints()
-        self.assertAlmostEqual(rs.evaluate_moved(True, [p1]),
+        self.assertAlmostEqual(rs.evaluate_moved(True, [p1], []),
                                110.0, delta=1e-6)
         assert_restraint_evaluate(r1)
         assert_restraint_evaluate(r4)
 
         # Changes in weights should be handled
         innerrs.set_weight(2.)
-        self.assertAlmostEqual(rs.evaluate_moved(False, [p1]),
+        self.assertAlmostEqual(rs.evaluate_moved(False, [p1], []),
                                220.0, delta=1e-6)
         innerrs.set_weight(1.)
 
         # Changing weight of an evaluated restraint should be OK
         r1.set_weight(2.)
         clear_restraints()
-        self.assertAlmostEqual(rs.evaluate_moved(False, [p1]),
+        self.assertAlmostEqual(rs.evaluate_moved(False, [p1], []),
                                210.0, delta=1e-6)
         assert_restraint_evaluate_moved(r1)
         assert_restraint_skipped(r4)
 
         # Changing weight of a skipped restraint should be OK
         clear_restraints()
-        self.assertAlmostEqual(rs.evaluate_moved(False, [p4]),
+        self.assertAlmostEqual(rs.evaluate_moved(False, [p4], []),
                                210.0, delta=1e-6)
         assert_restraint_skipped(r1)
         assert_restraint_evaluate_moved(r4)
@@ -207,7 +207,7 @@ def clear_restraints():
         clear_restraints()
         ss2 = LinkScoreState(m, p1, p4)
         m.add_score_state(ss2)
-        self.assertAlmostEqual(rs.evaluate_moved(False, [p1]),
+        self.assertAlmostEqual(rs.evaluate_moved(False, [p1], []),
                                210.0, delta=1e-6)
         assert_restraint_evaluate_moved(r1)
         assert_restraint_evaluate_moved(r4)
@@ -217,7 +217,7 @@ def clear_restraints():
         r3 = LogRestraint(m, [p3], 30.0)
         r3.moved_evaluate = None
         innerrs.add_restraint(r3)
-        self.assertAlmostEqual(rs.evaluate_moved(False, [p4]),
+        self.assertAlmostEqual(rs.evaluate_moved(False, [p4], []),
                                240.0, delta=1e-6)
         assert_restraint_skipped(r1)
         assert_restraint_evaluate(r3)
diff --git a/modules/kernel/test/test_score_state.py b/modules/kernel/test/test_score_state.py
index 694954887e..c8dc038e9f 100644
--- a/modules/kernel/test/test_score_state.py
+++ b/modules/kernel/test/test_score_state.py
@@ -94,22 +94,23 @@ def assert_score_states(meth, exp_ss, *args):
         assert_score_states(r.evaluate, [noskip, s12, s2, s3])
 
         # evaluate_moved with more than one particle should call all states
-        assert_score_states(r.evaluate_moved, [noskip, s12, s2, s3], [p1, p2])
+        assert_score_states(r.evaluate_moved, [noskip, s12, s2, s3], [p1, p2],
+                            [])
 
         # p1 is direct input for s12 and indirect for s2
-        assert_score_states(r.evaluate_moved, [noskip, s12, s2], [p1])
+        assert_score_states(r.evaluate_moved, [noskip, s12, s2], [p1], [])
 
         # p2 is input for s2 and output for s21
-        assert_score_states(r.evaluate_moved, [noskip, s12, s2], [p2])
+        assert_score_states(r.evaluate_moved, [noskip, s12, s2], [p2], [])
 
         # p3 is input for s3
-        assert_score_states(r.evaluate_moved, [noskip, s3], [p3])
+        assert_score_states(r.evaluate_moved, [noskip, s3], [p3], [])
 
         # p4 is input for noskip
-        assert_score_states(r.evaluate_moved, [noskip], [p4])
+        assert_score_states(r.evaluate_moved, [noskip], [p4], [])
 
         # p5 does not affect any can_skip state
-        assert_score_states(r.evaluate_moved, [noskip], [p5])
+        assert_score_states(r.evaluate_moved, [noskip], [p5], [])
 
 
 if __name__ == '__main__':

From f374839096e4572221e9ea6f5eaaa54d4191f59a Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 25 Aug 2021 19:06:03 -0700
Subject: [PATCH 170/250] Match changed method signature in MonteCarlo

---
 modules/spb/src/MonteCarloWithWte.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/spb/src/MonteCarloWithWte.cpp b/modules/spb/src/MonteCarloWithWte.cpp
index 9efab45dcc..d64595256f 100644
--- a/modules/spb/src/MonteCarloWithWte.cpp
+++ b/modules/spb/src/MonteCarloWithWte.cpp
@@ -104,7 +104,7 @@ void MonteCarloWithWte::do_step() {
     energy = rset_->evaluate(false);
   }
   bool do_accept = do_accept_or_reject_move(totenergy + get_bias(energy),
-                                            moved.get_proposal_ratio());
+                                            moved);
   if (do_accept) update_bias(energy);
 }
 

From 381ec12cd8e82bec85c9fe78429ac47bc1b72bcf Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 25 Aug 2021 21:54:07 -0700
Subject: [PATCH 171/250] Speed up RestraintSet when both moved&reset set

If a particle is reset, we can use restraint scores
from the last-but-one evaluate, rather than
reclculating them.
---
 modules/kernel/include/Restraint.h    | 13 +++-
 modules/kernel/include/RestraintSet.h |  1 +
 modules/kernel/src/Restraint.cpp      |  3 +-
 modules/kernel/src/RestraintSet.cpp   | 92 ++++++++++++++++++++++-----
 4 files changed, 92 insertions(+), 17 deletions(-)

diff --git a/modules/kernel/include/Restraint.h b/modules/kernel/include/Restraint.h
index e4908205ed..9a1aef74d9 100644
--- a/modules/kernel/include/Restraint.h
+++ b/modules/kernel/include/Restraint.h
@@ -263,7 +263,11 @@ class IMPKERNELEXPORT Restraint : public ModelObject {
           create_scoring_function(double weight = 1.0,
                                   double max = NO_MAX) const;
 #if !defined(IMP_DOXYGEN)
-  void set_last_score(double s) const { last_score_ = s; }
+  void set_last_score(double s) const {
+    last_last_score_ = last_score_;
+    last_score_ = s;
+  }
+  void set_last_last_score(double s) const { last_last_score_ = s; }
 #endif
 
   /** Return the (unweighted) score for this restraint last time it was
@@ -272,6 +276,12 @@ class IMPKERNELEXPORT Restraint : public ModelObject {
       was the last call, the score, if larger than the max, is not accurate.
    */
   virtual double get_last_score() const { return last_score_; }
+
+  //! Get the unweighted score from the last-but-one time it was evaluated
+  /** \see get_last_score
+    */
+  virtual double get_last_last_score() const { return last_last_score_; }
+
   /** Return whether this restraint violated its maximum last time it was
       evaluated.
    */
@@ -315,6 +325,7 @@ class IMPKERNELEXPORT Restraint : public ModelObject {
   double weight_;
   double max_;
   mutable double last_score_;
+  mutable double last_last_score_;
   // cannot be released outside the class
   mutable Pointer<ScoringFunction> cached_internal_scoring_function_;
 };
diff --git a/modules/kernel/include/RestraintSet.h b/modules/kernel/include/RestraintSet.h
index c077206a56..f0a3e91521 100644
--- a/modules/kernel/include/RestraintSet.h
+++ b/modules/kernel/include/RestraintSet.h
@@ -78,6 +78,7 @@ class IMPKERNELEXPORT RestraintSet : public Restraint {
       double max = std::numeric_limits<double>::max()) const IMP_OVERRIDE;
 #endif
   double get_last_score() const IMP_OVERRIDE;
+  double get_last_last_score() const IMP_OVERRIDE;
 #if !defined(IMP_DOXYGEN) && !defined(SWIG)
  protected:
   Restraints do_create_decomposition() const IMP_OVERRIDE;
diff --git a/modules/kernel/src/Restraint.cpp b/modules/kernel/src/Restraint.cpp
index 4661ff016e..7b33bb5bf8 100644
--- a/modules/kernel/src/Restraint.cpp
+++ b/modules/kernel/src/Restraint.cpp
@@ -27,7 +27,8 @@ const double NO_MAX = std::numeric_limits<double>::max();
 const double BAD_SCORE = NO_MAX;
 
 Restraint::Restraint(Model *m, std::string name)
-    : ModelObject(m, name), weight_(1), max_(NO_MAX), last_score_(BAD_SCORE) {}
+    : ModelObject(m, name), weight_(1), max_(NO_MAX), last_score_(BAD_SCORE),
+      last_last_score_(BAD_SCORE) {}
 
 double Restraint::evaluate(bool calc_derivs) const {
   IMP_OBJECT_LOG;
diff --git a/modules/kernel/src/RestraintSet.cpp b/modules/kernel/src/RestraintSet.cpp
index 07407313dc..9180a3a185 100644
--- a/modules/kernel/src/RestraintSet.cpp
+++ b/modules/kernel/src/RestraintSet.cpp
@@ -58,6 +58,30 @@ void RestraintSet::do_add_score_and_derivatives(ScoreAccumulator sa) const {
   IMP_OMP_PRAGMA(taskwait)
 }
 
+namespace {
+void add_last_score_restraint(Restraint *r, ScoreAccumulator &sa,
+#if IMP_HAS_CHECKS >= IMP_INTERNAL
+                              const ParticleIndexes &moved_pis,
+                              const ParticleIndexes &reset_pis,
+#endif
+                              double last_score) {
+  // If the restraint is new, get the full score
+  if (last_score == NO_MAX) {
+    r->add_score_and_derivatives(sa);
+  } else {
+#if IMP_HAS_CHECKS >= IMP_INTERNAL
+    r->add_score_and_derivatives_moved(sa, moved_pis, reset_pis);
+    IMP_INTERNAL_CHECK_FLOAT_EQUAL(
+           r->get_last_score(), last_score,
+           "Restraint " << *r
+           << " changed score even though particles didn't move");
+#else
+    sa.add_score(last_score * r->get_weight());
+#endif
+  }
+}
+}
+
 void RestraintSet::do_add_score_and_derivatives_moved(
                 ScoreAccumulator sa, const ParticleIndexes &moved_pis,
                 const ParticleIndexes &reset_pis) const {
@@ -65,29 +89,59 @@ void RestraintSet::do_add_score_and_derivatives_moved(
   // evaluate the restraints that depend on that particle, and use the
   // last score for the rest
   if (!sa.get_derivative_accumulator() && moved_pis.size() == 1
-      && reset_pis.size() == 0) {
+      && (reset_pis.size() == 0
+          || (reset_pis.size() == 1 && reset_pis[0] == moved_pis[0]))) {
     const std::set<Restraint *> &rsset
            = get_model()->get_dependent_restraints(moved_pis[0]);
     for (unsigned int i = 0; i < get_number_of_restraints(); ++i) {
       Restraint *r = get_restraint(i);
-      if (rsset.find(r) == rsset.end()) {
-        double last_score = r->get_last_score();
-        // If the restraint is new, get the full score
-        if (last_score == NO_MAX) {
-          r->add_score_and_derivatives(sa);
-        } else {
+      if (rsset.find(r) != rsset.end()) {
+        r->add_score_and_derivatives_moved(sa, moved_pis, reset_pis);
+      } else {
+        add_last_score_restraint(r, sa,
 #if IMP_HAS_CHECKS >= IMP_INTERNAL
-          r->add_score_and_derivatives_moved(sa, moved_pis, reset_pis);
-          IMP_INTERNAL_CHECK_FLOAT_EQUAL(
-                 r->get_last_score(), last_score,
-                 "Restraint " << *r
-                 << " changed score even though particles didn't move");
-#else
-          sa.add_score(last_score * r->get_weight());
+                                 moved_pis, reset_pis,
 #endif
+                                 r->get_last_score());
+      }
+    }
+  // If we have *both* moved and reset particles, we need to check each
+  // restraint for both
+  } else if (!sa.get_derivative_accumulator() && moved_pis.size() == 1
+             && reset_pis.size() == 1) {
+    const std::set<Restraint *> &moved_set
+           = get_model()->get_dependent_restraints(moved_pis[0]);
+    const std::set<Restraint *> &reset_set
+           = get_model()->get_dependent_restraints(reset_pis[0]);
+    for (unsigned int i = 0; i < get_number_of_restraints(); ++i) {
+      Restraint *r = get_restraint(i);
+      // must check moved first, since if a given restraint is affected by
+      // *both* moved and reset particles, we need to recalculate it
+      if (moved_set.find(r) != moved_set.end()) {
+        // preserve last-last score if reset
+        if (reset_set.find(r) != reset_set.end()) {
+          double last_last_score = r->get_last_last_score();
+          r->add_score_and_derivatives_moved(sa, moved_pis, reset_pis);
+          r->set_last_last_score(last_last_score);
+        } else {
+          r->add_score_and_derivatives_moved(sa, moved_pis, reset_pis);
         }
+      } else if (reset_set.find(r) != reset_set.end()) {
+        // If reset, we can use the last-but-one score
+        double score = r->get_last_last_score();
+        add_last_score_restraint(r, sa,
+#if IMP_HAS_CHECKS >= IMP_INTERNAL
+                                 moved_pis, reset_pis,
+#endif
+                                 score);
+        r->set_last_score(score);
       } else {
-        r->add_score_and_derivatives_moved(sa, moved_pis, reset_pis);
+        // If not moved, we can use the last score
+        add_last_score_restraint(r, sa,
+#if IMP_HAS_CHECKS >= IMP_INTERNAL
+                                 moved_pis, reset_pis,
+#endif
+                                 r->get_last_score());
       }
     }
   } else {
@@ -105,6 +159,14 @@ double RestraintSet::get_last_score() const {
   return ret;
 }
 
+double RestraintSet::get_last_last_score() const {
+  double ret = 0;
+  for (unsigned int i = 0; i < get_number_of_restraints(); ++i) {
+    ret += get_restraint(i)->get_last_last_score();
+  }
+  return ret;
+}
+
 std::pair<RestraintsTemp, RestraintSetsTemp>
 RestraintSet::get_non_sets_and_sets() const {
   std::pair<RestraintsTemp, RestraintSetsTemp> ret;

From 964416a280fed5177c3737efa474acf467bf6772 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 26 Aug 2021 00:01:49 -0700
Subject: [PATCH 172/250] Pass moved info to RestraintSet children

While RestraintSet may not be able to currently
accelerate some combinations of moved and reset
particles, contained Restraints may be able to.
---
 modules/kernel/src/RestraintSet.cpp | 5 ++++-
 1 file changed, 4 insertions(+), 1 deletion(-)

diff --git a/modules/kernel/src/RestraintSet.cpp b/modules/kernel/src/RestraintSet.cpp
index 9180a3a185..0ee10ec2da 100644
--- a/modules/kernel/src/RestraintSet.cpp
+++ b/modules/kernel/src/RestraintSet.cpp
@@ -145,7 +145,10 @@ void RestraintSet::do_add_score_and_derivatives_moved(
       }
     }
   } else {
-    do_add_score_and_derivatives(sa);
+    for (unsigned int i = 0; i < get_number_of_restraints(); ++i) {
+      get_restraint(i)->add_score_and_derivatives_moved(
+                                    sa, moved_pis, reset_pis);
+    }
   }
   // for child tasks
   IMP_OMP_PRAGMA(taskwait)

From f3857448f5a86e456b4c824ddc3227ef724f616c Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 26 Aug 2021 00:03:04 -0700
Subject: [PATCH 173/250] Add multi-particle moves to MonteCarlo test

Make sure that our test of MC with set_score_moved(true)
includes some multi-particle moves/resets, so that
all code branches in RestraintSet::evaluate are
exercised.
---
 modules/core/test/test_monte_carlo.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/modules/core/test/test_monte_carlo.py b/modules/core/test/test_monte_carlo.py
index eb210b9160..7ac807a7a2 100644
--- a/modules/core/test/test_monte_carlo.py
+++ b/modules/core/test/test_monte_carlo.py
@@ -22,7 +22,8 @@ def setup_system(coords):
     rs = IMP.RestraintSet(m)
     rs.add_restraints([r1, r2, r3])
     mc.set_scoring_function(rs)
-    ms = [IMP.core.BallMover(m, x, 0.05) for x in ps]
+    ms = [IMP.core.BallMover(m, x, 0.05) for x in ps[:5]]
+    ms.append(IMP.core.BallMover(m, ps[5:8], 0.05))
     mv = IMP.core.SerialMover(ms)
     mc.add_mover(mv)
     # Always reject upwards moves

From b87567610c2fe0eb8edcc5ce3e06e6911ceb3e91 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 26 Aug 2021 00:12:11 -0700
Subject: [PATCH 174/250] Add test of evaluate_moved with reset particles

---
 modules/kernel/test/test_restraint_sets.py | 7 +++++++
 1 file changed, 7 insertions(+)

diff --git a/modules/kernel/test/test_restraint_sets.py b/modules/kernel/test/test_restraint_sets.py
index bf7f0381d2..66ba21dbaa 100644
--- a/modules/kernel/test/test_restraint_sets.py
+++ b/modules/kernel/test/test_restraint_sets.py
@@ -165,6 +165,13 @@ def clear_restraints():
         assert_restraint_skipped(r1)
         assert_restraint_evaluate_moved(r4)
 
+        # reset particles should skip evaluation
+        clear_restraints()
+        self.assertAlmostEqual(rs.evaluate_moved(False, [p2], [p4]),
+                               110.0, delta=1e-6)
+        assert_restraint_skipped(r1)
+        assert_restraint_skipped(r4)
+
         # Moves of multiple particles are not currently handled and will
         # fall back to plain evaluate
         clear_restraints()

From 311b02136bcab29c0b0c54031aa6fcdcd65fb3f1 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 26 Aug 2021 00:15:06 -0700
Subject: [PATCH 175/250] RestraintSet children now get move info

---
 modules/kernel/test/test_restraint_sets.py | 16 ++++++++--------
 1 file changed, 8 insertions(+), 8 deletions(-)

diff --git a/modules/kernel/test/test_restraint_sets.py b/modules/kernel/test/test_restraint_sets.py
index 66ba21dbaa..7412e522eb 100644
--- a/modules/kernel/test/test_restraint_sets.py
+++ b/modules/kernel/test/test_restraint_sets.py
@@ -172,21 +172,21 @@ def clear_restraints():
         assert_restraint_skipped(r1)
         assert_restraint_skipped(r4)
 
-        # Moves of multiple particles are not currently handled and will
-        # fall back to plain evaluate
+        # Moves of multiple particles are not specially handled but will
+        # pass through to evaluate_moved
         clear_restraints()
         self.assertAlmostEqual(rs.evaluate_moved(False, [p1, p2], []),
                                110.0, delta=1e-6)
-        assert_restraint_evaluate(r1)
-        assert_restraint_evaluate(r4)
+        assert_restraint_evaluate_moved(r1)
+        assert_restraint_evaluate_moved(r4)
 
-        # Moves with derivatives are not currently handled and will
-        # fall back to plain evaluate
+        # Moves with derivatives are not specially handled but will
+        # pass through to evaluate_moved
         clear_restraints()
         self.assertAlmostEqual(rs.evaluate_moved(True, [p1], []),
                                110.0, delta=1e-6)
-        assert_restraint_evaluate(r1)
-        assert_restraint_evaluate(r4)
+        assert_restraint_evaluate_moved(r1)
+        assert_restraint_evaluate_moved(r4)
 
         # Changes in weights should be handled
         innerrs.set_weight(2.)

From 57fafb386506beebde1b6bc151811e0667741bed Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 26 Aug 2021 12:20:05 -0700
Subject: [PATCH 176/250] Allow MonteCarlo temperature to be zero

---
 modules/core/include/MonteCarlo.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/core/include/MonteCarlo.h b/modules/core/include/MonteCarlo.h
index dd94ba3e30..afdf3ad693 100644
--- a/modules/core/include/MonteCarlo.h
+++ b/modules/core/include/MonteCarlo.h
@@ -78,7 +78,7 @@ class IMPCOREEXPORT MonteCarlo : public Optimizer {
       @{
   */
   void set_kt(Float t) {
-    IMP_INTERNAL_CHECK(t > 0, "Temperature must be positive");
+    IMP_INTERNAL_CHECK(t >= 0, "Temperature must not be negative");
     temp_ = t;
   }
   Float get_kt() const { return temp_; }

From 2693a3aa655d9762171051e32c7b51f07dd4ee36 Mon Sep 17 00:00:00 2001
From: tanmoy7989 <tanmoy.7989@gmail.com>
Date: Mon, 23 Aug 2021 02:38:27 -0700
Subject: [PATCH 177/250] consistent eigenvector ordering when calculating body
 centric reference frames for rigid bodies

---
 modules/core/src/rigid_bodies.cpp | 19 ++++++++++++-------
 1 file changed, 12 insertions(+), 7 deletions(-)

diff --git a/modules/core/src/rigid_bodies.cpp b/modules/core/src/rigid_bodies.cpp
index e069b80f01..55a5feda72 100644
--- a/modules/core/src/rigid_bodies.cpp
+++ b/modules/core/src/rigid_bodies.cpp
@@ -1005,16 +1005,21 @@ algebra::ReferenceFrame3D get_initial_reference_frame(
   IMP_USAGE_CHECK(mass > 0, "Zero mass when computing axis.");
   v /= mass;
   // IMP_LOG_VERBOSE( "Center of mass is " << v << std::endl);
-  // for a sphere 2/5 m r^2 (diagonal)
-  // parallel axis theorem
-  // I'ij= Iij+M(v^2delta_ij-vi*vj)
-  // compute I
+  /* compute inertia tensor, I
+  Iij= M(v^2 * delta_ij-vi*vj), where delta is the kronecker delta
+  i.e. delta_ij  = 1 only when i == j else 0
+  */
   Eigen::Matrix3d I =
       compute_I(m, ps, v, IMP::algebra::get_identity_rotation_3d());
   // IMP_LOG_VERBOSE( "Initial I is " << I << std::endl);
-  // diagonalize it
-  Eigen::EigenSolver<Eigen::Matrix3d> eig(I);
-  Eigen::Matrix3d rm = eig.eigenvectors().real();
+  
+  /* Inertia tensor is symmetric, thus guaranteeing all real eigenvectors.
+  So use the fastest method provided by Eigen, namely
+  Eigen::SelfAdjointEigenSolver. This also automatically sorts the
+  eigenvalues (and correspondingly, the eigenvectors) in increasing order.
+  */  
+  Eigen::SelfAdjointEigenSolver<Eigen::Matrix3d> eig(I);
+  Eigen::Matrix3d rm = eig.eigenvectors();
   if (rm.determinant() < 0) {
     rm.array() *= -1.0;
   }

From 517508b39bc14328cdfb0410fc272cf190bd31e9 Mon Sep 17 00:00:00 2001
From: tanmoy7989 <tanmoy.7989@gmail.com>
Date: Mon, 23 Aug 2021 14:17:38 -0700
Subject: [PATCH 178/250] added a test for changes made to
 IMP::core::get_initial_reference_frame()

---
 .../core/test/input/1gp2/1gp2_AB_conf1.pdb    | 5444 +++++++++++++++++
 .../core/test/input/1gp2/1gp2_AB_conf2.pdb    | 5444 +++++++++++++++++
 .../core/test/input/1gp2/1gp2_AB_conf3.pdb    | 5444 +++++++++++++++++
 .../core/test/input/1gp2/1gp2_AB_conf4.pdb    | 5444 +++++++++++++++++
 .../core/test/input/1gp2/1gp2_AB_conf5.pdb    | 5444 +++++++++++++++++
 ...test_rigid_body_initial_reference_frame.py |  124 +
 6 files changed, 27344 insertions(+)
 create mode 100644 modules/core/test/input/1gp2/1gp2_AB_conf1.pdb
 create mode 100644 modules/core/test/input/1gp2/1gp2_AB_conf2.pdb
 create mode 100644 modules/core/test/input/1gp2/1gp2_AB_conf3.pdb
 create mode 100644 modules/core/test/input/1gp2/1gp2_AB_conf4.pdb
 create mode 100644 modules/core/test/input/1gp2/1gp2_AB_conf5.pdb
 create mode 100644 modules/core/test/test_rigid_body_initial_reference_frame.py

diff --git a/modules/core/test/input/1gp2/1gp2_AB_conf1.pdb b/modules/core/test/input/1gp2/1gp2_AB_conf1.pdb
new file mode 100644
index 0000000000..610a1d2f5f
--- /dev/null
+++ b/modules/core/test/input/1gp2/1gp2_AB_conf1.pdb
@@ -0,0 +1,5444 @@
+ATOM      1  N   MET A   1     -53.325  -7.350  16.510  1.00 38.75           N  
+ATOM      2  CA  MET A   1     -53.247  -5.957  16.080  1.00 38.75           C  
+ATOM      3  C   MET A   1     -52.046  -5.734  15.168  1.00 38.75           C  
+ATOM      4  CB  MET A   1     -53.165  -5.024  17.290  1.00 38.75           C  
+ATOM      5  O   MET A   1     -50.900  -5.887  15.596  1.00 38.75           O  
+ATOM      6  CG  MET A   1     -54.520  -4.550  17.792  1.00 38.75           C  
+ATOM      7  SD  MET A   1     -54.417  -2.953  18.689  1.00 38.75           S  
+ATOM      8  CE  MET A   1     -54.619  -3.531  20.397  1.00 38.75           C  
+ATOM      9  N   GLY A   2     -52.046  -6.334  14.010  1.00 44.23           N  
+ATOM     10  CA  GLY A   2     -51.280  -6.303  12.775  1.00 44.23           C  
+ATOM     11  C   GLY A   2     -50.529  -5.001  12.571  1.00 44.23           C  
+ATOM     12  O   GLY A   2     -51.137  -3.931  12.501  1.00 44.23           O  
+ATOM     13  N   CYS A   3     -49.552  -4.539  13.391  1.00 46.88           N  
+ATOM     14  CA  CYS A   3     -48.651  -3.402  13.248  1.00 46.88           C  
+ATOM     15  C   CYS A   3     -48.203  -3.239  11.801  1.00 46.88           C  
+ATOM     16  CB  CYS A   3     -47.431  -3.568  14.154  1.00 46.88           C  
+ATOM     17  O   CYS A   3     -47.539  -4.119  11.249  1.00 46.88           O  
+ATOM     18  SG  CYS A   3     -47.586  -2.729  15.746  1.00 46.88           S  
+ATOM     19  N   THR A   4     -49.048  -2.851  10.845  1.00 54.07           N  
+ATOM     20  CA  THR A   4     -48.745  -2.385   9.496  1.00 54.07           C  
+ATOM     21  C   THR A   4     -47.548  -1.439   9.506  1.00 54.07           C  
+ATOM     22  CB  THR A   4     -49.958  -1.676   8.865  1.00 54.07           C  
+ATOM     23  O   THR A   4     -47.399  -0.627  10.422  1.00 54.07           O  
+ATOM     24  CG2 THR A   4     -51.101  -2.655   8.618  1.00 54.07           C  
+ATOM     25  OG1 THR A   4     -50.411  -0.641   9.747  1.00 54.07           O  
+ATOM     26  N   LEU A   5     -46.250  -1.884   9.347  1.00 59.39           N  
+ATOM     27  CA  LEU A   5     -45.053  -1.108   9.041  1.00 59.39           C  
+ATOM     28  C   LEU A   5     -45.415   0.188   8.323  1.00 59.39           C  
+ATOM     29  CB  LEU A   5     -44.086  -1.928   8.183  1.00 59.39           C  
+ATOM     30  O   LEU A   5     -46.364   0.223   7.537  1.00 59.39           O  
+ATOM     31  CG  LEU A   5     -43.320  -3.041   8.900  1.00 59.39           C  
+ATOM     32  CD1 LEU A   5     -42.858  -4.095   7.900  1.00 59.39           C  
+ATOM     33  CD2 LEU A   5     -42.133  -2.466   9.666  1.00 59.39           C  
+ATOM     34  N   SER A   6     -45.070   1.356   8.829  1.00 77.21           N  
+ATOM     35  CA  SER A   6     -45.183   2.660   8.184  1.00 77.21           C  
+ATOM     36  C   SER A   6     -44.611   2.630   6.771  1.00 77.21           C  
+ATOM     37  CB  SER A   6     -44.468   3.730   9.009  1.00 77.21           C  
+ATOM     38  O   SER A   6     -43.837   1.734   6.428  1.00 77.21           O  
+ATOM     39  OG  SER A   6     -43.063   3.634   8.849  1.00 77.21           O  
+ATOM     40  N   ALA A   7     -45.247   3.237   5.742  1.00 80.23           N  
+ATOM     41  CA  ALA A   7     -44.827   3.366   4.349  1.00 80.23           C  
+ATOM     42  C   ALA A   7     -43.328   3.637   4.250  1.00 80.23           C  
+ATOM     43  CB  ALA A   7     -45.612   4.478   3.658  1.00 80.23           C  
+ATOM     44  O   ALA A   7     -42.649   3.093   3.376  1.00 80.23           O  
+ATOM     45  N   GLU A   8     -42.776   4.406   5.208  1.00 78.74           N  
+ATOM     46  CA  GLU A   8     -41.356   4.744   5.225  1.00 78.74           C  
+ATOM     47  C   GLU A   8     -40.504   3.533   5.595  1.00 78.74           C  
+ATOM     48  CB  GLU A   8     -41.088   5.894   6.199  1.00 78.74           C  
+ATOM     49  O   GLU A   8     -39.452   3.301   4.996  1.00 78.74           O  
+ATOM     50  CG  GLU A   8     -41.508   7.258   5.672  1.00 78.74           C  
+ATOM     51  CD  GLU A   8     -41.293   8.381   6.674  1.00 78.74           C  
+ATOM     52  OE1 GLU A   8     -41.676   9.536   6.382  1.00 78.74           O  
+ATOM     53  OE2 GLU A   8     -40.736   8.103   7.759  1.00 78.74           O  
+ATOM     54  N   ASP A   9     -40.967   2.762   6.576  1.00 83.07           N  
+ATOM     55  CA  ASP A   9     -40.270   1.556   7.012  1.00 83.07           C  
+ATOM     56  C   ASP A   9     -40.274   0.493   5.916  1.00 83.07           C  
+ATOM     57  CB  ASP A   9     -40.906   0.999   8.287  1.00 83.07           C  
+ATOM     58  O   ASP A   9     -39.274  -0.198   5.710  1.00 83.07           O  
+ATOM     59  CG  ASP A   9     -40.587   1.827   9.520  1.00 83.07           C  
+ATOM     60  OD1 ASP A   9     -39.629   2.629   9.484  1.00 83.07           O  
+ATOM     61  OD2 ASP A   9     -41.297   1.672  10.537  1.00 83.07           O  
+ATOM     62  N   LYS A  10     -41.377   0.411   5.162  1.00 86.65           N  
+ATOM     63  CA  LYS A  10     -41.475  -0.531   4.051  1.00 86.65           C  
+ATOM     64  C   LYS A  10     -40.506  -0.163   2.931  1.00 86.65           C  
+ATOM     65  CB  LYS A  10     -42.905  -0.578   3.512  1.00 86.65           C  
+ATOM     66  O   LYS A  10     -39.860  -1.037   2.350  1.00 86.65           O  
+ATOM     67  CG  LYS A  10     -43.875  -1.349   4.395  1.00 86.65           C  
+ATOM     68  CD  LYS A  10     -45.259  -1.434   3.765  1.00 86.65           C  
+ATOM     69  CE  LYS A  10     -46.249  -2.142   4.680  1.00 86.65           C  
+ATOM     70  NZ  LYS A  10     -47.613  -2.207   4.076  1.00 86.65           N  
+ATOM     71  N   ALA A  11     -40.425   1.141   2.669  1.00 86.32           N  
+ATOM     72  CA  ALA A  11     -39.514   1.622   1.634  1.00 86.32           C  
+ATOM     73  C   ALA A  11     -38.061   1.348   2.012  1.00 86.32           C  
+ATOM     74  CB  ALA A  11     -39.725   3.115   1.392  1.00 86.32           C  
+ATOM     75  O   ALA A  11     -37.254   0.963   1.163  1.00 86.32           O  
+ATOM     76  N   ALA A  12     -37.748   1.515   3.303  1.00 86.56           N  
+ATOM     77  CA  ALA A  12     -36.400   1.275   3.813  1.00 86.56           C  
+ATOM     78  C   ALA A  12     -36.014  -0.195   3.674  1.00 86.56           C  
+ATOM     79  CB  ALA A  12     -36.297   1.713   5.272  1.00 86.56           C  
+ATOM     80  O   ALA A  12     -34.896  -0.513   3.263  1.00 86.56           O  
+ATOM     81  N   VAL A  13     -36.887  -1.077   3.988  1.00 89.09           N  
+ATOM     82  CA  VAL A  13     -36.664  -2.516   3.886  1.00 89.09           C  
+ATOM     83  C   VAL A  13     -36.475  -2.907   2.422  1.00 89.09           C  
+ATOM     84  CB  VAL A  13     -37.832  -3.316   4.506  1.00 89.09           C  
+ATOM     85  O   VAL A  13     -35.598  -3.710   2.096  1.00 89.09           O  
+ATOM     86  CG1 VAL A  13     -37.684  -4.807   4.206  1.00 89.09           C  
+ATOM     87  CG2 VAL A  13     -37.903  -3.075   6.012  1.00 89.09           C  
+ATOM     88  N   GLU A  14     -37.313  -2.326   1.527  1.00 90.60           N  
+ATOM     89  CA  GLU A  14     -37.213  -2.620   0.100  1.00 90.60           C  
+ATOM     90  C   GLU A  14     -35.869  -2.168  -0.463  1.00 90.60           C  
+ATOM     91  CB  GLU A  14     -38.356  -1.953  -0.668  1.00 90.60           C  
+ATOM     92  O   GLU A  14     -35.252  -2.879  -1.259  1.00 90.60           O  
+ATOM     93  CG  GLU A  14     -39.699  -2.650  -0.500  1.00 90.60           C  
+ATOM     94  CD  GLU A  14     -40.814  -2.008  -1.310  1.00 90.60           C  
+ATOM     95  OE1 GLU A  14     -41.950  -2.533  -1.301  1.00 90.60           O  
+ATOM     96  OE2 GLU A  14     -40.548  -0.972  -1.960  1.00 90.60           O  
+ATOM     97  N   ARG A  15     -35.476  -1.029  -0.027  1.00 89.17           N  
+ATOM     98  CA  ARG A  15     -34.173  -0.524  -0.448  1.00 89.17           C  
+ATOM     99  C   ARG A  15     -33.052  -1.449   0.013  1.00 89.17           C  
+ATOM    100  CB  ARG A  15     -33.943   0.889   0.093  1.00 89.17           C  
+ATOM    101  O   ARG A  15     -32.126  -1.739  -0.748  1.00 89.17           O  
+ATOM    102  CG  ARG A  15     -34.673   1.972  -0.684  1.00 89.17           C  
+ATOM    103  CD  ARG A  15     -34.164   3.362  -0.328  1.00 89.17           C  
+ATOM    104  NE  ARG A  15     -34.431   3.693   1.069  1.00 89.17           N  
+ATOM    105  NH1 ARG A  15     -35.982   5.339   0.598  1.00 89.17           N  
+ATOM    106  NH2 ARG A  15     -35.455   4.843   2.773  1.00 89.17           N  
+ATOM    107  CZ  ARG A  15     -35.289   4.624   1.477  1.00 89.17           C  
+ATOM    108  N   SER A  16     -33.095  -1.836   1.233  1.00 91.12           N  
+ATOM    109  CA  SER A  16     -32.113  -2.751   1.806  1.00 91.12           C  
+ATOM    110  C   SER A  16     -32.090  -4.078   1.055  1.00 91.12           C  
+ATOM    111  CB  SER A  16     -32.409  -2.999   3.286  1.00 91.12           C  
+ATOM    112  O   SER A  16     -31.021  -4.642   0.811  1.00 91.12           O  
+ATOM    113  OG  SER A  16     -31.431  -3.849   3.859  1.00 91.12           O  
+ATOM    114  N   LYS A  17     -33.220  -4.600   0.681  1.00 92.53           N  
+ATOM    115  CA  LYS A  17     -33.301  -5.844  -0.079  1.00 92.53           C  
+ATOM    116  C   LYS A  17     -32.643  -5.695  -1.448  1.00 92.53           C  
+ATOM    117  CB  LYS A  17     -34.758  -6.278  -0.243  1.00 92.53           C  
+ATOM    118  O   LYS A  17     -31.968  -6.612  -1.920  1.00 92.53           O  
+ATOM    119  CG  LYS A  17     -35.368  -6.883   1.013  1.00 92.53           C  
+ATOM    120  CD  LYS A  17     -36.787  -7.379   0.763  1.00 92.53           C  
+ATOM    121  CE  LYS A  17     -37.412  -7.949   2.029  1.00 92.53           C  
+ATOM    122  NZ  LYS A  17     -38.825  -8.379   1.803  1.00 92.53           N  
+ATOM    123  N   MET A  18     -32.909  -4.528  -2.066  1.00 91.16           N  
+ATOM    124  CA  MET A  18     -32.288  -4.259  -3.359  1.00 91.16           C  
+ATOM    125  C   MET A  18     -30.767  -4.236  -3.238  1.00 91.16           C  
+ATOM    126  CB  MET A  18     -32.786  -2.930  -3.929  1.00 91.16           C  
+ATOM    127  O   MET A  18     -30.065  -4.783  -4.089  1.00 91.16           O  
+ATOM    128  CG  MET A  18     -32.387  -2.696  -5.377  1.00 91.16           C  
+ATOM    129  SD  MET A  18     -33.053  -1.122  -6.044  1.00 91.16           S  
+ATOM    130  CE  MET A  18     -32.334  -1.151  -7.710  1.00 91.16           C  
+ATOM    131  N   ILE A  19     -30.281  -3.639  -2.195  1.00 90.71           N  
+ATOM    132  CA  ILE A  19     -28.846  -3.573  -1.939  1.00 90.71           C  
+ATOM    133  C   ILE A  19     -28.297  -4.981  -1.719  1.00 90.71           C  
+ATOM    134  CB  ILE A  19     -28.530  -2.678  -0.720  1.00 90.71           C  
+ATOM    135  O   ILE A  19     -27.240  -5.331  -2.250  1.00 90.71           O  
+ATOM    136  CG1 ILE A  19     -28.861  -1.214  -1.033  1.00 90.71           C  
+ATOM    137  CG2 ILE A  19     -27.064  -2.831  -0.304  1.00 90.71           C  
+ATOM    138  CD1 ILE A  19     -28.728  -0.280   0.162  1.00 90.71           C  
+ATOM    139  N   ASP A  20     -28.999  -5.807  -1.010  1.00 91.49           N  
+ATOM    140  CA  ASP A  20     -28.586  -7.187  -0.772  1.00 91.49           C  
+ATOM    141  C   ASP A  20     -28.478  -7.962  -2.083  1.00 91.49           C  
+ATOM    142  CB  ASP A  20     -29.567  -7.885   0.173  1.00 91.49           C  
+ATOM    143  O   ASP A  20     -27.544  -8.744  -2.272  1.00 91.49           O  
+ATOM    144  CG  ASP A  20     -29.340  -7.531   1.632  1.00 91.49           C  
+ATOM    145  OD1 ASP A  20     -28.217  -7.116   1.991  1.00 91.49           O  
+ATOM    146  OD2 ASP A  20     -30.291  -7.671   2.430  1.00 91.49           O  
+ATOM    147  N   ARG A  21     -29.468  -7.751  -2.916  1.00 91.29           N  
+ATOM    148  CA  ARG A  21     -29.445  -8.411  -4.218  1.00 91.29           C  
+ATOM    149  C   ARG A  21     -28.217  -7.994  -5.021  1.00 91.29           C  
+ATOM    150  CB  ARG A  21     -30.718  -8.094  -5.005  1.00 91.29           C  
+ATOM    151  O   ARG A  21     -27.527  -8.840  -5.593  1.00 91.29           O  
+ATOM    152  CG  ARG A  21     -30.864  -8.896  -6.288  1.00 91.29           C  
+ATOM    153  CD  ARG A  21     -32.154  -8.556  -7.022  1.00 91.29           C  
+ATOM    154  NE  ARG A  21     -32.276  -9.301  -8.271  1.00 91.29           N  
+ATOM    155  NH1 ARG A  21     -34.324  -8.401  -8.849  1.00 91.29           N  
+ATOM    156  NH2 ARG A  21     -33.312  -9.934 -10.221  1.00 91.29           N  
+ATOM    157  CZ  ARG A  21     -33.304  -9.210  -9.111  1.00 91.29           C  
+ATOM    158  N   ASN A  22     -27.935  -6.691  -4.967  1.00 89.53           N  
+ATOM    159  CA  ASN A  22     -26.770  -6.182  -5.682  1.00 89.53           C  
+ATOM    160  C   ASN A  22     -25.472  -6.747  -5.113  1.00 89.53           C  
+ATOM    161  CB  ASN A  22     -26.744  -4.653  -5.646  1.00 89.53           C  
+ATOM    162  O   ASN A  22     -24.562  -7.103  -5.864  1.00 89.53           O  
+ATOM    163  CG  ASN A  22     -27.810  -4.030  -6.526  1.00 89.53           C  
+ATOM    164  ND2 ASN A  22     -28.105  -2.757  -6.290  1.00 89.53           N  
+ATOM    165  OD1 ASN A  22     -28.366  -4.688  -7.410  1.00 89.53           O  
+ATOM    166  N   LEU A  23     -25.423  -6.835  -3.832  1.00 89.25           N  
+ATOM    167  CA  LEU A  23     -24.243  -7.373  -3.165  1.00 89.25           C  
+ATOM    168  C   LEU A  23     -24.047  -8.845  -3.509  1.00 89.25           C  
+ATOM    169  CB  LEU A  23     -24.360  -7.202  -1.648  1.00 89.25           C  
+ATOM    170  O   LEU A  23     -22.916  -9.298  -3.699  1.00 89.25           O  
+ATOM    171  CG  LEU A  23     -24.271  -5.770  -1.118  1.00 89.25           C  
+ATOM    172  CD1 LEU A  23     -24.480  -5.751   0.393  1.00 89.25           C  
+ATOM    173  CD2 LEU A  23     -22.930  -5.145  -1.486  1.00 89.25           C  
+ATOM    174  N   ARG A  24     -25.120  -9.586  -3.551  1.00 87.86           N  
+ATOM    175  CA  ARG A  24     -25.052 -10.997  -3.919  1.00 87.86           C  
+ATOM    176  C   ARG A  24     -24.541 -11.167  -5.345  1.00 87.86           C  
+ATOM    177  CB  ARG A  24     -26.425 -11.657  -3.772  1.00 87.86           C  
+ATOM    178  O   ARG A  24     -23.688 -12.018  -5.607  1.00 87.86           O  
+ATOM    179  CG  ARG A  24     -26.404 -13.167  -3.948  1.00 87.86           C  
+ATOM    180  CD  ARG A  24     -27.784 -13.778  -3.750  1.00 87.86           C  
+ATOM    181  NE  ARG A  24     -27.776 -15.218  -3.987  1.00 87.86           N  
+ATOM    182  NH1 ARG A  24     -30.013 -15.521  -3.496  1.00 87.86           N  
+ATOM    183  NH2 ARG A  24     -28.715 -17.311  -4.102  1.00 87.86           N  
+ATOM    184  CZ  ARG A  24     -28.835 -16.014  -3.861  1.00 87.86           C  
+ATOM    185  N   GLU A  25     -25.077 -10.367  -6.226  1.00 87.73           N  
+ATOM    186  CA  GLU A  25     -24.622 -10.396  -7.613  1.00 87.73           C  
+ATOM    187  C   GLU A  25     -23.138 -10.053  -7.714  1.00 87.73           C  
+ATOM    188  CB  GLU A  25     -25.445  -9.431  -8.470  1.00 87.73           C  
+ATOM    189  O   GLU A  25     -22.394 -10.702  -8.452  1.00 87.73           O  
+ATOM    190  CG  GLU A  25     -26.875  -9.891  -8.714  1.00 87.73           C  
+ATOM    191  CD  GLU A  25     -27.703  -8.885  -9.497  1.00 87.73           C  
+ATOM    192  OE1 GLU A  25     -28.901  -9.149  -9.747  1.00 87.73           O  
+ATOM    193  OE2 GLU A  25     -27.149  -7.825  -9.865  1.00 87.73           O  
+ATOM    194  N   ASP A  26     -22.754  -9.063  -6.936  1.00 84.84           N  
+ATOM    195  CA  ASP A  26     -21.346  -8.681  -6.898  1.00 84.84           C  
+ATOM    196  C   ASP A  26     -20.482  -9.819  -6.361  1.00 84.84           C  
+ATOM    197  CB  ASP A  26     -21.154  -7.426  -6.043  1.00 84.84           C  
+ATOM    198  O   ASP A  26     -19.376 -10.052  -6.855  1.00 84.84           O  
+ATOM    199  CG  ASP A  26     -21.666  -6.165  -6.717  1.00 84.84           C  
+ATOM    200  OD1 ASP A  26     -21.993  -6.207  -7.923  1.00 84.84           O  
+ATOM    201  OD2 ASP A  26     -21.741  -5.119  -6.036  1.00 84.84           O  
+ATOM    202  N   GLY A  27     -21.029 -10.445  -5.349  1.00 81.41           N  
+ATOM    203  CA  GLY A  27     -20.326 -11.589  -4.792  1.00 81.41           C  
+ATOM    204  C   GLY A  27     -20.127 -12.712  -5.793  1.00 81.41           C  
+ATOM    205  O   GLY A  27     -19.047 -13.303  -5.865  1.00 81.41           O  
+ATOM    206  N   GLU A  28     -21.144 -13.003  -6.564  1.00 80.59           N  
+ATOM    207  CA  GLU A  28     -21.063 -14.039  -7.590  1.00 80.59           C  
+ATOM    208  C   GLU A  28     -20.063 -13.660  -8.678  1.00 80.59           C  
+ATOM    209  CB  GLU A  28     -22.440 -14.295  -8.206  1.00 80.59           C  
+ATOM    210  O   GLU A  28     -19.290 -14.503  -9.139  1.00 80.59           O  
+ATOM    211  CG  GLU A  28     -23.416 -14.988  -7.266  1.00 80.59           C  
+ATOM    212  CD  GLU A  28     -24.807 -15.149  -7.858  1.00 80.59           C  
+ATOM    213  OE1 GLU A  28     -25.692 -15.720  -7.181  1.00 80.59           O  
+ATOM    214  OE2 GLU A  28     -25.014 -14.700  -9.007  1.00 80.59           O  
+ATOM    215  N   LYS A  29     -20.104 -12.408  -9.009  1.00 79.47           N  
+ATOM    216  CA  LYS A  29     -19.149 -11.910  -9.994  1.00 79.47           C  
+ATOM    217  C   LYS A  29     -17.720 -11.998  -9.468  1.00 79.47           C  
+ATOM    218  CB  LYS A  29     -19.477 -10.466 -10.378  1.00 79.47           C  
+ATOM    219  O   LYS A  29     -16.809 -12.402 -10.194  1.00 79.47           O  
+ATOM    220  CG  LYS A  29     -20.695 -10.327 -11.279  1.00 79.47           C  
+ATOM    221  CD  LYS A  29     -20.930  -8.876 -11.682  1.00 79.47           C  
+ATOM    222  CE  LYS A  29     -22.203  -8.722 -12.503  1.00 79.47           C  
+ATOM    223  NZ  LYS A  29     -22.457  -7.296 -12.869  1.00 79.47           N  
+ATOM    224  N   ALA A  30     -17.573 -11.664  -8.239  1.00 75.36           N  
+ATOM    225  CA  ALA A  30     -16.259 -11.706  -7.602  1.00 75.36           C  
+ATOM    226  C   ALA A  30     -15.726 -13.134  -7.538  1.00 75.36           C  
+ATOM    227  CB  ALA A  30     -16.327 -11.102  -6.202  1.00 75.36           C  
+ATOM    228  O   ALA A  30     -14.522 -13.361  -7.676  1.00 75.36           O  
+ATOM    229  N   ALA A  31     -16.591 -14.033  -7.332  1.00 73.90           N  
+ATOM    230  CA  ALA A  31     -16.217 -15.441  -7.224  1.00 73.90           C  
+ATOM    231  C   ALA A  31     -15.678 -15.969  -8.550  1.00 73.90           C  
+ATOM    232  CB  ALA A  31     -17.411 -16.276  -6.768  1.00 73.90           C  
+ATOM    233  O   ALA A  31     -14.890 -16.917  -8.574  1.00 73.90           O  
+ATOM    234  N   ARG A  32     -16.066 -15.293  -9.623  1.00 77.93           N  
+ATOM    235  CA  ARG A  32     -15.625 -15.740 -10.940  1.00 77.93           C  
+ATOM    236  C   ARG A  32     -14.376 -14.986 -11.384  1.00 77.93           C  
+ATOM    237  CB  ARG A  32     -16.740 -15.559 -11.972  1.00 77.93           C  
+ATOM    238  O   ARG A  32     -13.793 -15.298 -12.424  1.00 77.93           O  
+ATOM    239  CG  ARG A  32     -17.914 -16.507 -11.782  1.00 77.93           C  
+ATOM    240  CD  ARG A  32     -18.989 -16.291 -12.839  1.00 77.93           C  
+ATOM    241  NE  ARG A  32     -20.159 -17.129 -12.595  1.00 77.93           N  
+ATOM    242  NH1 ARG A  32     -21.391 -16.279 -14.355  1.00 77.93           N  
+ATOM    243  NH2 ARG A  32     -22.279 -17.910 -13.011  1.00 77.93           N  
+ATOM    244  CZ  ARG A  32     -21.274 -17.104 -13.321  1.00 77.93           C  
+ATOM    245  N   GLU A  33     -13.955 -14.092 -10.500  1.00 84.60           N  
+ATOM    246  CA  GLU A  33     -12.829 -13.233 -10.855  1.00 84.60           C  
+ATOM    247  C   GLU A  33     -11.499 -13.896 -10.508  1.00 84.60           C  
+ATOM    248  CB  GLU A  33     -12.941 -11.879 -10.150  1.00 84.60           C  
+ATOM    249  O   GLU A  33     -11.393 -14.597  -9.500  1.00 84.60           O  
+ATOM    250  CG  GLU A  33     -14.020 -10.974 -10.726  1.00 84.60           C  
+ATOM    251  CD  GLU A  33     -14.115  -9.630 -10.021  1.00 84.60           C  
+ATOM    252  OE1 GLU A  33     -14.911  -8.769 -10.460  1.00 84.60           O  
+ATOM    253  OE2 GLU A  33     -13.387  -9.436  -9.023  1.00 84.60           O  
+ATOM    254  N   VAL A  34     -10.520 -13.753 -11.377  1.00 89.18           N  
+ATOM    255  CA  VAL A  34      -9.156 -14.224 -11.159  1.00 89.18           C  
+ATOM    256  C   VAL A  34      -8.279 -13.068 -10.684  1.00 89.18           C  
+ATOM    257  CB  VAL A  34      -8.561 -14.854 -12.438  1.00 89.18           C  
+ATOM    258  O   VAL A  34      -8.092 -12.086 -11.406  1.00 89.18           O  
+ATOM    259  CG1 VAL A  34      -7.121 -15.304 -12.200  1.00 89.18           C  
+ATOM    260  CG2 VAL A  34      -9.421 -16.027 -12.905  1.00 89.18           C  
+ATOM    261  N   LYS A  35      -7.799 -13.256  -9.440  1.00 90.87           N  
+ATOM    262  CA  LYS A  35      -6.971 -12.214  -8.840  1.00 90.87           C  
+ATOM    263  C   LYS A  35      -5.487 -12.512  -9.033  1.00 90.87           C  
+ATOM    264  CB  LYS A  35      -7.286 -12.067  -7.351  1.00 90.87           C  
+ATOM    265  O   LYS A  35      -4.984 -13.528  -8.548  1.00 90.87           O  
+ATOM    266  CG  LYS A  35      -8.677 -11.520  -7.063  1.00 90.87           C  
+ATOM    267  CD  LYS A  35      -8.890 -11.289  -5.573  1.00 90.87           C  
+ATOM    268  CE  LYS A  35     -10.303 -10.807  -5.277  1.00 90.87           C  
+ATOM    269  NZ  LYS A  35     -10.520 -10.588  -3.816  1.00 90.87           N  
+ATOM    270  N   LEU A  36      -4.807 -11.602  -9.805  1.00 94.02           N  
+ATOM    271  CA  LEU A  36      -3.375 -11.730 -10.052  1.00 94.02           C  
+ATOM    272  C   LEU A  36      -2.591 -10.686  -9.263  1.00 94.02           C  
+ATOM    273  CB  LEU A  36      -3.073 -11.590 -11.546  1.00 94.02           C  
+ATOM    274  O   LEU A  36      -2.905  -9.495  -9.321  1.00 94.02           O  
+ATOM    275  CG  LEU A  36      -3.737 -12.612 -12.471  1.00 94.02           C  
+ATOM    276  CD1 LEU A  36      -3.392 -12.314 -13.926  1.00 94.02           C  
+ATOM    277  CD2 LEU A  36      -3.314 -14.028 -12.095  1.00 94.02           C  
+ATOM    278  N   LEU A  37      -1.660 -11.172  -8.530  1.00 95.65           N  
+ATOM    279  CA  LEU A  37      -0.805 -10.289  -7.745  1.00 95.65           C  
+ATOM    280  C   LEU A  37       0.613 -10.265  -8.306  1.00 95.65           C  
+ATOM    281  CB  LEU A  37      -0.778 -10.731  -6.279  1.00 95.65           C  
+ATOM    282  O   LEU A  37       1.262 -11.308  -8.409  1.00 95.65           O  
+ATOM    283  CG  LEU A  37       0.091  -9.900  -5.335  1.00 95.65           C  
+ATOM    284  CD1 LEU A  37      -0.380  -8.449  -5.320  1.00 95.65           C  
+ATOM    285  CD2 LEU A  37       0.069 -10.489  -3.929  1.00 95.65           C  
+ATOM    286  N   LEU A  38       1.068  -8.995  -8.700  1.00 96.71           N  
+ATOM    287  CA  LEU A  38       2.423  -8.828  -9.212  1.00 96.71           C  
+ATOM    288  C   LEU A  38       3.379  -8.416  -8.097  1.00 96.71           C  
+ATOM    289  CB  LEU A  38       2.448  -7.785 -10.333  1.00 96.71           C  
+ATOM    290  O   LEU A  38       3.168  -7.394  -7.440  1.00 96.71           O  
+ATOM    291  CG  LEU A  38       1.642  -8.119 -11.589  1.00 96.71           C  
+ATOM    292  CD1 LEU A  38       1.582  -6.911 -12.517  1.00 96.71           C  
+ATOM    293  CD2 LEU A  38       2.244  -9.322 -12.306  1.00 96.71           C  
+ATOM    294  N   LEU A  39       4.387  -9.263  -7.886  1.00 96.83           N  
+ATOM    295  CA  LEU A  39       5.380  -8.988  -6.853  1.00 96.83           C  
+ATOM    296  C   LEU A  39       6.790  -9.014  -7.433  1.00 96.83           C  
+ATOM    297  CB  LEU A  39       5.265 -10.005  -5.715  1.00 96.83           C  
+ATOM    298  O   LEU A  39       7.023  -9.616  -8.484  1.00 96.83           O  
+ATOM    299  CG  LEU A  39       3.953  -9.997  -4.928  1.00 96.83           C  
+ATOM    300  CD1 LEU A  39       3.900 -11.186  -3.974  1.00 96.83           C  
+ATOM    301  CD2 LEU A  39       3.795  -8.686  -4.166  1.00 96.83           C  
+ATOM    302  N   GLY A  40       7.710  -8.323  -6.882  1.00 95.70           N  
+ATOM    303  CA  GLY A  40       9.114  -8.277  -7.258  1.00 95.70           C  
+ATOM    304  C   GLY A  40       9.825  -7.033  -6.758  1.00 95.70           C  
+ATOM    305  O   GLY A  40       9.191  -6.123  -6.221  1.00 95.70           O  
+ATOM    306  N   ALA A  41      11.122  -7.085  -6.844  1.00 93.47           N  
+ATOM    307  CA  ALA A  41      11.917  -5.923  -6.457  1.00 93.47           C  
+ATOM    308  C   ALA A  41      11.626  -4.732  -7.367  1.00 93.47           C  
+ATOM    309  CB  ALA A  41      13.405  -6.261  -6.488  1.00 93.47           C  
+ATOM    310  O   ALA A  41      10.988  -4.882  -8.411  1.00 93.47           O  
+ATOM    311  N   GLY A  42      12.013  -3.579  -6.889  1.00 90.32           N  
+ATOM    312  CA  GLY A  42      11.856  -2.400  -7.726  1.00 90.32           C  
+ATOM    313  C   GLY A  42      12.527  -2.535  -9.080  1.00 90.32           C  
+ATOM    314  O   GLY A  42      13.585  -3.159  -9.194  1.00 90.32           O  
+ATOM    315  N   GLU A  43      11.868  -2.125 -10.113  1.00 91.56           N  
+ATOM    316  CA  GLU A  43      12.355  -2.041 -11.486  1.00 91.56           C  
+ATOM    317  C   GLU A  43      12.457  -3.425 -12.121  1.00 91.56           C  
+ATOM    318  CB  GLU A  43      13.714  -1.339 -11.533  1.00 91.56           C  
+ATOM    319  O   GLU A  43      13.331  -3.668 -12.956  1.00 91.56           O  
+ATOM    320  CG  GLU A  43      13.671   0.116 -11.088  1.00 91.56           C  
+ATOM    321  CD  GLU A  43      15.014   0.819 -11.203  1.00 91.56           C  
+ATOM    322  OE1 GLU A  43      15.131   1.982 -10.755  1.00 91.56           O  
+ATOM    323  OE2 GLU A  43      15.957   0.202 -11.746  1.00 91.56           O  
+ATOM    324  N   SER A  44      11.769  -4.355 -11.647  1.00 95.45           N  
+ATOM    325  CA  SER A  44      11.810  -5.719 -12.164  1.00 95.45           C  
+ATOM    326  C   SER A  44      10.938  -5.867 -13.406  1.00 95.45           C  
+ATOM    327  CB  SER A  44      11.358  -6.712 -11.092  1.00 95.45           C  
+ATOM    328  O   SER A  44      11.079  -6.832 -14.159  1.00 95.45           O  
+ATOM    329  OG  SER A  44      10.055  -6.398 -10.633  1.00 95.45           O  
+ATOM    330  N   GLY A  45       9.982  -4.896 -13.639  1.00 94.86           N  
+ATOM    331  CA  GLY A  45       9.154  -4.903 -14.835  1.00 94.86           C  
+ATOM    332  C   GLY A  45       7.692  -5.183 -14.547  1.00 94.86           C  
+ATOM    333  O   GLY A  45       6.950  -5.612 -15.433  1.00 94.86           O  
+ATOM    334  N   LYS A  46       7.240  -4.964 -13.339  1.00 95.43           N  
+ATOM    335  CA  LYS A  46       5.862  -5.228 -12.936  1.00 95.43           C  
+ATOM    336  C   LYS A  46       4.893  -4.276 -13.632  1.00 95.43           C  
+ATOM    337  CB  LYS A  46       5.714  -5.109 -11.418  1.00 95.43           C  
+ATOM    338  O   LYS A  46       3.931  -4.715 -14.266  1.00 95.43           O  
+ATOM    339  CG  LYS A  46       6.590  -6.075 -10.634  1.00 95.43           C  
+ATOM    340  CD  LYS A  46       6.362  -5.944  -9.133  1.00 95.43           C  
+ATOM    341  CE  LYS A  46       6.824  -4.590  -8.613  1.00 95.43           C  
+ATOM    342  NZ  LYS A  46       8.295  -4.400  -8.792  1.00 95.43           N  
+ATOM    343  N   SER A  47       5.165  -3.019 -13.492  1.00 94.76           N  
+ATOM    344  CA  SER A  47       4.283  -2.001 -14.053  1.00 94.76           C  
+ATOM    345  C   SER A  47       4.220  -2.100 -15.573  1.00 94.76           C  
+ATOM    346  CB  SER A  47       4.750  -0.603 -13.644  1.00 94.76           C  
+ATOM    347  O   SER A  47       3.179  -1.829 -16.176  1.00 94.76           O  
+ATOM    348  OG  SER A  47       4.668  -0.437 -12.239  1.00 94.76           O  
+ATOM    349  N   THR A  48       5.325  -2.573 -16.093  1.00 95.16           N  
+ATOM    350  CA  THR A  48       5.367  -2.748 -17.541  1.00 95.16           C  
+ATOM    351  C   THR A  48       4.439  -3.878 -17.976  1.00 95.16           C  
+ATOM    352  CB  THR A  48       6.799  -3.040 -18.027  1.00 95.16           C  
+ATOM    353  O   THR A  48       3.744  -3.763 -18.988  1.00 95.16           O  
+ATOM    354  CG2 THR A  48       6.864  -3.085 -19.550  1.00 95.16           C  
+ATOM    355  OG1 THR A  48       7.677  -2.012 -17.552  1.00 95.16           O  
+ATOM    356  N   ILE A  49       4.384  -4.906 -17.230  1.00 95.39           N  
+ATOM    357  CA  ILE A  49       3.493  -6.028 -17.505  1.00 95.39           C  
+ATOM    358  C   ILE A  49       2.040  -5.561 -17.444  1.00 95.39           C  
+ATOM    359  CB  ILE A  49       3.724  -7.190 -16.512  1.00 95.39           C  
+ATOM    360  O   ILE A  49       1.221  -5.951 -18.279  1.00 95.39           O  
+ATOM    361  CG1 ILE A  49       5.108  -7.812 -16.732  1.00 95.39           C  
+ATOM    362  CG2 ILE A  49       2.622  -8.244 -16.649  1.00 95.39           C  
+ATOM    363  CD1 ILE A  49       5.295  -8.437 -18.107  1.00 95.39           C  
+ATOM    364  N   VAL A  50       1.753  -4.705 -16.521  1.00 94.13           N  
+ATOM    365  CA  VAL A  50       0.402  -4.176 -16.372  1.00 94.13           C  
+ATOM    366  C   VAL A  50       0.039  -3.334 -17.594  1.00 94.13           C  
+ATOM    367  CB  VAL A  50       0.260  -3.335 -15.084  1.00 94.13           C  
+ATOM    368  O   VAL A  50      -1.061  -3.458 -18.137  1.00 94.13           O  
+ATOM    369  CG1 VAL A  50      -1.085  -2.611 -15.057  1.00 94.13           C  
+ATOM    370  CG2 VAL A  50       0.419  -4.220 -13.849  1.00 94.13           C  
+ATOM    371  N   LYS A  51       0.927  -2.515 -18.018  1.00 94.14           N  
+ATOM    372  CA  LYS A  51       0.695  -1.704 -19.210  1.00 94.14           C  
+ATOM    373  C   LYS A  51       0.427  -2.584 -20.428  1.00 94.14           C  
+ATOM    374  CB  LYS A  51       1.890  -0.788 -19.477  1.00 94.14           C  
+ATOM    375  O   LYS A  51      -0.415  -2.254 -21.266  1.00 94.14           O  
+ATOM    376  CG  LYS A  51       2.031   0.352 -18.479  1.00 94.14           C  
+ATOM    377  CD  LYS A  51       3.282   1.178 -18.747  1.00 94.14           C  
+ATOM    378  CE  LYS A  51       3.532   2.192 -17.639  1.00 94.14           C  
+ATOM    379  NZ  LYS A  51       4.840   2.892 -17.813  1.00 94.14           N  
+ATOM    380  N   GLN A  52       1.114  -3.707 -20.476  1.00 94.55           N  
+ATOM    381  CA  GLN A  52       0.942  -4.633 -21.590  1.00 94.55           C  
+ATOM    382  C   GLN A  52      -0.469  -5.214 -21.611  1.00 94.55           C  
+ATOM    383  CB  GLN A  52       1.973  -5.761 -21.516  1.00 94.55           C  
+ATOM    384  O   GLN A  52      -1.034  -5.446 -22.682  1.00 94.55           O  
+ATOM    385  CG  GLN A  52       3.380  -5.335 -21.913  1.00 94.55           C  
+ATOM    386  CD  GLN A  52       3.522  -5.097 -23.404  1.00 94.55           C  
+ATOM    387  NE2 GLN A  52       4.760  -5.083 -23.887  1.00 94.55           N  
+ATOM    388  OE1 GLN A  52       2.528  -4.928 -24.117  1.00 94.55           O  
+ATOM    389  N   MET A  53      -1.006  -5.344 -20.440  1.00 92.67           N  
+ATOM    390  CA  MET A  53      -2.356  -5.895 -20.368  1.00 92.67           C  
+ATOM    391  C   MET A  53      -3.365  -4.948 -21.007  1.00 92.67           C  
+ATOM    392  CB  MET A  53      -2.747  -6.174 -18.915  1.00 92.67           C  
+ATOM    393  O   MET A  53      -4.322  -5.391 -21.644  1.00 92.67           O  
+ATOM    394  CG  MET A  53      -1.955  -7.300 -18.272  1.00 92.67           C  
+ATOM    395  SD  MET A  53      -2.096  -8.877 -19.200  1.00 92.67           S  
+ATOM    396  CE  MET A  53      -0.383  -9.071 -19.765  1.00 92.67           C  
+ATOM    397  N   LYS A  54      -3.085  -3.730 -20.803  1.00 90.99           N  
+ATOM    398  CA  LYS A  54      -3.944  -2.731 -21.433  1.00 90.99           C  
+ATOM    399  C   LYS A  54      -3.804  -2.766 -22.952  1.00 90.99           C  
+ATOM    400  CB  LYS A  54      -3.615  -1.333 -20.908  1.00 90.99           C  
+ATOM    401  O   LYS A  54      -4.802  -2.704 -23.674  1.00 90.99           O  
+ATOM    402  CG  LYS A  54      -4.565  -0.249 -21.397  1.00 90.99           C  
+ATOM    403  CD  LYS A  54      -4.342   1.064 -20.658  1.00 90.99           C  
+ATOM    404  CE  LYS A  54      -5.279   2.155 -21.160  1.00 90.99           C  
+ATOM    405  NZ  LYS A  54      -5.203   3.383 -20.314  1.00 90.99           N  
+ATOM    406  N   ILE A  55      -2.614  -2.960 -23.411  1.00 92.61           N  
+ATOM    407  CA  ILE A  55      -2.328  -2.976 -24.842  1.00 92.61           C  
+ATOM    408  C   ILE A  55      -2.893  -4.249 -25.467  1.00 92.61           C  
+ATOM    409  CB  ILE A  55      -0.810  -2.872 -25.115  1.00 92.61           C  
+ATOM    410  O   ILE A  55      -3.535  -4.199 -26.519  1.00 92.61           O  
+ATOM    411  CG1 ILE A  55      -0.280  -1.503 -24.674  1.00 92.61           C  
+ATOM    412  CG2 ILE A  55      -0.510  -3.124 -26.596  1.00 92.61           C  
+ATOM    413  CD1 ILE A  55       1.235  -1.375 -24.742  1.00 92.61           C  
+ATOM    414  N   ILE A  56      -2.767  -5.334 -24.834  1.00 91.38           N  
+ATOM    415  CA  ILE A  56      -3.088  -6.638 -25.403  1.00 91.38           C  
+ATOM    416  C   ILE A  56      -4.583  -6.912 -25.255  1.00 91.38           C  
+ATOM    417  CB  ILE A  56      -2.268  -7.764 -24.735  1.00 91.38           C  
+ATOM    418  O   ILE A  56      -5.223  -7.417 -26.180  1.00 91.38           O  
+ATOM    419  CG1 ILE A  56      -0.779  -7.608 -25.065  1.00 91.38           C  
+ATOM    420  CG2 ILE A  56      -2.784  -9.139 -25.169  1.00 91.38           C  
+ATOM    421  CD1 ILE A  56       0.136  -8.498 -24.235  1.00 91.38           C  
+ATOM    422  N   HIS A  57      -5.158  -6.541 -24.185  1.00 88.71           N  
+ATOM    423  CA  HIS A  57      -6.501  -7.024 -23.885  1.00 88.71           C  
+ATOM    424  C   HIS A  57      -7.516  -5.886 -23.916  1.00 88.71           C  
+ATOM    425  CB  HIS A  57      -6.530  -7.716 -22.520  1.00 88.71           C  
+ATOM    426  O   HIS A  57      -8.724  -6.124 -23.859  1.00 88.71           O  
+ATOM    427  CG  HIS A  57      -5.665  -8.934 -22.447  1.00 88.71           C  
+ATOM    428  CD2 HIS A  57      -4.554  -9.193 -21.718  1.00 88.71           C  
+ATOM    429  ND1 HIS A  57      -5.911 -10.067 -23.192  1.00 88.71           N  
+ATOM    430  CE1 HIS A  57      -4.986 -10.973 -22.923  1.00 88.71           C  
+ATOM    431  NE2 HIS A  57      -4.151 -10.468 -22.031  1.00 88.71           N  
+ATOM    432  N   GLU A  58      -7.071  -4.707 -24.024  1.00 88.35           N  
+ATOM    433  CA  GLU A  58      -7.960  -3.560 -24.182  1.00 88.35           C  
+ATOM    434  C   GLU A  58      -7.676  -2.816 -25.483  1.00 88.35           C  
+ATOM    435  CB  GLU A  58      -7.826  -2.607 -22.991  1.00 88.35           C  
+ATOM    436  O   GLU A  58      -7.334  -3.432 -26.495  1.00 88.35           O  
+ATOM    437  CG  GLU A  58      -8.268  -3.212 -21.666  1.00 88.35           C  
+ATOM    438  CD  GLU A  58      -8.212  -2.228 -20.509  1.00 88.35           C  
+ATOM    439  OE1 GLU A  58      -8.500  -2.628 -19.358  1.00 88.35           O  
+ATOM    440  OE2 GLU A  58      -7.877  -1.048 -20.755  1.00 88.35           O  
+ATOM    441  N   ALA A  59      -8.001  -1.491 -25.559  1.00 88.68           N  
+ATOM    442  CA  ALA A  59      -7.853  -0.737 -26.802  1.00 88.68           C  
+ATOM    443  C   ALA A  59      -6.489  -0.056 -26.870  1.00 88.68           C  
+ATOM    444  CB  ALA A  59      -8.968   0.297 -26.933  1.00 88.68           C  
+ATOM    445  O   ALA A  59      -6.216   0.709 -27.799  1.00 88.68           O  
+ATOM    446  N   GLY A  60      -5.640  -0.490 -25.909  1.00 90.58           N  
+ATOM    447  CA  GLY A  60      -4.362   0.199 -25.843  1.00 90.58           C  
+ATOM    448  C   GLY A  60      -4.485   1.642 -25.391  1.00 90.58           C  
+ATOM    449  O   GLY A  60      -5.488   2.025 -24.786  1.00 90.58           O  
+ATOM    450  N   TYR A  61      -3.395   2.387 -25.569  1.00 92.59           N  
+ATOM    451  CA  TYR A  61      -3.389   3.786 -25.159  1.00 92.59           C  
+ATOM    452  C   TYR A  61      -3.843   4.690 -26.299  1.00 92.59           C  
+ATOM    453  CB  TYR A  61      -1.993   4.203 -24.686  1.00 92.59           C  
+ATOM    454  O   TYR A  61      -3.303   4.622 -27.406  1.00 92.59           O  
+ATOM    455  CG  TYR A  61      -1.539   3.491 -23.435  1.00 92.59           C  
+ATOM    456  CD1 TYR A  61      -1.816   4.014 -22.174  1.00 92.59           C  
+ATOM    457  CD2 TYR A  61      -0.831   2.297 -23.511  1.00 92.59           C  
+ATOM    458  CE1 TYR A  61      -1.397   3.363 -21.018  1.00 92.59           C  
+ATOM    459  CE2 TYR A  61      -0.407   1.637 -22.362  1.00 92.59           C  
+ATOM    460  OH  TYR A  61      -0.278   1.528 -19.981  1.00 92.59           O  
+ATOM    461  CZ  TYR A  61      -0.695   2.177 -21.122  1.00 92.59           C  
+ATOM    462  N   SER A  62      -4.918   5.507 -25.971  1.00 93.15           N  
+ATOM    463  CA  SER A  62      -5.386   6.477 -26.955  1.00 93.15           C  
+ATOM    464  C   SER A  62      -4.347   7.567 -27.194  1.00 93.15           C  
+ATOM    465  CB  SER A  62      -6.704   7.108 -26.501  1.00 93.15           C  
+ATOM    466  O   SER A  62      -3.387   7.695 -26.432  1.00 93.15           O  
+ATOM    467  OG  SER A  62      -6.500   7.938 -25.370  1.00 93.15           O  
+ATOM    468  N   GLU A  63      -4.517   8.286 -28.244  1.00 92.64           N  
+ATOM    469  CA  GLU A  63      -3.611   9.391 -28.540  1.00 92.64           C  
+ATOM    470  C   GLU A  63      -3.576  10.398 -27.394  1.00 92.64           C  
+ATOM    471  CB  GLU A  63      -4.020  10.088 -29.840  1.00 92.64           C  
+ATOM    472  O   GLU A  63      -2.512  10.914 -27.046  1.00 92.64           O  
+ATOM    473  CG  GLU A  63      -3.013  11.119 -30.329  1.00 92.64           C  
+ATOM    474  CD  GLU A  63      -3.369  11.711 -31.683  1.00 92.64           C  
+ATOM    475  OE1 GLU A  63      -2.767  12.736 -32.075  1.00 92.64           O  
+ATOM    476  OE2 GLU A  63      -4.259  11.146 -32.357  1.00 92.64           O  
+ATOM    477  N   GLU A  64      -4.713  10.690 -26.866  1.00 92.80           N  
+ATOM    478  CA  GLU A  64      -4.811  11.623 -25.747  1.00 92.80           C  
+ATOM    479  C   GLU A  64      -4.055  11.105 -24.528  1.00 92.80           C  
+ATOM    480  CB  GLU A  64      -6.277  11.879 -25.388  1.00 92.80           C  
+ATOM    481  O   GLU A  64      -3.358  11.865 -23.853  1.00 92.80           O  
+ATOM    482  CG  GLU A  64      -6.747  13.294 -25.694  1.00 92.80           C  
+ATOM    483  CD  GLU A  64      -6.657  13.650 -27.169  1.00 92.80           C  
+ATOM    484  OE1 GLU A  64      -6.842  14.838 -27.520  1.00 92.80           O  
+ATOM    485  OE2 GLU A  64      -6.400  12.734 -27.982  1.00 92.80           O  
+ATOM    486  N   GLU A  65      -4.216   9.800 -24.271  1.00 91.78           N  
+ATOM    487  CA  GLU A  65      -3.501   9.180 -23.158  1.00 91.78           C  
+ATOM    488  C   GLU A  65      -1.993   9.203 -23.389  1.00 91.78           C  
+ATOM    489  CB  GLU A  65      -3.979   7.741 -22.947  1.00 91.78           C  
+ATOM    490  O   GLU A  65      -1.221   9.441 -22.458  1.00 91.78           O  
+ATOM    491  CG  GLU A  65      -5.382   7.638 -22.365  1.00 91.78           C  
+ATOM    492  CD  GLU A  65      -5.892   6.209 -22.279  1.00 91.78           C  
+ATOM    493  OE1 GLU A  65      -6.432   5.820 -21.218  1.00 91.78           O  
+ATOM    494  OE2 GLU A  65      -5.750   5.471 -23.280  1.00 91.78           O  
+ATOM    495  N   CYS A  66      -1.591   8.940 -24.549  1.00 94.22           N  
+ATOM    496  CA  CYS A  66      -0.179   8.946 -24.913  1.00 94.22           C  
+ATOM    497  C   CYS A  66       0.429  10.329 -24.715  1.00 94.22           C  
+ATOM    498  CB  CYS A  66       0.003   8.503 -26.364  1.00 94.22           C  
+ATOM    499  O   CYS A  66       1.565  10.452 -24.253  1.00 94.22           O  
+ATOM    500  SG  CYS A  66      -0.286   6.739 -26.629  1.00 94.22           S  
+ATOM    501  N   LYS A  67      -0.354  11.349 -24.989  1.00 92.90           N  
+ATOM    502  CA  LYS A  67       0.109  12.725 -24.837  1.00 92.90           C  
+ATOM    503  C   LYS A  67       0.429  13.040 -23.379  1.00 92.90           C  
+ATOM    504  CB  LYS A  67      -0.937  13.706 -25.368  1.00 92.90           C  
+ATOM    505  O   LYS A  67       1.323  13.840 -23.093  1.00 92.90           O  
+ATOM    506  CG  LYS A  67      -0.942  13.847 -26.883  1.00 92.90           C  
+ATOM    507  CD  LYS A  67      -1.963  14.878 -27.346  1.00 92.90           C  
+ATOM    508  CE  LYS A  67      -2.008  14.979 -28.864  1.00 92.90           C  
+ATOM    509  NZ  LYS A  67      -3.074  15.918 -29.325  1.00 92.90           N  
+ATOM    510  N   GLN A  68      -0.270  12.373 -22.552  1.00 92.46           N  
+ATOM    511  CA  GLN A  68      -0.078  12.617 -21.126  1.00 92.46           C  
+ATOM    512  C   GLN A  68       1.273  12.087 -20.654  1.00 92.46           C  
+ATOM    513  CB  GLN A  68      -1.206  11.976 -20.315  1.00 92.46           C  
+ATOM    514  O   GLN A  68       1.791  12.524 -19.624  1.00 92.46           O  
+ATOM    515  CG  GLN A  68      -2.559  12.648 -20.505  1.00 92.46           C  
+ATOM    516  CD  GLN A  68      -3.677  11.936 -19.767  1.00 92.46           C  
+ATOM    517  NE2 GLN A  68      -4.887  12.478 -19.858  1.00 92.46           N  
+ATOM    518  OE1 GLN A  68      -3.455  10.907 -19.121  1.00 92.46           O  
+ATOM    519  N   TYR A  69       1.857  11.210 -21.458  1.00 94.59           N  
+ATOM    520  CA  TYR A  69       3.117  10.590 -21.066  1.00 94.59           C  
+ATOM    521  C   TYR A  69       4.304  11.370 -21.619  1.00 94.59           C  
+ATOM    522  CB  TYR A  69       3.177   9.138 -21.549  1.00 94.59           C  
+ATOM    523  O   TYR A  69       5.459  11.021 -21.362  1.00 94.59           O  
+ATOM    524  CG  TYR A  69       2.471   8.165 -20.636  1.00 94.59           C  
+ATOM    525  CD1 TYR A  69       3.152   7.532 -19.599  1.00 94.59           C  
+ATOM    526  CD2 TYR A  69       1.121   7.876 -20.809  1.00 94.59           C  
+ATOM    527  CE1 TYR A  69       2.507   6.633 -18.757  1.00 94.59           C  
+ATOM    528  CE2 TYR A  69       0.465   6.978 -19.973  1.00 94.59           C  
+ATOM    529  OH  TYR A  69       0.521   5.475 -18.120  1.00 94.59           O  
+ATOM    530  CZ  TYR A  69       1.165   6.364 -18.951  1.00 94.59           C  
+ATOM    531  N   LYS A  70       3.963  12.298 -22.325  1.00 93.69           N  
+ATOM    532  CA  LYS A  70       4.998  13.120 -22.945  1.00 93.69           C  
+ATOM    533  C   LYS A  70       5.940  13.702 -21.895  1.00 93.69           C  
+ATOM    534  CB  LYS A  70       4.369  14.246 -23.767  1.00 93.69           C  
+ATOM    535  O   LYS A  70       7.162  13.617 -22.034  1.00 93.69           O  
+ATOM    536  CG  LYS A  70       5.365  15.025 -24.614  1.00 93.69           C  
+ATOM    537  CD  LYS A  70       4.668  16.061 -25.485  1.00 93.69           C  
+ATOM    538  CE  LYS A  70       5.663  16.845 -26.330  1.00 93.69           C  
+ATOM    539  NZ  LYS A  70       4.981  17.833 -27.217  1.00 93.69           N  
+ATOM    540  N   ALA A  71       5.446  14.227 -20.918  1.00 92.62           N  
+ATOM    541  CA  ALA A  71       6.233  14.842 -19.852  1.00 92.62           C  
+ATOM    542  C   ALA A  71       7.128  13.814 -19.168  1.00 92.62           C  
+ATOM    543  CB  ALA A  71       5.315  15.508 -18.830  1.00 92.62           C  
+ATOM    544  O   ALA A  71       8.284  14.103 -18.848  1.00 92.62           O  
+ATOM    545  N   VAL A  72       6.622  12.680 -19.082  1.00 94.12           N  
+ATOM    546  CA  VAL A  72       7.354  11.615 -18.404  1.00 94.12           C  
+ATOM    547  C   VAL A  72       8.528  11.164 -19.270  1.00 94.12           C  
+ATOM    548  CB  VAL A  72       6.438  10.414 -18.080  1.00 94.12           C  
+ATOM    549  O   VAL A  72       9.637  10.965 -18.768  1.00 94.12           O  
+ATOM    550  CG1 VAL A  72       7.225   9.310 -17.375  1.00 94.12           C  
+ATOM    551  CG2 VAL A  72       5.255  10.861 -17.223  1.00 94.12           C  
+ATOM    552  N   VAL A  73       8.274  10.966 -20.480  1.00 95.48           N  
+ATOM    553  CA  VAL A  73       9.313  10.563 -21.422  1.00 95.48           C  
+ATOM    554  C   VAL A  73      10.454  11.578 -21.398  1.00 95.48           C  
+ATOM    555  CB  VAL A  73       8.755  10.423 -22.856  1.00 95.48           C  
+ATOM    556  O   VAL A  73      11.624  11.203 -21.297  1.00 95.48           O  
+ATOM    557  CG1 VAL A  73       9.889  10.231 -23.861  1.00 95.48           C  
+ATOM    558  CG2 VAL A  73       7.767   9.260 -22.932  1.00 95.48           C  
+ATOM    559  N   TYR A  74      10.089  12.782 -21.407  1.00 94.39           N  
+ATOM    560  CA  TYR A  74      11.090  13.843 -21.394  1.00 94.39           C  
+ATOM    561  C   TYR A  74      11.902  13.810 -20.104  1.00 94.39           C  
+ATOM    562  CB  TYR A  74      10.425  15.213 -21.558  1.00 94.39           C  
+ATOM    563  O   TYR A  74      13.131  13.900 -20.135  1.00 94.39           O  
+ATOM    564  CG  TYR A  74       9.940  15.488 -22.961  1.00 94.39           C  
+ATOM    565  CD1 TYR A  74      10.254  14.625 -24.009  1.00 94.39           C  
+ATOM    566  CD2 TYR A  74       9.169  16.611 -23.241  1.00 94.39           C  
+ATOM    567  CE1 TYR A  74       9.811  14.876 -25.303  1.00 94.39           C  
+ATOM    568  CE2 TYR A  74       8.721  16.871 -24.532  1.00 94.39           C  
+ATOM    569  OH  TYR A  74       8.605  16.252 -26.834  1.00 94.39           O  
+ATOM    570  CZ  TYR A  74       9.046  15.999 -25.555  1.00 94.39           C  
+ATOM    571  N   SER A  75      11.172  13.741 -19.113  1.00 93.33           N  
+ATOM    572  CA  SER A  75      11.825  13.698 -17.809  1.00 93.33           C  
+ATOM    573  C   SER A  75      12.788  12.519 -17.711  1.00 93.33           C  
+ATOM    574  CB  SER A  75      10.786  13.612 -16.690  1.00 93.33           C  
+ATOM    575  O   SER A  75      13.924  12.675 -17.259  1.00 93.33           O  
+ATOM    576  OG  SER A  75      11.416  13.496 -15.426  1.00 93.33           O  
+ATOM    577  N   ASN A  76      12.384  11.337 -18.091  1.00 94.58           N  
+ATOM    578  CA  ASN A  76      13.224  10.145 -18.053  1.00 94.58           C  
+ATOM    579  C   ASN A  76      14.477  10.314 -18.907  1.00 94.58           C  
+ATOM    580  CB  ASN A  76      12.433   8.916 -18.508  1.00 94.58           C  
+ATOM    581  O   ASN A  76      15.557   9.858 -18.529  1.00 94.58           O  
+ATOM    582  CG  ASN A  76      11.436   8.445 -17.468  1.00 94.58           C  
+ATOM    583  ND2 ASN A  76      11.488   9.042 -16.284  1.00 94.58           N  
+ATOM    584  OD1 ASN A  76      10.626   7.551 -17.728  1.00 94.58           O  
+ATOM    585  N   THR A  77      14.290  11.013 -20.034  1.00 95.44           N  
+ATOM    586  CA  THR A  77      15.402  11.235 -20.952  1.00 95.44           C  
+ATOM    587  C   THR A  77      16.436  12.170 -20.333  1.00 95.44           C  
+ATOM    588  CB  THR A  77      14.913  11.821 -22.290  1.00 95.44           C  
+ATOM    589  O   THR A  77      17.628  11.856 -20.306  1.00 95.44           O  
+ATOM    590  CG2 THR A  77      16.071  12.006 -23.265  1.00 95.44           C  
+ATOM    591  OG1 THR A  77      13.951  10.932 -22.871  1.00 95.44           O  
+ATOM    592  N   ILE A  78      15.969  13.247 -19.800  1.00 94.25           N  
+ATOM    593  CA  ILE A  78      16.832  14.273 -19.224  1.00 94.25           C  
+ATOM    594  C   ILE A  78      17.554  13.713 -18.001  1.00 94.25           C  
+ATOM    595  CB  ILE A  78      16.030  15.537 -18.842  1.00 94.25           C  
+ATOM    596  O   ILE A  78      18.771  13.863 -17.867  1.00 94.25           O  
+ATOM    597  CG1 ILE A  78      15.479  16.220 -20.099  1.00 94.25           C  
+ATOM    598  CG2 ILE A  78      16.898  16.503 -18.030  1.00 94.25           C  
+ATOM    599  CD1 ILE A  78      14.483  17.336 -19.811  1.00 94.25           C  
+ATOM    600  N   GLN A  79      16.846  13.029 -17.212  1.00 94.27           N  
+ATOM    601  CA  GLN A  79      17.423  12.474 -15.992  1.00 94.27           C  
+ATOM    602  C   GLN A  79      18.452  11.393 -16.313  1.00 94.27           C  
+ATOM    603  CB  GLN A  79      16.327  11.904 -15.090  1.00 94.27           C  
+ATOM    604  O   GLN A  79      19.439  11.234 -15.592  1.00 94.27           O  
+ATOM    605  CG  GLN A  79      15.418  12.964 -14.483  1.00 94.27           C  
+ATOM    606  CD  GLN A  79      16.177  13.984 -13.655  1.00 94.27           C  
+ATOM    607  NE2 GLN A  79      15.757  15.243 -13.734  1.00 94.27           N  
+ATOM    608  OE1 GLN A  79      17.132  13.645 -12.950  1.00 94.27           O  
+ATOM    609  N   SER A  80      18.215  10.668 -17.329  1.00 96.15           N  
+ATOM    610  CA  SER A  80      19.154   9.629 -17.740  1.00 96.15           C  
+ATOM    611  C   SER A  80      20.501  10.226 -18.136  1.00 96.15           C  
+ATOM    612  CB  SER A  80      18.583   8.820 -18.905  1.00 96.15           C  
+ATOM    613  O   SER A  80      21.550   9.746 -17.703  1.00 96.15           O  
+ATOM    614  OG  SER A  80      17.453   8.072 -18.491  1.00 96.15           O  
+ATOM    615  N   ILE A  81      20.448  11.294 -18.914  1.00 96.85           N  
+ATOM    616  CA  ILE A  81      21.692  11.908 -19.364  1.00 96.85           C  
+ATOM    617  C   ILE A  81      22.371  12.616 -18.193  1.00 96.85           C  
+ATOM    618  CB  ILE A  81      21.445  12.902 -20.521  1.00 96.85           C  
+ATOM    619  O   ILE A  81      23.599  12.597 -18.076  1.00 96.85           O  
+ATOM    620  CG1 ILE A  81      22.773  13.305 -21.172  1.00 96.85           C  
+ATOM    621  CG2 ILE A  81      20.685  14.134 -20.021  1.00 96.85           C  
+ATOM    622  CD1 ILE A  81      23.511  12.151 -21.837  1.00 96.85           C  
+ATOM    623  N   ILE A  82      21.667  13.209 -17.358  1.00 95.49           N  
+ATOM    624  CA  ILE A  82      22.214  13.850 -16.167  1.00 95.49           C  
+ATOM    625  C   ILE A  82      22.906  12.808 -15.291  1.00 95.49           C  
+ATOM    626  CB  ILE A  82      21.116  14.581 -15.364  1.00 95.49           C  
+ATOM    627  O   ILE A  82      24.003  13.046 -14.780  1.00 95.49           O  
+ATOM    628  CG1 ILE A  82      20.703  15.874 -16.077  1.00 95.49           C  
+ATOM    629  CG2 ILE A  82      21.592  14.871 -13.937  1.00 95.49           C  
+ATOM    630  CD1 ILE A  82      19.584  16.635 -15.380  1.00 95.49           C  
+ATOM    631  N   ALA A  83      22.246  11.704 -15.172  1.00 95.99           N  
+ATOM    632  CA  ALA A  83      22.830  10.627 -14.376  1.00 95.99           C  
+ATOM    633  C   ALA A  83      24.178  10.193 -14.946  1.00 95.99           C  
+ATOM    634  CB  ALA A  83      21.876   9.437 -14.309  1.00 95.99           C  
+ATOM    635  O   ALA A  83      25.129   9.959 -14.197  1.00 95.99           O  
+ATOM    636  N   ILE A  84      24.277  10.116 -16.189  1.00 97.41           N  
+ATOM    637  CA  ILE A  84      25.508   9.703 -16.855  1.00 97.41           C  
+ATOM    638  C   ILE A  84      26.596  10.747 -16.622  1.00 97.41           C  
+ATOM    639  CB  ILE A  84      25.287   9.487 -18.369  1.00 97.41           C  
+ATOM    640  O   ILE A  84      27.724  10.407 -16.256  1.00 97.41           O  
+ATOM    641  CG1 ILE A  84      24.317   8.324 -18.607  1.00 97.41           C  
+ATOM    642  CG2 ILE A  84      26.621   9.242 -19.080  1.00 97.41           C  
+ATOM    643  CD1 ILE A  84      23.877   8.172 -20.056  1.00 97.41           C  
+ATOM    644  N   ILE A  85      26.262  12.006 -16.780  1.00 96.88           N  
+ATOM    645  CA  ILE A  85      27.221  13.097 -16.646  1.00 96.88           C  
+ATOM    646  C   ILE A  85      27.691  13.196 -15.197  1.00 96.88           C  
+ATOM    647  CB  ILE A  85      26.616  14.442 -17.107  1.00 96.88           C  
+ATOM    648  O   ILE A  85      28.880  13.391 -14.935  1.00 96.88           O  
+ATOM    649  CG1 ILE A  85      26.217  14.369 -18.586  1.00 96.88           C  
+ATOM    650  CG2 ILE A  85      27.600  15.589 -16.861  1.00 96.88           C  
+ATOM    651  CD1 ILE A  85      27.361  13.995 -19.518  1.00 96.88           C  
+ATOM    652  N   ARG A  86      26.886  13.050 -14.309  1.00 95.76           N  
+ATOM    653  CA  ARG A  86      27.262  13.044 -12.899  1.00 95.76           C  
+ATOM    654  C   ARG A  86      28.204  11.885 -12.589  1.00 95.76           C  
+ATOM    655  CB  ARG A  86      26.019  12.961 -12.010  1.00 95.76           C  
+ATOM    656  O   ARG A  86      29.186  12.054 -11.862  1.00 95.76           O  
+ATOM    657  CG  ARG A  86      25.269  14.277 -11.877  1.00 95.76           C  
+ATOM    658  CD  ARG A  86      24.070  14.150 -10.947  1.00 95.76           C  
+ATOM    659  NE  ARG A  86      23.275  15.375 -10.923  1.00 95.76           N  
+ATOM    660  NH1 ARG A  86      21.429  14.402  -9.932  1.00 95.76           N  
+ATOM    661  NH2 ARG A  86      21.407  16.630 -10.469  1.00 95.76           N  
+ATOM    662  CZ  ARG A  86      22.039  15.466 -10.441  1.00 95.76           C  
+ATOM    663  N   ALA A  87      27.882  10.791 -13.134  1.00 95.92           N  
+ATOM    664  CA  ALA A  87      28.696   9.599 -12.916  1.00 95.92           C  
+ATOM    665  C   ALA A  87      30.093   9.774 -13.505  1.00 95.92           C  
+ATOM    666  CB  ALA A  87      28.017   8.372 -13.521  1.00 95.92           C  
+ATOM    667  O   ALA A  87      31.061   9.194 -13.006  1.00 95.92           O  
+ATOM    668  N   MET A  88      30.149  10.510 -14.562  1.00 96.55           N  
+ATOM    669  CA  MET A  88      31.448  10.793 -15.166  1.00 96.55           C  
+ATOM    670  C   MET A  88      32.373  11.485 -14.170  1.00 96.55           C  
+ATOM    671  CB  MET A  88      31.283  11.659 -16.416  1.00 96.55           C  
+ATOM    672  O   MET A  88      33.565  11.179 -14.107  1.00 96.55           O  
+ATOM    673  CG  MET A  88      30.751  10.901 -17.621  1.00 96.55           C  
+ATOM    674  SD  MET A  88      30.575  11.970 -19.102  1.00 96.55           S  
+ATOM    675  CE  MET A  88      32.322  12.216 -19.528  1.00 96.55           C  
+ATOM    676  N   GLY A  89      31.820  12.428 -13.428  1.00 93.42           N  
+ATOM    677  CA  GLY A  89      32.590  13.096 -12.391  1.00 93.42           C  
+ATOM    678  C   GLY A  89      33.082  12.152 -11.311  1.00 93.42           C  
+ATOM    679  O   GLY A  89      34.254  12.193 -10.930  1.00 93.42           O  
+ATOM    680  N   ARG A  90      32.279  11.235 -10.935  1.00 93.17           N  
+ATOM    681  CA  ARG A  90      32.584  10.276  -9.878  1.00 93.17           C  
+ATOM    682  C   ARG A  90      33.588   9.233 -10.359  1.00 93.17           C  
+ATOM    683  CB  ARG A  90      31.308   9.589  -9.389  1.00 93.17           C  
+ATOM    684  O   ARG A  90      34.493   8.846  -9.617  1.00 93.17           O  
+ATOM    685  CG  ARG A  90      30.380  10.500  -8.602  1.00 93.17           C  
+ATOM    686  CD  ARG A  90      29.127   9.769  -8.142  1.00 93.17           C  
+ATOM    687  NE  ARG A  90      28.166  10.680  -7.527  1.00 93.17           N  
+ATOM    688  NH1 ARG A  90      26.562   9.061  -7.147  1.00 93.17           N  
+ATOM    689  NH2 ARG A  90      26.174  11.234  -6.527  1.00 93.17           N  
+ATOM    690  CZ  ARG A  90      26.969  10.323  -7.068  1.00 93.17           C  
+ATOM    691  N   LEU A  91      33.480   8.848 -11.584  1.00 94.88           N  
+ATOM    692  CA  LEU A  91      34.324   7.794 -12.137  1.00 94.88           C  
+ATOM    693  C   LEU A  91      35.558   8.385 -12.812  1.00 94.88           C  
+ATOM    694  CB  LEU A  91      33.536   6.947 -13.140  1.00 94.88           C  
+ATOM    695  O   LEU A  91      36.378   7.650 -13.368  1.00 94.88           O  
+ATOM    696  CG  LEU A  91      32.370   6.136 -12.572  1.00 94.88           C  
+ATOM    697  CD1 LEU A  91      31.589   5.471 -13.701  1.00 94.88           C  
+ATOM    698  CD2 LEU A  91      32.876   5.095 -11.580  1.00 94.88           C  
+ATOM    699  N   LYS A  92      35.622   9.666 -12.755  1.00 94.99           N  
+ATOM    700  CA  LYS A  92      36.758  10.411 -13.290  1.00 94.99           C  
+ATOM    701  C   LYS A  92      36.977  10.093 -14.767  1.00 94.99           C  
+ATOM    702  CB  LYS A  92      38.027  10.101 -12.494  1.00 94.99           C  
+ATOM    703  O   LYS A  92      38.106   9.841 -15.192  1.00 94.99           O  
+ATOM    704  CG  LYS A  92      37.967  10.538 -11.038  1.00 94.99           C  
+ATOM    705  CD  LYS A  92      39.301  10.324 -10.335  1.00 94.99           C  
+ATOM    706  CE  LYS A  92      39.243  10.768  -8.879  1.00 94.99           C  
+ATOM    707  NZ  LYS A  92      40.546  10.551  -8.182  1.00 94.99           N  
+ATOM    708  N   ILE A  93      35.939  10.106 -15.551  1.00 95.79           N  
+ATOM    709  CA  ILE A  93      35.992   9.925 -16.998  1.00 95.79           C  
+ATOM    710  C   ILE A  93      35.932  11.285 -17.690  1.00 95.79           C  
+ATOM    711  CB  ILE A  93      34.845   9.018 -17.496  1.00 95.79           C  
+ATOM    712  O   ILE A  93      35.032  12.085 -17.423  1.00 95.79           O  
+ATOM    713  CG1 ILE A  93      34.927   7.639 -16.831  1.00 95.79           C  
+ATOM    714  CG2 ILE A  93      34.881   8.892 -19.022  1.00 95.79           C  
+ATOM    715  CD1 ILE A  93      33.751   6.726 -17.151  1.00 95.79           C  
+ATOM    716  N   ASP A  94      36.870  11.488 -18.578  1.00 96.16           N  
+ATOM    717  CA  ASP A  94      36.934  12.760 -19.292  1.00 96.16           C  
+ATOM    718  C   ASP A  94      36.077  12.723 -20.556  1.00 96.16           C  
+ATOM    719  CB  ASP A  94      38.381  13.104 -19.648  1.00 96.16           C  
+ATOM    720  O   ASP A  94      35.824  11.651 -21.110  1.00 96.16           O  
+ATOM    721  CG  ASP A  94      39.248  13.357 -18.428  1.00 96.16           C  
+ATOM    722  OD1 ASP A  94      38.751  13.930 -17.435  1.00 96.16           O  
+ATOM    723  OD2 ASP A  94      40.440  12.981 -18.460  1.00 96.16           O  
+ATOM    724  N   PHE A  95      35.681  13.924 -20.935  1.00 97.28           N  
+ATOM    725  CA  PHE A  95      34.983  14.031 -22.211  1.00 97.28           C  
+ATOM    726  C   PHE A  95      35.928  13.740 -23.371  1.00 97.28           C  
+ATOM    727  CB  PHE A  95      34.367  15.424 -22.373  1.00 97.28           C  
+ATOM    728  O   PHE A  95      37.133  13.978 -23.272  1.00 97.28           O  
+ATOM    729  CG  PHE A  95      33.240  15.704 -21.416  1.00 97.28           C  
+ATOM    730  CD1 PHE A  95      32.005  15.089 -21.575  1.00 97.28           C  
+ATOM    731  CD2 PHE A  95      33.416  16.584 -20.356  1.00 97.28           C  
+ATOM    732  CE1 PHE A  95      30.960  15.346 -20.691  1.00 97.28           C  
+ATOM    733  CE2 PHE A  95      32.377  16.847 -19.468  1.00 97.28           C  
+ATOM    734  CZ  PHE A  95      31.149  16.227 -19.638  1.00 97.28           C  
+ATOM    735  N   GLY A  96      35.406  13.056 -24.365  1.00 95.51           N  
+ATOM    736  CA  GLY A  96      36.208  12.893 -25.568  1.00 95.51           C  
+ATOM    737  C   GLY A  96      36.609  14.212 -26.200  1.00 95.51           C  
+ATOM    738  O   GLY A  96      37.745  14.371 -26.651  1.00 95.51           O  
+ATOM    739  N   ASP A  97      35.647  15.138 -26.175  1.00 94.60           N  
+ATOM    740  CA  ASP A  97      35.820  16.514 -26.629  1.00 94.60           C  
+ATOM    741  C   ASP A  97      35.705  17.495 -25.464  1.00 94.60           C  
+ATOM    742  CB  ASP A  97      34.791  16.857 -27.709  1.00 94.60           C  
+ATOM    743  O   ASP A  97      34.660  17.576 -24.815  1.00 94.60           O  
+ATOM    744  CG  ASP A  97      35.047  18.202 -28.366  1.00 94.60           C  
+ATOM    745  OD1 ASP A  97      35.812  19.018 -27.808  1.00 94.60           O  
+ATOM    746  OD2 ASP A  97      34.476  18.449 -29.450  1.00 94.60           O  
+ATOM    747  N   ALA A  98      36.754  18.284 -25.277  1.00 92.47           N  
+ATOM    748  CA  ALA A  98      36.816  19.215 -24.153  1.00 92.47           C  
+ATOM    749  C   ALA A  98      35.672  20.223 -24.213  1.00 92.47           C  
+ATOM    750  CB  ALA A  98      38.159  19.940 -24.136  1.00 92.47           C  
+ATOM    751  O   ALA A  98      35.259  20.764 -23.184  1.00 92.47           O  
+ATOM    752  N   ALA A  99      35.160  20.468 -25.450  1.00 92.28           N  
+ATOM    753  CA  ALA A  99      34.059  21.407 -25.650  1.00 92.28           C  
+ATOM    754  C   ALA A  99      32.782  20.906 -24.981  1.00 92.28           C  
+ATOM    755  CB  ALA A  99      33.820  21.637 -27.140  1.00 92.28           C  
+ATOM    756  O   ALA A  99      31.880  21.692 -24.684  1.00 92.28           O  
+ATOM    757  N   ARG A 100      32.730  19.600 -24.734  1.00 96.10           N  
+ATOM    758  CA  ARG A 100      31.512  19.023 -24.174  1.00 96.10           C  
+ATOM    759  C   ARG A 100      31.363  19.383 -22.700  1.00 96.10           C  
+ATOM    760  CB  ARG A 100      31.509  17.502 -24.345  1.00 96.10           C  
+ATOM    761  O   ARG A 100      30.262  19.325 -22.150  1.00 96.10           O  
+ATOM    762  CG  ARG A 100      31.461  17.046 -25.795  1.00 96.10           C  
+ATOM    763  CD  ARG A 100      30.182  17.497 -26.486  1.00 96.10           C  
+ATOM    764  NE  ARG A 100      30.361  18.773 -27.172  1.00 96.10           N  
+ATOM    765  NH1 ARG A 100      31.226  17.850 -29.105  1.00 96.10           N  
+ATOM    766  NH2 ARG A 100      30.973  20.121 -28.928  1.00 96.10           N  
+ATOM    767  CZ  ARG A 100      30.853  18.912 -28.400  1.00 96.10           C  
+ATOM    768  N   ALA A 101      32.413  19.804 -22.046  1.00 93.29           N  
+ATOM    769  CA  ALA A 101      32.329  20.291 -20.671  1.00 93.29           C  
+ATOM    770  C   ALA A 101      31.361  21.465 -20.563  1.00 93.29           C  
+ATOM    771  CB  ALA A 101      33.711  20.696 -20.165  1.00 93.29           C  
+ATOM    772  O   ALA A 101      30.573  21.543 -19.619  1.00 93.29           O  
+ATOM    773  N   ASP A 102      31.438  22.380 -21.531  1.00 94.05           N  
+ATOM    774  CA  ASP A 102      30.519  23.513 -21.584  1.00 94.05           C  
+ATOM    775  C   ASP A 102      29.086  23.047 -21.830  1.00 94.05           C  
+ATOM    776  CB  ASP A 102      30.946  24.500 -22.673  1.00 94.05           C  
+ATOM    777  O   ASP A 102      28.145  23.577 -21.235  1.00 94.05           O  
+ATOM    778  CG  ASP A 102      32.211  25.261 -22.320  1.00 94.05           C  
+ATOM    779  OD1 ASP A 102      32.519  25.410 -21.118  1.00 94.05           O  
+ATOM    780  OD2 ASP A 102      32.906  25.720 -23.253  1.00 94.05           O  
+ATOM    781  N   ASP A 103      28.932  22.026 -22.661  1.00 95.37           N  
+ATOM    782  CA  ASP A 103      27.610  21.463 -22.918  1.00 95.37           C  
+ATOM    783  C   ASP A 103      27.010  20.865 -21.647  1.00 95.37           C  
+ATOM    784  CB  ASP A 103      27.683  20.400 -24.016  1.00 95.37           C  
+ATOM    785  O   ASP A 103      25.813  21.011 -21.391  1.00 95.37           O  
+ATOM    786  CG  ASP A 103      27.906  20.989 -25.398  1.00 95.37           C  
+ATOM    787  OD1 ASP A 103      27.544  22.163 -25.626  1.00 95.37           O  
+ATOM    788  OD2 ASP A 103      28.446  20.271 -26.267  1.00 95.37           O  
+ATOM    789  N   ALA A 104      27.867  20.196 -20.887  1.00 94.47           N  
+ATOM    790  CA  ALA A 104      27.420  19.607 -19.628  1.00 94.47           C  
+ATOM    791  C   ALA A 104      26.915  20.681 -18.668  1.00 94.47           C  
+ATOM    792  CB  ALA A 104      28.550  18.810 -18.982  1.00 94.47           C  
+ATOM    793  O   ALA A 104      25.871  20.514 -18.033  1.00 94.47           O  
+ATOM    794  N   ARG A 105      27.625  21.822 -18.595  1.00 94.16           N  
+ATOM    795  CA  ARG A 105      27.198  22.941 -17.761  1.00 94.16           C  
+ATOM    796  C   ARG A 105      25.864  23.503 -18.240  1.00 94.16           C  
+ATOM    797  CB  ARG A 105      28.260  24.043 -17.755  1.00 94.16           C  
+ATOM    798  O   ARG A 105      24.976  23.782 -17.432  1.00 94.16           O  
+ATOM    799  CG  ARG A 105      29.499  23.701 -16.943  1.00 94.16           C  
+ATOM    800  CD  ARG A 105      30.390  24.918 -16.735  1.00 94.16           C  
+ATOM    801  NE  ARG A 105      31.032  25.335 -17.978  1.00 94.16           N  
+ATOM    802  NH1 ARG A 105      32.956  24.102 -17.640  1.00 94.16           N  
+ATOM    803  NH2 ARG A 105      32.725  25.379 -19.529  1.00 94.16           N  
+ATOM    804  CZ  ARG A 105      32.236  24.938 -18.379  1.00 94.16           C  
+ATOM    805  N   GLN A 106      25.758  23.605 -19.522  1.00 93.57           N  
+ATOM    806  CA  GLN A 106      24.527  24.107 -20.124  1.00 93.57           C  
+ATOM    807  C   GLN A 106      23.358  23.166 -19.852  1.00 93.57           C  
+ATOM    808  CB  GLN A 106      24.706  24.301 -21.631  1.00 93.57           C  
+ATOM    809  O   GLN A 106      22.227  23.614 -19.650  1.00 93.57           O  
+ATOM    810  CG  GLN A 106      25.556  25.509 -21.999  1.00 93.57           C  
+ATOM    811  CD  GLN A 106      25.678  25.707 -23.498  1.00 93.57           C  
+ATOM    812  NE2 GLN A 106      26.613  26.556 -23.911  1.00 93.57           N  
+ATOM    813  OE1 GLN A 106      24.938  25.100 -24.279  1.00 93.57           O  
+ATOM    814  N   LEU A 107      23.642  21.891 -19.953  1.00 94.24           N  
+ATOM    815  CA  LEU A 107      22.621  20.884 -19.687  1.00 94.24           C  
+ATOM    816  C   LEU A 107      21.987  21.102 -18.317  1.00 94.24           C  
+ATOM    817  CB  LEU A 107      23.221  19.478 -19.767  1.00 94.24           C  
+ATOM    818  O   LEU A 107      20.760  21.125 -18.193  1.00 94.24           O  
+ATOM    819  CG  LEU A 107      22.316  18.329 -19.321  1.00 94.24           C  
+ATOM    820  CD1 LEU A 107      21.153  18.161 -20.294  1.00 94.24           C  
+ATOM    821  CD2 LEU A 107      23.113  17.034 -19.205  1.00 94.24           C  
+ATOM    822  N   PHE A 108      22.810  21.292 -17.293  1.00 92.85           N  
+ATOM    823  CA  PHE A 108      22.328  21.436 -15.925  1.00 92.85           C  
+ATOM    824  C   PHE A 108      21.521  22.720 -15.768  1.00 92.85           C  
+ATOM    825  CB  PHE A 108      23.498  21.428 -14.937  1.00 92.85           C  
+ATOM    826  O   PHE A 108      20.503  22.739 -15.073  1.00 92.85           O  
+ATOM    827  CG  PHE A 108      24.051  20.055 -14.662  1.00 92.85           C  
+ATOM    828  CD1 PHE A 108      23.332  19.140 -13.903  1.00 92.85           C  
+ATOM    829  CD2 PHE A 108      25.290  19.680 -15.164  1.00 92.85           C  
+ATOM    830  CE1 PHE A 108      23.841  17.869 -13.648  1.00 92.85           C  
+ATOM    831  CE2 PHE A 108      25.806  18.411 -14.912  1.00 92.85           C  
+ATOM    832  CZ  PHE A 108      25.080  17.508 -14.154  1.00 92.85           C  
+ATOM    833  N   VAL A 109      21.899  23.773 -16.462  1.00 92.31           N  
+ATOM    834  CA  VAL A 109      21.203  25.053 -16.406  1.00 92.31           C  
+ATOM    835  C   VAL A 109      19.850  24.937 -17.105  1.00 92.31           C  
+ATOM    836  CB  VAL A 109      22.039  26.183 -17.049  1.00 92.31           C  
+ATOM    837  O   VAL A 109      18.818  25.303 -16.538  1.00 92.31           O  
+ATOM    838  CG1 VAL A 109      21.213  27.462 -17.174  1.00 92.31           C  
+ATOM    839  CG2 VAL A 109      23.305  26.439 -16.233  1.00 92.31           C  
+ATOM    840  N   LEU A 110      19.853  24.337 -18.254  1.00 89.72           N  
+ATOM    841  CA  LEU A 110      18.635  24.229 -19.050  1.00 89.72           C  
+ATOM    842  C   LEU A 110      17.657  23.247 -18.415  1.00 89.72           C  
+ATOM    843  CB  LEU A 110      18.966  23.787 -20.478  1.00 89.72           C  
+ATOM    844  O   LEU A 110      16.445  23.474 -18.430  1.00 89.72           O  
+ATOM    845  CG  LEU A 110      19.702  24.805 -21.350  1.00 89.72           C  
+ATOM    846  CD1 LEU A 110      20.095  24.176 -22.682  1.00 89.72           C  
+ATOM    847  CD2 LEU A 110      18.839  26.043 -21.572  1.00 89.72           C  
+ATOM    848  N   ALA A 111      18.218  22.164 -17.952  1.00 87.56           N  
+ATOM    849  CA  ALA A 111      17.374  21.162 -17.305  1.00 87.56           C  
+ATOM    850  C   ALA A 111      16.682  21.740 -16.074  1.00 87.56           C  
+ATOM    851  CB  ALA A 111      18.201  19.937 -16.922  1.00 87.56           C  
+ATOM    852  O   ALA A 111      15.523  21.420 -15.798  1.00 87.56           O  
+ATOM    853  N   GLY A 112      17.398  22.580 -15.327  1.00 84.39           N  
+ATOM    854  CA  GLY A 112      16.848  23.235 -14.152  1.00 84.39           C  
+ATOM    855  C   GLY A 112      15.752  24.232 -14.482  1.00 84.39           C  
+ATOM    856  O   GLY A 112      14.838  24.444 -13.684  1.00 84.39           O  
+ATOM    857  N   ALA A 113      15.827  24.807 -15.697  1.00 84.00           N  
+ATOM    858  CA  ALA A 113      14.875  25.822 -16.140  1.00 84.00           C  
+ATOM    859  C   ALA A 113      13.733  25.194 -16.934  1.00 84.00           C  
+ATOM    860  CB  ALA A 113      15.581  26.884 -16.979  1.00 84.00           C  
+ATOM    861  O   ALA A 113      12.738  25.858 -17.233  1.00 84.00           O  
+ATOM    862  N   ALA A 114      13.908  23.947 -17.296  1.00 78.07           N  
+ATOM    863  CA  ALA A 114      12.955  23.292 -18.188  1.00 78.07           C  
+ATOM    864  C   ALA A 114      11.608  23.092 -17.500  1.00 78.07           C  
+ATOM    865  CB  ALA A 114      13.509  21.952 -18.667  1.00 78.07           C  
+ATOM    866  O   ALA A 114      11.553  22.761 -16.313  1.00 78.07           O  
+ATOM    867  N   GLU A 115      10.545  23.614 -18.221  1.00 75.16           N  
+ATOM    868  CA  GLU A 115       9.176  23.327 -17.802  1.00 75.16           C  
+ATOM    869  C   GLU A 115       8.820  21.863 -18.045  1.00 75.16           C  
+ATOM    870  CB  GLU A 115       8.187  24.237 -18.536  1.00 75.16           C  
+ATOM    871  O   GLU A 115       9.315  21.247 -18.991  1.00 75.16           O  
+ATOM    872  CG  GLU A 115       8.226  25.686 -18.074  1.00 75.16           C  
+ATOM    873  CD  GLU A 115       7.209  26.569 -18.780  1.00 75.16           C  
+ATOM    874  OE1 GLU A 115       7.195  27.796 -18.533  1.00 75.16           O  
+ATOM    875  OE2 GLU A 115       6.419  26.028 -19.586  1.00 75.16           O  
+ATOM    876  N   GLU A 116       8.058  21.289 -17.086  1.00 71.59           N  
+ATOM    877  CA  GLU A 116       7.594  19.909 -17.204  1.00 71.59           C  
+ATOM    878  C   GLU A 116       6.871  19.682 -18.528  1.00 71.59           C  
+ATOM    879  CB  GLU A 116       6.676  19.549 -16.034  1.00 71.59           C  
+ATOM    880  O   GLU A 116       6.000  20.468 -18.908  1.00 71.59           O  
+ATOM    881  CG  GLU A 116       7.420  19.154 -14.766  1.00 71.59           C  
+ATOM    882  CD  GLU A 116       6.495  18.769 -13.623  1.00 71.59           C  
+ATOM    883  OE1 GLU A 116       6.993  18.479 -12.511  1.00 71.59           O  
+ATOM    884  OE2 GLU A 116       5.263  18.755 -13.841  1.00 71.59           O  
+ATOM    885  N   GLY A 117       7.361  18.789 -19.334  1.00 72.45           N  
+ATOM    886  CA  GLY A 117       6.678  18.326 -20.531  1.00 72.45           C  
+ATOM    887  C   GLY A 117       7.177  18.993 -21.799  1.00 72.45           C  
+ATOM    888  O   GLY A 117       6.572  18.849 -22.863  1.00 72.45           O  
+ATOM    889  N   PHE A 118       8.228  19.835 -21.672  1.00 81.49           N  
+ATOM    890  CA  PHE A 118       8.709  20.546 -22.851  1.00 81.49           C  
+ATOM    891  C   PHE A 118      10.209  20.345 -23.030  1.00 81.49           C  
+ATOM    892  CB  PHE A 118       8.389  22.041 -22.746  1.00 81.49           C  
+ATOM    893  O   PHE A 118      10.992  20.634 -22.123  1.00 81.49           O  
+ATOM    894  CG  PHE A 118       6.940  22.370 -22.989  1.00 81.49           C  
+ATOM    895  CD1 PHE A 118       6.474  22.611 -24.275  1.00 81.49           C  
+ATOM    896  CD2 PHE A 118       6.045  22.437 -21.929  1.00 81.49           C  
+ATOM    897  CE1 PHE A 118       5.134  22.916 -24.503  1.00 81.49           C  
+ATOM    898  CE2 PHE A 118       4.704  22.741 -22.149  1.00 81.49           C  
+ATOM    899  CZ  PHE A 118       4.251  22.981 -23.436  1.00 81.49           C  
+ATOM    900  N   MET A 119      10.586  19.808 -24.265  1.00 87.65           N  
+ATOM    901  CA  MET A 119      11.979  19.674 -24.680  1.00 87.65           C  
+ATOM    902  C   MET A 119      12.348  20.745 -25.701  1.00 87.65           C  
+ATOM    903  CB  MET A 119      12.235  18.284 -25.265  1.00 87.65           C  
+ATOM    904  O   MET A 119      11.944  20.667 -26.863  1.00 87.65           O  
+ATOM    905  CG  MET A 119      13.687  18.035 -25.641  1.00 87.65           C  
+ATOM    906  SD  MET A 119      14.757  17.765 -24.175  1.00 87.65           S  
+ATOM    907  CE  MET A 119      14.017  16.246 -23.515  1.00 87.65           C  
+ATOM    908  N   THR A 120      13.137  21.746 -25.274  1.00 90.08           N  
+ATOM    909  CA  THR A 120      13.529  22.809 -26.192  1.00 90.08           C  
+ATOM    910  C   THR A 120      14.567  22.306 -27.191  1.00 90.08           C  
+ATOM    911  CB  THR A 120      14.092  24.024 -25.432  1.00 90.08           C  
+ATOM    912  O   THR A 120      15.280  21.337 -26.919  1.00 90.08           O  
+ATOM    913  CG2 THR A 120      13.072  24.572 -24.439  1.00 90.08           C  
+ATOM    914  OG1 THR A 120      15.272  23.631 -24.720  1.00 90.08           O  
+ATOM    915  N   ALA A 121      14.582  22.913 -28.410  1.00 90.15           N  
+ATOM    916  CA  ALA A 121      15.542  22.544 -29.447  1.00 90.15           C  
+ATOM    917  C   ALA A 121      16.975  22.699 -28.947  1.00 90.15           C  
+ATOM    918  CB  ALA A 121      15.324  23.390 -30.699  1.00 90.15           C  
+ATOM    919  O   ALA A 121      17.845  21.888 -29.274  1.00 90.15           O  
+ATOM    920  N   GLU A 122      17.097  23.712 -28.134  1.00 92.27           N  
+ATOM    921  CA  GLU A 122      18.416  23.978 -27.567  1.00 92.27           C  
+ATOM    922  C   GLU A 122      18.851  22.854 -26.632  1.00 92.27           C  
+ATOM    923  CB  GLU A 122      18.420  25.314 -26.820  1.00 92.27           C  
+ATOM    924  O   GLU A 122      19.982  22.370 -26.718  1.00 92.27           O  
+ATOM    925  CG  GLU A 122      19.797  25.742 -26.334  1.00 92.27           C  
+ATOM    926  CD  GLU A 122      19.785  27.065 -25.584  1.00 92.27           C  
+ATOM    927  OE1 GLU A 122      20.872  27.568 -25.222  1.00 92.27           O  
+ATOM    928  OE2 GLU A 122      18.678  27.602 -25.355  1.00 92.27           O  
+ATOM    929  N   LEU A 123      17.991  22.478 -25.733  1.00 93.31           N  
+ATOM    930  CA  LEU A 123      18.277  21.400 -24.793  1.00 93.31           C  
+ATOM    931  C   LEU A 123      18.522  20.087 -25.529  1.00 93.31           C  
+ATOM    932  CB  LEU A 123      17.123  21.234 -23.800  1.00 93.31           C  
+ATOM    933  O   LEU A 123      19.486  19.376 -25.234  1.00 93.31           O  
+ATOM    934  CG  LEU A 123      17.281  20.128 -22.755  1.00 93.31           C  
+ATOM    935  CD1 LEU A 123      18.563  20.336 -21.955  1.00 93.31           C  
+ATOM    936  CD2 LEU A 123      16.069  20.087 -21.832  1.00 93.31           C  
+ATOM    937  N   ALA A 124      17.696  19.787 -26.462  1.00 94.41           N  
+ATOM    938  CA  ALA A 124      17.842  18.571 -27.258  1.00 94.41           C  
+ATOM    939  C   ALA A 124      19.185  18.546 -27.981  1.00 94.41           C  
+ATOM    940  CB  ALA A 124      16.698  18.454 -28.263  1.00 94.41           C  
+ATOM    941  O   ALA A 124      19.836  17.501 -28.059  1.00 94.41           O  
+ATOM    942  N   GLY A 125      19.562  19.722 -28.497  1.00 95.69           N  
+ATOM    943  CA  GLY A 125      20.847  19.832 -29.170  1.00 95.69           C  
+ATOM    944  C   GLY A 125      22.023  19.523 -28.263  1.00 95.69           C  
+ATOM    945  O   GLY A 125      22.946  18.806 -28.657  1.00 95.69           O  
+ATOM    946  N   VAL A 126      21.964  20.024 -27.070  1.00 95.94           N  
+ATOM    947  CA  VAL A 126      23.016  19.801 -26.084  1.00 95.94           C  
+ATOM    948  C   VAL A 126      23.078  18.319 -25.720  1.00 95.94           C  
+ATOM    949  CB  VAL A 126      22.794  20.652 -24.814  1.00 95.94           C  
+ATOM    950  O   VAL A 126      24.159  17.726 -25.690  1.00 95.94           O  
+ATOM    951  CG1 VAL A 126      23.739  20.214 -23.697  1.00 95.94           C  
+ATOM    952  CG2 VAL A 126      22.982  22.136 -25.126  1.00 95.94           C  
+ATOM    953  N   ILE A 127      21.986  17.748 -25.516  1.00 96.69           N  
+ATOM    954  CA  ILE A 127      21.914  16.342 -25.133  1.00 96.69           C  
+ATOM    955  C   ILE A 127      22.468  15.472 -26.259  1.00 96.69           C  
+ATOM    956  CB  ILE A 127      20.466  15.922 -24.795  1.00 96.69           C  
+ATOM    957  O   ILE A 127      23.234  14.537 -26.010  1.00 96.69           O  
+ATOM    958  CG1 ILE A 127      19.983  16.640 -23.530  1.00 96.69           C  
+ATOM    959  CG2 ILE A 127      20.368  14.402 -24.633  1.00 96.69           C  
+ATOM    960  CD1 ILE A 127      18.523  16.377 -23.188  1.00 96.69           C  
+ATOM    961  N   LYS A 128      22.098  15.796 -27.414  1.00 96.63           N  
+ATOM    962  CA  LYS A 128      22.546  15.045 -28.583  1.00 96.63           C  
+ATOM    963  C   LYS A 128      24.068  15.066 -28.700  1.00 96.63           C  
+ATOM    964  CB  LYS A 128      21.915  15.607 -29.858  1.00 96.63           C  
+ATOM    965  O   LYS A 128      24.692  14.030 -28.934  1.00 96.63           O  
+ATOM    966  CG  LYS A 128      22.155  14.756 -31.096  1.00 96.63           C  
+ATOM    967  CD  LYS A 128      21.406  15.302 -32.304  1.00 96.63           C  
+ATOM    968  CE  LYS A 128      21.604  14.422 -33.531  1.00 96.63           C  
+ATOM    969  NZ  LYS A 128      20.836  14.930 -34.707  1.00 96.63           N  
+ATOM    970  N   ARG A 129      24.693  16.192 -28.580  1.00 96.95           N  
+ATOM    971  CA  ARG A 129      26.143  16.327 -28.663  1.00 96.95           C  
+ATOM    972  C   ARG A 129      26.829  15.568 -27.532  1.00 96.95           C  
+ATOM    973  CB  ARG A 129      26.549  17.802 -28.626  1.00 96.95           C  
+ATOM    974  O   ARG A 129      27.849  14.910 -27.748  1.00 96.95           O  
+ATOM    975  CG  ARG A 129      26.219  18.563 -29.900  1.00 96.95           C  
+ATOM    976  CD  ARG A 129      26.898  19.926 -29.934  1.00 96.95           C  
+ATOM    977  NE  ARG A 129      26.390  20.808 -28.888  1.00 96.95           N  
+ATOM    978  NH1 ARG A 129      24.575  21.551 -30.109  1.00 96.95           N  
+ATOM    979  NH2 ARG A 129      24.925  22.326 -27.981  1.00 96.95           N  
+ATOM    980  CZ  ARG A 129      25.298  21.560 -28.995  1.00 96.95           C  
+ATOM    981  N   LEU A 130      26.235  15.662 -26.403  1.00 97.29           N  
+ATOM    982  CA  LEU A 130      26.800  14.963 -25.254  1.00 97.29           C  
+ATOM    983  C   LEU A 130      26.718  13.452 -25.442  1.00 97.29           C  
+ATOM    984  CB  LEU A 130      26.073  15.370 -23.969  1.00 97.29           C  
+ATOM    985  O   LEU A 130      27.677  12.733 -25.153  1.00 97.29           O  
+ATOM    986  CG  LEU A 130      26.381  16.767 -23.429  1.00 97.29           C  
+ATOM    987  CD1 LEU A 130      25.406  17.131 -22.314  1.00 97.29           C  
+ATOM    988  CD2 LEU A 130      27.821  16.844 -22.934  1.00 97.29           C  
+ATOM    989  N   TRP A 131      25.573  12.985 -25.906  1.00 97.58           N  
+ATOM    990  CA  TRP A 131      25.342  11.554 -26.069  1.00 97.58           C  
+ATOM    991  C   TRP A 131      26.288  10.964 -27.110  1.00 97.58           C  
+ATOM    992  CB  TRP A 131      23.889  11.286 -26.471  1.00 97.58           C  
+ATOM    993  O   TRP A 131      26.716   9.814 -26.988  1.00 97.58           O  
+ATOM    994  CG  TRP A 131      23.576   9.836 -26.694  1.00 97.58           C  
+ATOM    995  CD1 TRP A 131      23.022   9.275 -27.810  1.00 97.58           C  
+ATOM    996  CD2 TRP A 131      23.795   8.764 -25.772  1.00 97.58           C  
+ATOM    997  CE2 TRP A 131      23.351   7.578 -26.397  1.00 97.58           C  
+ATOM    998  CE3 TRP A 131      24.326   8.691 -24.477  1.00 97.58           C  
+ATOM    999  NE1 TRP A 131      22.884   7.917 -27.638  1.00 97.58           N  
+ATOM   1000  CH2 TRP A 131      23.945   6.289 -24.503  1.00 97.58           C  
+ATOM   1001  CZ2 TRP A 131      23.421   6.332 -25.769  1.00 97.58           C  
+ATOM   1002  CZ3 TRP A 131      24.395   7.450 -23.854  1.00 97.58           C  
+ATOM   1003  N   LYS A 132      26.747  11.689 -28.104  1.00 97.12           N  
+ATOM   1004  CA  LYS A 132      27.647  11.239 -29.163  1.00 97.12           C  
+ATOM   1005  C   LYS A 132      29.099  11.256 -28.694  1.00 97.12           C  
+ATOM   1006  CB  LYS A 132      27.487  12.112 -30.408  1.00 97.12           C  
+ATOM   1007  O   LYS A 132      29.969  10.660 -29.333  1.00 97.12           O  
+ATOM   1008  CG  LYS A 132      26.206  11.852 -31.186  1.00 97.12           C  
+ATOM   1009  CD  LYS A 132      26.162  12.659 -32.477  1.00 97.12           C  
+ATOM   1010  CE  LYS A 132      24.888  12.387 -33.266  1.00 97.12           C  
+ATOM   1011  NZ  LYS A 132      24.823  13.205 -34.513  1.00 97.12           N  
+ATOM   1012  N   ASP A 133      29.335  11.891 -27.609  1.00 97.99           N  
+ATOM   1013  CA  ASP A 133      30.693  12.002 -27.086  1.00 97.99           C  
+ATOM   1014  C   ASP A 133      31.224  10.640 -26.645  1.00 97.99           C  
+ATOM   1015  CB  ASP A 133      30.740  12.989 -25.918  1.00 97.99           C  
+ATOM   1016  O   ASP A 133      30.508   9.866 -26.007  1.00 97.99           O  
+ATOM   1017  CG  ASP A 133      32.125  13.124 -25.311  1.00 97.99           C  
+ATOM   1018  OD1 ASP A 133      32.387  12.521 -24.248  1.00 97.99           O  
+ATOM   1019  OD2 ASP A 133      32.962  13.842 -25.900  1.00 97.99           O  
+ATOM   1020  N   SER A 134      32.541  10.413 -26.980  1.00 97.36           N  
+ATOM   1021  CA  SER A 134      33.163   9.125 -26.693  1.00 97.36           C  
+ATOM   1022  C   SER A 134      33.289   8.895 -25.190  1.00 97.36           C  
+ATOM   1023  CB  SER A 134      34.542   9.037 -27.347  1.00 97.36           C  
+ATOM   1024  O   SER A 134      33.128   7.769 -24.714  1.00 97.36           O  
+ATOM   1025  OG  SER A 134      35.384  10.081 -26.889  1.00 97.36           O  
+ATOM   1026  N   GLY A 135      33.617   9.987 -24.406  1.00 97.15           N  
+ATOM   1027  CA  GLY A 135      33.685   9.875 -22.957  1.00 97.15           C  
+ATOM   1028  C   GLY A 135      32.354   9.521 -22.323  1.00 97.15           C  
+ATOM   1029  O   GLY A 135      32.289   8.659 -21.444  1.00 97.15           O  
+ATOM   1030  N   VAL A 136      31.330  10.198 -22.841  1.00 97.43           N  
+ATOM   1031  CA  VAL A 136      29.986   9.933 -22.338  1.00 97.43           C  
+ATOM   1032  C   VAL A 136      29.592   8.490 -22.649  1.00 97.43           C  
+ATOM   1033  CB  VAL A 136      28.951  10.909 -22.941  1.00 97.43           C  
+ATOM   1034  O   VAL A 136      29.063   7.785 -21.787  1.00 97.43           O  
+ATOM   1035  CG1 VAL A 136      27.531  10.489 -22.568  1.00 97.43           C  
+ATOM   1036  CG2 VAL A 136      29.230  12.336 -22.472  1.00 97.43           C  
+ATOM   1037  N   GLN A 137      29.840   7.998 -23.815  1.00 97.84           N  
+ATOM   1038  CA  GLN A 137      29.541   6.628 -24.221  1.00 97.84           C  
+ATOM   1039  C   GLN A 137      30.320   5.622 -23.379  1.00 97.84           C  
+ATOM   1040  CB  GLN A 137      29.855   6.426 -25.704  1.00 97.84           C  
+ATOM   1041  O   GLN A 137      29.796   4.565 -23.021  1.00 97.84           O  
+ATOM   1042  CG  GLN A 137      28.874   7.119 -26.640  1.00 97.84           C  
+ATOM   1043  CD  GLN A 137      27.471   6.549 -26.547  1.00 97.84           C  
+ATOM   1044  NE2 GLN A 137      26.489   7.420 -26.344  1.00 97.84           N  
+ATOM   1045  OE1 GLN A 137      27.271   5.335 -26.657  1.00 97.84           O  
+ATOM   1046  N   ALA A 138      31.577   6.017 -23.057  1.00 96.03           N  
+ATOM   1047  CA  ALA A 138      32.401   5.165 -22.203  1.00 96.03           C  
+ATOM   1048  C   ALA A 138      31.789   5.026 -20.812  1.00 96.03           C  
+ATOM   1049  CB  ALA A 138      33.819   5.724 -22.104  1.00 96.03           C  
+ATOM   1050  O   ALA A 138      31.775   3.934 -20.240  1.00 96.03           O  
+ATOM   1051  N   CYS A 139      31.288   6.123 -20.340  1.00 96.93           N  
+ATOM   1052  CA  CYS A 139      30.654   6.110 -19.026  1.00 96.93           C  
+ATOM   1053  C   CYS A 139      29.364   5.300 -19.051  1.00 96.93           C  
+ATOM   1054  CB  CYS A 139      30.363   7.536 -18.558  1.00 96.93           C  
+ATOM   1055  O   CYS A 139      29.073   4.559 -18.111  1.00 96.93           O  
+ATOM   1056  SG  CYS A 139      29.812   7.640 -16.841  1.00 96.93           S  
+ATOM   1057  N   PHE A 140      28.621   5.464 -20.072  1.00 95.91           N  
+ATOM   1058  CA  PHE A 140      27.390   4.703 -20.255  1.00 95.91           C  
+ATOM   1059  C   PHE A 140      27.671   3.205 -20.225  1.00 95.91           C  
+ATOM   1060  CB  PHE A 140      26.712   5.084 -21.575  1.00 95.91           C  
+ATOM   1061  O   PHE A 140      26.905   2.437 -19.639  1.00 95.91           O  
+ATOM   1062  CG  PHE A 140      25.523   4.227 -21.916  1.00 95.91           C  
+ATOM   1063  CD1 PHE A 140      25.600   3.277 -22.926  1.00 95.91           C  
+ATOM   1064  CD2 PHE A 140      24.327   4.373 -21.225  1.00 95.91           C  
+ATOM   1065  CE1 PHE A 140      24.501   2.482 -23.243  1.00 95.91           C  
+ATOM   1066  CE2 PHE A 140      23.224   3.583 -21.537  1.00 95.91           C  
+ATOM   1067  CZ  PHE A 140      23.313   2.639 -22.547  1.00 95.91           C  
+ATOM   1068  N   ASN A 141      28.769   2.753 -20.781  1.00 93.76           N  
+ATOM   1069  CA  ASN A 141      29.149   1.345 -20.827  1.00 93.76           C  
+ATOM   1070  C   ASN A 141      29.507   0.815 -19.442  1.00 93.76           C  
+ATOM   1071  CB  ASN A 141      30.315   1.135 -21.794  1.00 93.76           C  
+ATOM   1072  O   ASN A 141      29.570  -0.398 -19.233  1.00 93.76           O  
+ATOM   1073  CG  ASN A 141      29.902   1.269 -23.247  1.00 93.76           C  
+ATOM   1074  ND2 ASN A 141      30.837   1.680 -24.094  1.00 93.76           N  
+ATOM   1075  OD1 ASN A 141      28.750   1.006 -23.604  1.00 93.76           O  
+ATOM   1076  N   ARG A 142      29.693   1.706 -18.458  1.00 93.85           N  
+ATOM   1077  CA  ARG A 142      29.975   1.353 -17.071  1.00 93.85           C  
+ATOM   1078  C   ARG A 142      28.766   1.620 -16.181  1.00 93.85           C  
+ATOM   1079  CB  ARG A 142      31.188   2.130 -16.553  1.00 93.85           C  
+ATOM   1080  O   ARG A 142      28.915   2.030 -15.028  1.00 93.85           O  
+ATOM   1081  CG  ARG A 142      32.493   1.764 -17.242  1.00 93.85           C  
+ATOM   1082  CD  ARG A 142      33.638   2.662 -16.794  1.00 93.85           C  
+ATOM   1083  NE  ARG A 142      33.970   2.450 -15.388  1.00 93.85           N  
+ATOM   1084  NH1 ARG A 142      35.531   4.151 -15.287  1.00 93.85           N  
+ATOM   1085  NH2 ARG A 142      35.086   2.885 -13.428  1.00 93.85           N  
+ATOM   1086  CZ  ARG A 142      34.862   3.162 -14.704  1.00 93.85           C  
+ATOM   1087  N   SER A 143      27.599   1.577 -16.802  1.00 92.31           N  
+ATOM   1088  CA  SER A 143      26.359   1.980 -16.146  1.00 92.31           C  
+ATOM   1089  C   SER A 143      26.053   1.090 -14.946  1.00 92.31           C  
+ATOM   1090  CB  SER A 143      25.192   1.938 -17.134  1.00 92.31           C  
+ATOM   1091  O   SER A 143      25.225   1.439 -14.103  1.00 92.31           O  
+ATOM   1092  OG  SER A 143      25.044   0.639 -17.681  1.00 92.31           O  
+ATOM   1093  N   ARG A 144      26.767  -0.040 -14.805  1.00 90.36           N  
+ATOM   1094  CA  ARG A 144      26.548  -0.911 -13.655  1.00 90.36           C  
+ATOM   1095  C   ARG A 144      27.085  -0.276 -12.377  1.00 90.36           C  
+ATOM   1096  CB  ARG A 144      27.207  -2.274 -13.880  1.00 90.36           C  
+ATOM   1097  O   ARG A 144      26.743  -0.705 -11.273  1.00 90.36           O  
+ATOM   1098  CG  ARG A 144      28.727  -2.231 -13.884  1.00 90.36           C  
+ATOM   1099  CD  ARG A 144      29.330  -3.622 -14.019  1.00 90.36           C  
+ATOM   1100  NE  ARG A 144      30.790  -3.579 -14.015  1.00 90.36           N  
+ATOM   1101  NH1 ARG A 144      31.063  -5.833 -14.442  1.00 90.36           N  
+ATOM   1102  NH2 ARG A 144      32.895  -4.478 -14.191  1.00 90.36           N  
+ATOM   1103  CZ  ARG A 144      31.579  -4.630 -14.216  1.00 90.36           C  
+ATOM   1104  N   GLU A 145      27.938   0.754 -12.481  1.00 91.97           N  
+ATOM   1105  CA  GLU A 145      28.631   1.370 -11.354  1.00 91.97           C  
+ATOM   1106  C   GLU A 145      27.810   2.509 -10.757  1.00 91.97           C  
+ATOM   1107  CB  GLU A 145      30.007   1.885 -11.785  1.00 91.97           C  
+ATOM   1108  O   GLU A 145      28.196   3.095  -9.744  1.00 91.97           O  
+ATOM   1109  CG  GLU A 145      30.960   0.787 -12.238  1.00 91.97           C  
+ATOM   1110  CD  GLU A 145      32.314   1.315 -12.684  1.00 91.97           C  
+ATOM   1111  OE1 GLU A 145      32.829   0.859 -13.730  1.00 91.97           O  
+ATOM   1112  OE2 GLU A 145      32.865   2.192 -11.982  1.00 91.97           O  
+ATOM   1113  N   TYR A 146      26.749   2.852 -11.413  1.00 93.99           N  
+ATOM   1114  CA  TYR A 146      25.843   3.871 -10.893  1.00 93.99           C  
+ATOM   1115  C   TYR A 146      24.404   3.579 -11.299  1.00 93.99           C  
+ATOM   1116  CB  TYR A 146      26.255   5.260 -11.389  1.00 93.99           C  
+ATOM   1117  O   TYR A 146      24.145   2.652 -12.069  1.00 93.99           O  
+ATOM   1118  CG  TYR A 146      26.300   5.379 -12.893  1.00 93.99           C  
+ATOM   1119  CD1 TYR A 146      27.418   4.962 -13.611  1.00 93.99           C  
+ATOM   1120  CD2 TYR A 146      25.225   5.908 -13.599  1.00 93.99           C  
+ATOM   1121  CE1 TYR A 146      27.465   5.071 -14.997  1.00 93.99           C  
+ATOM   1122  CE2 TYR A 146      25.260   6.022 -14.985  1.00 93.99           C  
+ATOM   1123  OH  TYR A 146      26.423   5.711 -17.046  1.00 93.99           O  
+ATOM   1124  CZ  TYR A 146      26.382   5.601 -15.674  1.00 93.99           C  
+ATOM   1125  N   GLN A 147      23.447   4.358 -10.812  1.00 92.67           N  
+ATOM   1126  CA  GLN A 147      22.030   4.096 -11.043  1.00 92.67           C  
+ATOM   1127  C   GLN A 147      21.551   4.759 -12.331  1.00 92.67           C  
+ATOM   1128  CB  GLN A 147      21.194   4.585  -9.859  1.00 92.67           C  
+ATOM   1129  O   GLN A 147      21.387   5.980 -12.384  1.00 92.67           O  
+ATOM   1130  CG  GLN A 147      21.590   3.962  -8.527  1.00 92.67           C  
+ATOM   1131  CD  GLN A 147      21.407   2.456  -8.505  1.00 92.67           C  
+ATOM   1132  NE2 GLN A 147      22.307   1.759  -7.821  1.00 92.67           N  
+ATOM   1133  OE1 GLN A 147      20.463   1.924  -9.099  1.00 92.67           O  
+ATOM   1134  N   LEU A 148      21.269   3.950 -13.394  1.00 94.62           N  
+ATOM   1135  CA  LEU A 148      20.803   4.438 -14.687  1.00 94.62           C  
+ATOM   1136  C   LEU A 148      19.549   3.692 -15.130  1.00 94.62           C  
+ATOM   1137  CB  LEU A 148      21.901   4.288 -15.744  1.00 94.62           C  
+ATOM   1138  O   LEU A 148      19.461   2.472 -14.977  1.00 94.62           O  
+ATOM   1139  CG  LEU A 148      21.584   4.843 -17.134  1.00 94.62           C  
+ATOM   1140  CD1 LEU A 148      21.452   6.361 -17.081  1.00 94.62           C  
+ATOM   1141  CD2 LEU A 148      22.659   4.429 -18.133  1.00 94.62           C  
+ATOM   1142  N   ASN A 149      18.651   4.423 -15.716  1.00 92.66           N  
+ATOM   1143  CA  ASN A 149      17.419   3.836 -16.232  1.00 92.66           C  
+ATOM   1144  C   ASN A 149      17.696   2.872 -17.382  1.00 92.66           C  
+ATOM   1145  CB  ASN A 149      16.449   4.931 -16.680  1.00 92.66           C  
+ATOM   1146  O   ASN A 149      18.503   3.168 -18.265  1.00 92.66           O  
+ATOM   1147  CG  ASN A 149      15.058   4.399 -16.966  1.00 92.66           C  
+ATOM   1148  ND2 ASN A 149      14.075   5.291 -16.988  1.00 92.66           N  
+ATOM   1149  OD1 ASN A 149      14.870   3.196 -17.165  1.00 92.66           O  
+ATOM   1150  N   ASP A 150      16.948   1.762 -17.420  1.00 91.98           N  
+ATOM   1151  CA  ASP A 150      17.161   0.731 -18.431  1.00 91.98           C  
+ATOM   1152  C   ASP A 150      16.833   1.255 -19.827  1.00 91.98           C  
+ATOM   1153  CB  ASP A 150      16.316  -0.506 -18.122  1.00 91.98           C  
+ATOM   1154  O   ASP A 150      17.402   0.793 -20.819  1.00 91.98           O  
+ATOM   1155  CG  ASP A 150      16.814  -1.277 -16.912  1.00 91.98           C  
+ATOM   1156  OD1 ASP A 150      18.003  -1.144 -16.551  1.00 91.98           O  
+ATOM   1157  OD2 ASP A 150      16.011  -2.028 -16.317  1.00 91.98           O  
+ATOM   1158  N   SER A 151      15.953   2.263 -19.917  1.00 94.33           N  
+ATOM   1159  CA  SER A 151      15.461   2.756 -21.200  1.00 94.33           C  
+ATOM   1160  C   SER A 151      16.284   3.943 -21.688  1.00 94.33           C  
+ATOM   1161  CB  SER A 151      13.989   3.154 -21.093  1.00 94.33           C  
+ATOM   1162  O   SER A 151      15.909   4.608 -22.656  1.00 94.33           O  
+ATOM   1163  OG  SER A 151      13.185   2.030 -20.780  1.00 94.33           O  
+ATOM   1164  N   ALA A 152      17.373   4.246 -20.964  1.00 95.48           N  
+ATOM   1165  CA  ALA A 152      18.185   5.417 -21.284  1.00 95.48           C  
+ATOM   1166  C   ALA A 152      18.633   5.393 -22.743  1.00 95.48           C  
+ATOM   1167  CB  ALA A 152      19.398   5.492 -20.360  1.00 95.48           C  
+ATOM   1168  O   ALA A 152      18.426   6.361 -23.478  1.00 95.48           O  
+ATOM   1169  N   ALA A 153      19.146   4.258 -23.146  1.00 95.29           N  
+ATOM   1170  CA  ALA A 153      19.672   4.132 -24.503  1.00 95.29           C  
+ATOM   1171  C   ALA A 153      18.558   4.262 -25.537  1.00 95.29           C  
+ATOM   1172  CB  ALA A 153      20.397   2.799 -24.671  1.00 95.29           C  
+ATOM   1173  O   ALA A 153      18.733   4.915 -26.569  1.00 95.29           O  
+ATOM   1174  N   TYR A 154      17.451   3.760 -25.288  1.00 96.30           N  
+ATOM   1175  CA  TYR A 154      16.297   3.801 -26.179  1.00 96.30           C  
+ATOM   1176  C   TYR A 154      15.899   5.239 -26.489  1.00 96.30           C  
+ATOM   1177  CB  TYR A 154      15.112   3.053 -25.561  1.00 96.30           C  
+ATOM   1178  O   TYR A 154      15.749   5.611 -27.655  1.00 96.30           O  
+ATOM   1179  CG  TYR A 154      13.822   3.222 -26.325  1.00 96.30           C  
+ATOM   1180  CD1 TYR A 154      12.884   4.180 -25.944  1.00 96.30           C  
+ATOM   1181  CD2 TYR A 154      13.536   2.425 -27.428  1.00 96.30           C  
+ATOM   1182  CE1 TYR A 154      11.693   4.338 -26.644  1.00 96.30           C  
+ATOM   1183  CE2 TYR A 154      12.348   2.575 -28.135  1.00 96.30           C  
+ATOM   1184  OH  TYR A 154      10.256   3.685 -28.433  1.00 96.30           O  
+ATOM   1185  CZ  TYR A 154      11.434   3.533 -27.737  1.00 96.30           C  
+ATOM   1186  N   TYR A 155      15.780   6.068 -25.467  1.00 96.67           N  
+ATOM   1187  CA  TYR A 155      15.339   7.447 -25.643  1.00 96.67           C  
+ATOM   1188  C   TYR A 155      16.454   8.307 -26.225  1.00 96.67           C  
+ATOM   1189  CB  TYR A 155      14.868   8.035 -24.309  1.00 96.67           C  
+ATOM   1190  O   TYR A 155      16.222   9.100 -27.140  1.00 96.67           O  
+ATOM   1191  CG  TYR A 155      13.579   7.436 -23.803  1.00 96.67           C  
+ATOM   1192  CD1 TYR A 155      12.469   7.316 -24.636  1.00 96.67           C  
+ATOM   1193  CD2 TYR A 155      13.467   6.989 -22.490  1.00 96.67           C  
+ATOM   1194  CE1 TYR A 155      11.278   6.767 -24.174  1.00 96.67           C  
+ATOM   1195  CE2 TYR A 155      12.281   6.438 -22.017  1.00 96.67           C  
+ATOM   1196  OH  TYR A 155      10.017   5.786 -22.401  1.00 96.67           O  
+ATOM   1197  CZ  TYR A 155      11.194   6.331 -22.865  1.00 96.67           C  
+ATOM   1198  N   LEU A 156      17.665   8.084 -25.732  1.00 96.89           N  
+ATOM   1199  CA  LEU A 156      18.771   8.934 -26.160  1.00 96.89           C  
+ATOM   1200  C   LEU A 156      19.141   8.653 -27.612  1.00 96.89           C  
+ATOM   1201  CB  LEU A 156      19.990   8.720 -25.260  1.00 96.89           C  
+ATOM   1202  O   LEU A 156      19.520   9.567 -28.349  1.00 96.89           O  
+ATOM   1203  CG  LEU A 156      19.888   9.271 -23.837  1.00 96.89           C  
+ATOM   1204  CD1 LEU A 156      21.027   8.734 -22.977  1.00 96.89           C  
+ATOM   1205  CD2 LEU A 156      19.895  10.796 -23.852  1.00 96.89           C  
+ATOM   1206  N   ASN A 157      18.992   7.408 -28.068  1.00 96.75           N  
+ATOM   1207  CA  ASN A 157      19.284   7.051 -29.452  1.00 96.75           C  
+ATOM   1208  C   ASN A 157      18.261   7.650 -30.413  1.00 96.75           C  
+ATOM   1209  CB  ASN A 157      19.337   5.530 -29.614  1.00 96.75           C  
+ATOM   1210  O   ASN A 157      18.577   7.920 -31.573  1.00 96.75           O  
+ATOM   1211  CG  ASN A 157      20.598   4.925 -29.028  1.00 96.75           C  
+ATOM   1212  ND2 ASN A 157      20.552   3.631 -28.734  1.00 96.75           N  
+ATOM   1213  OD1 ASN A 157      21.603   5.614 -28.840  1.00 96.75           O  
+ATOM   1214  N   ASP A 158      17.075   7.896 -29.980  1.00 95.39           N  
+ATOM   1215  CA  ASP A 158      16.005   8.414 -30.827  1.00 95.39           C  
+ATOM   1216  C   ASP A 158      15.603   9.825 -30.403  1.00 95.39           C  
+ATOM   1217  CB  ASP A 158      14.789   7.485 -30.785  1.00 95.39           C  
+ATOM   1218  O   ASP A 158      14.421  10.174 -30.432  1.00 95.39           O  
+ATOM   1219  CG  ASP A 158      14.989   6.210 -31.584  1.00 95.39           C  
+ATOM   1220  OD1 ASP A 158      15.782   6.213 -32.550  1.00 95.39           O  
+ATOM   1221  OD2 ASP A 158      14.345   5.193 -31.246  1.00 95.39           O  
+ATOM   1222  N   LEU A 159      16.546  10.606 -29.964  1.00 95.04           N  
+ATOM   1223  CA  LEU A 159      16.316  11.954 -29.455  1.00 95.04           C  
+ATOM   1224  C   LEU A 159      15.744  12.855 -30.544  1.00 95.04           C  
+ATOM   1225  CB  LEU A 159      17.617  12.551 -28.913  1.00 95.04           C  
+ATOM   1226  O   LEU A 159      14.921  13.729 -30.263  1.00 95.04           O  
+ATOM   1227  CG  LEU A 159      17.495  13.887 -28.179  1.00 95.04           C  
+ATOM   1228  CD1 LEU A 159      16.615  13.735 -26.943  1.00 95.04           C  
+ATOM   1229  CD2 LEU A 159      18.874  14.416 -27.799  1.00 95.04           C  
+ATOM   1230  N   ASP A 160      16.073  12.624 -31.745  1.00 94.11           N  
+ATOM   1231  CA  ASP A 160      15.584  13.437 -32.854  1.00 94.11           C  
+ATOM   1232  C   ASP A 160      14.066  13.333 -32.984  1.00 94.11           C  
+ATOM   1233  CB  ASP A 160      16.254  13.018 -34.164  1.00 94.11           C  
+ATOM   1234  O   ASP A 160      13.385  14.338 -33.196  1.00 94.11           O  
+ATOM   1235  CG  ASP A 160      17.721  13.404 -34.230  1.00 94.11           C  
+ATOM   1236  OD1 ASP A 160      18.113  14.417 -33.612  1.00 94.11           O  
+ATOM   1237  OD2 ASP A 160      18.492  12.690 -34.907  1.00 94.11           O  
+ATOM   1238  N   ARG A 161      13.552  12.125 -32.771  1.00 95.13           N  
+ATOM   1239  CA  ARG A 161      12.112  11.891 -32.820  1.00 95.13           C  
+ATOM   1240  C   ARG A 161      11.417  12.496 -31.606  1.00 95.13           C  
+ATOM   1241  CB  ARG A 161      11.813  10.392 -32.902  1.00 95.13           C  
+ATOM   1242  O   ARG A 161      10.394  13.171 -31.742  1.00 95.13           O  
+ATOM   1243  CG  ARG A 161      10.330  10.058 -32.889  1.00 95.13           C  
+ATOM   1244  CD  ARG A 161      10.090   8.556 -32.935  1.00 95.13           C  
+ATOM   1245  NE  ARG A 161      10.662   7.883 -31.772  1.00 95.13           N  
+ATOM   1246  NH1 ARG A 161       8.920   8.413 -30.350  1.00 95.13           N  
+ATOM   1247  NH2 ARG A 161      10.701   7.191 -29.583  1.00 95.13           N  
+ATOM   1248  CZ  ARG A 161      10.093   7.830 -30.571  1.00 95.13           C  
+ATOM   1249  N   ILE A 162      12.080  12.325 -30.506  1.00 94.02           N  
+ATOM   1250  CA  ILE A 162      11.483  12.695 -29.228  1.00 94.02           C  
+ATOM   1251  C   ILE A 162      11.515  14.213 -29.064  1.00 94.02           C  
+ATOM   1252  CB  ILE A 162      12.207  12.013 -28.046  1.00 94.02           C  
+ATOM   1253  O   ILE A 162      10.654  14.790 -28.396  1.00 94.02           O  
+ATOM   1254  CG1 ILE A 162      12.010  10.494 -28.104  1.00 94.02           C  
+ATOM   1255  CG2 ILE A 162      11.714  12.579 -26.711  1.00 94.02           C  
+ATOM   1256  CD1 ILE A 162      12.906   9.716 -27.149  1.00 94.02           C  
+ATOM   1257  N   ALA A 163      12.431  14.906 -29.690  1.00 92.90           N  
+ATOM   1258  CA  ALA A 163      12.633  16.340 -29.503  1.00 92.90           C  
+ATOM   1259  C   ALA A 163      11.763  17.147 -30.463  1.00 92.90           C  
+ATOM   1260  CB  ALA A 163      14.105  16.700 -29.694  1.00 92.90           C  
+ATOM   1261  O   ALA A 163      11.688  18.373 -30.362  1.00 92.90           O  
+ATOM   1262  N   GLN A 164      10.996  16.471 -31.341  1.00 92.61           N  
+ATOM   1263  CA  GLN A 164      10.115  17.173 -32.268  1.00 92.61           C  
+ATOM   1264  C   GLN A 164       8.959  17.841 -31.529  1.00 92.61           C  
+ATOM   1265  CB  GLN A 164       9.575  16.212 -33.328  1.00 92.61           C  
+ATOM   1266  O   GLN A 164       8.416  17.277 -30.576  1.00 92.61           O  
+ATOM   1267  CG  GLN A 164      10.641  15.681 -34.277  1.00 92.61           C  
+ATOM   1268  CD  GLN A 164      11.285  16.775 -35.108  1.00 92.61           C  
+ATOM   1269  NE2 GLN A 164      12.588  16.655 -35.339  1.00 92.61           N  
+ATOM   1270  OE1 GLN A 164      10.617  17.720 -35.539  1.00 92.61           O  
+ATOM   1271  N   PRO A 165       8.554  19.094 -31.875  1.00 88.72           N  
+ATOM   1272  CA  PRO A 165       7.478  19.823 -31.200  1.00 88.72           C  
+ATOM   1273  C   PRO A 165       6.133  19.104 -31.286  1.00 88.72           C  
+ATOM   1274  CB  PRO A 165       7.432  21.158 -31.947  1.00 88.72           C  
+ATOM   1275  O   PRO A 165       5.322  19.190 -30.360  1.00 88.72           O  
+ATOM   1276  CG  PRO A 165       8.774  21.280 -32.593  1.00 88.72           C  
+ATOM   1277  CD  PRO A 165       9.317  19.901 -32.830  1.00 88.72           C  
+ATOM   1278  N   ASN A 166       5.943  18.318 -32.361  1.00 91.37           N  
+ATOM   1279  CA  ASN A 166       4.677  17.615 -32.546  1.00 91.37           C  
+ATOM   1280  C   ASN A 166       4.775  16.159 -32.102  1.00 91.37           C  
+ATOM   1281  CB  ASN A 166       4.226  17.697 -34.006  1.00 91.37           C  
+ATOM   1282  O   ASN A 166       3.976  15.321 -32.526  1.00 91.37           O  
+ATOM   1283  CG  ASN A 166       5.240  17.104 -34.964  1.00 91.37           C  
+ATOM   1284  ND2 ASN A 166       4.801  16.803 -36.181  1.00 91.37           N  
+ATOM   1285  OD1 ASN A 166       6.408  16.916 -34.614  1.00 91.37           O  
+ATOM   1286  N   TYR A 167       5.751  15.873 -31.330  1.00 93.73           N  
+ATOM   1287  CA  TYR A 167       5.986  14.518 -30.845  1.00 93.73           C  
+ATOM   1288  C   TYR A 167       4.834  14.045 -29.968  1.00 93.73           C  
+ATOM   1289  CB  TYR A 167       7.301  14.447 -30.063  1.00 93.73           C  
+ATOM   1290  O   TYR A 167       4.427  14.743 -29.037  1.00 93.73           O  
+ATOM   1291  CG  TYR A 167       7.476  13.165 -29.285  1.00 93.73           C  
+ATOM   1292  CD1 TYR A 167       7.538  13.175 -27.893  1.00 93.73           C  
+ATOM   1293  CD2 TYR A 167       7.582  11.943 -29.940  1.00 93.73           C  
+ATOM   1294  CE1 TYR A 167       7.701  11.996 -27.173  1.00 93.73           C  
+ATOM   1295  CE2 TYR A 167       7.746  10.758 -29.229  1.00 93.73           C  
+ATOM   1296  OH  TYR A 167       7.966   9.625 -27.140  1.00 93.73           O  
+ATOM   1297  CZ  TYR A 167       7.804  10.795 -27.848  1.00 93.73           C  
+ATOM   1298  N   ILE A 168       4.341  12.887 -30.334  1.00 94.51           N  
+ATOM   1299  CA  ILE A 168       3.381  12.146 -29.522  1.00 94.51           C  
+ATOM   1300  C   ILE A 168       3.938  10.761 -29.200  1.00 94.51           C  
+ATOM   1301  CB  ILE A 168       2.015  12.022 -30.235  1.00 94.51           C  
+ATOM   1302  O   ILE A 168       4.253   9.986 -30.106  1.00 94.51           O  
+ATOM   1303  CG1 ILE A 168       1.441  13.412 -30.534  1.00 94.51           C  
+ATOM   1304  CG2 ILE A 168       1.039  11.197 -29.392  1.00 94.51           C  
+ATOM   1305  CD1 ILE A 168       0.183  13.391 -31.391  1.00 94.51           C  
+ATOM   1306  N   PRO A 169       4.119  10.513 -27.874  1.00 96.66           N  
+ATOM   1307  CA  PRO A 169       4.684   9.214 -27.503  1.00 96.66           C  
+ATOM   1308  C   PRO A 169       3.921   8.042 -28.115  1.00 96.66           C  
+ATOM   1309  CB  PRO A 169       4.569   9.203 -25.976  1.00 96.66           C  
+ATOM   1310  O   PRO A 169       2.690   8.069 -28.181  1.00 96.66           O  
+ATOM   1311  CG  PRO A 169       4.573  10.645 -25.583  1.00 96.66           C  
+ATOM   1312  CD  PRO A 169       3.841  11.428 -26.634  1.00 96.66           C  
+ATOM   1313  N   THR A 170       4.745   7.072 -28.527  1.00 95.79           N  
+ATOM   1314  CA  THR A 170       4.159   5.829 -29.017  1.00 95.79           C  
+ATOM   1315  C   THR A 170       3.836   4.890 -27.859  1.00 95.79           C  
+ATOM   1316  CB  THR A 170       5.102   5.120 -30.008  1.00 95.79           C  
+ATOM   1317  O   THR A 170       4.211   5.155 -26.715  1.00 95.79           O  
+ATOM   1318  CG2 THR A 170       5.514   6.056 -31.140  1.00 95.79           C  
+ATOM   1319  OG1 THR A 170       6.275   4.683 -29.313  1.00 95.79           O  
+ATOM   1320  N   GLN A 171       3.143   3.899 -28.134  1.00 94.52           N  
+ATOM   1321  CA  GLN A 171       2.849   2.915 -27.097  1.00 94.52           C  
+ATOM   1322  C   GLN A 171       4.130   2.297 -26.546  1.00 94.52           C  
+ATOM   1323  CB  GLN A 171       1.929   1.821 -27.640  1.00 94.52           C  
+ATOM   1324  O   GLN A 171       4.215   1.989 -25.355  1.00 94.52           O  
+ATOM   1325  CG  GLN A 171       0.512   2.297 -27.932  1.00 94.52           C  
+ATOM   1326  CD  GLN A 171      -0.452   1.153 -28.185  1.00 94.52           C  
+ATOM   1327  NE2 GLN A 171      -1.307   1.309 -29.190  1.00 94.52           N  
+ATOM   1328  OE1 GLN A 171      -0.427   0.136 -27.484  1.00 94.52           O  
+ATOM   1329  N   GLN A 172       5.113   2.192 -27.475  1.00 95.14           N  
+ATOM   1330  CA  GLN A 172       6.410   1.675 -27.049  1.00 95.14           C  
+ATOM   1331  C   GLN A 172       7.113   2.656 -26.116  1.00 95.14           C  
+ATOM   1332  CB  GLN A 172       7.294   1.378 -28.261  1.00 95.14           C  
+ATOM   1333  O   GLN A 172       7.748   2.248 -25.141  1.00 95.14           O  
+ATOM   1334  CG  GLN A 172       8.567   0.615 -27.921  1.00 95.14           C  
+ATOM   1335  CD  GLN A 172       8.292  -0.717 -27.249  1.00 95.14           C  
+ATOM   1336  NE2 GLN A 172       9.272  -1.221 -26.508  1.00 95.14           N  
+ATOM   1337  OE1 GLN A 172       7.206  -1.288 -27.394  1.00 95.14           O  
+ATOM   1338  N   ASP A 173       6.922   3.942 -26.390  1.00 96.37           N  
+ATOM   1339  CA  ASP A 173       7.466   4.963 -25.500  1.00 96.37           C  
+ATOM   1340  C   ASP A 173       6.820   4.888 -24.118  1.00 96.37           C  
+ATOM   1341  CB  ASP A 173       7.268   6.357 -26.098  1.00 96.37           C  
+ATOM   1342  O   ASP A 173       7.510   4.965 -23.100  1.00 96.37           O  
+ATOM   1343  CG  ASP A 173       8.055   6.570 -27.379  1.00 96.37           C  
+ATOM   1344  OD1 ASP A 173       9.093   5.902 -27.576  1.00 96.37           O  
+ATOM   1345  OD2 ASP A 173       7.636   7.417 -28.198  1.00 96.37           O  
+ATOM   1346  N   VAL A 174       5.572   4.662 -24.222  1.00 95.82           N  
+ATOM   1347  CA  VAL A 174       4.803   4.602 -22.983  1.00 95.82           C  
+ATOM   1348  C   VAL A 174       5.250   3.398 -22.156  1.00 95.82           C  
+ATOM   1349  CB  VAL A 174       3.285   4.524 -23.260  1.00 95.82           C  
+ATOM   1350  O   VAL A 174       5.484   3.518 -20.951  1.00 95.82           O  
+ATOM   1351  CG1 VAL A 174       2.510   4.296 -21.963  1.00 95.82           C  
+ATOM   1352  CG2 VAL A 174       2.805   5.795 -23.958  1.00 95.82           C  
+ATOM   1353  N   LEU A 175       5.483   2.291 -22.771  1.00 95.26           N  
+ATOM   1354  CA  LEU A 175       5.888   1.060 -22.101  1.00 95.26           C  
+ATOM   1355  C   LEU A 175       7.242   1.232 -21.421  1.00 95.26           C  
+ATOM   1356  CB  LEU A 175       5.948  -0.099 -23.100  1.00 95.26           C  
+ATOM   1357  O   LEU A 175       7.507   0.610 -20.390  1.00 95.26           O  
+ATOM   1358  CG  LEU A 175       4.606  -0.692 -23.532  1.00 95.26           C  
+ATOM   1359  CD1 LEU A 175       4.815  -1.731 -24.628  1.00 95.26           C  
+ATOM   1360  CD2 LEU A 175       3.883  -1.305 -22.337  1.00 95.26           C  
+ATOM   1361  N   ARG A 176       8.044   2.127 -21.874  1.00 95.27           N  
+ATOM   1362  CA  ARG A 176       9.426   2.239 -21.421  1.00 95.27           C  
+ATOM   1363  C   ARG A 176       9.577   3.355 -20.392  1.00 95.27           C  
+ATOM   1364  CB  ARG A 176      10.362   2.488 -22.605  1.00 95.27           C  
+ATOM   1365  O   ARG A 176      10.666   3.570 -19.857  1.00 95.27           O  
+ATOM   1366  CG  ARG A 176      10.536   1.285 -23.517  1.00 95.27           C  
+ATOM   1367  CD  ARG A 176      11.709   1.464 -24.471  1.00 95.27           C  
+ATOM   1368  NE  ARG A 176      11.946   0.263 -25.266  1.00 95.27           N  
+ATOM   1369  NH1 ARG A 176      13.910  -0.310 -24.195  1.00 95.27           N  
+ATOM   1370  NH2 ARG A 176      13.103  -1.618 -25.895  1.00 95.27           N  
+ATOM   1371  CZ  ARG A 176      12.986  -0.552 -25.117  1.00 95.27           C  
+ATOM   1372  N   THR A 177       8.454   4.021 -20.246  1.00 95.02           N  
+ATOM   1373  CA  THR A 177       8.505   5.062 -19.225  1.00 95.02           C  
+ATOM   1374  C   THR A 177       8.649   4.450 -17.835  1.00 95.02           C  
+ATOM   1375  CB  THR A 177       7.248   5.951 -19.270  1.00 95.02           C  
+ATOM   1376  O   THR A 177       8.162   3.346 -17.584  1.00 95.02           O  
+ATOM   1377  CG2 THR A 177       7.121   6.657 -20.616  1.00 95.02           C  
+ATOM   1378  OG1 THR A 177       6.087   5.138 -19.058  1.00 95.02           O  
+ATOM   1379  N   ARG A 178       9.350   5.241 -17.018  1.00 92.37           N  
+ATOM   1380  CA  ARG A 178       9.544   4.806 -15.639  1.00 92.37           C  
+ATOM   1381  C   ARG A 178       9.064   5.869 -14.657  1.00 92.37           C  
+ATOM   1382  CB  ARG A 178      11.016   4.479 -15.379  1.00 92.37           C  
+ATOM   1383  O   ARG A 178       9.551   7.001 -14.672  1.00 92.37           O  
+ATOM   1384  CG  ARG A 178      11.306   4.033 -13.955  1.00 92.37           C  
+ATOM   1385  CD  ARG A 178      10.696   2.671 -13.655  1.00 92.37           C  
+ATOM   1386  NE  ARG A 178      10.955   2.256 -12.279  1.00 92.37           N  
+ATOM   1387  NH1 ARG A 178       9.508   0.456 -12.332  1.00 92.37           N  
+ATOM   1388  NH2 ARG A 178      10.692   0.925 -10.426  1.00 92.37           N  
+ATOM   1389  CZ  ARG A 178      10.384   1.213 -11.682  1.00 92.37           C  
+ATOM   1390  N   VAL A 179       8.105   5.400 -13.835  1.00 90.10           N  
+ATOM   1391  CA  VAL A 179       7.607   6.122 -12.669  1.00 90.10           C  
+ATOM   1392  C   VAL A 179       7.517   5.175 -11.474  1.00 90.10           C  
+ATOM   1393  CB  VAL A 179       6.229   6.764 -12.945  1.00 90.10           C  
+ATOM   1394  O   VAL A 179       6.860   4.134 -11.547  1.00 90.10           O  
+ATOM   1395  CG1 VAL A 179       5.760   7.576 -11.739  1.00 90.10           C  
+ATOM   1396  CG2 VAL A 179       6.290   7.642 -14.194  1.00 90.10           C  
+ATOM   1397  N   LYS A 180       8.178   5.560 -10.384  1.00 87.22           N  
+ATOM   1398  CA  LYS A 180       8.114   4.691  -9.213  1.00 87.22           C  
+ATOM   1399  C   LYS A 180       6.668   4.447  -8.788  1.00 87.22           C  
+ATOM   1400  CB  LYS A 180       8.906   5.294  -8.052  1.00 87.22           C  
+ATOM   1401  O   LYS A 180       5.883   5.389  -8.669  1.00 87.22           O  
+ATOM   1402  CG  LYS A 180      10.383   5.499  -8.351  1.00 87.22           C  
+ATOM   1403  CD  LYS A 180      11.099   6.183  -7.193  1.00 87.22           C  
+ATOM   1404  CE  LYS A 180      12.554   6.479  -7.530  1.00 87.22           C  
+ATOM   1405  NZ  LYS A 180      13.258   7.154  -6.399  1.00 87.22           N  
+ATOM   1406  N   THR A 181       6.369   3.190  -8.677  1.00 85.88           N  
+ATOM   1407  CA  THR A 181       5.013   2.855  -8.259  1.00 85.88           C  
+ATOM   1408  C   THR A 181       4.844   3.062  -6.756  1.00 85.88           C  
+ATOM   1409  CB  THR A 181       4.658   1.401  -8.623  1.00 85.88           C  
+ATOM   1410  O   THR A 181       5.612   2.520  -5.959  1.00 85.88           O  
+ATOM   1411  CG2 THR A 181       3.197   1.097  -8.309  1.00 85.88           C  
+ATOM   1412  OG1 THR A 181       4.888   1.195 -10.022  1.00 85.88           O  
+ATOM   1413  N   THR A 182       3.889   3.933  -6.413  1.00 82.49           N  
+ATOM   1414  CA  THR A 182       3.558   4.144  -5.008  1.00 82.49           C  
+ATOM   1415  C   THR A 182       2.197   3.539  -4.676  1.00 82.49           C  
+ATOM   1416  CB  THR A 182       3.558   5.642  -4.653  1.00 82.49           C  
+ATOM   1417  O   THR A 182       1.249   3.665  -5.454  1.00 82.49           O  
+ATOM   1418  CG2 THR A 182       4.928   6.265  -4.895  1.00 82.49           C  
+ATOM   1419  OG1 THR A 182       2.587   6.319  -5.461  1.00 82.49           O  
+ATOM   1420  N   GLY A 183       2.128   2.711  -3.644  1.00 81.88           N  
+ATOM   1421  CA  GLY A 183       0.877   2.098  -3.227  1.00 81.88           C  
+ATOM   1422  C   GLY A 183       0.489   0.899  -4.072  1.00 81.88           C  
+ATOM   1423  O   GLY A 183       1.356   0.186  -4.582  1.00 81.88           O  
+ATOM   1424  N   ILE A 184      -0.801   0.609  -4.164  1.00 85.20           N  
+ATOM   1425  CA  ILE A 184      -1.353  -0.536  -4.880  1.00 85.20           C  
+ATOM   1426  C   ILE A 184      -2.232  -0.050  -6.030  1.00 85.20           C  
+ATOM   1427  CB  ILE A 184      -2.162  -1.456  -3.939  1.00 85.20           C  
+ATOM   1428  O   ILE A 184      -3.173   0.719  -5.818  1.00 85.20           O  
+ATOM   1429  CG1 ILE A 184      -1.294  -1.907  -2.758  1.00 85.20           C  
+ATOM   1430  CG2 ILE A 184      -2.715  -2.661  -4.705  1.00 85.20           C  
+ATOM   1431  CD1 ILE A 184      -2.079  -2.556  -1.626  1.00 85.20           C  
+ATOM   1432  N   VAL A 185      -1.816  -0.440  -7.225  1.00 87.18           N  
+ATOM   1433  CA  VAL A 185      -2.606  -0.092  -8.402  1.00 87.18           C  
+ATOM   1434  C   VAL A 185      -3.352  -1.325  -8.907  1.00 87.18           C  
+ATOM   1435  CB  VAL A 185      -1.723   0.494  -9.526  1.00 87.18           C  
+ATOM   1436  O   VAL A 185      -2.750  -2.382  -9.111  1.00 87.18           O  
+ATOM   1437  CG1 VAL A 185      -2.565   0.828 -10.756  1.00 87.18           C  
+ATOM   1438  CG2 VAL A 185      -0.982   1.734  -9.029  1.00 87.18           C  
+ATOM   1439  N   GLU A 186      -4.663  -1.132  -9.140  1.00 89.44           N  
+ATOM   1440  CA  GLU A 186      -5.524  -2.219  -9.595  1.00 89.44           C  
+ATOM   1441  C   GLU A 186      -5.943  -2.020 -11.049  1.00 89.44           C  
+ATOM   1442  CB  GLU A 186      -6.761  -2.335  -8.702  1.00 89.44           C  
+ATOM   1443  O   GLU A 186      -6.390  -0.935 -11.429  1.00 89.44           O  
+ATOM   1444  CG  GLU A 186      -7.705  -3.460  -9.102  1.00 89.44           C  
+ATOM   1445  CD  GLU A 186      -8.949  -3.538  -8.231  1.00 89.44           C  
+ATOM   1446  OE1 GLU A 186      -9.895  -4.276  -8.588  1.00 89.44           O  
+ATOM   1447  OE2 GLU A 186      -8.978  -2.854  -7.183  1.00 89.44           O  
+ATOM   1448  N   THR A 187      -5.774  -3.069 -11.862  1.00 89.68           N  
+ATOM   1449  CA  THR A 187      -6.175  -3.044 -13.264  1.00 89.68           C  
+ATOM   1450  C   THR A 187      -7.088  -4.223 -13.587  1.00 89.68           C  
+ATOM   1451  CB  THR A 187      -4.950  -3.071 -14.197  1.00 89.68           C  
+ATOM   1452  O   THR A 187      -6.810  -5.357 -13.192  1.00 89.68           O  
+ATOM   1453  CG2 THR A 187      -5.368  -2.952 -15.658  1.00 89.68           C  
+ATOM   1454  OG1 THR A 187      -4.083  -1.978 -13.869  1.00 89.68           O  
+ATOM   1455  N   HIS A 188      -8.148  -3.916 -14.380  1.00 89.94           N  
+ATOM   1456  CA  HIS A 188      -9.144  -4.921 -14.737  1.00 89.94           C  
+ATOM   1457  C   HIS A 188      -9.146  -5.184 -16.239  1.00 89.94           C  
+ATOM   1458  CB  HIS A 188     -10.536  -4.482 -14.279  1.00 89.94           C  
+ATOM   1459  O   HIS A 188      -9.014  -4.254 -17.037  1.00 89.94           O  
+ATOM   1460  CG  HIS A 188     -10.629  -4.218 -12.810  1.00 89.94           C  
+ATOM   1461  CD2 HIS A 188      -9.703  -3.779 -11.925  1.00 89.94           C  
+ATOM   1462  ND1 HIS A 188     -11.788  -4.412 -12.091  1.00 89.94           N  
+ATOM   1463  CE1 HIS A 188     -11.571  -4.101 -10.824  1.00 89.94           C  
+ATOM   1464  NE2 HIS A 188     -10.313  -3.714 -10.697  1.00 89.94           N  
+ATOM   1465  N   PHE A 189      -9.233  -6.437 -16.576  1.00 89.89           N  
+ATOM   1466  CA  PHE A 189      -9.399  -6.783 -17.983  1.00 89.89           C  
+ATOM   1467  C   PHE A 189     -10.026  -8.164 -18.130  1.00 89.89           C  
+ATOM   1468  CB  PHE A 189      -8.052  -6.737 -18.711  1.00 89.89           C  
+ATOM   1469  O   PHE A 189     -10.051  -8.945 -17.177  1.00 89.89           O  
+ATOM   1470  CG  PHE A 189      -7.041  -7.716 -18.179  1.00 89.89           C  
+ATOM   1471  CD1 PHE A 189      -6.228  -7.381 -17.103  1.00 89.89           C  
+ATOM   1472  CD2 PHE A 189      -6.903  -8.973 -18.754  1.00 89.89           C  
+ATOM   1473  CE1 PHE A 189      -5.291  -8.285 -16.608  1.00 89.89           C  
+ATOM   1474  CE2 PHE A 189      -5.969  -9.881 -18.265  1.00 89.89           C  
+ATOM   1475  CZ  PHE A 189      -5.163  -9.535 -17.192  1.00 89.89           C  
+ATOM   1476  N   THR A 190     -10.659  -8.349 -19.279  1.00 86.40           N  
+ATOM   1477  CA  THR A 190     -11.311  -9.619 -19.578  1.00 86.40           C  
+ATOM   1478  C   THR A 190     -10.545 -10.380 -20.656  1.00 86.40           C  
+ATOM   1479  CB  THR A 190     -12.767  -9.407 -20.032  1.00 86.40           C  
+ATOM   1480  O   THR A 190     -10.147  -9.800 -21.669  1.00 86.40           O  
+ATOM   1481  CG2 THR A 190     -13.475 -10.740 -20.252  1.00 86.40           C  
+ATOM   1482  OG1 THR A 190     -13.471  -8.664 -19.029  1.00 86.40           O  
+ATOM   1483  N   PHE A 191     -10.350 -11.660 -20.351  1.00 84.74           N  
+ATOM   1484  CA  PHE A 191      -9.653 -12.551 -21.271  1.00 84.74           C  
+ATOM   1485  C   PHE A 191     -10.217 -13.964 -21.189  1.00 84.74           C  
+ATOM   1486  CB  PHE A 191      -8.151 -12.567 -20.971  1.00 84.74           C  
+ATOM   1487  O   PHE A 191     -10.315 -14.537 -20.102  1.00 84.74           O  
+ATOM   1488  CG  PHE A 191      -7.352 -13.427 -21.913  1.00 84.74           C  
+ATOM   1489  CD1 PHE A 191      -6.673 -14.546 -21.449  1.00 84.74           C  
+ATOM   1490  CD2 PHE A 191      -7.282 -13.115 -23.265  1.00 84.74           C  
+ATOM   1491  CE1 PHE A 191      -5.933 -15.343 -22.319  1.00 84.74           C  
+ATOM   1492  CE2 PHE A 191      -6.545 -13.907 -24.141  1.00 84.74           C  
+ATOM   1493  CZ  PHE A 191      -5.870 -15.020 -23.666  1.00 84.74           C  
+ATOM   1494  N   LYS A 192     -10.614 -14.558 -22.360  1.00 82.75           N  
+ATOM   1495  CA  LYS A 192     -11.199 -15.893 -22.456  1.00 82.75           C  
+ATOM   1496  C   LYS A 192     -12.392 -16.039 -21.516  1.00 82.75           C  
+ATOM   1497  CB  LYS A 192     -10.151 -16.962 -22.142  1.00 82.75           C  
+ATOM   1498  O   LYS A 192     -12.492 -17.022 -20.780  1.00 82.75           O  
+ATOM   1499  CG  LYS A 192      -9.047 -17.071 -23.184  1.00 82.75           C  
+ATOM   1500  CD  LYS A 192      -8.181 -18.303 -22.954  1.00 82.75           C  
+ATOM   1501  CE  LYS A 192      -7.196 -18.516 -24.095  1.00 82.75           C  
+ATOM   1502  NZ  LYS A 192      -6.371 -19.744 -23.893  1.00 82.75           N  
+ATOM   1503  N   ASP A 193     -13.251 -14.938 -21.363  1.00 79.97           N  
+ATOM   1504  CA  ASP A 193     -14.501 -14.937 -20.609  1.00 79.97           C  
+ATOM   1505  C   ASP A 193     -14.236 -14.922 -19.106  1.00 79.97           C  
+ATOM   1506  CB  ASP A 193     -15.353 -16.153 -20.981  1.00 79.97           C  
+ATOM   1507  O   ASP A 193     -15.123 -15.238 -18.310  1.00 79.97           O  
+ATOM   1508  CG  ASP A 193     -15.859 -16.107 -22.412  1.00 79.97           C  
+ATOM   1509  OD1 ASP A 193     -16.191 -15.008 -22.907  1.00 79.97           O  
+ATOM   1510  OD2 ASP A 193     -15.929 -17.180 -23.050  1.00 79.97           O  
+ATOM   1511  N   LEU A 194     -12.972 -14.795 -18.796  1.00 83.45           N  
+ATOM   1512  CA  LEU A 194     -12.629 -14.636 -17.387  1.00 83.45           C  
+ATOM   1513  C   LEU A 194     -12.298 -13.182 -17.068  1.00 83.45           C  
+ATOM   1514  CB  LEU A 194     -11.445 -15.534 -17.019  1.00 83.45           C  
+ATOM   1515  O   LEU A 194     -11.684 -12.488 -17.882  1.00 83.45           O  
+ATOM   1516  CG  LEU A 194     -11.683 -17.042 -17.107  1.00 83.45           C  
+ATOM   1517  CD1 LEU A 194     -10.369 -17.797 -16.942  1.00 83.45           C  
+ATOM   1518  CD2 LEU A 194     -12.697 -17.486 -16.058  1.00 83.45           C  
+ATOM   1519  N   HIS A 195     -12.745 -12.791 -15.966  1.00 87.50           N  
+ATOM   1520  CA  HIS A 195     -12.457 -11.441 -15.495  1.00 87.50           C  
+ATOM   1521  C   HIS A 195     -11.231 -11.423 -14.589  1.00 87.50           C  
+ATOM   1522  CB  HIS A 195     -13.665 -10.862 -14.756  1.00 87.50           C  
+ATOM   1523  O   HIS A 195     -11.201 -12.108 -13.564  1.00 87.50           O  
+ATOM   1524  CG  HIS A 195     -14.864 -10.667 -15.627  1.00 87.50           C  
+ATOM   1525  CD2 HIS A 195     -16.006 -11.385 -15.742  1.00 87.50           C  
+ATOM   1526  ND1 HIS A 195     -14.972  -9.624 -16.522  1.00 87.50           N  
+ATOM   1527  CE1 HIS A 195     -16.133  -9.709 -17.150  1.00 87.50           C  
+ATOM   1528  NE2 HIS A 195     -16.780 -10.769 -16.695  1.00 87.50           N  
+ATOM   1529  N   PHE A 196     -10.230 -10.647 -15.010  1.00 90.10           N  
+ATOM   1530  CA  PHE A 196      -8.979 -10.586 -14.264  1.00 90.10           C  
+ATOM   1531  C   PHE A 196      -8.878  -9.282 -13.481  1.00 90.10           C  
+ATOM   1532  CB  PHE A 196      -7.781 -10.724 -15.209  1.00 90.10           C  
+ATOM   1533  O   PHE A 196      -9.244  -8.219 -13.986  1.00 90.10           O  
+ATOM   1534  CG  PHE A 196      -7.603 -12.112 -15.764  1.00 90.10           C  
+ATOM   1535  CD1 PHE A 196      -6.714 -13.003 -15.174  1.00 90.10           C  
+ATOM   1536  CD2 PHE A 196      -8.325 -12.526 -16.876  1.00 90.10           C  
+ATOM   1537  CE1 PHE A 196      -6.548 -14.288 -15.686  1.00 90.10           C  
+ATOM   1538  CE2 PHE A 196      -8.164 -13.808 -17.392  1.00 90.10           C  
+ATOM   1539  CZ  PHE A 196      -7.274 -14.687 -16.797  1.00 90.10           C  
+ATOM   1540  N   LYS A 197      -8.479  -9.477 -12.244  1.00 90.98           N  
+ATOM   1541  CA  LYS A 197      -8.054  -8.360 -11.407  1.00 90.98           C  
+ATOM   1542  C   LYS A 197      -6.564  -8.447 -11.087  1.00 90.98           C  
+ATOM   1543  CB  LYS A 197      -8.866  -8.321 -10.111  1.00 90.98           C  
+ATOM   1544  O   LYS A 197      -6.133  -9.338 -10.353  1.00 90.98           O  
+ATOM   1545  CG  LYS A 197      -8.755  -7.007  -9.351  1.00 90.98           C  
+ATOM   1546  CD  LYS A 197      -9.710  -6.966  -8.164  1.00 90.98           C  
+ATOM   1547  CE  LYS A 197      -9.571  -5.669  -7.379  1.00 90.98           C  
+ATOM   1548  NZ  LYS A 197     -10.522  -5.614  -6.228  1.00 90.98           N  
+ATOM   1549  N   MET A 198      -5.863  -7.484 -11.666  1.00 92.85           N  
+ATOM   1550  CA  MET A 198      -4.411  -7.507 -11.506  1.00 92.85           C  
+ATOM   1551  C   MET A 198      -3.949  -6.392 -10.575  1.00 92.85           C  
+ATOM   1552  CB  MET A 198      -3.718  -7.376 -12.863  1.00 92.85           C  
+ATOM   1553  O   MET A 198      -4.340  -5.235 -10.742  1.00 92.85           O  
+ATOM   1554  CG  MET A 198      -2.205  -7.498 -12.793  1.00 92.85           C  
+ATOM   1555  SD  MET A 198      -1.414  -7.411 -14.447  1.00 92.85           S  
+ATOM   1556  CE  MET A 198      -1.956  -8.996 -15.144  1.00 92.85           C  
+ATOM   1557  N   PHE A 199      -3.158  -6.799  -9.582  1.00 93.42           N  
+ATOM   1558  CA  PHE A 199      -2.665  -5.851  -8.590  1.00 93.42           C  
+ATOM   1559  C   PHE A 199      -1.172  -5.605  -8.773  1.00 93.42           C  
+ATOM   1560  CB  PHE A 199      -2.943  -6.360  -7.173  1.00 93.42           C  
+ATOM   1561  O   PHE A 199      -0.371  -6.541  -8.714  1.00 93.42           O  
+ATOM   1562  CG  PHE A 199      -4.405  -6.557  -6.875  1.00 93.42           C  
+ATOM   1563  CD1 PHE A 199      -5.166  -5.524  -6.342  1.00 93.42           C  
+ATOM   1564  CD2 PHE A 199      -5.019  -7.777  -7.128  1.00 93.42           C  
+ATOM   1565  CE1 PHE A 199      -6.520  -5.704  -6.066  1.00 93.42           C  
+ATOM   1566  CE2 PHE A 199      -6.371  -7.964  -6.855  1.00 93.42           C  
+ATOM   1567  CZ  PHE A 199      -7.119  -6.927  -6.323  1.00 93.42           C  
+ATOM   1568  N   ASP A 200      -0.862  -4.326  -9.042  1.00 94.80           N  
+ATOM   1569  CA  ASP A 200       0.521  -3.872  -9.161  1.00 94.80           C  
+ATOM   1570  C   ASP A 200       0.968  -3.137  -7.900  1.00 94.80           C  
+ATOM   1571  CB  ASP A 200       0.685  -2.967 -10.384  1.00 94.80           C  
+ATOM   1572  O   ASP A 200       0.431  -2.078  -7.568  1.00 94.80           O  
+ATOM   1573  CG  ASP A 200       2.126  -2.553 -10.626  1.00 94.80           C  
+ATOM   1574  OD1 ASP A 200       3.048  -3.227 -10.117  1.00 94.80           O  
+ATOM   1575  OD2 ASP A 200       2.342  -1.543 -11.329  1.00 94.80           O  
+ATOM   1576  N   VAL A 201       1.873  -3.715  -7.161  1.00 91.93           N  
+ATOM   1577  CA  VAL A 201       2.333  -3.120  -5.910  1.00 91.93           C  
+ATOM   1578  C   VAL A 201       3.747  -2.573  -6.088  1.00 91.93           C  
+ATOM   1579  CB  VAL A 201       2.297  -4.140  -4.750  1.00 91.93           C  
+ATOM   1580  O   VAL A 201       4.492  -3.031  -6.958  1.00 91.93           O  
+ATOM   1581  CG1 VAL A 201       0.860  -4.556  -4.441  1.00 91.93           C  
+ATOM   1582  CG2 VAL A 201       3.150  -5.362  -5.088  1.00 91.93           C  
+ATOM   1583  N   GLY A 202       4.047  -1.454  -5.345  1.00 90.36           N  
+ATOM   1584  CA  GLY A 202       5.391  -0.901  -5.386  1.00 90.36           C  
+ATOM   1585  C   GLY A 202       6.451  -1.873  -4.904  1.00 90.36           C  
+ATOM   1586  O   GLY A 202       6.246  -2.586  -3.920  1.00 90.36           O  
+ATOM   1587  N   GLY A 203       7.564  -1.956  -5.584  1.00 89.09           N  
+ATOM   1588  CA  GLY A 203       8.612  -2.924  -5.302  1.00 89.09           C  
+ATOM   1589  C   GLY A 203       9.737  -2.357  -4.457  1.00 89.09           C  
+ATOM   1590  O   GLY A 203      10.596  -3.100  -3.978  1.00 89.09           O  
+ATOM   1591  N   GLN A 204       9.674  -1.045  -4.195  1.00 88.52           N  
+ATOM   1592  CA  GLN A 204      10.711  -0.448  -3.360  1.00 88.52           C  
+ATOM   1593  C   GLN A 204      10.538  -0.849  -1.898  1.00 88.52           C  
+ATOM   1594  CB  GLN A 204      10.697   1.076  -3.492  1.00 88.52           C  
+ATOM   1595  O   GLN A 204       9.432  -1.181  -1.467  1.00 88.52           O  
+ATOM   1596  CG  GLN A 204      11.113   1.577  -4.869  1.00 88.52           C  
+ATOM   1597  CD  GLN A 204      11.143   3.092  -4.957  1.00 88.52           C  
+ATOM   1598  NE2 GLN A 204      11.032   3.617  -6.172  1.00 88.52           N  
+ATOM   1599  OE1 GLN A 204      11.265   3.784  -3.941  1.00 88.52           O  
+ATOM   1600  N   ARG A 205      11.646  -0.831  -1.110  1.00 83.64           N  
+ATOM   1601  CA  ARG A 205      11.621  -1.325   0.263  1.00 83.64           C  
+ATOM   1602  C   ARG A 205      10.573  -0.589   1.091  1.00 83.64           C  
+ATOM   1603  CB  ARG A 205      12.998  -1.180   0.913  1.00 83.64           C  
+ATOM   1604  O   ARG A 205       9.844  -1.206   1.870  1.00 83.64           O  
+ATOM   1605  CG  ARG A 205      13.995  -2.248   0.489  1.00 83.64           C  
+ATOM   1606  CD  ARG A 205      15.266  -2.197   1.326  1.00 83.64           C  
+ATOM   1607  NE  ARG A 205      16.192  -3.266   0.964  1.00 83.64           N  
+ATOM   1608  NH1 ARG A 205      17.800  -2.678   2.515  1.00 83.64           N  
+ATOM   1609  NH2 ARG A 205      18.139  -4.473   1.131  1.00 83.64           N  
+ATOM   1610  CZ  ARG A 205      17.375  -3.470   1.538  1.00 83.64           C  
+ATOM   1611  N   SER A 206      10.453   0.704   0.873  1.00 79.32           N  
+ATOM   1612  CA  SER A 206       9.527   1.530   1.640  1.00 79.32           C  
+ATOM   1613  C   SER A 206       8.078   1.154   1.348  1.00 79.32           C  
+ATOM   1614  CB  SER A 206       9.749   3.011   1.333  1.00 79.32           C  
+ATOM   1615  O   SER A 206       7.185   1.430   2.152  1.00 79.32           O  
+ATOM   1616  OG  SER A 206       9.559   3.273  -0.046  1.00 79.32           O  
+ATOM   1617  N   GLU A 207       7.871   0.470   0.211  1.00 85.91           N  
+ATOM   1618  CA  GLU A 207       6.511   0.175  -0.230  1.00 85.91           C  
+ATOM   1619  C   GLU A 207       6.114  -1.256   0.124  1.00 85.91           C  
+ATOM   1620  CB  GLU A 207       6.375   0.400  -1.738  1.00 85.91           C  
+ATOM   1621  O   GLU A 207       4.950  -1.636  -0.022  1.00 85.91           O  
+ATOM   1622  CG  GLU A 207       6.619   1.839  -2.169  1.00 85.91           C  
+ATOM   1623  CD  GLU A 207       5.654   2.828  -1.533  1.00 85.91           C  
+ATOM   1624  OE1 GLU A 207       6.112   3.743  -0.811  1.00 85.91           O  
+ATOM   1625  OE2 GLU A 207       4.432   2.686  -1.757  1.00 85.91           O  
+ATOM   1626  N   ARG A 208       6.914  -2.053   0.579  1.00 87.38           N  
+ATOM   1627  CA  ARG A 208       6.713  -3.491   0.728  1.00 87.38           C  
+ATOM   1628  C   ARG A 208       5.809  -3.796   1.918  1.00 87.38           C  
+ATOM   1629  CB  ARG A 208       8.054  -4.208   0.892  1.00 87.38           C  
+ATOM   1630  O   ARG A 208       5.172  -4.850   1.966  1.00 87.38           O  
+ATOM   1631  CG  ARG A 208       8.913  -4.202  -0.363  1.00 87.38           C  
+ATOM   1632  CD  ARG A 208      10.249  -4.897  -0.135  1.00 87.38           C  
+ATOM   1633  NE  ARG A 208      11.195  -4.610  -1.210  1.00 87.38           N  
+ATOM   1634  NH1 ARG A 208      12.974  -5.694  -0.211  1.00 87.38           N  
+ATOM   1635  NH2 ARG A 208      13.241  -4.681  -2.250  1.00 87.38           N  
+ATOM   1636  CZ  ARG A 208      12.468  -4.996  -1.221  1.00 87.38           C  
+ATOM   1637  N   LYS A 209       5.765  -2.912   2.846  1.00 79.05           N  
+ATOM   1638  CA  LYS A 209       4.883  -3.115   3.992  1.00 79.05           C  
+ATOM   1639  C   LYS A 209       3.422  -3.179   3.556  1.00 79.05           C  
+ATOM   1640  CB  LYS A 209       5.075  -2.000   5.021  1.00 79.05           C  
+ATOM   1641  O   LYS A 209       2.583  -3.741   4.263  1.00 79.05           O  
+ATOM   1642  CG  LYS A 209       6.440  -2.006   5.693  1.00 79.05           C  
+ATOM   1643  CD  LYS A 209       6.567  -0.879   6.710  1.00 79.05           C  
+ATOM   1644  CE  LYS A 209       7.952  -0.850   7.343  1.00 79.05           C  
+ATOM   1645  NZ  LYS A 209       8.095   0.280   8.310  1.00 79.05           N  
+ATOM   1646  N   LYS A 210       3.185  -2.706   2.353  1.00 82.83           N  
+ATOM   1647  CA  LYS A 210       1.815  -2.637   1.854  1.00 82.83           C  
+ATOM   1648  C   LYS A 210       1.412  -3.941   1.172  1.00 82.83           C  
+ATOM   1649  CB  LYS A 210       1.655  -1.466   0.883  1.00 82.83           C  
+ATOM   1650  O   LYS A 210       0.231  -4.166   0.899  1.00 82.83           O  
+ATOM   1651  CG  LYS A 210       1.869  -0.101   1.520  1.00 82.83           C  
+ATOM   1652  CD  LYS A 210       1.742   1.020   0.495  1.00 82.83           C  
+ATOM   1653  CE  LYS A 210       2.045   2.379   1.111  1.00 82.83           C  
+ATOM   1654  NZ  LYS A 210       2.002   3.470   0.093  1.00 82.83           N  
+ATOM   1655  N   TRP A 211       2.390  -4.866   0.888  1.00 87.88           N  
+ATOM   1656  CA  TRP A 211       2.147  -6.119   0.181  1.00 87.88           C  
+ATOM   1657  C   TRP A 211       1.113  -6.967   0.915  1.00 87.88           C  
+ATOM   1658  CB  TRP A 211       3.450  -6.907   0.019  1.00 87.88           C  
+ATOM   1659  O   TRP A 211       0.217  -7.541   0.292  1.00 87.88           O  
+ATOM   1660  CG  TRP A 211       4.393  -6.323  -0.990  1.00 87.88           C  
+ATOM   1661  CD1 TRP A 211       4.314  -5.090  -1.575  1.00 87.88           C  
+ATOM   1662  CD2 TRP A 211       5.555  -6.953  -1.537  1.00 87.88           C  
+ATOM   1663  CE2 TRP A 211       6.135  -6.043  -2.448  1.00 87.88           C  
+ATOM   1664  CE3 TRP A 211       6.165  -8.200  -1.344  1.00 87.88           C  
+ATOM   1665  NE1 TRP A 211       5.359  -4.915  -2.453  1.00 87.88           N  
+ATOM   1666  CH2 TRP A 211       7.872  -7.568  -2.958  1.00 87.88           C  
+ATOM   1667  CZ2 TRP A 211       7.296  -6.341  -3.165  1.00 87.88           C  
+ATOM   1668  CZ3 TRP A 211       7.320  -8.495  -2.059  1.00 87.88           C  
+ATOM   1669  N   ILE A 212       1.240  -6.960   2.187  1.00 81.90           N  
+ATOM   1670  CA  ILE A 212       0.442  -7.857   3.015  1.00 81.90           C  
+ATOM   1671  C   ILE A 212      -1.041  -7.530   2.850  1.00 81.90           C  
+ATOM   1672  CB  ILE A 212       0.849  -7.765   4.503  1.00 81.90           C  
+ATOM   1673  O   ILE A 212      -1.899  -8.394   3.048  1.00 81.90           O  
+ATOM   1674  CG1 ILE A 212       0.743  -6.318   4.997  1.00 81.90           C  
+ATOM   1675  CG2 ILE A 212       2.263  -8.313   4.711  1.00 81.90           C  
+ATOM   1676  CD1 ILE A 212       0.842  -6.171   6.509  1.00 81.90           C  
+ATOM   1677  N   HIS A 213      -1.297  -6.334   2.335  1.00 79.23           N  
+ATOM   1678  CA  HIS A 213      -2.679  -5.884   2.205  1.00 79.23           C  
+ATOM   1679  C   HIS A 213      -3.343  -6.493   0.975  1.00 79.23           C  
+ATOM   1680  CB  HIS A 213      -2.741  -4.357   2.133  1.00 79.23           C  
+ATOM   1681  O   HIS A 213      -4.569  -6.456   0.844  1.00 79.23           O  
+ATOM   1682  CG  HIS A 213      -2.297  -3.679   3.391  1.00 79.23           C  
+ATOM   1683  CD2 HIS A 213      -1.209  -2.918   3.654  1.00 79.23           C  
+ATOM   1684  ND1 HIS A 213      -3.012  -3.751   4.567  1.00 79.23           N  
+ATOM   1685  CE1 HIS A 213      -2.380  -3.061   5.501  1.00 79.23           C  
+ATOM   1686  NE2 HIS A 213      -1.284  -2.546   4.973  1.00 79.23           N  
+ATOM   1687  N   CYS A 214      -2.456  -7.147   0.127  1.00 86.01           N  
+ATOM   1688  CA  CYS A 214      -3.006  -7.699  -1.106  1.00 86.01           C  
+ATOM   1689  C   CYS A 214      -2.980  -9.222  -1.081  1.00 86.01           C  
+ATOM   1690  CB  CYS A 214      -2.227  -7.186  -2.317  1.00 86.01           C  
+ATOM   1691  O   CYS A 214      -3.295  -9.869  -2.081  1.00 86.01           O  
+ATOM   1692  SG  CYS A 214      -2.247  -5.388  -2.488  1.00 86.01           S  
+ATOM   1693  N   PHE A 215      -2.609  -9.881   0.027  1.00 85.81           N  
+ATOM   1694  CA  PHE A 215      -2.337 -11.312   0.090  1.00 85.81           C  
+ATOM   1695  C   PHE A 215      -3.634 -12.106   0.186  1.00 85.81           C  
+ATOM   1696  CB  PHE A 215      -1.433 -11.637   1.284  1.00 85.81           C  
+ATOM   1697  O   PHE A 215      -3.676 -13.283  -0.177  1.00 85.81           O  
+ATOM   1698  CG  PHE A 215       0.028 -11.388   1.024  1.00 85.81           C  
+ATOM   1699  CD1 PHE A 215       0.444 -10.764  -0.145  1.00 85.81           C  
+ATOM   1700  CD2 PHE A 215       0.986 -11.779   1.951  1.00 85.81           C  
+ATOM   1701  CE1 PHE A 215       1.796 -10.532  -0.388  1.00 85.81           C  
+ATOM   1702  CE2 PHE A 215       2.339 -11.551   1.715  1.00 85.81           C  
+ATOM   1703  CZ  PHE A 215       2.742 -10.928   0.545  1.00 85.81           C  
+ATOM   1704  N   GLU A 216      -4.663 -11.430   0.374  1.00 81.80           N  
+ATOM   1705  CA  GLU A 216      -5.907 -12.168   0.568  1.00 81.80           C  
+ATOM   1706  C   GLU A 216      -6.601 -12.438  -0.764  1.00 81.80           C  
+ATOM   1707  CB  GLU A 216      -6.846 -11.403   1.505  1.00 81.80           C  
+ATOM   1708  O   GLU A 216      -6.765 -11.529  -1.581  1.00 81.80           O  
+ATOM   1709  CG  GLU A 216      -8.054 -12.211   1.958  1.00 81.80           C  
+ATOM   1710  CD  GLU A 216      -8.918 -11.479   2.973  1.00 81.80           C  
+ATOM   1711  OE1 GLU A 216      -9.904 -12.070   3.468  1.00 81.80           O  
+ATOM   1712  OE2 GLU A 216      -8.606 -10.305   3.274  1.00 81.80           O  
+ATOM   1713  N   GLY A 217      -7.035 -13.616  -0.913  1.00 80.86           N  
+ATOM   1714  CA  GLY A 217      -7.874 -14.039  -2.023  1.00 80.86           C  
+ATOM   1715  C   GLY A 217      -7.150 -14.029  -3.356  1.00 80.86           C  
+ATOM   1716  O   GLY A 217      -7.769 -13.826  -4.403  1.00 80.86           O  
+ATOM   1717  N   VAL A 218      -5.802 -14.167  -3.268  1.00 89.35           N  
+ATOM   1718  CA  VAL A 218      -5.005 -14.151  -4.491  1.00 89.35           C  
+ATOM   1719  C   VAL A 218      -5.084 -15.513  -5.177  1.00 89.35           C  
+ATOM   1720  CB  VAL A 218      -3.532 -13.784  -4.203  1.00 89.35           C  
+ATOM   1721  O   VAL A 218      -4.893 -16.549  -4.537  1.00 89.35           O  
+ATOM   1722  CG1 VAL A 218      -2.695 -13.873  -5.478  1.00 89.35           C  
+ATOM   1723  CG2 VAL A 218      -3.440 -12.385  -3.597  1.00 89.35           C  
+ATOM   1724  N   THR A 219      -5.430 -15.446  -6.528  1.00 89.44           N  
+ATOM   1725  CA  THR A 219      -5.511 -16.673  -7.314  1.00 89.44           C  
+ATOM   1726  C   THR A 219      -4.120 -17.132  -7.745  1.00 89.44           C  
+ATOM   1727  CB  THR A 219      -6.400 -16.483  -8.557  1.00 89.44           C  
+ATOM   1728  O   THR A 219      -3.789 -18.314  -7.633  1.00 89.44           O  
+ATOM   1729  CG2 THR A 219      -6.587 -17.798  -9.305  1.00 89.44           C  
+ATOM   1730  OG1 THR A 219      -7.682 -15.990  -8.149  1.00 89.44           O  
+ATOM   1731  N   ALA A 220      -3.354 -16.212  -8.220  1.00 92.61           N  
+ATOM   1732  CA  ALA A 220      -1.999 -16.501  -8.681  1.00 92.61           C  
+ATOM   1733  C   ALA A 220      -1.076 -15.307  -8.456  1.00 92.61           C  
+ATOM   1734  CB  ALA A 220      -2.010 -16.891 -10.157  1.00 92.61           C  
+ATOM   1735  O   ALA A 220      -1.519 -14.156  -8.497  1.00 92.61           O  
+ATOM   1736  N   ILE A 221       0.205 -15.706  -8.159  1.00 94.91           N  
+ATOM   1737  CA  ILE A 221       1.241 -14.691  -8.006  1.00 94.91           C  
+ATOM   1738  C   ILE A 221       2.174 -14.720  -9.215  1.00 94.91           C  
+ATOM   1739  CB  ILE A 221       2.046 -14.896  -6.703  1.00 94.91           C  
+ATOM   1740  O   ILE A 221       2.629 -15.788  -9.630  1.00 94.91           O  
+ATOM   1741  CG1 ILE A 221       1.140 -14.708  -5.481  1.00 94.91           C  
+ATOM   1742  CG2 ILE A 221       3.241 -13.940  -6.651  1.00 94.91           C  
+ATOM   1743  CD1 ILE A 221       1.798 -15.082  -4.160  1.00 94.91           C  
+ATOM   1744  N   ILE A 222       2.357 -13.537  -9.765  1.00 96.54           N  
+ATOM   1745  CA  ILE A 222       3.407 -13.372 -10.764  1.00 96.54           C  
+ATOM   1746  C   ILE A 222       4.605 -12.658 -10.141  1.00 96.54           C  
+ATOM   1747  CB  ILE A 222       2.898 -12.590 -11.995  1.00 96.54           C  
+ATOM   1748  O   ILE A 222       4.532 -11.468  -9.828  1.00 96.54           O  
+ATOM   1749  CG1 ILE A 222       1.708 -13.315 -12.634  1.00 96.54           C  
+ATOM   1750  CG2 ILE A 222       4.026 -12.387 -13.011  1.00 96.54           C  
+ATOM   1751  CD1 ILE A 222       1.048 -12.542 -13.768  1.00 96.54           C  
+ATOM   1752  N   PHE A 223       5.607 -13.453  -9.937  1.00 97.50           N  
+ATOM   1753  CA  PHE A 223       6.805 -12.871  -9.343  1.00 97.50           C  
+ATOM   1754  C   PHE A 223       7.817 -12.497 -10.420  1.00 97.50           C  
+ATOM   1755  CB  PHE A 223       7.438 -13.843  -8.343  1.00 97.50           C  
+ATOM   1756  O   PHE A 223       8.323 -13.367 -11.131  1.00 97.50           O  
+ATOM   1757  CG  PHE A 223       8.442 -13.202  -7.424  1.00 97.50           C  
+ATOM   1758  CD1 PHE A 223       9.781 -13.119  -7.785  1.00 97.50           C  
+ATOM   1759  CD2 PHE A 223       8.047 -12.681  -6.199  1.00 97.50           C  
+ATOM   1760  CE1 PHE A 223      10.713 -12.525  -6.937  1.00 97.50           C  
+ATOM   1761  CE2 PHE A 223       8.972 -12.087  -5.346  1.00 97.50           C  
+ATOM   1762  CZ  PHE A 223      10.305 -12.011  -5.716  1.00 97.50           C  
+ATOM   1763  N   CYS A 224       8.149 -11.193 -10.521  1.00 97.77           N  
+ATOM   1764  CA  CYS A 224       9.012 -10.682 -11.580  1.00 97.77           C  
+ATOM   1765  C   CYS A 224      10.445 -10.522 -11.086  1.00 97.77           C  
+ATOM   1766  CB  CYS A 224       8.489  -9.343 -12.098  1.00 97.77           C  
+ATOM   1767  O   CYS A 224      10.683  -9.892 -10.054  1.00 97.77           O  
+ATOM   1768  SG  CYS A 224       6.879  -9.454 -12.909  1.00 97.77           S  
+ATOM   1769  N   VAL A 225      11.299 -11.079 -11.856  1.00 98.02           N  
+ATOM   1770  CA  VAL A 225      12.727 -10.972 -11.574  1.00 98.02           C  
+ATOM   1771  C   VAL A 225      13.450 -10.375 -12.779  1.00 98.02           C  
+ATOM   1772  CB  VAL A 225      13.338 -12.344 -11.212  1.00 98.02           C  
+ATOM   1773  O   VAL A 225      13.253 -10.821 -13.912  1.00 98.02           O  
+ATOM   1774  CG1 VAL A 225      14.844 -12.221 -10.982  1.00 98.02           C  
+ATOM   1775  CG2 VAL A 225      12.652 -12.924  -9.977  1.00 98.02           C  
+ATOM   1776  N   ALA A 226      14.206  -9.347 -12.498  1.00 97.24           N  
+ATOM   1777  CA  ALA A 226      15.017  -8.780 -13.572  1.00 97.24           C  
+ATOM   1778  C   ALA A 226      16.328  -9.544 -13.732  1.00 97.24           C  
+ATOM   1779  CB  ALA A 226      15.295  -7.302 -13.305  1.00 97.24           C  
+ATOM   1780  O   ALA A 226      17.206  -9.470 -12.869  1.00 97.24           O  
+ATOM   1781  N   LEU A 227      16.512 -10.170 -14.861  1.00 97.27           N  
+ATOM   1782  CA  LEU A 227      17.713 -10.953 -15.129  1.00 97.27           C  
+ATOM   1783  C   LEU A 227      18.937 -10.051 -15.240  1.00 97.27           C  
+ATOM   1784  CB  LEU A 227      17.546 -11.768 -16.414  1.00 97.27           C  
+ATOM   1785  O   LEU A 227      20.035 -10.432 -14.826  1.00 97.27           O  
+ATOM   1786  CG  LEU A 227      16.675 -13.021 -16.315  1.00 97.27           C  
+ATOM   1787  CD1 LEU A 227      16.430 -13.607 -17.702  1.00 97.27           C  
+ATOM   1788  CD2 LEU A 227      17.324 -14.053 -15.400  1.00 97.27           C  
+ATOM   1789  N   SER A 228      18.719  -8.915 -15.722  1.00 95.84           N  
+ATOM   1790  CA  SER A 228      19.801  -7.981 -16.015  1.00 95.84           C  
+ATOM   1791  C   SER A 228      20.354  -7.358 -14.738  1.00 95.84           C  
+ATOM   1792  CB  SER A 228      19.317  -6.881 -16.961  1.00 95.84           C  
+ATOM   1793  O   SER A 228      21.411  -6.724 -14.758  1.00 95.84           O  
+ATOM   1794  OG  SER A 228      18.247  -6.154 -16.382  1.00 95.84           O  
+ATOM   1795  N   ASP A 229      19.799  -7.622 -13.574  1.00 95.73           N  
+ATOM   1796  CA  ASP A 229      20.163  -6.957 -12.327  1.00 95.73           C  
+ATOM   1797  C   ASP A 229      21.270  -7.719 -11.602  1.00 95.73           C  
+ATOM   1798  CB  ASP A 229      18.941  -6.813 -11.418  1.00 95.73           C  
+ATOM   1799  O   ASP A 229      21.692  -7.324 -10.513  1.00 95.73           O  
+ATOM   1800  CG  ASP A 229      18.055  -5.639 -11.796  1.00 95.73           C  
+ATOM   1801  OD1 ASP A 229      18.400  -4.894 -12.739  1.00 95.73           O  
+ATOM   1802  OD2 ASP A 229      17.005  -5.455 -11.143  1.00 95.73           O  
+ATOM   1803  N   TYR A 230      21.772  -8.789 -12.116  1.00 96.14           N  
+ATOM   1804  CA  TYR A 230      22.717  -9.656 -11.421  1.00 96.14           C  
+ATOM   1805  C   TYR A 230      23.996  -8.902 -11.075  1.00 96.14           C  
+ATOM   1806  CB  TYR A 230      23.050 -10.883 -12.276  1.00 96.14           C  
+ATOM   1807  O   TYR A 230      24.706  -9.271 -10.136  1.00 96.14           O  
+ATOM   1808  CG  TYR A 230      23.925 -10.574 -13.466  1.00 96.14           C  
+ATOM   1809  CD1 TYR A 230      23.368 -10.221 -14.693  1.00 96.14           C  
+ATOM   1810  CD2 TYR A 230      25.311 -10.636 -13.367  1.00 96.14           C  
+ATOM   1811  CE1 TYR A 230      24.170  -9.937 -15.793  1.00 96.14           C  
+ATOM   1812  CE2 TYR A 230      26.124 -10.355 -14.460  1.00 96.14           C  
+ATOM   1813  OH  TYR A 230      26.344  -9.727 -16.753  1.00 96.14           O  
+ATOM   1814  CZ  TYR A 230      25.545 -10.007 -15.667  1.00 96.14           C  
+ATOM   1815  N   ASP A 231      24.292  -7.844 -11.791  1.00 94.62           N  
+ATOM   1816  CA  ASP A 231      25.538  -7.121 -11.553  1.00 94.62           C  
+ATOM   1817  C   ASP A 231      25.264  -5.713 -11.030  1.00 94.62           C  
+ATOM   1818  CB  ASP A 231      26.373  -7.054 -12.833  1.00 94.62           C  
+ATOM   1819  O   ASP A 231      26.079  -4.806 -11.216  1.00 94.62           O  
+ATOM   1820  CG  ASP A 231      25.671  -6.319 -13.961  1.00 94.62           C  
+ATOM   1821  OD1 ASP A 231      24.454  -6.056 -13.854  1.00 94.62           O  
+ATOM   1822  OD2 ASP A 231      26.341  -6.002 -14.968  1.00 94.62           O  
+ATOM   1823  N   LEU A 232      24.119  -5.490 -10.384  1.00 94.83           N  
+ATOM   1824  CA  LEU A 232      23.759  -4.177  -9.859  1.00 94.83           C  
+ATOM   1825  C   LEU A 232      23.504  -4.244  -8.357  1.00 94.83           C  
+ATOM   1826  CB  LEU A 232      22.519  -3.635 -10.575  1.00 94.83           C  
+ATOM   1827  O   LEU A 232      23.177  -5.307  -7.825  1.00 94.83           O  
+ATOM   1828  CG  LEU A 232      22.637  -3.451 -12.089  1.00 94.83           C  
+ATOM   1829  CD1 LEU A 232      21.292  -3.039 -12.679  1.00 94.83           C  
+ATOM   1830  CD2 LEU A 232      23.710  -2.421 -12.421  1.00 94.83           C  
+ATOM   1831  N   VAL A 233      23.706  -3.081  -7.724  1.00 93.78           N  
+ATOM   1832  CA  VAL A 233      23.375  -2.962  -6.308  1.00 93.78           C  
+ATOM   1833  C   VAL A 233      22.113  -2.119  -6.141  1.00 93.78           C  
+ATOM   1834  CB  VAL A 233      24.539  -2.344  -5.502  1.00 93.78           C  
+ATOM   1835  O   VAL A 233      21.721  -1.390  -7.056  1.00 93.78           O  
+ATOM   1836  CG1 VAL A 233      25.763  -3.259  -5.533  1.00 93.78           C  
+ATOM   1837  CG2 VAL A 233      24.889  -0.961  -6.047  1.00 93.78           C  
+ATOM   1838  N   LEU A 234      21.483  -2.205  -4.985  1.00 89.70           N  
+ATOM   1839  CA  LEU A 234      20.263  -1.453  -4.710  1.00 89.70           C  
+ATOM   1840  C   LEU A 234      20.560   0.038  -4.586  1.00 89.70           C  
+ATOM   1841  CB  LEU A 234      19.599  -1.962  -3.428  1.00 89.70           C  
+ATOM   1842  O   LEU A 234      21.626   0.425  -4.102  1.00 89.70           O  
+ATOM   1843  CG  LEU A 234      19.029  -3.380  -3.476  1.00 89.70           C  
+ATOM   1844  CD1 LEU A 234      18.477  -3.777  -2.111  1.00 89.70           C  
+ATOM   1845  CD2 LEU A 234      17.948  -3.487  -4.547  1.00 89.70           C  
+ATOM   1846  N   ALA A 235      19.589   0.832  -5.006  1.00 85.01           N  
+ATOM   1847  CA  ALA A 235      19.706   2.276  -4.818  1.00 85.01           C  
+ATOM   1848  C   ALA A 235      19.653   2.642  -3.338  1.00 85.01           C  
+ATOM   1849  CB  ALA A 235      18.603   3.003  -5.583  1.00 85.01           C  
+ATOM   1850  O   ALA A 235      20.367   3.542  -2.888  1.00 85.01           O  
+ATOM   1851  N   GLU A 236      18.895   1.864  -2.556  1.00 83.08           N  
+ATOM   1852  CA  GLU A 236      18.615   2.100  -1.143  1.00 83.08           C  
+ATOM   1853  C   GLU A 236      19.732   1.552  -0.260  1.00 83.08           C  
+ATOM   1854  CB  GLU A 236      17.276   1.472  -0.748  1.00 83.08           C  
+ATOM   1855  O   GLU A 236      19.882   1.969   0.890  1.00 83.08           O  
+ATOM   1856  CG  GLU A 236      16.088   2.012  -1.531  1.00 83.08           C  
+ATOM   1857  CD  GLU A 236      15.739   1.170  -2.748  1.00 83.08           C  
+ATOM   1858  OE1 GLU A 236      14.541   1.082  -3.101  1.00 83.08           O  
+ATOM   1859  OE2 GLU A 236      16.670   0.593  -3.352  1.00 83.08           O  
+ATOM   1860  N   ASP A 237      20.492   0.539  -0.814  1.00 84.51           N  
+ATOM   1861  CA  ASP A 237      21.572  -0.138  -0.103  1.00 84.51           C  
+ATOM   1862  C   ASP A 237      22.677  -0.570  -1.064  1.00 84.51           C  
+ATOM   1863  CB  ASP A 237      21.035  -1.351   0.660  1.00 84.51           C  
+ATOM   1864  O   ASP A 237      22.549  -1.586  -1.749  1.00 84.51           O  
+ATOM   1865  CG  ASP A 237      22.079  -2.001   1.552  1.00 84.51           C  
+ATOM   1866  OD1 ASP A 237      23.262  -1.603   1.495  1.00 84.51           O  
+ATOM   1867  OD2 ASP A 237      21.714  -2.921   2.316  1.00 84.51           O  
+ATOM   1868  N   GLU A 238      23.836   0.124  -1.029  1.00 87.58           N  
+ATOM   1869  CA  GLU A 238      24.913  -0.078  -1.993  1.00 87.58           C  
+ATOM   1870  C   GLU A 238      25.703  -1.346  -1.680  1.00 87.58           C  
+ATOM   1871  CB  GLU A 238      25.850   1.133  -2.016  1.00 87.58           C  
+ATOM   1872  O   GLU A 238      26.560  -1.760  -2.463  1.00 87.58           O  
+ATOM   1873  CG  GLU A 238      25.219   2.387  -2.603  1.00 87.58           C  
+ATOM   1874  CD  GLU A 238      26.188   3.554  -2.706  1.00 87.58           C  
+ATOM   1875  OE1 GLU A 238      25.799   4.621  -3.232  1.00 87.58           O  
+ATOM   1876  OE2 GLU A 238      27.346   3.399  -2.258  1.00 87.58           O  
+ATOM   1877  N   GLU A 239      25.354  -2.081  -0.621  1.00 89.78           N  
+ATOM   1878  CA  GLU A 239      26.055  -3.304  -0.239  1.00 89.78           C  
+ATOM   1879  C   GLU A 239      25.272  -4.544  -0.661  1.00 89.78           C  
+ATOM   1880  CB  GLU A 239      26.309  -3.330   1.270  1.00 89.78           C  
+ATOM   1881  O   GLU A 239      25.787  -5.662  -0.594  1.00 89.78           O  
+ATOM   1882  CG  GLU A 239      27.264  -2.248   1.752  1.00 89.78           C  
+ATOM   1883  CD  GLU A 239      27.642  -2.391   3.218  1.00 89.78           C  
+ATOM   1884  OE1 GLU A 239      28.657  -1.795   3.644  1.00 89.78           O  
+ATOM   1885  OE2 GLU A 239      26.916  -3.104   3.946  1.00 89.78           O  
+ATOM   1886  N   MET A 240      24.077  -4.325  -1.054  1.00 91.89           N  
+ATOM   1887  CA  MET A 240      23.186  -5.436  -1.376  1.00 91.89           C  
+ATOM   1888  C   MET A 240      23.035  -5.593  -2.885  1.00 91.89           C  
+ATOM   1889  CB  MET A 240      21.814  -5.231  -0.731  1.00 91.89           C  
+ATOM   1890  O   MET A 240      22.584  -4.671  -3.567  1.00 91.89           O  
+ATOM   1891  CG  MET A 240      20.829  -6.353  -1.015  1.00 91.89           C  
+ATOM   1892  SD  MET A 240      21.405  -7.973  -0.374  1.00 91.89           S  
+ATOM   1893  CE  MET A 240      21.332  -7.654   1.411  1.00 91.89           C  
+ATOM   1894  N   ASN A 241      23.379  -6.756  -3.384  1.00 95.28           N  
+ATOM   1895  CA  ASN A 241      23.152  -7.089  -4.786  1.00 95.28           C  
+ATOM   1896  C   ASN A 241      21.665  -7.245  -5.091  1.00 95.28           C  
+ATOM   1897  CB  ASN A 241      23.909  -8.364  -5.165  1.00 95.28           C  
+ATOM   1898  O   ASN A 241      20.929  -7.861  -4.318  1.00 95.28           O  
+ATOM   1899  CG  ASN A 241      23.766  -8.713  -6.633  1.00 95.28           C  
+ATOM   1900  ND2 ASN A 241      24.742  -8.306  -7.437  1.00 95.28           N  
+ATOM   1901  OD1 ASN A 241      22.788  -9.342  -7.042  1.00 95.28           O  
+ATOM   1902  N   ARG A 242      21.225  -6.677  -6.202  1.00 94.95           N  
+ATOM   1903  CA  ARG A 242      19.805  -6.635  -6.538  1.00 94.95           C  
+ATOM   1904  C   ARG A 242      19.257  -8.038  -6.774  1.00 94.95           C  
+ATOM   1905  CB  ARG A 242      19.571  -5.766  -7.775  1.00 94.95           C  
+ATOM   1906  O   ARG A 242      18.124  -8.340  -6.392  1.00 94.95           O  
+ATOM   1907  CG  ARG A 242      19.669  -4.273  -7.507  1.00 94.95           C  
+ATOM   1908  CD  ARG A 242      19.197  -3.453  -8.700  1.00 94.95           C  
+ATOM   1909  NE  ARG A 242      19.306  -2.019  -8.446  1.00 94.95           N  
+ATOM   1910  NH1 ARG A 242      18.021  -1.390 -10.260  1.00 94.95           N  
+ATOM   1911  NH2 ARG A 242      18.909   0.203  -8.871  1.00 94.95           N  
+ATOM   1912  CZ  ARG A 242      18.745  -1.072  -9.193  1.00 94.95           C  
+ATOM   1913  N   MET A 243      20.033  -8.985  -7.419  1.00 96.76           N  
+ATOM   1914  CA  MET A 243      19.602 -10.359  -7.662  1.00 96.76           C  
+ATOM   1915  C   MET A 243      19.457 -11.124  -6.351  1.00 96.76           C  
+ATOM   1916  CB  MET A 243      20.589 -11.079  -8.582  1.00 96.76           C  
+ATOM   1917  O   MET A 243      18.494 -11.870  -6.165  1.00 96.76           O  
+ATOM   1918  CG  MET A 243      20.186 -12.505  -8.918  1.00 96.76           C  
+ATOM   1919  SD  MET A 243      18.585 -12.591  -9.811  1.00 96.76           S  
+ATOM   1920  CE  MET A 243      19.086 -11.938 -11.428  1.00 96.76           C  
+ATOM   1921  N   HIS A 244      20.335 -10.980  -5.453  1.00 95.84           N  
+ATOM   1922  CA  HIS A 244      20.250 -11.619  -4.144  1.00 95.84           C  
+ATOM   1923  C   HIS A 244      19.030 -11.130  -3.371  1.00 95.84           C  
+ATOM   1924  CB  HIS A 244      21.523 -11.358  -3.337  1.00 95.84           C  
+ATOM   1925  O   HIS A 244      18.347 -11.920  -2.716  1.00 95.84           O  
+ATOM   1926  CG  HIS A 244      22.707 -12.136  -3.816  1.00 95.84           C  
+ATOM   1927  CD2 HIS A 244      22.807 -13.398  -4.294  1.00 95.84           C  
+ATOM   1928  ND1 HIS A 244      23.983 -11.614  -3.832  1.00 95.84           N  
+ATOM   1929  CE1 HIS A 244      24.818 -12.525  -4.301  1.00 95.84           C  
+ATOM   1930  NE2 HIS A 244      24.131 -13.617  -4.589  1.00 95.84           N  
+ATOM   1931  N   GLU A 245      18.876  -9.845  -3.461  1.00 94.52           N  
+ATOM   1932  CA  GLU A 245      17.674  -9.302  -2.835  1.00 94.52           C  
+ATOM   1933  C   GLU A 245      16.414  -9.935  -3.419  1.00 94.52           C  
+ATOM   1934  CB  GLU A 245      17.623  -7.781  -2.997  1.00 94.52           C  
+ATOM   1935  O   GLU A 245      15.498 -10.303  -2.680  1.00 94.52           O  
+ATOM   1936  CG  GLU A 245      16.352  -7.146  -2.451  1.00 94.52           C  
+ATOM   1937  CD  GLU A 245      16.250  -7.219  -0.935  1.00 94.52           C  
+ATOM   1938  OE1 GLU A 245      15.205  -6.812  -0.378  1.00 94.52           O  
+ATOM   1939  OE2 GLU A 245      17.223  -7.684  -0.301  1.00 94.52           O  
+ATOM   1940  N   SER A 246      16.338  -9.985  -4.685  1.00 96.82           N  
+ATOM   1941  CA  SER A 246      15.197 -10.601  -5.356  1.00 96.82           C  
+ATOM   1942  C   SER A 246      15.005 -12.045  -4.904  1.00 96.82           C  
+ATOM   1943  CB  SER A 246      15.377 -10.552  -6.874  1.00 96.82           C  
+ATOM   1944  O   SER A 246      13.876 -12.487  -4.684  1.00 96.82           O  
+ATOM   1945  OG  SER A 246      14.198 -10.980  -7.533  1.00 96.82           O  
+ATOM   1946  N   MET A 247      16.039 -12.741  -4.686  1.00 97.27           N  
+ATOM   1947  CA  MET A 247      15.978 -14.125  -4.224  1.00 97.27           C  
+ATOM   1948  C   MET A 247      15.421 -14.202  -2.807  1.00 97.27           C  
+ATOM   1949  CB  MET A 247      17.363 -14.773  -4.278  1.00 97.27           C  
+ATOM   1950  O   MET A 247      14.595 -15.065  -2.506  1.00 97.27           O  
+ATOM   1951  CG  MET A 247      17.848 -15.066  -5.688  1.00 97.27           C  
+ATOM   1952  SD  MET A 247      19.542 -15.771  -5.716  1.00 97.27           S  
+ATOM   1953  CE  MET A 247      19.238 -17.369  -4.913  1.00 97.27           C  
+ATOM   1954  N   LYS A 248      15.943 -13.318  -1.973  1.00 94.63           N  
+ATOM   1955  CA  LYS A 248      15.434 -13.270  -0.605  1.00 94.63           C  
+ATOM   1956  C   LYS A 248      13.930 -13.011  -0.587  1.00 94.63           C  
+ATOM   1957  CB  LYS A 248      16.161 -12.192   0.201  1.00 94.63           C  
+ATOM   1958  O   LYS A 248      13.192 -13.662   0.155  1.00 94.63           O  
+ATOM   1959  CG  LYS A 248      17.592 -12.555   0.569  1.00 94.63           C  
+ATOM   1960  CD  LYS A 248      18.247 -11.464   1.407  1.00 94.63           C  
+ATOM   1961  CE  LYS A 248      19.700 -11.795   1.720  1.00 94.63           C  
+ATOM   1962  NZ  LYS A 248      20.371 -10.690   2.468  1.00 94.63           N  
+ATOM   1963  N   LEU A 249      13.551 -12.133  -1.454  1.00 94.79           N  
+ATOM   1964  CA  LEU A 249      12.132 -11.803  -1.532  1.00 94.79           C  
+ATOM   1965  C   LEU A 249      11.322 -12.997  -2.027  1.00 94.79           C  
+ATOM   1966  CB  LEU A 249      11.910 -10.603  -2.457  1.00 94.79           C  
+ATOM   1967  O   LEU A 249      10.280 -13.325  -1.456  1.00 94.79           O  
+ATOM   1968  CG  LEU A 249      12.380  -9.246  -1.932  1.00 94.79           C  
+ATOM   1969  CD1 LEU A 249      12.307  -8.196  -3.035  1.00 94.79           C  
+ATOM   1970  CD2 LEU A 249      11.548  -8.822  -0.726  1.00 94.79           C  
+ATOM   1971  N   PHE A 250      11.819 -13.558  -3.032  1.00 96.86           N  
+ATOM   1972  CA  PHE A 250      11.134 -14.712  -3.602  1.00 96.86           C  
+ATOM   1973  C   PHE A 250      11.016 -15.833  -2.576  1.00 96.86           C  
+ATOM   1974  CB  PHE A 250      11.873 -15.216  -4.846  1.00 96.86           C  
+ATOM   1975  O   PHE A 250       9.966 -16.468  -2.461  1.00 96.86           O  
+ATOM   1976  CG  PHE A 250      11.185 -16.362  -5.537  1.00 96.86           C  
+ATOM   1977  CD1 PHE A 250      11.723 -17.643  -5.492  1.00 96.86           C  
+ATOM   1978  CD2 PHE A 250      10.000 -16.159  -6.233  1.00 96.86           C  
+ATOM   1979  CE1 PHE A 250      11.089 -18.706  -6.131  1.00 96.86           C  
+ATOM   1980  CE2 PHE A 250       9.361 -17.217  -6.874  1.00 96.86           C  
+ATOM   1981  CZ  PHE A 250       9.907 -18.489  -6.822  1.00 96.86           C  
+ATOM   1982  N   ASP A 251      12.056 -16.109  -1.864  1.00 95.45           N  
+ATOM   1983  CA  ASP A 251      12.048 -17.130  -0.821  1.00 95.45           C  
+ATOM   1984  C   ASP A 251      10.947 -16.862   0.202  1.00 95.45           C  
+ATOM   1985  CB  ASP A 251      13.409 -17.197  -0.124  1.00 95.45           C  
+ATOM   1986  O   ASP A 251      10.222 -17.778   0.597  1.00 95.45           O  
+ATOM   1987  CG  ASP A 251      13.514 -18.348   0.861  1.00 95.45           C  
+ATOM   1988  OD1 ASP A 251      13.063 -19.469   0.541  1.00 95.45           O  
+ATOM   1989  OD2 ASP A 251      14.051 -18.131   1.969  1.00 95.45           O  
+ATOM   1990  N   SER A 252      10.794 -15.637   0.584  1.00 91.65           N  
+ATOM   1991  CA  SER A 252       9.794 -15.249   1.574  1.00 91.65           C  
+ATOM   1992  C   SER A 252       8.382 -15.387   1.017  1.00 91.65           C  
+ATOM   1993  CB  SER A 252      10.030 -13.811   2.039  1.00 91.65           C  
+ATOM   1994  O   SER A 252       7.455 -15.751   1.743  1.00 91.65           O  
+ATOM   1995  OG  SER A 252       9.628 -12.888   1.042  1.00 91.65           O  
+ATOM   1996  N   ILE A 253       8.216 -15.209  -0.232  1.00 93.40           N  
+ATOM   1997  CA  ILE A 253       6.891 -15.212  -0.842  1.00 93.40           C  
+ATOM   1998  C   ILE A 253       6.478 -16.644  -1.174  1.00 93.40           C  
+ATOM   1999  CB  ILE A 253       6.854 -14.335  -2.114  1.00 93.40           C  
+ATOM   2000  O   ILE A 253       5.378 -17.076  -0.823  1.00 93.40           O  
+ATOM   2001  CG1 ILE A 253       7.089 -12.863  -1.756  1.00 93.40           C  
+ATOM   2002  CG2 ILE A 253       5.524 -14.513  -2.854  1.00 93.40           C  
+ATOM   2003  CD1 ILE A 253       6.029 -12.274  -0.835  1.00 93.40           C  
+ATOM   2004  N   CYS A 254       7.356 -17.301  -1.793  1.00 92.75           N  
+ATOM   2005  CA  CYS A 254       7.046 -18.642  -2.276  1.00 92.75           C  
+ATOM   2006  C   CYS A 254       6.769 -19.589  -1.115  1.00 92.75           C  
+ATOM   2007  CB  CYS A 254       8.195 -19.185  -3.126  1.00 92.75           C  
+ATOM   2008  O   CYS A 254       6.032 -20.565  -1.266  1.00 92.75           O  
+ATOM   2009  SG  CYS A 254       7.846 -20.787  -3.883  1.00 92.75           S  
+ATOM   2010  N   ASN A 255       7.273 -19.269   0.027  1.00 91.34           N  
+ATOM   2011  CA  ASN A 255       7.147 -20.164   1.172  1.00 91.34           C  
+ATOM   2012  C   ASN A 255       6.240 -19.573   2.248  1.00 91.34           C  
+ATOM   2013  CB  ASN A 255       8.524 -20.486   1.757  1.00 91.34           C  
+ATOM   2014  O   ASN A 255       6.144 -20.114   3.351  1.00 91.34           O  
+ATOM   2015  CG  ASN A 255       9.418 -21.218   0.776  1.00 91.34           C  
+ATOM   2016  ND2 ASN A 255      10.617 -20.692   0.559  1.00 91.34           N  
+ATOM   2017  OD1 ASN A 255       9.033 -22.248   0.216  1.00 91.34           O  
+ATOM   2018  N   ASN A 256       5.598 -18.581   1.927  1.00 89.43           N  
+ATOM   2019  CA  ASN A 256       4.694 -17.906   2.852  1.00 89.43           C  
+ATOM   2020  C   ASN A 256       3.390 -18.680   3.026  1.00 89.43           C  
+ATOM   2021  CB  ASN A 256       4.405 -16.481   2.376  1.00 89.43           C  
+ATOM   2022  O   ASN A 256       2.820 -19.172   2.051  1.00 89.43           O  
+ATOM   2023  CG  ASN A 256       3.731 -15.636   3.440  1.00 89.43           C  
+ATOM   2024  ND2 ASN A 256       4.300 -14.469   3.718  1.00 89.43           N  
+ATOM   2025  OD1 ASN A 256       2.709 -16.029   4.007  1.00 89.43           O  
+ATOM   2026  N   LYS A 257       2.832 -18.677   4.279  1.00 87.45           N  
+ATOM   2027  CA  LYS A 257       1.648 -19.455   4.629  1.00 87.45           C  
+ATOM   2028  C   LYS A 257       0.406 -18.912   3.928  1.00 87.45           C  
+ATOM   2029  CB  LYS A 257       1.435 -19.457   6.144  1.00 87.45           C  
+ATOM   2030  O   LYS A 257      -0.570 -19.639   3.732  1.00 87.45           O  
+ATOM   2031  CG  LYS A 257       1.376 -18.068   6.763  1.00 87.45           C  
+ATOM   2032  CD  LYS A 257       1.177 -18.136   8.271  1.00 87.45           C  
+ATOM   2033  CE  LYS A 257       1.139 -16.747   8.894  1.00 87.45           C  
+ATOM   2034  NZ  LYS A 257       0.946 -16.808  10.374  1.00 87.45           N  
+ATOM   2035  N   TRP A 258       0.463 -17.555   3.592  1.00 85.85           N  
+ATOM   2036  CA  TRP A 258      -0.687 -16.951   2.928  1.00 85.85           C  
+ATOM   2037  C   TRP A 258      -0.890 -17.546   1.539  1.00 85.85           C  
+ATOM   2038  CB  TRP A 258      -0.513 -15.433   2.826  1.00 85.85           C  
+ATOM   2039  O   TRP A 258      -1.998 -17.514   0.998  1.00 85.85           O  
+ATOM   2040  CG  TRP A 258      -0.858 -14.694   4.084  1.00 85.85           C  
+ATOM   2041  CD1 TRP A 258      -0.878 -15.196   5.355  1.00 85.85           C  
+ATOM   2042  CD2 TRP A 258      -1.237 -13.318   4.190  1.00 85.85           C  
+ATOM   2043  CE2 TRP A 258      -1.473 -13.054   5.557  1.00 85.85           C  
+ATOM   2044  CE3 TRP A 258      -1.400 -12.282   3.260  1.00 85.85           C  
+ATOM   2045  NE1 TRP A 258      -1.247 -14.215   6.246  1.00 85.85           N  
+ATOM   2046  CH2 TRP A 258      -2.016 -10.798   5.087  1.00 85.85           C  
+ATOM   2047  CZ2 TRP A 258      -1.863 -11.794   6.017  1.00 85.85           C  
+ATOM   2048  CZ3 TRP A 258      -1.789 -11.030   3.720  1.00 85.85           C  
+ATOM   2049  N   PHE A 259       0.169 -18.178   0.960  1.00 89.64           N  
+ATOM   2050  CA  PHE A 259       0.118 -18.571  -0.443  1.00 89.64           C  
+ATOM   2051  C   PHE A 259       0.237 -20.083  -0.587  1.00 89.64           C  
+ATOM   2052  CB  PHE A 259       1.231 -17.879  -1.237  1.00 89.64           C  
+ATOM   2053  O   PHE A 259       0.829 -20.576  -1.549  1.00 89.64           O  
+ATOM   2054  CG  PHE A 259       1.196 -16.377  -1.148  1.00 89.64           C  
+ATOM   2055  CD1 PHE A 259       0.038 -15.675  -1.461  1.00 89.64           C  
+ATOM   2056  CD2 PHE A 259       2.321 -15.667  -0.752  1.00 89.64           C  
+ATOM   2057  CE1 PHE A 259       0.003 -14.285  -1.380  1.00 89.64           C  
+ATOM   2058  CE2 PHE A 259       2.294 -14.278  -0.668  1.00 89.64           C  
+ATOM   2059  CZ  PHE A 259       1.134 -13.589  -0.984  1.00 89.64           C  
+ATOM   2060  N   THR A 260      -0.315 -20.757   0.393  1.00 86.16           N  
+ATOM   2061  CA  THR A 260      -0.222 -22.212   0.384  1.00 86.16           C  
+ATOM   2062  C   THR A 260      -0.991 -22.796  -0.798  1.00 86.16           C  
+ATOM   2063  CB  THR A 260      -0.758 -22.815   1.696  1.00 86.16           C  
+ATOM   2064  O   THR A 260      -0.506 -23.706  -1.473  1.00 86.16           O  
+ATOM   2065  CG2 THR A 260      -0.620 -24.333   1.701  1.00 86.16           C  
+ATOM   2066  OG1 THR A 260      -0.019 -22.275   2.799  1.00 86.16           O  
+ATOM   2067  N   ASP A 261      -2.079 -22.207  -1.126  1.00 84.61           N  
+ATOM   2068  CA  ASP A 261      -2.935 -22.736  -2.184  1.00 84.61           C  
+ATOM   2069  C   ASP A 261      -2.926 -21.821  -3.406  1.00 84.61           C  
+ATOM   2070  CB  ASP A 261      -4.366 -22.919  -1.675  1.00 84.61           C  
+ATOM   2071  O   ASP A 261      -3.799 -21.922  -4.270  1.00 84.61           O  
+ATOM   2072  CG  ASP A 261      -4.471 -23.935  -0.551  1.00 84.61           C  
+ATOM   2073  OD1 ASP A 261      -3.791 -24.983  -0.612  1.00 84.61           O  
+ATOM   2074  OD2 ASP A 261      -5.242 -23.688   0.401  1.00 84.61           O  
+ATOM   2075  N   THR A 262      -1.893 -20.946  -3.420  1.00 89.27           N  
+ATOM   2076  CA  THR A 262      -1.808 -19.979  -4.508  1.00 89.27           C  
+ATOM   2077  C   THR A 262      -0.796 -20.432  -5.557  1.00 89.27           C  
+ATOM   2078  CB  THR A 262      -1.420 -18.583  -3.986  1.00 89.27           C  
+ATOM   2079  O   THR A 262       0.295 -20.894  -5.215  1.00 89.27           O  
+ATOM   2080  CG2 THR A 262      -1.388 -17.562  -5.118  1.00 89.27           C  
+ATOM   2081  OG1 THR A 262      -2.378 -18.163  -3.006  1.00 89.27           O  
+ATOM   2082  N   SER A 263      -1.150 -20.308  -6.869  1.00 90.24           N  
+ATOM   2083  CA  SER A 263      -0.221 -20.606  -7.954  1.00 90.24           C  
+ATOM   2084  C   SER A 263       0.851 -19.528  -8.076  1.00 90.24           C  
+ATOM   2085  CB  SER A 263      -0.971 -20.743  -9.280  1.00 90.24           C  
+ATOM   2086  O   SER A 263       0.552 -18.335  -7.985  1.00 90.24           O  
+ATOM   2087  OG  SER A 263      -1.904 -21.807  -9.222  1.00 90.24           O  
+ATOM   2088  N   ILE A 264       2.089 -20.043  -8.264  1.00 93.28           N  
+ATOM   2089  CA  ILE A 264       3.193 -19.095  -8.372  1.00 93.28           C  
+ATOM   2090  C   ILE A 264       3.818 -19.186  -9.763  1.00 93.28           C  
+ATOM   2091  CB  ILE A 264       4.263 -19.349  -7.286  1.00 93.28           C  
+ATOM   2092  O   ILE A 264       4.227 -20.265 -10.197  1.00 93.28           O  
+ATOM   2093  CG1 ILE A 264       3.661 -19.165  -5.889  1.00 93.28           C  
+ATOM   2094  CG2 ILE A 264       5.468 -18.426  -7.490  1.00 93.28           C  
+ATOM   2095  CD1 ILE A 264       4.654 -19.373  -4.754  1.00 93.28           C  
+ATOM   2096  N   ILE A 265       3.878 -18.042 -10.433  1.00 95.35           N  
+ATOM   2097  CA  ILE A 265       4.498 -17.916 -11.747  1.00 95.35           C  
+ATOM   2098  C   ILE A 265       5.735 -17.025 -11.650  1.00 95.35           C  
+ATOM   2099  CB  ILE A 265       3.508 -17.347 -12.788  1.00 95.35           C  
+ATOM   2100  O   ILE A 265       5.659 -15.899 -11.154  1.00 95.35           O  
+ATOM   2101  CG1 ILE A 265       2.252 -18.222 -12.864  1.00 95.35           C  
+ATOM   2102  CG2 ILE A 265       4.177 -17.228 -14.160  1.00 95.35           C  
+ATOM   2103  CD1 ILE A 265       1.001 -17.473 -13.301  1.00 95.35           C  
+ATOM   2104  N   LEU A 266       6.803 -17.571 -12.108  1.00 96.95           N  
+ATOM   2105  CA  LEU A 266       8.063 -16.838 -12.042  1.00 96.95           C  
+ATOM   2106  C   LEU A 266       8.423 -16.252 -13.403  1.00 96.95           C  
+ATOM   2107  CB  LEU A 266       9.190 -17.752 -11.553  1.00 96.95           C  
+ATOM   2108  O   LEU A 266       8.653 -16.992 -14.362  1.00 96.95           O  
+ATOM   2109  CG  LEU A 266      10.586 -17.132 -11.489  1.00 96.95           C  
+ATOM   2110  CD1 LEU A 266      10.606 -15.974 -10.497  1.00 96.95           C  
+ATOM   2111  CD2 LEU A 266      11.622 -18.185 -11.110  1.00 96.95           C  
+ATOM   2112  N   PHE A 267       8.453 -14.896 -13.448  1.00 97.66           N  
+ATOM   2113  CA  PHE A 267       8.890 -14.193 -14.649  1.00 97.66           C  
+ATOM   2114  C   PHE A 267      10.356 -13.790 -14.536  1.00 97.66           C  
+ATOM   2115  CB  PHE A 267       8.022 -12.955 -14.895  1.00 97.66           C  
+ATOM   2116  O   PHE A 267      10.719 -12.986 -13.675  1.00 97.66           O  
+ATOM   2117  CG  PHE A 267       6.685 -13.264 -15.512  1.00 97.66           C  
+ATOM   2118  CD1 PHE A 267       6.283 -14.579 -15.711  1.00 97.66           C  
+ATOM   2119  CD2 PHE A 267       5.830 -12.238 -15.895  1.00 97.66           C  
+ATOM   2120  CE1 PHE A 267       5.046 -14.868 -16.282  1.00 97.66           C  
+ATOM   2121  CE2 PHE A 267       4.593 -12.519 -16.467  1.00 97.66           C  
+ATOM   2122  CZ  PHE A 267       4.203 -13.835 -16.660  1.00 97.66           C  
+ATOM   2123  N   LEU A 268      11.122 -14.443 -15.298  1.00 97.84           N  
+ATOM   2124  CA  LEU A 268      12.493 -13.974 -15.466  1.00 97.84           C  
+ATOM   2125  C   LEU A 268      12.588 -12.969 -16.609  1.00 97.84           C  
+ATOM   2126  CB  LEU A 268      13.434 -15.153 -15.728  1.00 97.84           C  
+ATOM   2127  O   LEU A 268      12.777 -13.353 -17.765  1.00 97.84           O  
+ATOM   2128  CG  LEU A 268      13.472 -16.242 -14.655  1.00 97.84           C  
+ATOM   2129  CD1 LEU A 268      14.404 -17.372 -15.079  1.00 97.84           C  
+ATOM   2130  CD2 LEU A 268      13.907 -15.658 -13.315  1.00 97.84           C  
+ATOM   2131  N   ASN A 269      12.469 -11.648 -16.180  1.00 97.65           N  
+ATOM   2132  CA  ASN A 269      12.215 -10.552 -17.109  1.00 97.65           C  
+ATOM   2133  C   ASN A 269      13.514  -9.919 -17.597  1.00 97.65           C  
+ATOM   2134  CB  ASN A 269      11.320  -9.494 -16.459  1.00 97.65           C  
+ATOM   2135  O   ASN A 269      14.601 -10.316 -17.174  1.00 97.65           O  
+ATOM   2136  CG  ASN A 269      10.683  -8.565 -17.473  1.00 97.65           C  
+ATOM   2137  ND2 ASN A 269      10.407  -7.334 -17.058  1.00 97.65           N  
+ATOM   2138  OD1 ASN A 269      10.439  -8.951 -18.619  1.00 97.65           O  
+ATOM   2139  N   LYS A 270      13.422  -9.118 -18.639  1.00 96.98           N  
+ATOM   2140  CA  LYS A 270      14.497  -8.344 -19.253  1.00 96.98           C  
+ATOM   2141  C   LYS A 270      15.557  -9.260 -19.860  1.00 96.98           C  
+ATOM   2142  CB  LYS A 270      15.139  -7.408 -18.228  1.00 96.98           C  
+ATOM   2143  O   LYS A 270      16.755  -9.034 -19.683  1.00 96.98           O  
+ATOM   2144  CG  LYS A 270      14.169  -6.417 -17.602  1.00 96.98           C  
+ATOM   2145  CD  LYS A 270      14.897  -5.378 -16.760  1.00 96.98           C  
+ATOM   2146  CE  LYS A 270      13.921  -4.444 -16.056  1.00 96.98           C  
+ATOM   2147  NZ  LYS A 270      14.629  -3.338 -15.345  1.00 96.98           N  
+ATOM   2148  N   LYS A 271      15.083 -10.273 -20.434  1.00 96.31           N  
+ATOM   2149  CA  LYS A 271      15.997 -11.242 -21.031  1.00 96.31           C  
+ATOM   2150  C   LYS A 271      16.818 -10.606 -22.149  1.00 96.31           C  
+ATOM   2151  CB  LYS A 271      15.225 -12.448 -21.569  1.00 96.31           C  
+ATOM   2152  O   LYS A 271      17.955 -11.013 -22.400  1.00 96.31           O  
+ATOM   2153  CG  LYS A 271      14.346 -12.134 -22.771  1.00 96.31           C  
+ATOM   2154  CD  LYS A 271      13.645 -13.382 -23.293  1.00 96.31           C  
+ATOM   2155  CE  LYS A 271      12.823 -13.083 -24.538  1.00 96.31           C  
+ATOM   2156  NZ  LYS A 271      12.174 -14.314 -25.082  1.00 96.31           N  
+ATOM   2157  N   ASP A 272      16.250  -9.612 -22.824  1.00 95.37           N  
+ATOM   2158  CA  ASP A 272      16.959  -8.914 -23.892  1.00 95.37           C  
+ATOM   2159  C   ASP A 272      18.195  -8.198 -23.353  1.00 95.37           C  
+ATOM   2160  CB  ASP A 272      16.033  -7.913 -24.586  1.00 95.37           C  
+ATOM   2161  O   ASP A 272      19.277  -8.292 -23.936  1.00 95.37           O  
+ATOM   2162  CG  ASP A 272      15.392  -6.930 -23.623  1.00 95.37           C  
+ATOM   2163  OD1 ASP A 272      14.943  -7.348 -22.534  1.00 95.37           O  
+ATOM   2164  OD2 ASP A 272      15.333  -5.727 -23.956  1.00 95.37           O  
+ATOM   2165  N   LEU A 273      18.009  -7.507 -22.246  1.00 95.33           N  
+ATOM   2166  CA  LEU A 273      19.124  -6.786 -21.643  1.00 95.33           C  
+ATOM   2167  C   LEU A 273      20.146  -7.755 -21.058  1.00 95.33           C  
+ATOM   2168  CB  LEU A 273      18.621  -5.838 -20.551  1.00 95.33           C  
+ATOM   2169  O   LEU A 273      21.353  -7.518 -21.144  1.00 95.33           O  
+ATOM   2170  CG  LEU A 273      17.707  -4.700 -21.010  1.00 95.33           C  
+ATOM   2171  CD1 LEU A 273      17.263  -3.862 -19.815  1.00 95.33           C  
+ATOM   2172  CD2 LEU A 273      18.412  -3.832 -22.046  1.00 95.33           C  
+ATOM   2173  N   PHE A 274      19.670  -8.793 -20.506  1.00 96.82           N  
+ATOM   2174  CA  PHE A 274      20.546  -9.811 -19.937  1.00 96.82           C  
+ATOM   2175  C   PHE A 274      21.435 -10.423 -21.012  1.00 96.82           C  
+ATOM   2176  CB  PHE A 274      19.724 -10.906 -19.250  1.00 96.82           C  
+ATOM   2177  O   PHE A 274      22.639 -10.593 -20.807  1.00 96.82           O  
+ATOM   2178  CG  PHE A 274      20.553 -12.042 -18.715  1.00 96.82           C  
+ATOM   2179  CD1 PHE A 274      20.549 -13.280 -19.345  1.00 96.82           C  
+ATOM   2180  CD2 PHE A 274      21.336 -11.871 -17.580  1.00 96.82           C  
+ATOM   2181  CE1 PHE A 274      21.316 -14.334 -18.852  1.00 96.82           C  
+ATOM   2182  CE2 PHE A 274      22.104 -12.919 -17.082  1.00 96.82           C  
+ATOM   2183  CZ  PHE A 274      22.092 -14.150 -17.718  1.00 96.82           C  
+ATOM   2184  N   GLU A 275      20.822 -10.747 -22.124  1.00 96.61           N  
+ATOM   2185  CA  GLU A 275      21.545 -11.368 -23.230  1.00 96.61           C  
+ATOM   2186  C   GLU A 275      22.734 -10.515 -23.661  1.00 96.61           C  
+ATOM   2187  CB  GLU A 275      20.609 -11.605 -24.418  1.00 96.61           C  
+ATOM   2188  O   GLU A 275      23.822 -11.039 -23.912  1.00 96.61           O  
+ATOM   2189  CG  GLU A 275      21.244 -12.394 -25.553  1.00 96.61           C  
+ATOM   2190  CD  GLU A 275      20.245 -12.827 -26.615  1.00 96.61           C  
+ATOM   2191  OE1 GLU A 275      20.586 -13.695 -27.450  1.00 96.61           O  
+ATOM   2192  OE2 GLU A 275      19.114 -12.292 -26.612  1.00 96.61           O  
+ATOM   2193  N   GLU A 276      22.543  -9.250 -23.668  1.00 93.97           N  
+ATOM   2194  CA  GLU A 276      23.605  -8.336 -24.081  1.00 93.97           C  
+ATOM   2195  C   GLU A 276      24.628  -8.139 -22.966  1.00 93.97           C  
+ATOM   2196  CB  GLU A 276      23.019  -6.986 -24.502  1.00 93.97           C  
+ATOM   2197  O   GLU A 276      25.835  -8.155 -23.214  1.00 93.97           O  
+ATOM   2198  CG  GLU A 276      22.210  -7.042 -25.790  1.00 93.97           C  
+ATOM   2199  CD  GLU A 276      23.019  -7.516 -26.986  1.00 93.97           C  
+ATOM   2200  OE1 GLU A 276      22.525  -8.377 -27.750  1.00 93.97           O  
+ATOM   2201  OE2 GLU A 276      24.156  -7.025 -27.161  1.00 93.97           O  
+ATOM   2202  N   LYS A 277      24.219  -8.111 -21.834  1.00 94.01           N  
+ATOM   2203  CA  LYS A 277      25.041  -7.784 -20.673  1.00 94.01           C  
+ATOM   2204  C   LYS A 277      25.950  -8.951 -20.297  1.00 94.01           C  
+ATOM   2205  CB  LYS A 277      24.162  -7.401 -19.483  1.00 94.01           C  
+ATOM   2206  O   LYS A 277      27.099  -8.747 -19.900  1.00 94.01           O  
+ATOM   2207  CG  LYS A 277      24.916  -6.724 -18.348  1.00 94.01           C  
+ATOM   2208  CD  LYS A 277      23.966  -6.199 -17.279  1.00 94.01           C  
+ATOM   2209  CE  LYS A 277      24.690  -5.321 -16.268  1.00 94.01           C  
+ATOM   2210  NZ  LYS A 277      23.746  -4.722 -15.278  1.00 94.01           N  
+ATOM   2211  N   ILE A 278      25.468 -10.147 -20.418  1.00 95.91           N  
+ATOM   2212  CA  ILE A 278      26.205 -11.334 -19.997  1.00 95.91           C  
+ATOM   2213  C   ILE A 278      27.453 -11.500 -20.861  1.00 95.91           C  
+ATOM   2214  CB  ILE A 278      25.326 -12.603 -20.077  1.00 95.91           C  
+ATOM   2215  O   ILE A 278      28.415 -12.156 -20.455  1.00 95.91           O  
+ATOM   2216  CG1 ILE A 278      26.007 -13.770 -19.352  1.00 95.91           C  
+ATOM   2217  CG2 ILE A 278      25.027 -12.962 -21.535  1.00 95.91           C  
+ATOM   2218  CD1 ILE A 278      26.209 -13.540 -17.861  1.00 95.91           C  
+ATOM   2219  N   LYS A 279      27.477 -10.857 -22.014  1.00 94.24           N  
+ATOM   2220  CA  LYS A 279      28.640 -10.894 -22.896  1.00 94.24           C  
+ATOM   2221  C   LYS A 279      29.780 -10.048 -22.336  1.00 94.24           C  
+ATOM   2222  CB  LYS A 279      28.267 -10.409 -24.298  1.00 94.24           C  
+ATOM   2223  O   LYS A 279      30.953 -10.325 -22.598  1.00 94.24           O  
+ATOM   2224  CG  LYS A 279      27.252 -11.292 -25.008  1.00 94.24           C  
+ATOM   2225  CD  LYS A 279      26.864 -10.718 -26.365  1.00 94.24           C  
+ATOM   2226  CE  LYS A 279      25.797 -11.564 -27.046  1.00 94.24           C  
+ATOM   2227  NZ  LYS A 279      25.359 -10.964 -28.342  1.00 94.24           N  
+ATOM   2228  N   LYS A 280      29.478  -9.124 -21.477  1.00 91.63           N  
+ATOM   2229  CA  LYS A 280      30.480  -8.167 -21.017  1.00 91.63           C  
+ATOM   2230  C   LYS A 280      30.733  -8.313 -19.519  1.00 91.63           C  
+ATOM   2231  CB  LYS A 280      30.045  -6.736 -21.338  1.00 91.63           C  
+ATOM   2232  O   LYS A 280      31.802  -7.947 -19.026  1.00 91.63           O  
+ATOM   2233  CG  LYS A 280      29.800  -6.481 -22.818  1.00 91.63           C  
+ATOM   2234  CD  LYS A 280      29.240  -5.085 -23.059  1.00 91.63           C  
+ATOM   2235  CE  LYS A 280      28.879  -4.872 -24.523  1.00 91.63           C  
+ATOM   2236  NZ  LYS A 280      28.282  -3.523 -24.756  1.00 91.63           N  
+ATOM   2237  N   SER A 281      29.804  -8.782 -18.781  1.00 93.09           N  
+ATOM   2238  CA  SER A 281      29.892  -8.922 -17.331  1.00 93.09           C  
+ATOM   2239  C   SER A 281      29.602 -10.354 -16.896  1.00 93.09           C  
+ATOM   2240  CB  SER A 281      28.921  -7.964 -16.640  1.00 93.09           C  
+ATOM   2241  O   SER A 281      28.502 -10.865 -17.115  1.00 93.09           O  
+ATOM   2242  OG  SER A 281      29.063  -8.033 -15.232  1.00 93.09           O  
+ATOM   2243  N   PRO A 282      30.595 -10.959 -16.236  1.00 94.76           N  
+ATOM   2244  CA  PRO A 282      30.447 -12.367 -15.860  1.00 94.76           C  
+ATOM   2245  C   PRO A 282      29.397 -12.580 -14.773  1.00 94.76           C  
+ATOM   2246  CB  PRO A 282      31.842 -12.744 -15.354  1.00 94.76           C  
+ATOM   2247  O   PRO A 282      29.200 -11.711 -13.919  1.00 94.76           O  
+ATOM   2248  CG  PRO A 282      32.440 -11.457 -14.887  1.00 94.76           C  
+ATOM   2249  CD  PRO A 282      31.915 -10.346 -15.751  1.00 94.76           C  
+ATOM   2250  N   LEU A 283      28.815 -13.762 -14.822  1.00 96.36           N  
+ATOM   2251  CA  LEU A 283      27.784 -14.112 -13.852  1.00 96.36           C  
+ATOM   2252  C   LEU A 283      28.386 -14.300 -12.463  1.00 96.36           C  
+ATOM   2253  CB  LEU A 283      27.054 -15.387 -14.282  1.00 96.36           C  
+ATOM   2254  O   LEU A 283      27.674 -14.232 -11.459  1.00 96.36           O  
+ATOM   2255  CG  LEU A 283      25.800 -15.751 -13.485  1.00 96.36           C  
+ATOM   2256  CD1 LEU A 283      24.764 -14.636 -13.589  1.00 96.36           C  
+ATOM   2257  CD2 LEU A 283      25.220 -17.074 -13.975  1.00 96.36           C  
+ATOM   2258  N   THR A 284      29.635 -14.518 -12.376  1.00 95.54           N  
+ATOM   2259  CA  THR A 284      30.353 -14.787 -11.135  1.00 95.54           C  
+ATOM   2260  C   THR A 284      30.310 -13.574 -10.211  1.00 95.54           C  
+ATOM   2261  CB  THR A 284      31.818 -15.174 -11.411  1.00 95.54           C  
+ATOM   2262  O   THR A 284      30.529 -13.698  -9.004  1.00 95.54           O  
+ATOM   2263  CG2 THR A 284      31.909 -16.541 -12.082  1.00 95.54           C  
+ATOM   2264  OG1 THR A 284      32.413 -14.192 -12.268  1.00 95.54           O  
+ATOM   2265  N   ILE A 285      30.000 -12.466 -10.703  1.00 92.91           N  
+ATOM   2266  CA  ILE A 285      29.864 -11.269  -9.881  1.00 92.91           C  
+ATOM   2267  C   ILE A 285      28.783 -11.488  -8.825  1.00 92.91           C  
+ATOM   2268  CB  ILE A 285      29.531 -10.028 -10.740  1.00 92.91           C  
+ATOM   2269  O   ILE A 285      28.940 -11.080  -7.672  1.00 92.91           O  
+ATOM   2270  CG1 ILE A 285      30.740  -9.630 -11.594  1.00 92.91           C  
+ATOM   2271  CG2 ILE A 285      29.079  -8.863  -9.854  1.00 92.91           C  
+ATOM   2272  CD1 ILE A 285      30.448  -8.531 -12.606  1.00 92.91           C  
+ATOM   2273  N   CYS A 286      27.772 -12.047  -9.306  1.00 94.99           N  
+ATOM   2274  CA  CYS A 286      26.659 -12.324  -8.404  1.00 94.99           C  
+ATOM   2275  C   CYS A 286      26.776 -13.721  -7.807  1.00 94.99           C  
+ATOM   2276  CB  CYS A 286      25.326 -12.182  -9.138  1.00 94.99           C  
+ATOM   2277  O   CYS A 286      26.431 -13.934  -6.643  1.00 94.99           O  
+ATOM   2278  SG  CYS A 286      23.883 -12.426  -8.079  1.00 94.99           S  
+ATOM   2279  N   TYR A 287      27.246 -14.652  -8.563  1.00 95.54           N  
+ATOM   2280  CA  TYR A 287      27.390 -16.050  -8.173  1.00 95.54           C  
+ATOM   2281  C   TYR A 287      28.842 -16.500  -8.285  1.00 95.54           C  
+ATOM   2282  CB  TYR A 287      26.498 -16.944  -9.039  1.00 95.54           C  
+ATOM   2283  O   TYR A 287      29.243 -17.075  -9.299  1.00 95.54           O  
+ATOM   2284  CG  TYR A 287      25.040 -16.555  -9.012  1.00 95.54           C  
+ATOM   2285  CD1 TYR A 287      24.236 -16.866  -7.918  1.00 95.54           C  
+ATOM   2286  CD2 TYR A 287      24.462 -15.878 -10.081  1.00 95.54           C  
+ATOM   2287  CE1 TYR A 287      22.891 -16.511  -7.889  1.00 95.54           C  
+ATOM   2288  CE2 TYR A 287      23.119 -15.518 -10.063  1.00 95.54           C  
+ATOM   2289  OH  TYR A 287      21.012 -15.485  -8.941  1.00 95.54           O  
+ATOM   2290  CZ  TYR A 287      22.343 -15.838  -8.964  1.00 95.54           C  
+ATOM   2291  N   PRO A 288      29.600 -16.335  -7.221  1.00 94.49           N  
+ATOM   2292  CA  PRO A 288      31.029 -16.653  -7.276  1.00 94.49           C  
+ATOM   2293  C   PRO A 288      31.294 -18.134  -7.533  1.00 94.49           C  
+ATOM   2294  CB  PRO A 288      31.535 -16.240  -5.891  1.00 94.49           C  
+ATOM   2295  O   PRO A 288      32.318 -18.489  -8.123  1.00 94.49           O  
+ATOM   2296  CG  PRO A 288      30.565 -15.204  -5.423  1.00 94.49           C  
+ATOM   2297  CD  PRO A 288      29.209 -15.537  -5.975  1.00 94.49           C  
+ATOM   2298  N   GLU A 289      30.308 -18.938  -7.240  1.00 93.63           N  
+ATOM   2299  CA  GLU A 289      30.470 -20.383  -7.368  1.00 93.63           C  
+ATOM   2300  C   GLU A 289      30.074 -20.862  -8.761  1.00 93.63           C  
+ATOM   2301  CB  GLU A 289      29.644 -21.113  -6.306  1.00 93.63           C  
+ATOM   2302  O   GLU A 289      30.206 -22.046  -9.077  1.00 93.63           O  
+ATOM   2303  CG  GLU A 289      28.151 -20.831  -6.388  1.00 93.63           C  
+ATOM   2304  CD  GLU A 289      27.741 -19.554  -5.672  1.00 93.63           C  
+ATOM   2305  OE1 GLU A 289      26.523 -19.309  -5.518  1.00 93.63           O  
+ATOM   2306  OE2 GLU A 289      28.645 -18.792  -5.263  1.00 93.63           O  
+ATOM   2307  N   TYR A 290      29.604 -20.063  -9.598  1.00 94.73           N  
+ATOM   2308  CA  TYR A 290      29.165 -20.417 -10.943  1.00 94.73           C  
+ATOM   2309  C   TYR A 290      30.348 -20.828 -11.812  1.00 94.73           C  
+ATOM   2310  CB  TYR A 290      28.424 -19.245 -11.593  1.00 94.73           C  
+ATOM   2311  O   TYR A 290      31.327 -20.088 -11.929  1.00 94.73           O  
+ATOM   2312  CG  TYR A 290      27.960 -19.526 -13.002  1.00 94.73           C  
+ATOM   2313  CD1 TYR A 290      28.498 -18.834 -14.084  1.00 94.73           C  
+ATOM   2314  CD2 TYR A 290      26.982 -20.482 -13.253  1.00 94.73           C  
+ATOM   2315  CE1 TYR A 290      28.073 -19.088 -15.384  1.00 94.73           C  
+ATOM   2316  CE2 TYR A 290      26.549 -20.744 -14.549  1.00 94.73           C  
+ATOM   2317  OH  TYR A 290      26.675 -20.299 -16.890  1.00 94.73           O  
+ATOM   2318  CZ  TYR A 290      27.100 -20.044 -15.606  1.00 94.73           C  
+ATOM   2319  N   ALA A 291      30.296 -22.062 -12.347  1.00 93.27           N  
+ATOM   2320  CA  ALA A 291      31.412 -22.608 -13.117  1.00 93.27           C  
+ATOM   2321  C   ALA A 291      31.059 -22.708 -14.598  1.00 93.27           C  
+ATOM   2322  CB  ALA A 291      31.812 -23.978 -12.575  1.00 93.27           C  
+ATOM   2323  O   ALA A 291      31.883 -23.133 -15.411  1.00 93.27           O  
+ATOM   2324  N   GLY A 292      29.828 -22.321 -14.964  1.00 91.22           N  
+ATOM   2325  CA  GLY A 292      29.391 -22.414 -16.347  1.00 91.22           C  
+ATOM   2326  C   GLY A 292      29.900 -21.276 -17.212  1.00 91.22           C  
+ATOM   2327  O   GLY A 292      30.568 -20.365 -16.718  1.00 91.22           O  
+ATOM   2328  N   SER A 293      29.599 -21.399 -18.573  1.00 92.76           N  
+ATOM   2329  CA  SER A 293      30.005 -20.360 -19.514  1.00 92.76           C  
+ATOM   2330  C   SER A 293      29.088 -19.145 -19.425  1.00 92.76           C  
+ATOM   2331  CB  SER A 293      30.010 -20.903 -20.943  1.00 92.76           C  
+ATOM   2332  O   SER A 293      27.965 -19.243 -18.926  1.00 92.76           O  
+ATOM   2333  OG  SER A 293      28.715 -21.341 -21.319  1.00 92.76           O  
+ATOM   2334  N   ASN A 294      29.554 -18.011 -19.751  1.00 93.65           N  
+ATOM   2335  CA  ASN A 294      28.795 -16.765 -19.738  1.00 93.65           C  
+ATOM   2336  C   ASN A 294      27.955 -16.607 -21.002  1.00 93.65           C  
+ATOM   2337  CB  ASN A 294      29.733 -15.568 -19.570  1.00 93.65           C  
+ATOM   2338  O   ASN A 294      27.810 -15.499 -21.521  1.00 93.65           O  
+ATOM   2339  CG  ASN A 294      30.246 -15.422 -18.151  1.00 93.65           C  
+ATOM   2340  ND2 ASN A 294      31.518 -15.067 -18.014  1.00 93.65           N  
+ATOM   2341  OD1 ASN A 294      29.505 -15.628 -17.186  1.00 93.65           O  
+ATOM   2342  N   THR A 295      27.361 -17.788 -21.415  1.00 94.80           N  
+ATOM   2343  CA  THR A 295      26.385 -17.762 -22.498  1.00 94.80           C  
+ATOM   2344  C   THR A 295      24.974 -17.567 -21.949  1.00 94.80           C  
+ATOM   2345  CB  THR A 295      26.441 -19.055 -23.332  1.00 94.80           C  
+ATOM   2346  O   THR A 295      24.705 -17.882 -20.788  1.00 94.80           O  
+ATOM   2347  CG2 THR A 295      27.834 -19.277 -23.910  1.00 94.80           C  
+ATOM   2348  OG1 THR A 295      26.099 -20.169 -22.498  1.00 94.80           O  
+ATOM   2349  N   TYR A 296      24.170 -16.917 -22.766  1.00 95.64           N  
+ATOM   2350  CA  TYR A 296      22.797 -16.650 -22.354  1.00 95.64           C  
+ATOM   2351  C   TYR A 296      22.119 -17.922 -21.859  1.00 95.64           C  
+ATOM   2352  CB  TYR A 296      21.995 -16.047 -23.511  1.00 95.64           C  
+ATOM   2353  O   TYR A 296      21.556 -17.947 -20.762  1.00 95.64           O  
+ATOM   2354  CG  TYR A 296      20.508 -15.992 -23.256  1.00 95.64           C  
+ATOM   2355  CD1 TYR A 296      19.651 -16.940 -23.810  1.00 95.64           C  
+ATOM   2356  CD2 TYR A 296      19.958 -14.992 -22.462  1.00 95.64           C  
+ATOM   2357  CE1 TYR A 296      18.280 -16.892 -23.580  1.00 95.64           C  
+ATOM   2358  CE2 TYR A 296      18.589 -14.934 -22.225  1.00 95.64           C  
+ATOM   2359  OH  TYR A 296      16.403 -15.834 -22.555  1.00 95.64           O  
+ATOM   2360  CZ  TYR A 296      17.759 -15.887 -22.787  1.00 95.64           C  
+ATOM   2361  N   GLU A 297      22.186 -18.973 -22.543  1.00 95.26           N  
+ATOM   2362  CA  GLU A 297      21.464 -20.212 -22.269  1.00 95.26           C  
+ATOM   2363  C   GLU A 297      21.895 -20.819 -20.937  1.00 95.26           C  
+ATOM   2364  CB  GLU A 297      21.678 -21.221 -23.400  1.00 95.26           C  
+ATOM   2365  O   GLU A 297      21.055 -21.124 -20.087  1.00 95.26           O  
+ATOM   2366  CG  GLU A 297      21.059 -20.799 -24.725  1.00 95.26           C  
+ATOM   2367  CD  GLU A 297      21.891 -19.771 -25.476  1.00 95.26           C  
+ATOM   2368  OE1 GLU A 297      21.354 -19.110 -26.394  1.00 95.26           O  
+ATOM   2369  OE2 GLU A 297      23.089 -19.627 -25.144  1.00 95.26           O  
+ATOM   2370  N   GLU A 298      23.231 -20.885 -20.673  1.00 95.72           N  
+ATOM   2371  CA  GLU A 298      23.735 -21.527 -19.463  1.00 95.72           C  
+ATOM   2372  C   GLU A 298      23.512 -20.647 -18.237  1.00 95.72           C  
+ATOM   2373  CB  GLU A 298      25.222 -21.858 -19.610  1.00 95.72           C  
+ATOM   2374  O   GLU A 298      23.076 -21.130 -17.190  1.00 95.72           O  
+ATOM   2375  CG  GLU A 298      25.501 -23.051 -20.513  1.00 95.72           C  
+ATOM   2376  CD  GLU A 298      26.919 -23.583 -20.383  1.00 95.72           C  
+ATOM   2377  OE1 GLU A 298      27.337 -24.411 -21.225  1.00 95.72           O  
+ATOM   2378  OE2 GLU A 298      27.619 -23.170 -19.431  1.00 95.72           O  
+ATOM   2379  N   ALA A 299      23.753 -19.385 -18.430  1.00 96.69           N  
+ATOM   2380  CA  ALA A 299      23.617 -18.451 -17.315  1.00 96.69           C  
+ATOM   2381  C   ALA A 299      22.156 -18.301 -16.901  1.00 96.69           C  
+ATOM   2382  CB  ALA A 299      24.204 -17.091 -17.685  1.00 96.69           C  
+ATOM   2383  O   ALA A 299      21.836 -18.329 -15.710  1.00 96.69           O  
+ATOM   2384  N   ALA A 300      21.258 -18.138 -17.907  1.00 96.90           N  
+ATOM   2385  CA  ALA A 300      19.830 -18.000 -17.629  1.00 96.90           C  
+ATOM   2386  C   ALA A 300      19.281 -19.251 -16.949  1.00 96.90           C  
+ATOM   2387  CB  ALA A 300      19.062 -17.719 -18.918  1.00 96.90           C  
+ATOM   2388  O   ALA A 300      18.505 -19.155 -15.995  1.00 96.90           O  
+ATOM   2389  N   ALA A 301      19.692 -20.404 -17.403  1.00 96.70           N  
+ATOM   2390  CA  ALA A 301      19.265 -21.670 -16.813  1.00 96.70           C  
+ATOM   2391  C   ALA A 301      19.725 -21.783 -15.363  1.00 96.70           C  
+ATOM   2392  CB  ALA A 301      19.798 -22.845 -17.630  1.00 96.70           C  
+ATOM   2393  O   ALA A 301      18.986 -22.276 -14.507  1.00 96.70           O  
+ATOM   2394  N   TYR A 302      20.915 -21.306 -15.124  1.00 97.20           N  
+ATOM   2395  CA  TYR A 302      21.455 -21.330 -13.769  1.00 97.20           C  
+ATOM   2396  C   TYR A 302      20.624 -20.459 -12.835  1.00 97.20           C  
+ATOM   2397  CB  TYR A 302      22.913 -20.859 -13.763  1.00 97.20           C  
+ATOM   2398  O   TYR A 302      20.273 -20.881 -11.731  1.00 97.20           O  
+ATOM   2399  CG  TYR A 302      23.572 -20.941 -12.408  1.00 97.20           C  
+ATOM   2400  CD1 TYR A 302      23.639 -19.826 -11.575  1.00 97.20           C  
+ATOM   2401  CD2 TYR A 302      24.129 -22.133 -11.957  1.00 97.20           C  
+ATOM   2402  CE1 TYR A 302      24.247 -19.897 -10.326  1.00 97.20           C  
+ATOM   2403  CE2 TYR A 302      24.739 -22.215 -10.710  1.00 97.20           C  
+ATOM   2404  OH  TYR A 302      25.396 -21.169  -8.667  1.00 97.20           O  
+ATOM   2405  CZ  TYR A 302      24.793 -21.094  -9.903  1.00 97.20           C  
+ATOM   2406  N   ILE A 303      20.368 -19.284 -13.281  1.00 97.41           N  
+ATOM   2407  CA  ILE A 303      19.575 -18.369 -12.467  1.00 97.41           C  
+ATOM   2408  C   ILE A 303      18.194 -18.971 -12.212  1.00 97.41           C  
+ATOM   2409  CB  ILE A 303      19.440 -16.985 -13.140  1.00 97.41           C  
+ATOM   2410  O   ILE A 303      17.681 -18.911 -11.093  1.00 97.41           O  
+ATOM   2411  CG1 ILE A 303      20.801 -16.282 -13.192  1.00 97.41           C  
+ATOM   2412  CG2 ILE A 303      18.407 -16.126 -12.406  1.00 97.41           C  
+ATOM   2413  CD1 ILE A 303      20.787 -14.959 -13.946  1.00 97.41           C  
+ATOM   2414  N   GLN A 304      17.630 -19.510 -13.261  1.00 97.13           N  
+ATOM   2415  CA  GLN A 304      16.346 -20.185 -13.112  1.00 97.13           C  
+ATOM   2416  C   GLN A 304      16.404 -21.243 -12.014  1.00 97.13           C  
+ATOM   2417  CB  GLN A 304      15.918 -20.824 -14.434  1.00 97.13           C  
+ATOM   2418  O   GLN A 304      15.538 -21.285 -11.137  1.00 97.13           O  
+ATOM   2419  CG  GLN A 304      14.602 -21.586 -14.351  1.00 97.13           C  
+ATOM   2420  CD  GLN A 304      14.220 -22.242 -15.665  1.00 97.13           C  
+ATOM   2421  NE2 GLN A 304      13.190 -23.080 -15.631  1.00 97.13           N  
+ATOM   2422  OE1 GLN A 304      14.845 -21.997 -16.701  1.00 97.13           O  
+ATOM   2423  N   CYS A 305      17.388 -22.048 -12.025  1.00 95.99           N  
+ATOM   2424  CA  CYS A 305      17.557 -23.113 -11.042  1.00 95.99           C  
+ATOM   2425  C   CYS A 305      17.700 -22.540  -9.637  1.00 95.99           C  
+ATOM   2426  CB  CYS A 305      18.777 -23.967 -11.381  1.00 95.99           C  
+ATOM   2427  O   CYS A 305      17.152 -23.089  -8.679  1.00 95.99           O  
+ATOM   2428  SG  CYS A 305      18.525 -25.071 -12.788  1.00 95.99           S  
+ATOM   2429  N   GLN A 306      18.377 -21.467  -9.535  1.00 96.88           N  
+ATOM   2430  CA  GLN A 306      18.566 -20.839  -8.232  1.00 96.88           C  
+ATOM   2431  C   GLN A 306      17.229 -20.445  -7.612  1.00 96.88           C  
+ATOM   2432  CB  GLN A 306      19.471 -19.612  -8.352  1.00 96.88           C  
+ATOM   2433  O   GLN A 306      17.001 -20.668  -6.421  1.00 96.88           O  
+ATOM   2434  CG  GLN A 306      20.914 -19.944  -8.706  1.00 96.88           C  
+ATOM   2435  CD  GLN A 306      21.584 -20.828  -7.670  1.00 96.88           C  
+ATOM   2436  NE2 GLN A 306      22.200 -21.913  -8.125  1.00 96.88           N  
+ATOM   2437  OE1 GLN A 306      21.548 -20.536  -6.470  1.00 96.88           O  
+ATOM   2438  N   PHE A 307      16.375 -19.949  -8.373  1.00 97.15           N  
+ATOM   2439  CA  PHE A 307      15.077 -19.514  -7.870  1.00 97.15           C  
+ATOM   2440  C   PHE A 307      14.174 -20.711  -7.598  1.00 97.15           C  
+ATOM   2441  CB  PHE A 307      14.405 -18.564  -8.866  1.00 97.15           C  
+ATOM   2442  O   PHE A 307      13.489 -20.758  -6.574  1.00 97.15           O  
+ATOM   2443  CG  PHE A 307      14.822 -17.126  -8.709  1.00 97.15           C  
+ATOM   2444  CD1 PHE A 307      14.151 -16.285  -7.830  1.00 97.15           C  
+ATOM   2445  CD2 PHE A 307      15.885 -16.616  -9.443  1.00 97.15           C  
+ATOM   2446  CE1 PHE A 307      14.535 -14.954  -7.683  1.00 97.15           C  
+ATOM   2447  CE2 PHE A 307      16.274 -15.287  -9.302  1.00 97.15           C  
+ATOM   2448  CZ  PHE A 307      15.597 -14.458  -8.422  1.00 97.15           C  
+ATOM   2449  N   GLU A 308      14.207 -21.604  -8.472  1.00 95.36           N  
+ATOM   2450  CA  GLU A 308      13.367 -22.786  -8.299  1.00 95.36           C  
+ATOM   2451  C   GLU A 308      13.782 -23.581  -7.064  1.00 95.36           C  
+ATOM   2452  CB  GLU A 308      13.428 -23.676  -9.543  1.00 95.36           C  
+ATOM   2453  O   GLU A 308      12.939 -24.182  -6.394  1.00 95.36           O  
+ATOM   2454  CG  GLU A 308      12.686 -23.107 -10.743  1.00 95.36           C  
+ATOM   2455  CD  GLU A 308      12.819 -23.963 -11.992  1.00 95.36           C  
+ATOM   2456  OE1 GLU A 308      12.089 -23.716 -12.979  1.00 95.36           O  
+ATOM   2457  OE2 GLU A 308      13.661 -24.889 -11.984  1.00 95.36           O  
+ATOM   2458  N   ASP A 309      15.004 -23.559  -6.725  1.00 95.47           N  
+ATOM   2459  CA  ASP A 309      15.535 -24.297  -5.583  1.00 95.47           C  
+ATOM   2460  C   ASP A 309      15.102 -23.656  -4.266  1.00 95.47           C  
+ATOM   2461  CB  ASP A 309      17.062 -24.371  -5.655  1.00 95.47           C  
+ATOM   2462  O   ASP A 309      15.199 -24.278  -3.206  1.00 95.47           O  
+ATOM   2463  CG  ASP A 309      17.559 -25.374  -6.681  1.00 95.47           C  
+ATOM   2464  OD1 ASP A 309      16.757 -26.205  -7.160  1.00 95.47           O  
+ATOM   2465  OD2 ASP A 309      18.764 -25.335  -7.012  1.00 95.47           O  
+ATOM   2466  N   LEU A 310      14.628 -22.455  -4.376  1.00 95.45           N  
+ATOM   2467  CA  LEU A 310      14.183 -21.762  -3.172  1.00 95.45           C  
+ATOM   2468  C   LEU A 310      12.803 -22.251  -2.743  1.00 95.45           C  
+ATOM   2469  CB  LEU A 310      14.152 -20.249  -3.403  1.00 95.45           C  
+ATOM   2470  O   LEU A 310      12.356 -21.962  -1.631  1.00 95.45           O  
+ATOM   2471  CG  LEU A 310      15.507 -19.561  -3.569  1.00 95.45           C  
+ATOM   2472  CD1 LEU A 310      15.315 -18.094  -3.941  1.00 95.45           C  
+ATOM   2473  CD2 LEU A 310      16.332 -19.690  -2.293  1.00 95.45           C  
+ATOM   2474  N   ASN A 311      12.155 -22.972  -3.621  1.00 93.83           N  
+ATOM   2475  CA  ASN A 311      10.865 -23.580  -3.312  1.00 93.83           C  
+ATOM   2476  C   ASN A 311      11.021 -24.797  -2.405  1.00 93.83           C  
+ATOM   2477  CB  ASN A 311      10.133 -23.967  -4.599  1.00 93.83           C  
+ATOM   2478  O   ASN A 311      11.449 -25.861  -2.855  1.00 93.83           O  
+ATOM   2479  CG  ASN A 311       8.764 -24.562  -4.334  1.00 93.83           C  
+ATOM   2480  ND2 ASN A 311       8.201 -25.223  -5.339  1.00 93.83           N  
+ATOM   2481  OD1 ASN A 311       8.216 -24.429  -3.237  1.00 93.83           O  
+ATOM   2482  N   LYS A 312      10.610 -24.654  -1.187  1.00 91.47           N  
+ATOM   2483  CA  LYS A 312      10.788 -25.689  -0.172  1.00 91.47           C  
+ATOM   2484  C   LYS A 312       9.672 -26.728  -0.244  1.00 91.47           C  
+ATOM   2485  CB  LYS A 312      10.839 -25.069   1.225  1.00 91.47           C  
+ATOM   2486  O   LYS A 312       9.786 -27.809   0.337  1.00 91.47           O  
+ATOM   2487  CG  LYS A 312      12.032 -24.154   1.453  1.00 91.47           C  
+ATOM   2488  CD  LYS A 312      11.998 -23.526   2.841  1.00 91.47           C  
+ATOM   2489  CE  LYS A 312      13.174 -22.583   3.058  1.00 91.47           C  
+ATOM   2490  NZ  LYS A 312      13.098 -21.900   4.384  1.00 91.47           N  
+ATOM   2491  N   ARG A 313       8.645 -26.502  -1.003  1.00 87.35           N  
+ATOM   2492  CA  ARG A 313       7.504 -27.397  -1.168  1.00 87.35           C  
+ATOM   2493  C   ARG A 313       7.398 -27.889  -2.607  1.00 87.35           C  
+ATOM   2494  CB  ARG A 313       6.207 -26.696  -0.757  1.00 87.35           C  
+ATOM   2495  O   ARG A 313       6.333 -27.804  -3.222  1.00 87.35           O  
+ATOM   2496  CG  ARG A 313       6.188 -26.235   0.691  1.00 87.35           C  
+ATOM   2497  CD  ARG A 313       4.926 -25.448   1.016  1.00 87.35           C  
+ATOM   2498  NE  ARG A 313       5.029 -24.773   2.307  1.00 87.35           N  
+ATOM   2499  NH1 ARG A 313       2.919 -23.835   2.217  1.00 87.35           N  
+ATOM   2500  NH2 ARG A 313       4.273 -23.453   4.027  1.00 87.35           N  
+ATOM   2501  CZ  ARG A 313       4.073 -24.022   2.847  1.00 87.35           C  
+ATOM   2502  N   LYS A 314       8.487 -28.493  -3.120  1.00 85.07           N  
+ATOM   2503  CA  LYS A 314       8.567 -28.888  -4.524  1.00 85.07           C  
+ATOM   2504  C   LYS A 314       7.583 -30.012  -4.835  1.00 85.07           C  
+ATOM   2505  CB  LYS A 314       9.989 -29.324  -4.878  1.00 85.07           C  
+ATOM   2506  O   LYS A 314       7.144 -30.161  -5.977  1.00 85.07           O  
+ATOM   2507  CG  LYS A 314      10.995 -28.183  -4.918  1.00 85.07           C  
+ATOM   2508  CD  LYS A 314      12.366 -28.662  -5.377  1.00 85.07           C  
+ATOM   2509  CE  LYS A 314      13.382 -27.528  -5.385  1.00 85.07           C  
+ATOM   2510  NZ  LYS A 314      14.716 -27.982  -5.880  1.00 85.07           N  
+ATOM   2511  N   ASP A 315       7.173 -30.697  -3.763  1.00 83.62           N  
+ATOM   2512  CA  ASP A 315       6.320 -31.865  -3.956  1.00 83.62           C  
+ATOM   2513  C   ASP A 315       4.857 -31.457  -4.113  1.00 83.62           C  
+ATOM   2514  CB  ASP A 315       6.472 -32.839  -2.785  1.00 83.62           C  
+ATOM   2515  O   ASP A 315       4.086 -32.141  -4.789  1.00 83.62           O  
+ATOM   2516  CG  ASP A 315       6.296 -32.172  -1.432  1.00 83.62           C  
+ATOM   2517  OD1 ASP A 315       6.763 -31.026  -1.252  1.00 83.62           O  
+ATOM   2518  OD2 ASP A 315       5.689 -32.798  -0.537  1.00 83.62           O  
+ATOM   2519  N   THR A 316       4.554 -30.333  -3.622  1.00 83.73           N  
+ATOM   2520  CA  THR A 316       3.142 -29.965  -3.618  1.00 83.73           C  
+ATOM   2521  C   THR A 316       2.913 -28.692  -4.427  1.00 83.73           C  
+ATOM   2522  CB  THR A 316       2.622 -29.765  -2.182  1.00 83.73           C  
+ATOM   2523  O   THR A 316       1.803 -28.444  -4.903  1.00 83.73           O  
+ATOM   2524  CG2 THR A 316       2.643 -31.075  -1.402  1.00 83.73           C  
+ATOM   2525  OG1 THR A 316       3.449 -28.807  -1.510  1.00 83.73           O  
+ATOM   2526  N   LYS A 317       3.994 -27.959  -4.611  1.00 83.85           N  
+ATOM   2527  CA  LYS A 317       3.825 -26.653  -5.243  1.00 83.85           C  
+ATOM   2528  C   LYS A 317       4.774 -26.488  -6.426  1.00 83.85           C  
+ATOM   2529  CB  LYS A 317       4.052 -25.532  -4.228  1.00 83.85           C  
+ATOM   2530  O   LYS A 317       5.995 -26.475  -6.252  1.00 83.85           O  
+ATOM   2531  CG  LYS A 317       3.635 -24.155  -4.723  1.00 83.85           C  
+ATOM   2532  CD  LYS A 317       3.637 -23.131  -3.596  1.00 83.85           C  
+ATOM   2533  CE  LYS A 317       3.128 -21.776  -4.069  1.00 83.85           C  
+ATOM   2534  NZ  LYS A 317       2.963 -20.820  -2.934  1.00 83.85           N  
+ATOM   2535  N   GLU A 318       4.200 -26.388  -7.512  1.00 86.91           N  
+ATOM   2536  CA  GLU A 318       4.986 -26.221  -8.730  1.00 86.91           C  
+ATOM   2537  C   GLU A 318       5.106 -24.748  -9.112  1.00 86.91           C  
+ATOM   2538  CB  GLU A 318       4.367 -27.014  -9.884  1.00 86.91           C  
+ATOM   2539  O   GLU A 318       4.120 -24.008  -9.069  1.00 86.91           O  
+ATOM   2540  CG  GLU A 318       5.243 -27.080 -11.126  1.00 86.91           C  
+ATOM   2541  CD  GLU A 318       4.670 -27.968 -12.219  1.00 86.91           C  
+ATOM   2542  OE1 GLU A 318       5.371 -28.222 -13.224  1.00 86.91           O  
+ATOM   2543  OE2 GLU A 318       3.510 -28.412 -12.069  1.00 86.91           O  
+ATOM   2544  N   ILE A 319       6.347 -24.317  -9.423  1.00 92.06           N  
+ATOM   2545  CA  ILE A 319       6.611 -22.960  -9.888  1.00 92.06           C  
+ATOM   2546  C   ILE A 319       6.733 -22.951 -11.410  1.00 92.06           C  
+ATOM   2547  CB  ILE A 319       7.890 -22.380  -9.244  1.00 92.06           C  
+ATOM   2548  O   ILE A 319       7.545 -23.684 -11.978  1.00 92.06           O  
+ATOM   2549  CG1 ILE A 319       7.728 -22.289  -7.723  1.00 92.06           C  
+ATOM   2550  CG2 ILE A 319       8.222 -21.009  -9.842  1.00 92.06           C  
+ATOM   2551  CD1 ILE A 319       8.992 -21.861  -6.990  1.00 92.06           C  
+ATOM   2552  N   TYR A 320       5.883 -22.108 -12.050  1.00 92.31           N  
+ATOM   2553  CA  TYR A 320       5.924 -21.970 -13.502  1.00 92.31           C  
+ATOM   2554  C   TYR A 320       6.826 -20.813 -13.914  1.00 92.31           C  
+ATOM   2555  CB  TYR A 320       4.514 -21.758 -14.062  1.00 92.31           C  
+ATOM   2556  O   TYR A 320       6.522 -19.651 -13.634  1.00 92.31           O  
+ATOM   2557  CG  TYR A 320       3.554 -22.874 -13.728  1.00 92.31           C  
+ATOM   2558  CD1 TYR A 320       3.434 -23.987 -14.558  1.00 92.31           C  
+ATOM   2559  CD2 TYR A 320       2.765 -22.818 -12.585  1.00 92.31           C  
+ATOM   2560  CE1 TYR A 320       2.550 -25.017 -14.255  1.00 92.31           C  
+ATOM   2561  CE2 TYR A 320       1.877 -23.842 -12.273  1.00 92.31           C  
+ATOM   2562  OH  TYR A 320       0.900 -25.953 -12.808  1.00 92.31           O  
+ATOM   2563  CZ  TYR A 320       1.777 -24.936 -13.112  1.00 92.31           C  
+ATOM   2564  N   THR A 321       7.864 -21.196 -14.587  1.00 95.50           N  
+ATOM   2565  CA  THR A 321       8.882 -20.199 -14.900  1.00 95.50           C  
+ATOM   2566  C   THR A 321       8.851 -19.843 -16.383  1.00 95.50           C  
+ATOM   2567  CB  THR A 321      10.288 -20.698 -14.519  1.00 95.50           C  
+ATOM   2568  O   THR A 321       8.769 -20.727 -17.238  1.00 95.50           O  
+ATOM   2569  CG2 THR A 321      11.336 -19.613 -14.743  1.00 95.50           C  
+ATOM   2570  OG1 THR A 321      10.296 -21.076 -13.136  1.00 95.50           O  
+ATOM   2571  N   HIS A 322       8.936 -18.507 -16.672  1.00 96.21           N  
+ATOM   2572  CA  HIS A 322       8.954 -17.998 -18.039  1.00 96.21           C  
+ATOM   2573  C   HIS A 322      10.004 -16.904 -18.206  1.00 96.21           C  
+ATOM   2574  CB  HIS A 322       7.575 -17.466 -18.431  1.00 96.21           C  
+ATOM   2575  O   HIS A 322      10.155 -16.045 -17.335  1.00 96.21           O  
+ATOM   2576  CG  HIS A 322       6.504 -18.510 -18.424  1.00 96.21           C  
+ATOM   2577  CD2 HIS A 322       5.612 -18.862 -17.469  1.00 96.21           C  
+ATOM   2578  ND1 HIS A 322       6.265 -19.338 -19.500  1.00 96.21           N  
+ATOM   2579  CE1 HIS A 322       5.268 -20.155 -19.206  1.00 96.21           C  
+ATOM   2580  NE2 HIS A 322       4.854 -19.888 -17.979  1.00 96.21           N  
+ATOM   2581  N   PHE A 323      10.693 -17.056 -19.288  1.00 96.71           N  
+ATOM   2582  CA  PHE A 323      11.577 -15.962 -19.672  1.00 96.71           C  
+ATOM   2583  C   PHE A 323      10.816 -14.902 -20.458  1.00 96.71           C  
+ATOM   2584  CB  PHE A 323      12.754 -16.486 -20.501  1.00 96.71           C  
+ATOM   2585  O   PHE A 323      10.201 -15.203 -21.483  1.00 96.71           O  
+ATOM   2586  CG  PHE A 323      13.677 -17.396 -19.737  1.00 96.71           C  
+ATOM   2587  CD1 PHE A 323      14.773 -16.883 -19.054  1.00 96.71           C  
+ATOM   2588  CD2 PHE A 323      13.449 -18.765 -19.702  1.00 96.71           C  
+ATOM   2589  CE1 PHE A 323      15.630 -17.723 -18.346  1.00 96.71           C  
+ATOM   2590  CE2 PHE A 323      14.301 -19.611 -18.997  1.00 96.71           C  
+ATOM   2591  CZ  PHE A 323      15.391 -19.088 -18.321  1.00 96.71           C  
+ATOM   2592  N   THR A 324      10.919 -13.638 -19.895  1.00 96.27           N  
+ATOM   2593  CA  THR A 324      10.030 -12.635 -20.469  1.00 96.27           C  
+ATOM   2594  C   THR A 324      10.801 -11.367 -20.822  1.00 96.27           C  
+ATOM   2595  CB  THR A 324       8.881 -12.289 -19.505  1.00 96.27           C  
+ATOM   2596  O   THR A 324      11.897 -11.137 -20.308  1.00 96.27           O  
+ATOM   2597  CG2 THR A 324       8.057 -13.527 -19.164  1.00 96.27           C  
+ATOM   2598  OG1 THR A 324       9.426 -11.745 -18.297  1.00 96.27           O  
+ATOM   2599  N   CYS A 325      10.297 -10.682 -21.852  1.00 95.98           N  
+ATOM   2600  CA  CYS A 325      10.594  -9.290 -22.173  1.00 95.98           C  
+ATOM   2601  C   CYS A 325       9.328  -8.443 -22.148  1.00 95.98           C  
+ATOM   2602  CB  CYS A 325      11.261  -9.187 -23.544  1.00 95.98           C  
+ATOM   2603  O   CYS A 325       8.537  -8.472 -23.093  1.00 95.98           O  
+ATOM   2604  SG  CYS A 325      11.739  -7.505 -23.996  1.00 95.98           S  
+ATOM   2605  N   ALA A 326       9.219  -7.720 -21.071  1.00 94.09           N  
+ATOM   2606  CA  ALA A 326       7.957  -7.038 -20.791  1.00 94.09           C  
+ATOM   2607  C   ALA A 326       7.662  -5.974 -21.844  1.00 94.09           C  
+ATOM   2608  CB  ALA A 326       7.990  -6.411 -19.399  1.00 94.09           C  
+ATOM   2609  O   ALA A 326       6.509  -5.582 -22.032  1.00 94.09           O  
+ATOM   2610  N   THR A 327       8.675  -5.550 -22.534  1.00 94.05           N  
+ATOM   2611  CA  THR A 327       8.472  -4.517 -23.543  1.00 94.05           C  
+ATOM   2612  C   THR A 327       8.148  -5.140 -24.898  1.00 94.05           C  
+ATOM   2613  CB  THR A 327       9.713  -3.614 -23.675  1.00 94.05           C  
+ATOM   2614  O   THR A 327       7.834  -4.429 -25.855  1.00 94.05           O  
+ATOM   2615  CG2 THR A 327       9.957  -2.825 -22.393  1.00 94.05           C  
+ATOM   2616  OG1 THR A 327      10.861  -4.426 -23.949  1.00 94.05           O  
+ATOM   2617  N   ASP A 328       8.237  -6.460 -25.001  1.00 96.01           N  
+ATOM   2618  CA  ASP A 328       7.888  -7.204 -26.208  1.00 96.01           C  
+ATOM   2619  C   ASP A 328       6.453  -7.722 -26.138  1.00 96.01           C  
+ATOM   2620  CB  ASP A 328       8.858  -8.367 -26.421  1.00 96.01           C  
+ATOM   2621  O   ASP A 328       6.177  -8.709 -25.451  1.00 96.01           O  
+ATOM   2622  CG  ASP A 328       8.651  -9.077 -27.748  1.00 96.01           C  
+ATOM   2623  OD1 ASP A 328       7.559  -8.951 -28.343  1.00 96.01           O  
+ATOM   2624  OD2 ASP A 328       9.587  -9.770 -28.200  1.00 96.01           O  
+ATOM   2625  N   THR A 329       5.537  -7.112 -26.940  1.00 94.21           N  
+ATOM   2626  CA  THR A 329       4.106  -7.386 -26.872  1.00 94.21           C  
+ATOM   2627  C   THR A 329       3.814  -8.835 -27.248  1.00 94.21           C  
+ATOM   2628  CB  THR A 329       3.312  -6.443 -27.795  1.00 94.21           C  
+ATOM   2629  O   THR A 329       3.009  -9.502 -26.595  1.00 94.21           O  
+ATOM   2630  CG2 THR A 329       1.813  -6.707 -27.693  1.00 94.21           C  
+ATOM   2631  OG1 THR A 329       3.573  -5.085 -27.421  1.00 94.21           O  
+ATOM   2632  N   LYS A 330       4.458  -9.386 -28.186  1.00 93.73           N  
+ATOM   2633  CA  LYS A 330       4.235 -10.757 -28.636  1.00 93.73           C  
+ATOM   2634  C   LYS A 330       4.650 -11.762 -27.565  1.00 93.73           C  
+ATOM   2635  CB  LYS A 330       4.999 -11.028 -29.933  1.00 93.73           C  
+ATOM   2636  O   LYS A 330       3.934 -12.731 -27.304  1.00 93.73           O  
+ATOM   2637  CG  LYS A 330       4.423 -10.319 -31.150  1.00 93.73           C  
+ATOM   2638  CD  LYS A 330       5.168 -10.700 -32.423  1.00 93.73           C  
+ATOM   2639  CE  LYS A 330       4.651  -9.925 -33.627  1.00 93.73           C  
+ATOM   2640  NZ  LYS A 330       5.416 -10.253 -34.867  1.00 93.73           N  
+ATOM   2641  N   ASN A 331       5.854 -11.477 -27.024  1.00 93.49           N  
+ATOM   2642  CA  ASN A 331       6.362 -12.336 -25.959  1.00 93.49           C  
+ATOM   2643  C   ASN A 331       5.409 -12.375 -24.767  1.00 93.49           C  
+ATOM   2644  CB  ASN A 331       7.751 -11.874 -25.514  1.00 93.49           C  
+ATOM   2645  O   ASN A 331       5.085 -13.451 -24.262  1.00 93.49           O  
+ATOM   2646  CG  ASN A 331       8.316 -12.722 -24.391  1.00 93.49           C  
+ATOM   2647  ND2 ASN A 331       8.821 -13.901 -24.734  1.00 93.49           N  
+ATOM   2648  OD1 ASN A 331       8.298 -12.320 -23.224  1.00 93.49           O  
+ATOM   2649  N   VAL A 332       4.922 -11.182 -24.351  1.00 93.35           N  
+ATOM   2650  CA  VAL A 332       4.047 -11.091 -23.187  1.00 93.35           C  
+ATOM   2651  C   VAL A 332       2.717 -11.780 -23.486  1.00 93.35           C  
+ATOM   2652  CB  VAL A 332       3.805  -9.623 -22.772  1.00 93.35           C  
+ATOM   2653  O   VAL A 332       2.170 -12.484 -22.633  1.00 93.35           O  
+ATOM   2654  CG1 VAL A 332       2.745  -9.539 -21.675  1.00 93.35           C  
+ATOM   2655  CG2 VAL A 332       5.110  -8.977 -22.309  1.00 93.35           C  
+ATOM   2656  N   GLN A 333       2.214 -11.597 -24.642  1.00 91.66           N  
+ATOM   2657  CA  GLN A 333       0.967 -12.250 -25.027  1.00 91.66           C  
+ATOM   2658  C   GLN A 333       1.096 -13.769 -24.950  1.00 91.66           C  
+ATOM   2659  CB  GLN A 333       0.554 -11.829 -26.438  1.00 91.66           C  
+ATOM   2660  O   GLN A 333       0.214 -14.445 -24.417  1.00 91.66           O  
+ATOM   2661  CG  GLN A 333      -0.829 -12.318 -26.846  1.00 91.66           C  
+ATOM   2662  CD  GLN A 333      -1.311 -11.700 -28.145  1.00 91.66           C  
+ATOM   2663  NE2 GLN A 333      -2.604 -11.830 -28.420  1.00 91.66           N  
+ATOM   2664  OE1 GLN A 333      -0.527 -11.110 -28.896  1.00 91.66           O  
+ATOM   2665  N   PHE A 334       2.158 -14.282 -25.497  1.00 91.31           N  
+ATOM   2666  CA  PHE A 334       2.410 -15.718 -25.497  1.00 91.31           C  
+ATOM   2667  C   PHE A 334       2.517 -16.249 -24.072  1.00 91.31           C  
+ATOM   2668  CB  PHE A 334       3.689 -16.041 -26.275  1.00 91.31           C  
+ATOM   2669  O   PHE A 334       1.913 -17.270 -23.738  1.00 91.31           O  
+ATOM   2670  CG  PHE A 334       4.051 -17.502 -26.269  1.00 91.31           C  
+ATOM   2671  CD1 PHE A 334       5.007 -17.992 -25.388  1.00 91.31           C  
+ATOM   2672  CD2 PHE A 334       3.434 -18.386 -27.145  1.00 91.31           C  
+ATOM   2673  CE1 PHE A 334       5.344 -19.344 -25.380  1.00 91.31           C  
+ATOM   2674  CE2 PHE A 334       3.765 -19.738 -27.143  1.00 91.31           C  
+ATOM   2675  CZ  PHE A 334       4.721 -20.215 -26.261  1.00 91.31           C  
+ATOM   2676  N   VAL A 335       3.275 -15.573 -23.256  1.00 89.64           N  
+ATOM   2677  CA  VAL A 335       3.509 -15.998 -21.880  1.00 89.64           C  
+ATOM   2678  C   VAL A 335       2.202 -15.945 -21.093  1.00 89.64           C  
+ATOM   2679  CB  VAL A 335       4.583 -15.126 -21.191  1.00 89.64           C  
+ATOM   2680  O   VAL A 335       1.888 -16.866 -20.335  1.00 89.64           O  
+ATOM   2681  CG1 VAL A 335       4.629 -15.412 -19.691  1.00 89.64           C  
+ATOM   2682  CG2 VAL A 335       5.952 -15.365 -21.826  1.00 89.64           C  
+ATOM   2683  N   PHE A 336       1.458 -14.881 -21.362  1.00 87.86           N  
+ATOM   2684  CA  PHE A 336       0.219 -14.736 -20.608  1.00 87.86           C  
+ATOM   2685  C   PHE A 336      -0.803 -15.781 -21.040  1.00 87.86           C  
+ATOM   2686  CB  PHE A 336      -0.360 -13.330 -20.788  1.00 87.86           C  
+ATOM   2687  O   PHE A 336      -1.585 -16.268 -20.220  1.00 87.86           O  
+ATOM   2688  CG  PHE A 336      -1.357 -12.943 -19.729  1.00 87.86           C  
+ATOM   2689  CD1 PHE A 336      -2.720 -12.959 -19.999  1.00 87.86           C  
+ATOM   2690  CD2 PHE A 336      -0.931 -12.563 -18.463  1.00 87.86           C  
+ATOM   2691  CE1 PHE A 336      -3.645 -12.602 -19.020  1.00 87.86           C  
+ATOM   2692  CE2 PHE A 336      -1.849 -12.205 -17.480  1.00 87.86           C  
+ATOM   2693  CZ  PHE A 336      -3.205 -12.224 -17.761  1.00 87.86           C  
+ATOM   2694  N   ASP A 337      -0.867 -16.123 -22.237  1.00 88.34           N  
+ATOM   2695  CA  ASP A 337      -1.718 -17.216 -22.695  1.00 88.34           C  
+ATOM   2696  C   ASP A 337      -1.379 -18.517 -21.971  1.00 88.34           C  
+ATOM   2697  CB  ASP A 337      -1.582 -17.405 -24.207  1.00 88.34           C  
+ATOM   2698  O   ASP A 337      -2.275 -19.251 -21.548  1.00 88.34           O  
+ATOM   2699  CG  ASP A 337      -2.296 -16.329 -25.006  1.00 88.34           C  
+ATOM   2700  OD1 ASP A 337      -3.119 -15.586 -24.429  1.00 88.34           O  
+ATOM   2701  OD2 ASP A 337      -2.035 -16.225 -26.224  1.00 88.34           O  
+ATOM   2702  N   ALA A 338      -0.130 -18.788 -21.811  1.00 85.82           N  
+ATOM   2703  CA  ALA A 338       0.342 -19.987 -21.123  1.00 85.82           C  
+ATOM   2704  C   ALA A 338      -0.022 -19.947 -19.641  1.00 85.82           C  
+ATOM   2705  CB  ALA A 338       1.851 -20.139 -21.293  1.00 85.82           C  
+ATOM   2706  O   ALA A 338      -0.444 -20.956 -19.072  1.00 85.82           O  
+ATOM   2707  N   VAL A 339       0.122 -18.760 -19.050  1.00 84.82           N  
+ATOM   2708  CA  VAL A 339      -0.175 -18.567 -17.635  1.00 84.82           C  
+ATOM   2709  C   VAL A 339      -1.664 -18.795 -17.383  1.00 84.82           C  
+ATOM   2710  CB  VAL A 339       0.237 -17.157 -17.155  1.00 84.82           C  
+ATOM   2711  O   VAL A 339      -2.042 -19.454 -16.412  1.00 84.82           O  
+ATOM   2712  CG1 VAL A 339      -0.302 -16.885 -15.752  1.00 84.82           C  
+ATOM   2713  CG2 VAL A 339       1.757 -17.007 -17.186  1.00 84.82           C  
+ATOM   2714  N   THR A 340      -2.479 -18.245 -18.317  1.00 84.63           N  
+ATOM   2715  CA  THR A 340      -3.925 -18.382 -18.181  1.00 84.63           C  
+ATOM   2716  C   THR A 340      -4.340 -19.848 -18.260  1.00 84.63           C  
+ATOM   2717  CB  THR A 340      -4.666 -17.576 -19.265  1.00 84.63           C  
+ATOM   2718  O   THR A 340      -5.227 -20.288 -17.526  1.00 84.63           O  
+ATOM   2719  CG2 THR A 340      -6.173 -17.602 -19.034  1.00 84.63           C  
+ATOM   2720  OG1 THR A 340      -4.212 -16.217 -19.236  1.00 84.63           O  
+ATOM   2721  N   ASP A 341      -3.710 -20.552 -19.047  1.00 83.11           N  
+ATOM   2722  CA  ASP A 341      -4.001 -21.976 -19.179  1.00 83.11           C  
+ATOM   2723  C   ASP A 341      -3.688 -22.722 -17.884  1.00 83.11           C  
+ATOM   2724  CB  ASP A 341      -3.208 -22.581 -20.339  1.00 83.11           C  
+ATOM   2725  O   ASP A 341      -4.438 -23.612 -17.477  1.00 83.11           O  
+ATOM   2726  CG  ASP A 341      -3.744 -22.172 -21.700  1.00 83.11           C  
+ATOM   2727  OD1 ASP A 341      -4.879 -21.656 -21.779  1.00 83.11           O  
+ATOM   2728  OD2 ASP A 341      -3.025 -22.371 -22.703  1.00 83.11           O  
+ATOM   2729  N   VAL A 342      -2.641 -22.296 -17.267  1.00 78.43           N  
+ATOM   2730  CA  VAL A 342      -2.218 -22.905 -16.010  1.00 78.43           C  
+ATOM   2731  C   VAL A 342      -3.216 -22.559 -14.907  1.00 78.43           C  
+ATOM   2732  CB  VAL A 342      -0.798 -22.447 -15.607  1.00 78.43           C  
+ATOM   2733  O   VAL A 342      -3.598 -23.423 -14.114  1.00 78.43           O  
+ATOM   2734  CG1 VAL A 342      -0.460 -22.918 -14.194  1.00 78.43           C  
+ATOM   2735  CG2 VAL A 342       0.233 -22.965 -16.608  1.00 78.43           C  
+ATOM   2736  N   ILE A 343      -3.600 -21.308 -14.908  1.00 80.15           N  
+ATOM   2737  CA  ILE A 343      -4.510 -20.818 -13.878  1.00 80.15           C  
+ATOM   2738  C   ILE A 343      -5.868 -21.501 -14.021  1.00 80.15           C  
+ATOM   2739  CB  ILE A 343      -4.672 -19.283 -13.952  1.00 80.15           C  
+ATOM   2740  O   ILE A 343      -6.468 -21.917 -13.027  1.00 80.15           O  
+ATOM   2741  CG1 ILE A 343      -3.344 -18.589 -13.629  1.00 80.15           C  
+ATOM   2742  CG2 ILE A 343      -5.781 -18.811 -13.007  1.00 80.15           C  
+ATOM   2743  CD1 ILE A 343      -3.366 -17.081 -13.838  1.00 80.15           C  
+ATOM   2744  N   ILE A 344      -6.267 -21.651 -15.226  1.00 77.87           N  
+ATOM   2745  CA  ILE A 344      -7.558 -22.270 -15.507  1.00 77.87           C  
+ATOM   2746  C   ILE A 344      -7.521 -23.744 -15.109  1.00 77.87           C  
+ATOM   2747  CB  ILE A 344      -7.942 -22.127 -16.997  1.00 77.87           C  
+ATOM   2748  O   ILE A 344      -8.475 -24.259 -14.522  1.00 77.87           O  
+ATOM   2749  CG1 ILE A 344      -8.223 -20.658 -17.337  1.00 77.87           C  
+ATOM   2750  CG2 ILE A 344      -9.150 -23.007 -17.330  1.00 77.87           C  
+ATOM   2751  CD1 ILE A 344      -8.479 -20.403 -18.816  1.00 77.87           C  
+ATOM   2752  N   LYS A 345      -6.469 -24.387 -15.369  1.00 74.10           N  
+ATOM   2753  CA  LYS A 345      -6.313 -25.799 -15.033  1.00 74.10           C  
+ATOM   2754  C   LYS A 345      -6.378 -26.016 -13.524  1.00 74.10           C  
+ATOM   2755  CB  LYS A 345      -4.991 -26.339 -15.583  1.00 74.10           C  
+ATOM   2756  O   LYS A 345      -7.029 -26.952 -13.054  1.00 74.10           O  
+ATOM   2757  CG  LYS A 345      -4.863 -27.854 -15.511  1.00 74.10           C  
+ATOM   2758  CD  LYS A 345      -3.552 -28.333 -16.121  1.00 74.10           C  
+ATOM   2759  CE  LYS A 345      -3.366 -29.834 -15.938  1.00 74.10           C  
+ATOM   2760  NZ  LYS A 345      -2.088 -30.311 -16.547  1.00 74.10           N  
+ATOM   2761  N   ASN A 346      -5.806 -25.134 -12.767  1.00 71.08           N  
+ATOM   2762  CA  ASN A 346      -5.758 -25.286 -11.317  1.00 71.08           C  
+ATOM   2763  C   ASN A 346      -7.084 -24.900 -10.668  1.00 71.08           C  
+ATOM   2764  CB  ASN A 346      -4.616 -24.455 -10.727  1.00 71.08           C  
+ATOM   2765  O   ASN A 346      -7.484 -25.491  -9.664  1.00 71.08           O  
+ATOM   2766  CG  ASN A 346      -3.261 -25.109 -10.913  1.00 71.08           C  
+ATOM   2767  ND2 ASN A 346      -2.201 -24.318 -10.801  1.00 71.08           N  
+ATOM   2768  OD1 ASN A 346      -3.169 -26.315 -11.156  1.00 71.08           O  
+ATOM   2769  N   ASN A 347      -7.725 -23.840 -11.239  1.00 66.37           N  
+ATOM   2770  CA  ASN A 347      -9.016 -23.407 -10.715  1.00 66.37           C  
+ATOM   2771  C   ASN A 347     -10.104 -24.443 -10.981  1.00 66.37           C  
+ATOM   2772  CB  ASN A 347      -9.412 -22.056 -11.314  1.00 66.37           C  
+ATOM   2773  O   ASN A 347     -11.009 -24.622 -10.164  1.00 66.37           O  
+ATOM   2774  CG  ASN A 347      -8.911 -20.884 -10.492  1.00 66.37           C  
+ATOM   2775  ND2 ASN A 347      -8.554 -19.797 -11.166  1.00 66.37           N  
+ATOM   2776  OD1 ASN A 347      -8.845 -20.956  -9.262  1.00 66.37           O  
+ATOM   2777  N   LEU A 348     -10.051 -25.122 -12.109  1.00 59.59           N  
+ATOM   2778  CA  LEU A 348     -11.010 -26.172 -12.433  1.00 59.59           C  
+ATOM   2779  C   LEU A 348     -10.799 -27.394 -11.546  1.00 59.59           C  
+ATOM   2780  CB  LEU A 348     -10.892 -26.570 -13.906  1.00 59.59           C  
+ATOM   2781  O   LEU A 348     -11.754 -28.103 -11.220  1.00 59.59           O  
+ATOM   2782  CG  LEU A 348     -11.438 -25.568 -14.925  1.00 59.59           C  
+ATOM   2783  CD1 LEU A 348     -11.029 -25.972 -16.338  1.00 59.59           C  
+ATOM   2784  CD2 LEU A 348     -12.955 -25.462 -14.812  1.00 59.59           C  
+ATOM   2785  N   LYS A 349      -9.633 -27.663 -11.084  1.00 58.56           N  
+ATOM   2786  CA  LYS A 349      -9.408 -28.749 -10.135  1.00 58.56           C  
+ATOM   2787  C   LYS A 349     -10.080 -28.457  -8.796  1.00 58.56           C  
+ATOM   2788  CB  LYS A 349      -7.910 -28.982  -9.930  1.00 58.56           C  
+ATOM   2789  O   LYS A 349     -10.632 -29.360  -8.163  1.00 58.56           O  
+ATOM   2790  CG  LYS A 349      -7.257 -29.810 -11.026  1.00 58.56           C  
+ATOM   2791  CD  LYS A 349      -5.801 -30.120 -10.700  1.00 58.56           C  
+ATOM   2792  CE  LYS A 349      -5.120 -30.868 -11.838  1.00 58.56           C  
+ATOM   2793  NZ  LYS A 349      -3.681 -31.137 -11.541  1.00 58.56           N  
+ATOM   2794  N   ASP A 350     -10.183 -27.227  -8.411  1.00 54.07           N  
+ATOM   2795  CA  ASP A 350     -10.771 -26.836  -7.133  1.00 54.07           C  
+ATOM   2796  C   ASP A 350     -12.296 -26.830  -7.210  1.00 54.07           C  
+ATOM   2797  CB  ASP A 350     -10.260 -25.459  -6.706  1.00 54.07           C  
+ATOM   2798  O   ASP A 350     -12.974 -27.067  -6.208  1.00 54.07           O  
+ATOM   2799  CG  ASP A 350      -8.837 -25.492  -6.177  1.00 54.07           C  
+ATOM   2800  OD1 ASP A 350      -8.338 -26.587  -5.838  1.00 54.07           O  
+ATOM   2801  OD2 ASP A 350      -8.209 -24.414  -6.097  1.00 54.07           O  
+ATOM   2802  N   CYS A 351     -12.899 -26.712  -8.383  1.00 45.31           N  
+ATOM   2803  CA  CYS A 351     -14.350 -26.721  -8.529  1.00 45.31           C  
+ATOM   2804  C   CYS A 351     -14.864 -28.134  -8.778  1.00 45.31           C  
+ATOM   2805  CB  CYS A 351     -14.780 -25.803  -9.673  1.00 45.31           C  
+ATOM   2806  O   CYS A 351     -16.073 -28.351  -8.882  1.00 45.31           O  
+ATOM   2807  SG  CYS A 351     -14.423 -24.058  -9.379  1.00 45.31           S  
+ATOM   2808  N   GLY A 352     -14.083 -29.246  -8.635  1.00 33.58           N  
+ATOM   2809  CA  GLY A 352     -14.518 -30.624  -8.798  1.00 33.58           C  
+ATOM   2810  C   GLY A 352     -14.950 -30.950 -10.215  1.00 33.58           C  
+ATOM   2811  O   GLY A 352     -15.699 -31.903 -10.438  1.00 33.58           O  
+ATOM   2812  N   LEU A 353     -14.582 -30.245 -11.232  1.00 35.17           N  
+ATOM   2813  CA  LEU A 353     -14.890 -30.664 -12.595  1.00 35.17           C  
+ATOM   2814  C   LEU A 353     -13.682 -31.332 -13.244  1.00 35.17           C  
+ATOM   2815  CB  LEU A 353     -15.338 -29.467 -13.437  1.00 35.17           C  
+ATOM   2816  O   LEU A 353     -13.767 -31.811 -14.377  1.00 35.17           O  
+ATOM   2817  CG  LEU A 353     -16.777 -28.990 -13.226  1.00 35.17           C  
+ATOM   2818  CD1 LEU A 353     -16.900 -27.509 -13.568  1.00 35.17           C  
+ATOM   2819  CD2 LEU A 353     -17.743 -29.821 -14.063  1.00 35.17           C  
+ATOM   2820  N   PHE A 354     -12.751 -31.889 -12.430  1.00 35.04           N  
+ATOM   2821  CA  PHE A 354     -11.847 -32.996 -12.719  1.00 35.04           C  
+ATOM   2822  C   PHE A 354     -11.639 -33.862 -11.482  1.00 35.04           C  
+ATOM   2823  CB  PHE A 354     -10.499 -32.472 -13.225  1.00 35.04           C  
+ATOM   2824  O   PHE A 354     -11.616 -33.355 -10.359  1.00 35.04           O  
+ATOM   2825  CG  PHE A 354     -10.525 -32.019 -14.660  1.00 35.04           C  
+ATOM   2826  CD1 PHE A 354     -10.354 -32.930 -15.695  1.00 35.04           C  
+ATOM   2827  CD2 PHE A 354     -10.719 -30.680 -14.974  1.00 35.04           C  
+ATOM   2828  CE1 PHE A 354     -10.377 -32.513 -17.024  1.00 35.04           C  
+ATOM   2829  CE2 PHE A 354     -10.743 -30.256 -16.299  1.00 35.04           C  
+ATOM   2830  CZ  PHE A 354     -10.571 -31.174 -17.323  1.00 35.04           C  
+ATOM   2831  N   MET B 555      34.647  14.045  18.719  1.00 56.30           N  
+ATOM   2832  CA  MET B 555      33.239  13.678  18.838  1.00 56.30           C  
+ATOM   2833  C   MET B 555      32.361  14.610  18.009  1.00 56.30           C  
+ATOM   2834  CB  MET B 555      32.797  13.707  20.302  1.00 56.30           C  
+ATOM   2835  O   MET B 555      32.553  15.827  18.026  1.00 56.30           O  
+ATOM   2836  CG  MET B 555      32.178  12.404  20.782  1.00 56.30           C  
+ATOM   2837  SD  MET B 555      31.609  12.496  22.524  1.00 56.30           S  
+ATOM   2838  CE  MET B 555      33.208  12.530  23.381  1.00 56.30           C  
+ATOM   2839  N   SER B 556      31.863  14.191  16.837  1.00 75.46           N  
+ATOM   2840  CA  SER B 556      31.069  14.921  15.855  1.00 75.46           C  
+ATOM   2841  C   SER B 556      29.969  15.735  16.529  1.00 75.46           C  
+ATOM   2842  CB  SER B 556      30.452  13.958  14.840  1.00 75.46           C  
+ATOM   2843  O   SER B 556      29.526  15.399  17.630  1.00 75.46           O  
+ATOM   2844  OG  SER B 556      29.242  13.411  15.337  1.00 75.46           O  
+ATOM   2845  N   GLU B 557      29.947  17.029  16.536  1.00 84.60           N  
+ATOM   2846  CA  GLU B 557      28.893  17.965  16.917  1.00 84.60           C  
+ATOM   2847  C   GLU B 557      27.548  17.257  17.051  1.00 84.60           C  
+ATOM   2848  CB  GLU B 557      28.790  19.102  15.897  1.00 84.60           C  
+ATOM   2849  O   GLU B 557      26.787  17.531  17.981  1.00 84.60           O  
+ATOM   2850  CG  GLU B 557      28.047  20.326  16.414  1.00 84.60           C  
+ATOM   2851  CD  GLU B 557      28.070  21.496  15.443  1.00 84.60           C  
+ATOM   2852  OE1 GLU B 557      27.436  22.536  15.731  1.00 84.60           O  
+ATOM   2853  OE2 GLU B 557      28.728  21.371  14.386  1.00 84.60           O  
+ATOM   2854  N   LEU B 558      27.271  16.298  16.257  1.00 81.91           N  
+ATOM   2855  CA  LEU B 558      26.025  15.540  16.292  1.00 81.91           C  
+ATOM   2856  C   LEU B 558      25.971  14.638  17.520  1.00 81.91           C  
+ATOM   2857  CB  LEU B 558      25.872  14.701  15.020  1.00 81.91           C  
+ATOM   2858  O   LEU B 558      24.926  14.520  18.164  1.00 81.91           O  
+ATOM   2859  CG  LEU B 558      24.518  14.780  14.314  1.00 81.91           C  
+ATOM   2860  CD1 LEU B 558      24.697  15.254  12.876  1.00 81.91           C  
+ATOM   2861  CD2 LEU B 558      23.814  13.428  14.354  1.00 81.91           C  
+ATOM   2862  N   ASP B 559      27.064  14.064  17.826  1.00 85.78           N  
+ATOM   2863  CA  ASP B 559      27.126  13.184  18.988  1.00 85.78           C  
+ATOM   2864  C   ASP B 559      26.946  13.972  20.284  1.00 85.78           C  
+ATOM   2865  CB  ASP B 559      28.454  12.423  19.015  1.00 85.78           C  
+ATOM   2866  O   ASP B 559      26.282  13.506  21.212  1.00 85.78           O  
+ATOM   2867  CG  ASP B 559      28.516  11.303  17.992  1.00 85.78           C  
+ATOM   2868  OD1 ASP B 559      27.451  10.823  17.547  1.00 85.78           O  
+ATOM   2869  OD2 ASP B 559      29.641  10.896  17.628  1.00 85.78           O  
+ATOM   2870  N   GLN B 560      27.434  15.166  20.307  1.00 87.91           N  
+ATOM   2871  CA  GLN B 560      27.280  16.054  21.455  1.00 87.91           C  
+ATOM   2872  C   GLN B 560      25.823  16.471  21.636  1.00 87.91           C  
+ATOM   2873  CB  GLN B 560      28.164  17.292  21.299  1.00 87.91           C  
+ATOM   2874  O   GLN B 560      25.312  16.486  22.758  1.00 87.91           O  
+ATOM   2875  CG  GLN B 560      28.355  18.079  22.589  1.00 87.91           C  
+ATOM   2876  CD  GLN B 560      29.288  19.263  22.422  1.00 87.91           C  
+ATOM   2877  NE2 GLN B 560      29.620  19.917  23.530  1.00 87.91           N  
+ATOM   2878  OE1 GLN B 560      29.708  19.587  21.307  1.00 87.91           O  
+ATOM   2879  N   LEU B 561      25.192  16.783  20.560  1.00 88.50           N  
+ATOM   2880  CA  LEU B 561      23.792  17.188  20.619  1.00 88.50           C  
+ATOM   2881  C   LEU B 561      22.907  16.026  21.055  1.00 88.50           C  
+ATOM   2882  CB  LEU B 561      23.329  17.715  19.258  1.00 88.50           C  
+ATOM   2883  O   LEU B 561      21.954  16.217  21.814  1.00 88.50           O  
+ATOM   2884  CG  LEU B 561      23.813  19.113  18.871  1.00 88.50           C  
+ATOM   2885  CD1 LEU B 561      23.480  19.405  17.412  1.00 88.50           C  
+ATOM   2886  CD2 LEU B 561      23.195  20.165  19.786  1.00 88.50           C  
+ATOM   2887  N   ARG B 562      23.228  14.812  20.596  1.00 82.84           N  
+ATOM   2888  CA  ARG B 562      22.498  13.615  21.000  1.00 82.84           C  
+ATOM   2889  C   ARG B 562      22.628  13.375  22.500  1.00 82.84           C  
+ATOM   2890  CB  ARG B 562      22.999  12.393  20.228  1.00 82.84           C  
+ATOM   2891  O   ARG B 562      21.649  13.035  23.167  1.00 82.84           O  
+ATOM   2892  CG  ARG B 562      22.391  12.248  18.842  1.00 82.84           C  
+ATOM   2893  CD  ARG B 562      22.873  10.984  18.144  1.00 82.84           C  
+ATOM   2894  NE  ARG B 562      22.345  10.883  16.787  1.00 82.84           N  
+ATOM   2895  NH1 ARG B 562      23.574   9.009  16.226  1.00 82.84           N  
+ATOM   2896  NH2 ARG B 562      22.148   9.950  14.697  1.00 82.84           N  
+ATOM   2897  CZ  ARG B 562      22.690   9.947  15.906  1.00 82.84           C  
+ATOM   2898  N   GLN B 563      23.807  13.574  22.958  1.00 88.57           N  
+ATOM   2899  CA  GLN B 563      24.056  13.386  24.384  1.00 88.57           C  
+ATOM   2900  C   GLN B 563      23.319  14.433  25.214  1.00 88.57           C  
+ATOM   2901  CB  GLN B 563      25.556  13.443  24.678  1.00 88.57           C  
+ATOM   2902  O   GLN B 563      22.732  14.112  26.249  1.00 88.57           O  
+ATOM   2903  CG  GLN B 563      25.943  12.833  26.019  1.00 88.57           C  
+ATOM   2904  CD  GLN B 563      27.445  12.780  26.228  1.00 88.57           C  
+ATOM   2905  NE2 GLN B 563      27.874  12.073  27.268  1.00 88.57           N  
+ATOM   2906  OE1 GLN B 563      28.213  13.370  25.461  1.00 88.57           O  
+ATOM   2907  N   GLU B 564      23.373  15.635  24.733  1.00 91.43           N  
+ATOM   2908  CA  GLU B 564      22.666  16.716  25.412  1.00 91.43           C  
+ATOM   2909  C   GLU B 564      21.161  16.461  25.439  1.00 91.43           C  
+ATOM   2910  CB  GLU B 564      22.960  18.058  24.738  1.00 91.43           C  
+ATOM   2911  O   GLU B 564      20.505  16.689  26.457  1.00 91.43           O  
+ATOM   2912  CG  GLU B 564      24.293  18.671  25.143  1.00 91.43           C  
+ATOM   2913  CD  GLU B 564      24.549  20.026  24.504  1.00 91.43           C  
+ATOM   2914  OE1 GLU B 564      25.658  20.580  24.678  1.00 91.43           O  
+ATOM   2915  OE2 GLU B 564      23.632  20.540  23.824  1.00 91.43           O  
+ATOM   2916  N   ALA B 565      20.605  16.063  24.349  1.00 81.79           N  
+ATOM   2917  CA  ALA B 565      19.183  15.742  24.252  1.00 81.79           C  
+ATOM   2918  C   ALA B 565      18.802  14.639  25.235  1.00 81.79           C  
+ATOM   2919  CB  ALA B 565      18.828  15.327  22.826  1.00 81.79           C  
+ATOM   2920  O   ALA B 565      17.777  14.732  25.915  1.00 81.79           O  
+ATOM   2921  N   GLU B 566      19.640  13.616  25.313  1.00 84.48           N  
+ATOM   2922  CA  GLU B 566      19.403  12.510  26.235  1.00 84.48           C  
+ATOM   2923  C   GLU B 566      19.436  12.983  27.686  1.00 84.48           C  
+ATOM   2924  CB  GLU B 566      20.435  11.400  26.020  1.00 84.48           C  
+ATOM   2925  O   GLU B 566      18.620  12.554  28.503  1.00 84.48           O  
+ATOM   2926  CG  GLU B 566      20.078  10.087  26.702  1.00 84.48           C  
+ATOM   2927  CD  GLU B 566      18.808   9.454  26.157  1.00 84.48           C  
+ATOM   2928  OE1 GLU B 566      18.189   8.627  26.865  1.00 84.48           O  
+ATOM   2929  OE2 GLU B 566      18.429   9.786  25.012  1.00 84.48           O  
+ATOM   2930  N   GLN B 567      20.350  13.850  27.984  1.00 90.43           N  
+ATOM   2931  CA  GLN B 567      20.451  14.412  29.327  1.00 90.43           C  
+ATOM   2932  C   GLN B 567      19.205  15.219  29.681  1.00 90.43           C  
+ATOM   2933  CB  GLN B 567      21.697  15.290  29.450  1.00 90.43           C  
+ATOM   2934  O   GLN B 567      18.687  15.114  30.794  1.00 90.43           O  
+ATOM   2935  CG  GLN B 567      22.968  14.512  29.765  1.00 90.43           C  
+ATOM   2936  CD  GLN B 567      24.196  15.401  29.842  1.00 90.43           C  
+ATOM   2937  NE2 GLN B 567      25.330  14.814  30.208  1.00 90.43           N  
+ATOM   2938  OE1 GLN B 567      24.125  16.604  29.574  1.00 90.43           O  
+ATOM   2939  N   LEU B 568      18.723  15.997  28.760  1.00 89.28           N  
+ATOM   2940  CA  LEU B 568      17.524  16.800  28.976  1.00 89.28           C  
+ATOM   2941  C   LEU B 568      16.305  15.910  29.195  1.00 89.28           C  
+ATOM   2942  CB  LEU B 568      17.282  17.732  27.786  1.00 89.28           C  
+ATOM   2943  O   LEU B 568      15.470  16.194  30.056  1.00 89.28           O  
+ATOM   2944  CG  LEU B 568      18.175  18.971  27.702  1.00 89.28           C  
+ATOM   2945  CD1 LEU B 568      18.007  19.656  26.350  1.00 89.28           C  
+ATOM   2946  CD2 LEU B 568      17.860  19.936  28.840  1.00 89.28           C  
+ATOM   2947  N   LYS B 569      16.219  14.860  28.454  1.00 82.02           N  
+ATOM   2948  CA  LYS B 569      15.124  13.908  28.613  1.00 82.02           C  
+ATOM   2949  C   LYS B 569      15.114  13.310  30.017  1.00 82.02           C  
+ATOM   2950  CB  LYS B 569      15.224  12.795  27.569  1.00 82.02           C  
+ATOM   2951  O   LYS B 569      14.055  13.181  30.635  1.00 82.02           O  
+ATOM   2952  CG  LYS B 569      14.765  13.206  26.178  1.00 82.02           C  
+ATOM   2953  CD  LYS B 569      14.835  12.042  25.199  1.00 82.02           C  
+ATOM   2954  CE  LYS B 569      14.421  12.464  23.796  1.00 82.02           C  
+ATOM   2955  NZ  LYS B 569      14.548  11.342  22.819  1.00 82.02           N  
+ATOM   2956  N   ASN B 570      16.307  12.952  30.502  1.00 84.40           N  
+ATOM   2957  CA  ASN B 570      16.433  12.391  31.843  1.00 84.40           C  
+ATOM   2958  C   ASN B 570      16.027  13.401  32.913  1.00 84.40           C  
+ATOM   2959  CB  ASN B 570      17.863  11.904  32.088  1.00 84.40           C  
+ATOM   2960  O   ASN B 570      15.378  13.041  33.897  1.00 84.40           O  
+ATOM   2961  CG  ASN B 570      18.176  10.618  31.349  1.00 84.40           C  
+ATOM   2962  ND2 ASN B 570      19.458  10.370  31.107  1.00 84.40           N  
+ATOM   2963  OD1 ASN B 570      17.273   9.854  30.997  1.00 84.40           O  
+ATOM   2964  N   GLN B 571      16.374  14.628  32.674  1.00 88.41           N  
+ATOM   2965  CA  GLN B 571      16.023  15.691  33.610  1.00 88.41           C  
+ATOM   2966  C   GLN B 571      14.511  15.876  33.690  1.00 88.41           C  
+ATOM   2967  CB  GLN B 571      16.693  17.005  33.206  1.00 88.41           C  
+ATOM   2968  O   GLN B 571      13.960  16.067  34.776  1.00 88.41           O  
+ATOM   2969  CG  GLN B 571      18.188  17.047  33.491  1.00 88.41           C  
+ATOM   2970  CD  GLN B 571      18.831  18.353  33.063  1.00 88.41           C  
+ATOM   2971  NE2 GLN B 571      20.129  18.485  33.314  1.00 88.41           N  
+ATOM   2972  OE1 GLN B 571      18.166  19.235  32.510  1.00 88.41           O  
+ATOM   2973  N   ILE B 572      13.891  15.849  32.576  1.00 81.49           N  
+ATOM   2974  CA  ILE B 572      12.440  15.992  32.515  1.00 81.49           C  
+ATOM   2975  C   ILE B 572      11.776  14.816  33.227  1.00 81.49           C  
+ATOM   2976  CB  ILE B 572      11.942  16.087  31.056  1.00 81.49           C  
+ATOM   2977  O   ILE B 572      10.840  15.003  34.008  1.00 81.49           O  
+ATOM   2978  CG1 ILE B 572      12.371  17.419  30.431  1.00 81.49           C  
+ATOM   2979  CG2 ILE B 572      10.422  15.916  30.992  1.00 81.49           C  
+ATOM   2980  CD1 ILE B 572      12.072  17.529  28.942  1.00 81.49           C  
+ATOM   2981  N   ARG B 573      12.343  13.622  32.981  1.00 80.14           N  
+ATOM   2982  CA  ARG B 573      11.818  12.431  33.641  1.00 80.14           C  
+ATOM   2983  C   ARG B 573      11.923  12.555  35.158  1.00 80.14           C  
+ATOM   2984  CB  ARG B 573      12.559  11.180  33.165  1.00 80.14           C  
+ATOM   2985  O   ARG B 573      10.968  12.254  35.878  1.00 80.14           O  
+ATOM   2986  CG  ARG B 573      11.939   9.877  33.643  1.00 80.14           C  
+ATOM   2987  CD  ARG B 573      12.711   8.666  33.138  1.00 80.14           C  
+ATOM   2988  NE  ARG B 573      13.476   8.979  31.934  1.00 80.14           N  
+ATOM   2989  NH1 ARG B 573      14.354   6.856  31.692  1.00 80.14           N  
+ATOM   2990  NH2 ARG B 573      14.892   8.502  30.190  1.00 80.14           N  
+ATOM   2991  CZ  ARG B 573      14.239   8.111  31.275  1.00 80.14           C  
+ATOM   2992  N   ASP B 574      13.050  12.983  35.631  1.00 85.45           N  
+ATOM   2993  CA  ASP B 574      13.288  13.134  37.063  1.00 85.45           C  
+ATOM   2994  C   ASP B 574      12.375  14.201  37.662  1.00 85.45           C  
+ATOM   2995  CB  ASP B 574      14.753  13.486  37.329  1.00 85.45           C  
+ATOM   2996  O   ASP B 574      11.844  14.026  38.761  1.00 85.45           O  
+ATOM   2997  CG  ASP B 574      15.699  12.329  37.063  1.00 85.45           C  
+ATOM   2998  OD1 ASP B 574      15.241  11.167  37.005  1.00 85.45           O  
+ATOM   2999  OD2 ASP B 574      16.915  12.580  36.912  1.00 85.45           O  
+ATOM   3000  N   ALA B 575      12.228  15.253  36.934  1.00 85.37           N  
+ATOM   3001  CA  ALA B 575      11.349  16.325  37.392  1.00 85.37           C  
+ATOM   3002  C   ALA B 575       9.905  15.843  37.498  1.00 85.37           C  
+ATOM   3003  CB  ALA B 575      11.439  17.525  36.452  1.00 85.37           C  
+ATOM   3004  O   ALA B 575       9.193  16.197  38.441  1.00 85.37           O  
+ATOM   3005  N   ARG B 576       9.494  15.042  36.555  1.00 80.61           N  
+ATOM   3006  CA  ARG B 576       8.147  14.480  36.566  1.00 80.61           C  
+ATOM   3007  C   ARG B 576       7.942  13.575  37.776  1.00 80.61           C  
+ATOM   3008  CB  ARG B 576       7.879  13.700  35.277  1.00 80.61           C  
+ATOM   3009  O   ARG B 576       6.907  13.646  38.443  1.00 80.61           O  
+ATOM   3010  CG  ARG B 576       7.621  14.582  34.066  1.00 80.61           C  
+ATOM   3011  CD  ARG B 576       7.357  13.758  32.814  1.00 80.61           C  
+ATOM   3012  NE  ARG B 576       7.025  14.604  31.671  1.00 80.61           N  
+ATOM   3013  NH1 ARG B 576       7.005  12.878  30.136  1.00 80.61           N  
+ATOM   3014  NH2 ARG B 576       6.563  15.024  29.461  1.00 80.61           N  
+ATOM   3015  CZ  ARG B 576       6.865  14.167  30.425  1.00 80.61           C  
+ATOM   3016  N   LYS B 577       8.974  12.761  38.027  1.00 80.89           N  
+ATOM   3017  CA  LYS B 577       8.919  11.839  39.158  1.00 80.89           C  
+ATOM   3018  C   LYS B 577       8.848  12.596  40.481  1.00 80.89           C  
+ATOM   3019  CB  LYS B 577      10.132  10.908  39.151  1.00 80.89           C  
+ATOM   3020  O   LYS B 577       8.135  12.186  41.399  1.00 80.89           O  
+ATOM   3021  CG  LYS B 577      10.014   9.744  38.179  1.00 80.89           C  
+ATOM   3022  CD  LYS B 577      11.197   8.791  38.300  1.00 80.89           C  
+ATOM   3023  CE  LYS B 577      11.119   7.669  37.275  1.00 80.89           C  
+ATOM   3024  NZ  LYS B 577      12.294   6.751  37.368  1.00 80.89           N  
+ATOM   3025  N   ALA B 578       9.528  13.693  40.521  1.00 85.42           N  
+ATOM   3026  CA  ALA B 578       9.596  14.484  41.747  1.00 85.42           C  
+ATOM   3027  C   ALA B 578       8.246  15.122  42.064  1.00 85.42           C  
+ATOM   3028  CB  ALA B 578      10.674  15.558  41.629  1.00 85.42           C  
+ATOM   3029  O   ALA B 578       7.907  15.326  43.232  1.00 85.42           O  
+ATOM   3030  N   CYS B 579       7.422  15.404  41.033  1.00 82.74           N  
+ATOM   3031  CA  CYS B 579       6.146  16.090  41.209  1.00 82.74           C  
+ATOM   3032  C   CYS B 579       5.002  15.091  41.331  1.00 82.74           C  
+ATOM   3033  CB  CYS B 579       5.884  17.040  40.041  1.00 82.74           C  
+ATOM   3034  O   CYS B 579       3.866  15.474  41.615  1.00 82.74           O  
+ATOM   3035  SG  CYS B 579       7.049  18.417  39.946  1.00 82.74           S  
+ATOM   3036  N   ALA B 580       5.288  13.763  41.092  1.00 79.96           N  
+ATOM   3037  CA  ALA B 580       4.257  12.729  41.116  1.00 79.96           C  
+ATOM   3038  C   ALA B 580       3.801  12.442  42.544  1.00 79.96           C  
+ATOM   3039  CB  ALA B 580       4.770  11.451  40.457  1.00 79.96           C  
+ATOM   3040  O   ALA B 580       4.558  11.886  43.344  1.00 79.96           O  
+ATOM   3041  N   ASP B 581       2.632  12.936  43.027  1.00 85.28           N  
+ATOM   3042  CA  ASP B 581       2.158  12.850  44.405  1.00 85.28           C  
+ATOM   3043  C   ASP B 581       1.429  11.532  44.653  1.00 85.28           C  
+ATOM   3044  CB  ASP B 581       1.239  14.029  44.731  1.00 85.28           C  
+ATOM   3045  O   ASP B 581       1.483  10.985  45.757  1.00 85.28           O  
+ATOM   3046  CG  ASP B 581       0.105  14.191  43.735  1.00 85.28           C  
+ATOM   3047  OD1 ASP B 581       0.168  13.595  42.637  1.00 85.28           O  
+ATOM   3048  OD2 ASP B 581      -0.859  14.922  44.048  1.00 85.28           O  
+ATOM   3049  N   ALA B 582       0.704  11.012  43.775  1.00 87.68           N  
+ATOM   3050  CA  ALA B 582      -0.079   9.787  43.917  1.00 87.68           C  
+ATOM   3051  C   ALA B 582      -0.310   9.124  42.562  1.00 87.68           C  
+ATOM   3052  CB  ALA B 582      -1.414  10.085  44.595  1.00 87.68           C  
+ATOM   3053  O   ALA B 582      -0.223   9.778  41.520  1.00 87.68           O  
+ATOM   3054  N   THR B 583      -0.469   7.792  42.599  1.00 89.66           N  
+ATOM   3055  CA  THR B 583      -0.840   7.061  41.393  1.00 89.66           C  
+ATOM   3056  C   THR B 583      -2.354   6.889  41.308  1.00 89.66           C  
+ATOM   3057  CB  THR B 583      -0.161   5.679  41.347  1.00 89.66           C  
+ATOM   3058  O   THR B 583      -3.060   7.064  42.303  1.00 89.66           O  
+ATOM   3059  CG2 THR B 583       1.349   5.802  41.526  1.00 89.66           C  
+ATOM   3060  OG1 THR B 583      -0.690   4.858  42.395  1.00 89.66           O  
+ATOM   3061  N   LEU B 584      -2.867   6.759  40.112  1.00 91.47           N  
+ATOM   3062  CA  LEU B 584      -4.291   6.499  39.934  1.00 91.47           C  
+ATOM   3063  C   LEU B 584      -4.737   5.310  40.779  1.00 91.47           C  
+ATOM   3064  CB  LEU B 584      -4.609   6.239  38.459  1.00 91.47           C  
+ATOM   3065  O   LEU B 584      -5.818   5.335  41.372  1.00 91.47           O  
+ATOM   3066  CG  LEU B 584      -6.085   6.051  38.106  1.00 91.47           C  
+ATOM   3067  CD1 LEU B 584      -6.883   7.293  38.489  1.00 91.47           C  
+ATOM   3068  CD2 LEU B 584      -6.245   5.743  36.621  1.00 91.47           C  
+ATOM   3069  N   SER B 585      -3.923   4.316  40.941  1.00 90.93           N  
+ATOM   3070  CA  SER B 585      -4.232   3.137  41.743  1.00 90.93           C  
+ATOM   3071  C   SER B 585      -4.399   3.498  43.215  1.00 90.93           C  
+ATOM   3072  CB  SER B 585      -3.135   2.082  41.590  1.00 90.93           C  
+ATOM   3073  O   SER B 585      -5.309   3.002  43.883  1.00 90.93           O  
+ATOM   3074  OG  SER B 585      -3.458   0.911  42.321  1.00 90.93           O  
+ATOM   3075  N   GLN B 586      -3.568   4.377  43.661  1.00 92.29           N  
+ATOM   3076  CA  GLN B 586      -3.629   4.822  45.049  1.00 92.29           C  
+ATOM   3077  C   GLN B 586      -4.897   5.629  45.313  1.00 92.29           C  
+ATOM   3078  CB  GLN B 586      -2.395   5.655  45.401  1.00 92.29           C  
+ATOM   3079  O   GLN B 586      -5.558   5.439  46.336  1.00 92.29           O  
+ATOM   3080  CG  GLN B 586      -1.115   4.838  45.519  1.00 92.29           C  
+ATOM   3081  CD  GLN B 586       0.123   5.703  45.655  1.00 92.29           C  
+ATOM   3082  NE2 GLN B 586       1.162   5.159  46.279  1.00 92.29           N  
+ATOM   3083  OE1 GLN B 586       0.147   6.852  45.201  1.00 92.29           O  
+ATOM   3084  N   ILE B 587      -5.245   6.436  44.359  1.00 92.06           N  
+ATOM   3085  CA  ILE B 587      -6.367   7.354  44.527  1.00 92.06           C  
+ATOM   3086  C   ILE B 587      -7.682   6.584  44.431  1.00 92.06           C  
+ATOM   3087  CB  ILE B 587      -6.331   8.488  43.478  1.00 92.06           C  
+ATOM   3088  O   ILE B 587      -8.666   6.941  45.084  1.00 92.06           O  
+ATOM   3089  CG1 ILE B 587      -5.110   9.386  43.704  1.00 92.06           C  
+ATOM   3090  CG2 ILE B 587      -7.627   9.304  43.521  1.00 92.06           C  
+ATOM   3091  CD1 ILE B 587      -4.901  10.432  42.617  1.00 92.06           C  
+ATOM   3092  N   THR B 588      -7.680   5.504  43.727  1.00 94.39           N  
+ATOM   3093  CA  THR B 588      -8.927   4.795  43.464  1.00 94.39           C  
+ATOM   3094  C   THR B 588      -9.021   3.531  44.315  1.00 94.39           C  
+ATOM   3095  CB  THR B 588      -9.055   4.424  41.975  1.00 94.39           C  
+ATOM   3096  O   THR B 588      -9.877   2.678  44.076  1.00 94.39           O  
+ATOM   3097  CG2 THR B 588      -9.064   5.671  41.097  1.00 94.39           C  
+ATOM   3098  OG1 THR B 588      -7.949   3.595  41.597  1.00 94.39           O  
+ATOM   3099  N   ASN B 589      -8.160   3.454  45.336  1.00 93.61           N  
+ATOM   3100  CA  ASN B 589      -8.072   2.255  46.163  1.00 93.61           C  
+ATOM   3101  C   ASN B 589      -9.406   1.937  46.833  1.00 93.61           C  
+ATOM   3102  CB  ASN B 589      -6.972   2.408  47.215  1.00 93.61           C  
+ATOM   3103  O   ASN B 589      -9.743   0.769  47.032  1.00 93.61           O  
+ATOM   3104  CG  ASN B 589      -6.652   1.104  47.919  1.00 93.61           C  
+ATOM   3105  ND2 ASN B 589      -6.303   1.190  49.197  1.00 93.61           N  
+ATOM   3106  OD1 ASN B 589      -6.718   0.028  47.319  1.00 93.61           O  
+ATOM   3107  N   ASN B 590     -10.186   2.946  47.090  1.00 94.40           N  
+ATOM   3108  CA  ASN B 590     -11.426   2.758  47.835  1.00 94.40           C  
+ATOM   3109  C   ASN B 590     -12.619   2.575  46.901  1.00 94.40           C  
+ATOM   3110  CB  ASN B 590     -11.668   3.936  48.781  1.00 94.40           C  
+ATOM   3111  O   ASN B 590     -13.746   2.380  47.358  1.00 94.40           O  
+ATOM   3112  CG  ASN B 590     -10.612   4.042  49.864  1.00 94.40           C  
+ATOM   3113  ND2 ASN B 590     -10.329   5.264  50.299  1.00 94.40           N  
+ATOM   3114  OD1 ASN B 590     -10.054   3.034  50.305  1.00 94.40           O  
+ATOM   3115  N   ILE B 591     -12.341   2.569  45.629  1.00 94.44           N  
+ATOM   3116  CA  ILE B 591     -13.409   2.385  44.653  1.00 94.44           C  
+ATOM   3117  C   ILE B 591     -13.537   0.904  44.301  1.00 94.44           C  
+ATOM   3118  CB  ILE B 591     -13.160   3.220  43.377  1.00 94.44           C  
+ATOM   3119  O   ILE B 591     -12.539   0.242  44.007  1.00 94.44           O  
+ATOM   3120  CG1 ILE B 591     -13.141   4.715  43.712  1.00 94.44           C  
+ATOM   3121  CG2 ILE B 591     -14.217   2.910  42.314  1.00 94.44           C  
+ATOM   3122  CD1 ILE B 591     -12.819   5.612  42.525  1.00 94.44           C  
+ATOM   3123  N   ASP B 592     -14.761   0.429  44.361  1.00 94.51           N  
+ATOM   3124  CA  ASP B 592     -15.004  -0.977  44.054  1.00 94.51           C  
+ATOM   3125  C   ASP B 592     -14.779  -1.262  42.571  1.00 94.51           C  
+ATOM   3126  CB  ASP B 592     -16.424  -1.377  44.457  1.00 94.51           C  
+ATOM   3127  O   ASP B 592     -15.099  -0.431  41.718  1.00 94.51           O  
+ATOM   3128  CG  ASP B 592     -16.640  -1.366  45.961  1.00 94.51           C  
+ATOM   3129  OD1 ASP B 592     -15.682  -1.639  46.716  1.00 94.51           O  
+ATOM   3130  OD2 ASP B 592     -17.778  -1.084  46.394  1.00 94.51           O  
+ATOM   3131  N   PRO B 593     -14.179  -2.470  42.337  1.00 94.30           N  
+ATOM   3132  CA  PRO B 593     -14.067  -2.881  40.935  1.00 94.30           C  
+ATOM   3133  C   PRO B 593     -15.426  -3.072  40.266  1.00 94.30           C  
+ATOM   3134  CB  PRO B 593     -13.307  -4.207  41.016  1.00 94.30           C  
+ATOM   3135  O   PRO B 593     -16.423  -3.326  40.947  1.00 94.30           O  
+ATOM   3136  CG  PRO B 593     -12.720  -4.228  42.391  1.00 94.30           C  
+ATOM   3137  CD  PRO B 593     -13.558  -3.355  43.280  1.00 94.30           C  
+ATOM   3138  N   VAL B 594     -15.582  -2.777  38.959  1.00 93.62           N  
+ATOM   3139  CA  VAL B 594     -16.813  -2.853  38.179  1.00 93.62           C  
+ATOM   3140  C   VAL B 594     -17.343  -4.285  38.188  1.00 93.62           C  
+ATOM   3141  CB  VAL B 594     -16.593  -2.376  36.726  1.00 93.62           C  
+ATOM   3142  O   VAL B 594     -18.556  -4.504  38.217  1.00 93.62           O  
+ATOM   3143  CG1 VAL B 594     -17.840  -2.628  35.880  1.00 93.62           C  
+ATOM   3144  CG2 VAL B 594     -16.218  -0.895  36.702  1.00 93.62           C  
+ATOM   3145  N   GLY B 595     -16.591  -5.317  38.530  1.00 92.69           N  
+ATOM   3146  CA  GLY B 595     -16.977  -6.717  38.446  1.00 92.69           C  
+ATOM   3147  C   GLY B 595     -17.070  -7.225  37.020  1.00 92.69           C  
+ATOM   3148  O   GLY B 595     -16.699  -6.521  36.078  1.00 92.69           O  
+ATOM   3149  N   ARG B 596     -17.501  -8.525  36.888  1.00 94.28           N  
+ATOM   3150  CA  ARG B 596     -17.599  -9.192  35.594  1.00 94.28           C  
+ATOM   3151  C   ARG B 596     -18.754  -8.628  34.774  1.00 94.28           C  
+ATOM   3152  CB  ARG B 596     -17.776 -10.701  35.779  1.00 94.28           C  
+ATOM   3153  O   ARG B 596     -19.879  -8.521  35.267  1.00 94.28           O  
+ATOM   3154  CG  ARG B 596     -17.680 -11.495  34.486  1.00 94.28           C  
+ATOM   3155  CD  ARG B 596     -17.778 -12.994  34.736  1.00 94.28           C  
+ATOM   3156  NE  ARG B 596     -17.690 -13.755  33.492  1.00 94.28           N  
+ATOM   3157  NH1 ARG B 596     -18.011 -15.814  34.488  1.00 94.28           N  
+ATOM   3158  NH2 ARG B 596     -17.707 -15.667  32.221  1.00 94.28           N  
+ATOM   3159  CZ  ARG B 596     -17.803 -15.077  33.403  1.00 94.28           C  
+ATOM   3160  N   ILE B 597     -18.395  -8.157  33.559  1.00 93.55           N  
+ATOM   3161  CA  ILE B 597     -19.375  -7.619  32.622  1.00 93.55           C  
+ATOM   3162  C   ILE B 597     -19.612  -8.618  31.492  1.00 93.55           C  
+ATOM   3163  CB  ILE B 597     -18.920  -6.258  32.047  1.00 93.55           C  
+ATOM   3164  O   ILE B 597     -18.661  -9.100  30.872  1.00 93.55           O  
+ATOM   3165  CG1 ILE B 597     -18.811  -5.216  33.166  1.00 93.55           C  
+ATOM   3166  CG2 ILE B 597     -19.880  -5.787  30.951  1.00 93.55           C  
+ATOM   3167  CD1 ILE B 597     -18.342  -3.847  32.692  1.00 93.55           C  
+ATOM   3168  N   GLN B 598     -20.864  -8.923  31.327  1.00 91.97           N  
+ATOM   3169  CA  GLN B 598     -21.232  -9.788  30.211  1.00 91.97           C  
+ATOM   3170  C   GLN B 598     -22.121  -9.050  29.213  1.00 91.97           C  
+ATOM   3171  CB  GLN B 598     -21.941 -11.045  30.717  1.00 91.97           C  
+ATOM   3172  O   GLN B 598     -23.209  -8.590  29.566  1.00 91.97           O  
+ATOM   3173  CG  GLN B 598     -22.073 -12.141  29.668  1.00 91.97           C  
+ATOM   3174  CD  GLN B 598     -22.628 -13.433  30.236  1.00 91.97           C  
+ATOM   3175  NE2 GLN B 598     -22.630 -14.485  29.425  1.00 91.97           N  
+ATOM   3176  OE1 GLN B 598     -23.050 -13.487  31.396  1.00 91.97           O  
+ATOM   3177  N   MET B 599     -21.582  -8.853  28.010  1.00 94.19           N  
+ATOM   3178  CA  MET B 599     -22.354  -8.256  26.924  1.00 94.19           C  
+ATOM   3179  C   MET B 599     -22.718  -9.302  25.875  1.00 94.19           C  
+ATOM   3180  CB  MET B 599     -21.573  -7.113  26.274  1.00 94.19           C  
+ATOM   3181  O   MET B 599     -21.944 -10.227  25.621  1.00 94.19           O  
+ATOM   3182  CG  MET B 599     -21.303  -5.946  27.209  1.00 94.19           C  
+ATOM   3183  SD  MET B 599     -20.421  -4.568  26.378  1.00 94.19           S  
+ATOM   3184  CE  MET B 599     -20.279  -3.399  27.758  1.00 94.19           C  
+ATOM   3185  N   ARG B 600     -23.922  -9.224  25.409  1.00 94.00           N  
+ATOM   3186  CA  ARG B 600     -24.332 -10.171  24.377  1.00 94.00           C  
+ATOM   3187  C   ARG B 600     -24.505  -9.475  23.032  1.00 94.00           C  
+ATOM   3188  CB  ARG B 600     -25.634 -10.870  24.776  1.00 94.00           C  
+ATOM   3189  O   ARG B 600     -24.795  -8.278  22.979  1.00 94.00           O  
+ATOM   3190  CG  ARG B 600     -25.535 -11.665  26.069  1.00 94.00           C  
+ATOM   3191  CD  ARG B 600     -26.856 -12.333  26.423  1.00 94.00           C  
+ATOM   3192  NE  ARG B 600     -26.756 -13.105  27.658  1.00 94.00           N  
+ATOM   3193  NH1 ARG B 600     -28.918 -13.914  27.571  1.00 94.00           N  
+ATOM   3194  NH2 ARG B 600     -27.538 -14.502  29.304  1.00 94.00           N  
+ATOM   3195  CZ  ARG B 600     -27.738 -13.839  28.175  1.00 94.00           C  
+ATOM   3196  N   THR B 601     -24.278 -10.283  22.018  1.00 94.88           N  
+ATOM   3197  CA  THR B 601     -24.532  -9.788  20.670  1.00 94.88           C  
+ATOM   3198  C   THR B 601     -26.031  -9.682  20.406  1.00 94.88           C  
+ATOM   3199  CB  THR B 601     -23.884 -10.698  19.610  1.00 94.88           C  
+ATOM   3200  O   THR B 601     -26.746 -10.685  20.445  1.00 94.88           O  
+ATOM   3201  CG2 THR B 601     -24.050 -10.115  18.210  1.00 94.88           C  
+ATOM   3202  OG1 THR B 601     -22.487 -10.835  19.895  1.00 94.88           O  
+ATOM   3203  N   ARG B 602     -26.445  -8.445  20.082  1.00 94.24           N  
+ATOM   3204  CA  ARG B 602     -27.866  -8.227  19.828  1.00 94.24           C  
+ATOM   3205  C   ARG B 602     -28.183  -8.358  18.342  1.00 94.24           C  
+ATOM   3206  CB  ARG B 602     -28.297  -6.850  20.337  1.00 94.24           C  
+ATOM   3207  O   ARG B 602     -29.216  -8.918  17.970  1.00 94.24           O  
+ATOM   3208  CG  ARG B 602     -28.373  -6.748  21.852  1.00 94.24           C  
+ATOM   3209  CD  ARG B 602     -29.624  -7.419  22.401  1.00 94.24           C  
+ATOM   3210  NE  ARG B 602     -29.799  -7.151  23.825  1.00 94.24           N  
+ATOM   3211  NH1 ARG B 602     -31.700  -8.445  24.047  1.00 94.24           N  
+ATOM   3212  NH2 ARG B 602     -30.845  -7.335  25.861  1.00 94.24           N  
+ATOM   3213  CZ  ARG B 602     -30.781  -7.644  24.574  1.00 94.24           C  
+ATOM   3214  N   ARG B 603     -27.235  -7.861  17.601  1.00 96.17           N  
+ATOM   3215  CA  ARG B 603     -27.439  -7.887  16.156  1.00 96.17           C  
+ATOM   3216  C   ARG B 603     -26.127  -8.147  15.423  1.00 96.17           C  
+ATOM   3217  CB  ARG B 603     -28.056  -6.572  15.676  1.00 96.17           C  
+ATOM   3218  O   ARG B 603     -25.055  -7.780  15.910  1.00 96.17           O  
+ATOM   3219  CG  ARG B 603     -29.364  -6.218  16.365  1.00 96.17           C  
+ATOM   3220  CD  ARG B 603     -30.557  -6.872  15.682  1.00 96.17           C  
+ATOM   3221  NE  ARG B 603     -31.822  -6.341  16.181  1.00 96.17           N  
+ATOM   3222  NH1 ARG B 603     -33.149  -7.757  14.928  1.00 96.17           N  
+ATOM   3223  NH2 ARG B 603     -34.111  -6.219  16.330  1.00 96.17           N  
+ATOM   3224  CZ  ARG B 603     -33.024  -6.773  15.812  1.00 96.17           C  
+ATOM   3225  N   THR B 604     -26.325  -8.818  14.320  1.00 97.01           N  
+ATOM   3226  CA  THR B 604     -25.221  -8.996  13.384  1.00 97.01           C  
+ATOM   3227  C   THR B 604     -25.540  -8.346  12.040  1.00 97.01           C  
+ATOM   3228  CB  THR B 604     -24.901 -10.487  13.173  1.00 97.01           C  
+ATOM   3229  O   THR B 604     -26.542  -8.681  11.405  1.00 97.01           O  
+ATOM   3230  CG2 THR B 604     -23.720 -10.668  12.225  1.00 97.01           C  
+ATOM   3231  OG1 THR B 604     -24.582 -11.085  14.435  1.00 97.01           O  
+ATOM   3232  N   LEU B 605     -24.695  -7.344  11.705  1.00 97.66           N  
+ATOM   3233  CA  LEU B 605     -24.884  -6.676  10.422  1.00 97.66           C  
+ATOM   3234  C   LEU B 605     -24.150  -7.418   9.310  1.00 97.66           C  
+ATOM   3235  CB  LEU B 605     -24.395  -5.227  10.494  1.00 97.66           C  
+ATOM   3236  O   LEU B 605     -22.918  -7.456   9.292  1.00 97.66           O  
+ATOM   3237  CG  LEU B 605     -24.919  -4.392  11.664  1.00 97.66           C  
+ATOM   3238  CD1 LEU B 605     -24.386  -2.966  11.577  1.00 97.66           C  
+ATOM   3239  CD2 LEU B 605     -26.444  -4.399  11.685  1.00 97.66           C  
+ATOM   3240  N   ARG B 606     -24.990  -7.976   8.369  1.00 96.25           N  
+ATOM   3241  CA  ARG B 606     -24.464  -8.774   7.266  1.00 96.25           C  
+ATOM   3242  C   ARG B 606     -24.590  -8.029   5.942  1.00 96.25           C  
+ATOM   3243  CB  ARG B 606     -25.190 -10.119   7.182  1.00 96.25           C  
+ATOM   3244  O   ARG B 606     -25.624  -7.417   5.663  1.00 96.25           O  
+ATOM   3245  CG  ARG B 606     -25.067 -10.965   8.439  1.00 96.25           C  
+ATOM   3246  CD  ARG B 606     -25.909 -12.230   8.351  1.00 96.25           C  
+ATOM   3247  NE  ARG B 606     -25.853 -13.002   9.590  1.00 96.25           N  
+ATOM   3248  NH1 ARG B 606     -23.938 -14.164   9.023  1.00 96.25           N  
+ATOM   3249  NH2 ARG B 606     -24.963 -14.547  11.037  1.00 96.25           N  
+ATOM   3250  CZ  ARG B 606     -24.918 -13.902   9.880  1.00 96.25           C  
+ATOM   3251  N   GLY B 607     -23.527  -8.053   5.179  1.00 94.07           N  
+ATOM   3252  CA  GLY B 607     -23.561  -7.401   3.879  1.00 94.07           C  
+ATOM   3253  C   GLY B 607     -22.197  -7.309   3.222  1.00 94.07           C  
+ATOM   3254  O   GLY B 607     -22.027  -7.720   2.072  1.00 94.07           O  
+ATOM   3255  N   HIS B 608     -21.255  -6.949   3.986  1.00 96.89           N  
+ATOM   3256  CA  HIS B 608     -19.913  -6.893   3.417  1.00 96.89           C  
+ATOM   3257  C   HIS B 608     -19.441  -8.276   2.980  1.00 96.89           C  
+ATOM   3258  CB  HIS B 608     -18.928  -6.298   4.426  1.00 96.89           C  
+ATOM   3259  O   HIS B 608     -19.828  -9.285   3.574  1.00 96.89           O  
+ATOM   3260  CG  HIS B 608     -18.980  -4.805   4.504  1.00 96.89           C  
+ATOM   3261  CD2 HIS B 608     -19.232  -3.978   5.546  1.00 96.89           C  
+ATOM   3262  ND1 HIS B 608     -18.758  -3.994   3.412  1.00 96.89           N  
+ATOM   3263  CE1 HIS B 608     -18.870  -2.729   3.781  1.00 96.89           C  
+ATOM   3264  NE2 HIS B 608     -19.157  -2.692   5.071  1.00 96.89           N  
+ATOM   3265  N   LEU B 609     -18.582  -8.321   1.944  1.00 92.81           N  
+ATOM   3266  CA  LEU B 609     -18.141  -9.577   1.347  1.00 92.81           C  
+ATOM   3267  C   LEU B 609     -16.666  -9.831   1.641  1.00 92.81           C  
+ATOM   3268  CB  LEU B 609     -18.376  -9.562  -0.166  1.00 92.81           C  
+ATOM   3269  O   LEU B 609     -16.087 -10.798   1.142  1.00 92.81           O  
+ATOM   3270  CG  LEU B 609     -19.819  -9.345  -0.626  1.00 92.81           C  
+ATOM   3271  CD1 LEU B 609     -19.885  -9.277  -2.148  1.00 92.81           C  
+ATOM   3272  CD2 LEU B 609     -20.722 -10.452  -0.094  1.00 92.81           C  
+ATOM   3273  N   ALA B 610     -16.066  -8.879   2.275  1.00 93.00           N  
+ATOM   3274  CA  ALA B 610     -14.649  -8.991   2.611  1.00 93.00           C  
+ATOM   3275  C   ALA B 610     -14.353  -8.346   3.962  1.00 93.00           C  
+ATOM   3276  CB  ALA B 610     -13.791  -8.353   1.521  1.00 93.00           C  
+ATOM   3277  O   ALA B 610     -15.267  -8.098   4.752  1.00 93.00           O  
+ATOM   3278  N   LYS B 611     -13.119  -8.178   4.329  1.00 95.55           N  
+ATOM   3279  CA  LYS B 611     -12.655  -7.673   5.617  1.00 95.55           C  
+ATOM   3280  C   LYS B 611     -13.145  -6.247   5.857  1.00 95.55           C  
+ATOM   3281  CB  LYS B 611     -11.128  -7.722   5.695  1.00 95.55           C  
+ATOM   3282  O   LYS B 611     -13.076  -5.403   4.962  1.00 95.55           O  
+ATOM   3283  CG  LYS B 611     -10.549  -9.126   5.604  1.00 95.55           C  
+ATOM   3284  CD  LYS B 611      -9.027  -9.101   5.557  1.00 95.55           C  
+ATOM   3285  CE  LYS B 611      -8.446 -10.505   5.457  1.00 95.55           C  
+ATOM   3286  NZ  LYS B 611      -6.961 -10.481   5.301  1.00 95.55           N  
+ATOM   3287  N   ILE B 612     -13.605  -6.037   7.017  1.00 98.00           N  
+ATOM   3288  CA  ILE B 612     -14.001  -4.698   7.438  1.00 98.00           C  
+ATOM   3289  C   ILE B 612     -12.825  -4.004   8.123  1.00 98.00           C  
+ATOM   3290  CB  ILE B 612     -15.222  -4.740   8.383  1.00 98.00           C  
+ATOM   3291  O   ILE B 612     -12.279  -4.516   9.103  1.00 98.00           O  
+ATOM   3292  CG1 ILE B 612     -16.433  -5.347   7.664  1.00 98.00           C  
+ATOM   3293  CG2 ILE B 612     -15.545  -3.340   8.912  1.00 98.00           C  
+ATOM   3294  CD1 ILE B 612     -17.595  -5.686   8.587  1.00 98.00           C  
+ATOM   3295  N   TYR B 613     -12.520  -2.743   7.693  1.00 96.98           N  
+ATOM   3296  CA  TYR B 613     -11.336  -2.058   8.200  1.00 96.98           C  
+ATOM   3297  C   TYR B 613     -11.723  -0.937   9.157  1.00 96.98           C  
+ATOM   3298  CB  TYR B 613     -10.506  -1.493   7.043  1.00 96.98           C  
+ATOM   3299  O   TYR B 613     -10.945  -0.572  10.042  1.00 96.98           O  
+ATOM   3300  CG  TYR B 613      -9.492  -2.467   6.492  1.00 96.98           C  
+ATOM   3301  CD1 TYR B 613      -8.215  -2.557   7.040  1.00 96.98           C  
+ATOM   3302  CD2 TYR B 613      -9.809  -3.296   5.422  1.00 96.98           C  
+ATOM   3303  CE1 TYR B 613      -7.277  -3.452   6.534  1.00 96.98           C  
+ATOM   3304  CE2 TYR B 613      -8.879  -4.194   4.908  1.00 96.98           C  
+ATOM   3305  OH  TYR B 613      -6.694  -5.152   4.965  1.00 96.98           O  
+ATOM   3306  CZ  TYR B 613      -7.618  -4.265   5.470  1.00 96.98           C  
+ATOM   3307  N   ALA B 614     -12.842  -0.381   8.906  1.00 97.83           N  
+ATOM   3308  CA  ALA B 614     -13.196   0.771   9.732  1.00 97.83           C  
+ATOM   3309  C   ALA B 614     -14.711   0.934   9.826  1.00 97.83           C  
+ATOM   3310  CB  ALA B 614     -12.561   2.042   9.173  1.00 97.83           C  
+ATOM   3311  O   ALA B 614     -15.443   0.515   8.926  1.00 97.83           O  
+ATOM   3312  N   MET B 615     -15.115   1.471  10.923  1.00 98.07           N  
+ATOM   3313  CA  MET B 615     -16.513   1.827  11.148  1.00 98.07           C  
+ATOM   3314  C   MET B 615     -16.624   3.100  11.979  1.00 98.07           C  
+ATOM   3315  CB  MET B 615     -17.254   0.683  11.842  1.00 98.07           C  
+ATOM   3316  O   MET B 615     -15.678   3.479  12.672  1.00 98.07           O  
+ATOM   3317  CG  MET B 615     -16.757   0.394  13.249  1.00 98.07           C  
+ATOM   3318  SD  MET B 615     -17.570   1.447  14.512  1.00 98.07           S  
+ATOM   3319  CE  MET B 615     -19.296   0.930  14.297  1.00 98.07           C  
+ATOM   3320  N   HIS B 616     -17.659   3.855  11.766  1.00 98.34           N  
+ATOM   3321  CA  HIS B 616     -17.909   5.058  12.552  1.00 98.34           C  
+ATOM   3322  C   HIS B 616     -19.403   5.290  12.745  1.00 98.34           C  
+ATOM   3323  CB  HIS B 616     -17.271   6.277  11.882  1.00 98.34           C  
+ATOM   3324  O   HIS B 616     -20.180   5.188  11.793  1.00 98.34           O  
+ATOM   3325  CG  HIS B 616     -17.222   7.487  12.760  1.00 98.34           C  
+ATOM   3326  CD2 HIS B 616     -16.704   7.666  13.998  1.00 98.34           C  
+ATOM   3327  ND1 HIS B 616     -17.756   8.700  12.384  1.00 98.34           N  
+ATOM   3328  CE1 HIS B 616     -17.567   9.577  13.356  1.00 98.34           C  
+ATOM   3329  NE2 HIS B 616     -16.931   8.975  14.347  1.00 98.34           N  
+ATOM   3330  N   TRP B 617     -19.767   5.569  14.015  1.00 98.02           N  
+ATOM   3331  CA  TRP B 617     -21.159   5.877  14.328  1.00 98.02           C  
+ATOM   3332  C   TRP B 617     -21.528   7.277  13.848  1.00 98.02           C  
+ATOM   3333  CB  TRP B 617     -21.410   5.757  15.834  1.00 98.02           C  
+ATOM   3334  O   TRP B 617     -20.702   8.192  13.889  1.00 98.02           O  
+ATOM   3335  CG  TRP B 617     -21.442   4.345  16.335  1.00 98.02           C  
+ATOM   3336  CD1 TRP B 617     -20.456   3.691  17.020  1.00 98.02           C  
+ATOM   3337  CD2 TRP B 617     -22.514   3.409  16.186  1.00 98.02           C  
+ATOM   3338  CE2 TRP B 617     -22.109   2.206  16.806  1.00 98.02           C  
+ATOM   3339  CE3 TRP B 617     -23.780   3.471  15.587  1.00 98.02           C  
+ATOM   3340  NE1 TRP B 617     -20.851   2.405  17.307  1.00 98.02           N  
+ATOM   3341  CH2 TRP B 617     -24.159   1.162  16.252  1.00 98.02           C  
+ATOM   3342  CZ2 TRP B 617     -22.926   1.074  16.845  1.00 98.02           C  
+ATOM   3343  CZ3 TRP B 617     -24.591   2.343  15.627  1.00 98.02           C  
+ATOM   3344  N   GLY B 618     -22.719   7.388  13.370  1.00 97.09           N  
+ATOM   3345  CA  GLY B 618     -23.288   8.717  13.209  1.00 97.09           C  
+ATOM   3346  C   GLY B 618     -23.685   9.360  14.525  1.00 97.09           C  
+ATOM   3347  O   GLY B 618     -23.742   8.688  15.557  1.00 97.09           O  
+ATOM   3348  N   THR B 619     -23.980  10.649  14.511  1.00 95.07           N  
+ATOM   3349  CA  THR B 619     -24.283  11.373  15.741  1.00 95.07           C  
+ATOM   3350  C   THR B 619     -25.694  11.051  16.224  1.00 95.07           C  
+ATOM   3351  CB  THR B 619     -24.139  12.894  15.544  1.00 95.07           C  
+ATOM   3352  O   THR B 619     -26.046  11.342  17.369  1.00 95.07           O  
+ATOM   3353  CG2 THR B 619     -22.683  13.283  15.315  1.00 95.07           C  
+ATOM   3354  OG1 THR B 619     -24.915  13.298  14.409  1.00 95.07           O  
+ATOM   3355  N   ASP B 620     -26.475  10.352  15.458  1.00 95.15           N  
+ATOM   3356  CA  ASP B 620     -27.854  10.025  15.810  1.00 95.15           C  
+ATOM   3357  C   ASP B 620     -27.922   8.734  16.623  1.00 95.15           C  
+ATOM   3358  CB  ASP B 620     -28.714   9.899  14.551  1.00 95.15           C  
+ATOM   3359  O   ASP B 620     -29.011   8.259  16.953  1.00 95.15           O  
+ATOM   3360  CG  ASP B 620     -28.235   8.804  13.613  1.00 95.15           C  
+ATOM   3361  OD1 ASP B 620     -27.238   8.122  13.931  1.00 95.15           O  
+ATOM   3362  OD2 ASP B 620     -28.860   8.625  12.545  1.00 95.15           O  
+ATOM   3363  N   SER B 621     -26.771   8.090  16.962  1.00 95.29           N  
+ATOM   3364  CA  SER B 621     -26.644   6.872  17.755  1.00 95.29           C  
+ATOM   3365  C   SER B 621     -27.444   5.727  17.143  1.00 95.29           C  
+ATOM   3366  CB  SER B 621     -27.107   7.116  19.192  1.00 95.29           C  
+ATOM   3367  O   SER B 621     -27.865   4.809  17.850  1.00 95.29           O  
+ATOM   3368  OG  SER B 621     -26.288   8.084  19.827  1.00 95.29           O  
+ATOM   3369  N   ARG B 622     -27.675   5.876  15.867  1.00 95.63           N  
+ATOM   3370  CA  ARG B 622     -28.459   4.872  15.155  1.00 95.63           C  
+ATOM   3371  C   ARG B 622     -27.733   4.399  13.900  1.00 95.63           C  
+ATOM   3372  CB  ARG B 622     -29.836   5.428  14.786  1.00 95.63           C  
+ATOM   3373  O   ARG B 622     -27.485   3.203  13.734  1.00 95.63           O  
+ATOM   3374  CG  ARG B 622     -30.689   4.470  13.969  1.00 95.63           C  
+ATOM   3375  CD  ARG B 622     -32.091   5.018  13.740  1.00 95.63           C  
+ATOM   3376  NE  ARG B 622     -32.869   4.154  12.857  1.00 95.63           N  
+ATOM   3377  NH1 ARG B 622     -34.824   5.369  13.052  1.00 95.63           N  
+ATOM   3378  NH2 ARG B 622     -34.761   3.493  11.735  1.00 95.63           N  
+ATOM   3379  CZ  ARG B 622     -34.150   4.341  12.550  1.00 95.63           C  
+ATOM   3380  N   LEU B 623     -27.327   5.305  13.075  1.00 97.48           N  
+ATOM   3381  CA  LEU B 623     -26.687   4.966  11.809  1.00 97.48           C  
+ATOM   3382  C   LEU B 623     -25.182   4.796  11.988  1.00 97.48           C  
+ATOM   3383  CB  LEU B 623     -26.969   6.045  10.760  1.00 97.48           C  
+ATOM   3384  O   LEU B 623     -24.577   5.449  12.842  1.00 97.48           O  
+ATOM   3385  CG  LEU B 623     -28.437   6.260  10.386  1.00 97.48           C  
+ATOM   3386  CD1 LEU B 623     -28.562   7.369   9.347  1.00 97.48           C  
+ATOM   3387  CD2 LEU B 623     -29.052   4.964   9.869  1.00 97.48           C  
+ATOM   3388  N   LEU B 624     -24.683   3.913  11.286  1.00 97.51           N  
+ATOM   3389  CA  LEU B 624     -23.237   3.716  11.294  1.00 97.51           C  
+ATOM   3390  C   LEU B 624     -22.719   3.435   9.888  1.00 97.51           C  
+ATOM   3391  CB  LEU B 624     -22.859   2.564  12.230  1.00 97.51           C  
+ATOM   3392  O   LEU B 624     -23.458   2.934   9.038  1.00 97.51           O  
+ATOM   3393  CG  LEU B 624     -23.229   1.157  11.758  1.00 97.51           C  
+ATOM   3394  CD1 LEU B 624     -22.019   0.473  11.131  1.00 97.51           C  
+ATOM   3395  CD2 LEU B 624     -23.778   0.331  12.916  1.00 97.51           C  
+ATOM   3396  N   VAL B 625     -21.530   3.874   9.604  1.00 98.46           N  
+ATOM   3397  CA  VAL B 625     -20.877   3.612   8.326  1.00 98.46           C  
+ATOM   3398  C   VAL B 625     -19.731   2.622   8.524  1.00 98.46           C  
+ATOM   3399  CB  VAL B 625     -20.352   4.913   7.679  1.00 98.46           C  
+ATOM   3400  O   VAL B 625     -19.038   2.661   9.543  1.00 98.46           O  
+ATOM   3401  CG1 VAL B 625     -19.311   5.580   8.578  1.00 98.46           C  
+ATOM   3402  CG2 VAL B 625     -19.764   4.624   6.300  1.00 98.46           C  
+ATOM   3403  N   SER B 626     -19.630   1.688   7.598  1.00 98.61           N  
+ATOM   3404  CA  SER B 626     -18.522   0.739   7.598  1.00 98.61           C  
+ATOM   3405  C   SER B 626     -17.783   0.752   6.264  1.00 98.61           C  
+ATOM   3406  CB  SER B 626     -19.025  -0.674   7.897  1.00 98.61           C  
+ATOM   3407  O   SER B 626     -18.385   1.000   5.217  1.00 98.61           O  
+ATOM   3408  OG  SER B 626     -19.926  -1.110   6.893  1.00 98.61           O  
+ATOM   3409  N   ALA B 627     -16.481   0.536   6.316  1.00 98.03           N  
+ATOM   3410  CA  ALA B 627     -15.618   0.465   5.140  1.00 98.03           C  
+ATOM   3411  C   ALA B 627     -14.959  -0.906   5.025  1.00 98.03           C  
+ATOM   3412  CB  ALA B 627     -14.556   1.560   5.193  1.00 98.03           C  
+ATOM   3413  O   ALA B 627     -14.323  -1.378   5.971  1.00 98.03           O  
+ATOM   3414  N   SER B 628     -15.037  -1.477   3.834  1.00 97.28           N  
+ATOM   3415  CA  SER B 628     -14.579  -2.855   3.683  1.00 97.28           C  
+ATOM   3416  C   SER B 628     -13.685  -3.009   2.458  1.00 97.28           C  
+ATOM   3417  CB  SER B 628     -15.771  -3.808   3.578  1.00 97.28           C  
+ATOM   3418  O   SER B 628     -13.733  -2.187   1.540  1.00 97.28           O  
+ATOM   3419  OG  SER B 628     -15.340  -5.118   3.252  1.00 97.28           O  
+ATOM   3420  N   GLN B 629     -12.925  -4.023   2.529  1.00 92.81           N  
+ATOM   3421  CA  GLN B 629     -12.044  -4.374   1.420  1.00 92.81           C  
+ATOM   3422  C   GLN B 629     -12.845  -4.840   0.208  1.00 92.81           C  
+ATOM   3423  CB  GLN B 629     -11.053  -5.459   1.844  1.00 92.81           C  
+ATOM   3424  O   GLN B 629     -12.289  -5.021  -0.878  1.00 92.81           O  
+ATOM   3425  CG  GLN B 629      -9.912  -5.669   0.858  1.00 92.81           C  
+ATOM   3426  CD  GLN B 629      -8.847  -6.613   1.384  1.00 92.81           C  
+ATOM   3427  NE2 GLN B 629      -7.595  -6.355   1.024  1.00 92.81           N  
+ATOM   3428  OE1 GLN B 629      -9.148  -7.567   2.108  1.00 92.81           O  
+ATOM   3429  N   ASP B 630     -14.004  -5.026   0.376  1.00 92.17           N  
+ATOM   3430  CA  ASP B 630     -14.848  -5.380  -0.762  1.00 92.17           C  
+ATOM   3431  C   ASP B 630     -15.100  -4.169  -1.656  1.00 92.17           C  
+ATOM   3432  CB  ASP B 630     -16.177  -5.966  -0.283  1.00 92.17           C  
+ATOM   3433  O   ASP B 630     -15.832  -4.261  -2.644  1.00 92.17           O  
+ATOM   3434  CG  ASP B 630     -16.988  -4.991   0.553  1.00 92.17           C  
+ATOM   3435  OD1 ASP B 630     -16.628  -3.796   0.616  1.00 92.17           O  
+ATOM   3436  OD2 ASP B 630     -17.994  -5.423   1.157  1.00 92.17           O  
+ATOM   3437  N   GLY B 631     -14.553  -3.030  -1.322  1.00 92.10           N  
+ATOM   3438  CA  GLY B 631     -14.612  -1.824  -2.131  1.00 92.10           C  
+ATOM   3439  C   GLY B 631     -15.893  -1.035  -1.935  1.00 92.10           C  
+ATOM   3440  O   GLY B 631     -16.312  -0.291  -2.823  1.00 92.10           O  
+ATOM   3441  N   LYS B 632     -16.504  -1.213  -0.731  1.00 95.53           N  
+ATOM   3442  CA  LYS B 632     -17.778  -0.534  -0.508  1.00 95.53           C  
+ATOM   3443  C   LYS B 632     -17.810   0.138   0.861  1.00 95.53           C  
+ATOM   3444  CB  LYS B 632     -18.941  -1.519  -0.636  1.00 95.53           C  
+ATOM   3445  O   LYS B 632     -17.234  -0.373   1.824  1.00 95.53           O  
+ATOM   3446  CG  LYS B 632     -19.157  -2.042  -2.048  1.00 95.53           C  
+ATOM   3447  CD  LYS B 632     -20.442  -2.853  -2.153  1.00 95.53           C  
+ATOM   3448  CE  LYS B 632     -20.676  -3.349  -3.574  1.00 95.53           C  
+ATOM   3449  NZ  LYS B 632     -20.990  -4.809  -3.606  1.00 95.53           N  
+ATOM   3450  N   LEU B 633     -18.448   1.276   0.905  1.00 97.58           N  
+ATOM   3451  CA  LEU B 633     -19.008   1.821   2.136  1.00 97.58           C  
+ATOM   3452  C   LEU B 633     -20.469   1.412   2.296  1.00 97.58           C  
+ATOM   3453  CB  LEU B 633     -18.889   3.347   2.151  1.00 97.58           C  
+ATOM   3454  O   LEU B 633     -21.249   1.497   1.346  1.00 97.58           O  
+ATOM   3455  CG  LEU B 633     -17.470   3.916   2.167  1.00 97.58           C  
+ATOM   3456  CD1 LEU B 633     -17.508   5.438   2.077  1.00 97.58           C  
+ATOM   3457  CD2 LEU B 633     -16.727   3.468   3.421  1.00 97.58           C  
+ATOM   3458  N   ILE B 634     -20.764   0.920   3.535  1.00 97.73           N  
+ATOM   3459  CA  ILE B 634     -22.172   0.630   3.783  1.00 97.73           C  
+ATOM   3460  C   ILE B 634     -22.669   1.457   4.967  1.00 97.73           C  
+ATOM   3461  CB  ILE B 634     -22.400  -0.876   4.047  1.00 97.73           C  
+ATOM   3462  O   ILE B 634     -22.021   1.503   6.015  1.00 97.73           O  
+ATOM   3463  CG1 ILE B 634     -22.017  -1.699   2.812  1.00 97.73           C  
+ATOM   3464  CG2 ILE B 634     -23.854  -1.139   4.451  1.00 97.73           C  
+ATOM   3465  CD1 ILE B 634     -22.197  -3.200   2.989  1.00 97.73           C  
+ATOM   3466  N   ILE B 635     -23.768   2.149   4.741  1.00 97.46           N  
+ATOM   3467  CA  ILE B 635     -24.464   2.833   5.826  1.00 97.46           C  
+ATOM   3468  C   ILE B 635     -25.580   1.942   6.365  1.00 97.46           C  
+ATOM   3469  CB  ILE B 635     -25.038   4.191   5.362  1.00 97.46           C  
+ATOM   3470  O   ILE B 635     -26.452   1.504   5.611  1.00 97.46           O  
+ATOM   3471  CG1 ILE B 635     -23.948   5.027   4.682  1.00 97.46           C  
+ATOM   3472  CG2 ILE B 635     -25.653   4.948   6.542  1.00 97.46           C  
+ATOM   3473  CD1 ILE B 635     -22.728   5.283   5.556  1.00 97.46           C  
+ATOM   3474  N   TRP B 636     -25.467   1.733   7.697  1.00 97.70           N  
+ATOM   3475  CA  TRP B 636     -26.365   0.784   8.346  1.00 97.70           C  
+ATOM   3476  C   TRP B 636     -27.344   1.503   9.269  1.00 97.70           C  
+ATOM   3477  CB  TRP B 636     -25.568  -0.257   9.137  1.00 97.70           C  
+ATOM   3478  O   TRP B 636     -27.021   2.552   9.830  1.00 97.70           O  
+ATOM   3479  CG  TRP B 636     -24.415  -0.845   8.381  1.00 97.70           C  
+ATOM   3480  CD1 TRP B 636     -23.160  -0.317   8.251  1.00 97.70           C  
+ATOM   3481  CD2 TRP B 636     -24.413  -2.072   7.646  1.00 97.70           C  
+ATOM   3482  CE2 TRP B 636     -23.121  -2.227   7.095  1.00 97.70           C  
+ATOM   3483  CE3 TRP B 636     -25.378  -3.057   7.400  1.00 97.70           C  
+ATOM   3484  NE1 TRP B 636     -22.377  -1.144   7.479  1.00 97.70           N  
+ATOM   3485  CH2 TRP B 636     -23.734  -4.279   6.087  1.00 97.70           C  
+ATOM   3486  CZ2 TRP B 636     -22.771  -3.330   6.312  1.00 97.70           C  
+ATOM   3487  CZ3 TRP B 636     -25.028  -4.154   6.620  1.00 97.70           C  
+ATOM   3488  N   ASP B 637     -28.483   0.961   9.325  1.00 96.38           N  
+ATOM   3489  CA  ASP B 637     -29.344   1.171  10.485  1.00 96.38           C  
+ATOM   3490  C   ASP B 637     -29.148   0.067  11.521  1.00 96.38           C  
+ATOM   3491  CB  ASP B 637     -30.812   1.238  10.059  1.00 96.38           C  
+ATOM   3492  O   ASP B 637     -29.578  -1.070  11.313  1.00 96.38           O  
+ATOM   3493  CG  ASP B 637     -31.741   1.639  11.191  1.00 96.38           C  
+ATOM   3494  OD1 ASP B 637     -31.446   1.322  12.363  1.00 96.38           O  
+ATOM   3495  OD2 ASP B 637     -32.779   2.276  10.908  1.00 96.38           O  
+ATOM   3496  N   SER B 638     -28.617   0.432  12.675  1.00 95.67           N  
+ATOM   3497  CA  SER B 638     -28.172  -0.555  13.654  1.00 95.67           C  
+ATOM   3498  C   SER B 638     -29.356  -1.189  14.376  1.00 95.67           C  
+ATOM   3499  CB  SER B 638     -27.229   0.087  14.672  1.00 95.67           C  
+ATOM   3500  O   SER B 638     -29.239  -2.285  14.928  1.00 95.67           O  
+ATOM   3501  OG  SER B 638     -27.891   1.109  15.398  1.00 95.67           O  
+ATOM   3502  N   TYR B 639     -30.546  -0.630  14.356  1.00 93.66           N  
+ATOM   3503  CA  TYR B 639     -31.726  -1.157  15.032  1.00 93.66           C  
+ATOM   3504  C   TYR B 639     -32.442  -2.183  14.161  1.00 93.66           C  
+ATOM   3505  CB  TYR B 639     -32.687  -0.022  15.399  1.00 93.66           C  
+ATOM   3506  O   TYR B 639     -32.809  -3.261  14.635  1.00 93.66           O  
+ATOM   3507  CG  TYR B 639     -32.207   0.832  16.548  1.00 93.66           C  
+ATOM   3508  CD1 TYR B 639     -32.385   0.422  17.867  1.00 93.66           C  
+ATOM   3509  CD2 TYR B 639     -31.576   2.049  16.316  1.00 93.66           C  
+ATOM   3510  CE1 TYR B 639     -31.946   1.207  18.929  1.00 93.66           C  
+ATOM   3511  CE2 TYR B 639     -31.134   2.842  17.370  1.00 93.66           C  
+ATOM   3512  OH  TYR B 639     -30.886   3.194  19.718  1.00 93.66           O  
+ATOM   3513  CZ  TYR B 639     -31.323   2.413  18.671  1.00 93.66           C  
+ATOM   3514  N   THR B 640     -32.510  -1.833  12.856  1.00 94.67           N  
+ATOM   3515  CA  THR B 640     -33.274  -2.687  11.953  1.00 94.67           C  
+ATOM   3516  C   THR B 640     -32.348  -3.615  11.172  1.00 94.67           C  
+ATOM   3517  CB  THR B 640     -34.114  -1.850  10.970  1.00 94.67           C  
+ATOM   3518  O   THR B 640     -32.806  -4.564  10.532  1.00 94.67           O  
+ATOM   3519  CG2 THR B 640     -35.034  -0.888  11.714  1.00 94.67           C  
+ATOM   3520  OG1 THR B 640     -33.238  -1.097  10.122  1.00 94.67           O  
+ATOM   3521  N   THR B 641     -31.069  -3.310  11.098  1.00 95.27           N  
+ATOM   3522  CA  THR B 641     -30.038  -4.022  10.352  1.00 95.27           C  
+ATOM   3523  C   THR B 641     -30.187  -3.774   8.853  1.00 95.27           C  
+ATOM   3524  CB  THR B 641     -30.089  -5.535  10.632  1.00 95.27           C  
+ATOM   3525  O   THR B 641     -29.605  -4.495   8.039  1.00 95.27           O  
+ATOM   3526  CG2 THR B 641     -30.038  -5.819  12.130  1.00 95.27           C  
+ATOM   3527  OG1 THR B 641     -31.305  -6.073  10.097  1.00 95.27           O  
+ATOM   3528  N   ASN B 642     -30.984  -2.743   8.567  1.00 96.01           N  
+ATOM   3529  CA  ASN B 642     -31.174  -2.379   7.167  1.00 96.01           C  
+ATOM   3530  C   ASN B 642     -29.963  -1.636   6.611  1.00 96.01           C  
+ATOM   3531  CB  ASN B 642     -32.439  -1.534   6.999  1.00 96.01           C  
+ATOM   3532  O   ASN B 642     -29.340  -0.841   7.316  1.00 96.01           O  
+ATOM   3533  CG  ASN B 642     -33.709  -2.339   7.192  1.00 96.01           C  
+ATOM   3534  ND2 ASN B 642     -34.810  -1.652   7.470  1.00 96.01           N  
+ATOM   3535  OD1 ASN B 642     -33.700  -3.569   7.093  1.00 96.01           O  
+ATOM   3536  N   LYS B 643     -29.657  -1.967   5.366  1.00 95.35           N  
+ATOM   3537  CA  LYS B 643     -28.673  -1.176   4.632  1.00 95.35           C  
+ATOM   3538  C   LYS B 643     -29.317   0.058   4.006  1.00 95.35           C  
+ATOM   3539  CB  LYS B 643     -28.003  -2.023   3.550  1.00 95.35           C  
+ATOM   3540  O   LYS B 643     -30.217  -0.061   3.172  1.00 95.35           O  
+ATOM   3541  CG  LYS B 643     -27.287  -3.256   4.083  1.00 95.35           C  
+ATOM   3542  CD  LYS B 643     -26.878  -4.196   2.957  1.00 95.35           C  
+ATOM   3543  CE  LYS B 643     -26.513  -5.577   3.484  1.00 95.35           C  
+ATOM   3544  NZ  LYS B 643     -27.703  -6.290   4.037  1.00 95.35           N  
+ATOM   3545  N   VAL B 644     -28.761   1.247   4.505  1.00 94.27           N  
+ATOM   3546  CA  VAL B 644     -29.334   2.499   4.020  1.00 94.27           C  
+ATOM   3547  C   VAL B 644     -28.691   2.880   2.689  1.00 94.27           C  
+ATOM   3548  CB  VAL B 644     -29.155   3.640   5.046  1.00 94.27           C  
+ATOM   3549  O   VAL B 644     -29.383   3.276   1.749  1.00 94.27           O  
+ATOM   3550  CG1 VAL B 644     -29.735   4.946   4.507  1.00 94.27           C  
+ATOM   3551  CG2 VAL B 644     -29.809   3.270   6.376  1.00 94.27           C  
+ATOM   3552  N   HIS B 645     -27.384   2.727   2.601  1.00 94.24           N  
+ATOM   3553  CA  HIS B 645     -26.593   2.956   1.396  1.00 94.24           C  
+ATOM   3554  C   HIS B 645     -25.504   1.900   1.243  1.00 94.24           C  
+ATOM   3555  CB  HIS B 645     -25.970   4.353   1.423  1.00 94.24           C  
+ATOM   3556  O   HIS B 645     -24.980   1.393   2.237  1.00 94.24           O  
+ATOM   3557  CG  HIS B 645     -26.977   5.459   1.450  1.00 94.24           C  
+ATOM   3558  CD2 HIS B 645     -27.422   6.231   2.469  1.00 94.24           C  
+ATOM   3559  ND1 HIS B 645     -27.655   5.876   0.325  1.00 94.24           N  
+ATOM   3560  CE1 HIS B 645     -28.475   6.861   0.652  1.00 94.24           C  
+ATOM   3561  NE2 HIS B 645     -28.353   7.095   1.947  1.00 94.24           N  
+ATOM   3562  N   ALA B 646     -25.271   1.580   0.000  1.00 94.71           N  
+ATOM   3563  CA  ALA B 646     -24.066   0.849  -0.384  1.00 94.71           C  
+ATOM   3564  C   ALA B 646     -23.304   1.586  -1.482  1.00 94.71           C  
+ATOM   3565  CB  ALA B 646     -24.424  -0.562  -0.845  1.00 94.71           C  
+ATOM   3566  O   ALA B 646     -23.698   1.552  -2.650  1.00 94.71           O  
+ATOM   3567  N   ILE B 647     -22.190   2.185  -1.032  1.00 95.20           N  
+ATOM   3568  CA  ILE B 647     -21.466   3.098  -1.909  1.00 95.20           C  
+ATOM   3569  C   ILE B 647     -20.215   2.410  -2.451  1.00 95.20           C  
+ATOM   3570  CB  ILE B 647     -21.083   4.403  -1.175  1.00 95.20           C  
+ATOM   3571  O   ILE B 647     -19.301   2.081  -1.691  1.00 95.20           O  
+ATOM   3572  CG1 ILE B 647     -22.330   5.064  -0.576  1.00 95.20           C  
+ATOM   3573  CG2 ILE B 647     -20.357   5.363  -2.122  1.00 95.20           C  
+ATOM   3574  CD1 ILE B 647     -22.025   6.174   0.419  1.00 95.20           C  
+ATOM   3575  N   PRO B 648     -20.206   2.214  -3.789  1.00 92.99           N  
+ATOM   3576  CA  PRO B 648     -18.983   1.652  -4.367  1.00 92.99           C  
+ATOM   3577  C   PRO B 648     -17.815   2.635  -4.346  1.00 92.99           C  
+ATOM   3578  CB  PRO B 648     -19.392   1.320  -5.804  1.00 92.99           C  
+ATOM   3579  O   PRO B 648     -17.994   3.818  -4.645  1.00 92.99           O  
+ATOM   3580  CG  PRO B 648     -20.548   2.224  -6.091  1.00 92.99           C  
+ATOM   3581  CD  PRO B 648     -21.249   2.526  -4.798  1.00 92.99           C  
+ATOM   3582  N   LEU B 649     -16.681   2.096  -3.956  1.00 91.99           N  
+ATOM   3583  CA  LEU B 649     -15.485   2.928  -3.878  1.00 91.99           C  
+ATOM   3584  C   LEU B 649     -14.633   2.774  -5.133  1.00 91.99           C  
+ATOM   3585  CB  LEU B 649     -14.660   2.567  -2.639  1.00 91.99           C  
+ATOM   3586  O   LEU B 649     -14.710   1.752  -5.819  1.00 91.99           O  
+ATOM   3587  CG  LEU B 649     -15.381   2.662  -1.294  1.00 91.99           C  
+ATOM   3588  CD1 LEU B 649     -14.494   2.119  -0.178  1.00 91.99           C  
+ATOM   3589  CD2 LEU B 649     -15.789   4.103  -1.006  1.00 91.99           C  
+ATOM   3590  N   ARG B 650     -13.868   3.703  -5.445  1.00 80.54           N  
+ATOM   3591  CA  ARG B 650     -12.922   3.665  -6.555  1.00 80.54           C  
+ATOM   3592  C   ARG B 650     -11.823   2.639  -6.303  1.00 80.54           C  
+ATOM   3593  CB  ARG B 650     -12.306   5.047  -6.784  1.00 80.54           C  
+ATOM   3594  O   ARG B 650     -11.379   1.956  -7.229  1.00 80.54           O  
+ATOM   3595  CG  ARG B 650     -11.454   5.142  -8.039  1.00 80.54           C  
+ATOM   3596  CD  ARG B 650     -10.821   6.518  -8.189  1.00 80.54           C  
+ATOM   3597  NE  ARG B 650     -11.662   7.416  -8.974  1.00 80.54           N  
+ATOM   3598  NH1 ARG B 650     -10.093   9.107  -9.105  1.00 80.54           N  
+ATOM   3599  NH2 ARG B 650     -12.142   9.359 -10.101  1.00 80.54           N  
+ATOM   3600  CZ  ARG B 650     -11.297   8.625  -9.392  1.00 80.54           C  
+ATOM   3601  N   SER B 651     -11.389   2.695  -5.063  1.00 84.34           N  
+ATOM   3602  CA  SER B 651     -10.363   1.751  -4.632  1.00 84.34           C  
+ATOM   3603  C   SER B 651     -10.877   0.848  -3.515  1.00 84.34           C  
+ATOM   3604  CB  SER B 651      -9.113   2.496  -4.162  1.00 84.34           C  
+ATOM   3605  O   SER B 651     -11.560   1.312  -2.600  1.00 84.34           O  
+ATOM   3606  OG  SER B 651      -8.182   1.599  -3.581  1.00 84.34           O  
+ATOM   3607  N   SER B 652     -10.604  -0.457  -3.637  1.00 85.90           N  
+ATOM   3608  CA  SER B 652     -11.021  -1.417  -2.621  1.00 85.90           C  
+ATOM   3609  C   SER B 652     -10.093  -1.381  -1.411  1.00 85.90           C  
+ATOM   3610  CB  SER B 652     -11.057  -2.831  -3.203  1.00 85.90           C  
+ATOM   3611  O   SER B 652     -10.388  -1.983  -0.378  1.00 85.90           O  
+ATOM   3612  OG  SER B 652      -9.786  -3.200  -3.709  1.00 85.90           O  
+ATOM   3613  N   TRP B 653      -9.028  -0.625  -1.526  1.00 87.68           N  
+ATOM   3614  CA  TRP B 653      -8.037  -0.600  -0.456  1.00 87.68           C  
+ATOM   3615  C   TRP B 653      -8.326   0.530   0.527  1.00 87.68           C  
+ATOM   3616  CB  TRP B 653      -6.627  -0.444  -1.031  1.00 87.68           C  
+ATOM   3617  O   TRP B 653      -7.530   1.461   0.664  1.00 87.68           O  
+ATOM   3618  CG  TRP B 653      -6.250  -1.509  -2.017  1.00 87.68           C  
+ATOM   3619  CD1 TRP B 653      -6.082  -1.361  -3.366  1.00 87.68           C  
+ATOM   3620  CD2 TRP B 653      -6.000  -2.888  -1.731  1.00 87.68           C  
+ATOM   3621  CE2 TRP B 653      -5.684  -3.519  -2.954  1.00 87.68           C  
+ATOM   3622  CE3 TRP B 653      -6.011  -3.653  -0.556  1.00 87.68           C  
+ATOM   3623  NE1 TRP B 653      -5.742  -2.566  -3.935  1.00 87.68           N  
+ATOM   3624  CH2 TRP B 653      -5.400  -5.605  -1.874  1.00 87.68           C  
+ATOM   3625  CZ2 TRP B 653      -5.382  -4.880  -3.037  1.00 87.68           C  
+ATOM   3626  CZ3 TRP B 653      -5.710  -5.007  -0.641  1.00 87.68           C  
+ATOM   3627  N   VAL B 654      -9.386   0.420   1.216  1.00 95.19           N  
+ATOM   3628  CA  VAL B 654      -9.859   1.404   2.183  1.00 95.19           C  
+ATOM   3629  C   VAL B 654      -9.324   1.063   3.572  1.00 95.19           C  
+ATOM   3630  CB  VAL B 654     -11.402   1.477   2.210  1.00 95.19           C  
+ATOM   3631  O   VAL B 654      -9.175  -0.112   3.916  1.00 95.19           O  
+ATOM   3632  CG1 VAL B 654     -11.997   0.159   2.704  1.00 95.19           C  
+ATOM   3633  CG2 VAL B 654     -11.866   2.637   3.088  1.00 95.19           C  
+ATOM   3634  N   MET B 655      -9.018   2.152   4.380  1.00 95.89           N  
+ATOM   3635  CA  MET B 655      -8.455   1.896   5.702  1.00 95.89           C  
+ATOM   3636  C   MET B 655      -9.233   2.645   6.779  1.00 95.89           C  
+ATOM   3637  CB  MET B 655      -6.980   2.300   5.747  1.00 95.89           C  
+ATOM   3638  O   MET B 655      -9.126   2.325   7.964  1.00 95.89           O  
+ATOM   3639  CG  MET B 655      -6.068   1.380   4.952  1.00 95.89           C  
+ATOM   3640  SD  MET B 655      -4.294   1.809   5.145  1.00 95.89           S  
+ATOM   3641  CE  MET B 655      -4.033   1.320   6.873  1.00 95.89           C  
+ATOM   3642  N   THR B 656      -9.988   3.633   6.368  1.00 98.01           N  
+ATOM   3643  CA  THR B 656     -10.697   4.459   7.339  1.00 98.01           C  
+ATOM   3644  C   THR B 656     -11.980   5.023   6.735  1.00 98.01           C  
+ATOM   3645  CB  THR B 656      -9.812   5.615   7.841  1.00 98.01           C  
+ATOM   3646  O   THR B 656     -12.101   5.134   5.513  1.00 98.01           O  
+ATOM   3647  CG2 THR B 656      -9.552   6.630   6.733  1.00 98.01           C  
+ATOM   3648  OG1 THR B 656     -10.468   6.272   8.933  1.00 98.01           O  
+ATOM   3649  N   CYS B 657     -12.919   5.320   7.575  1.00 98.31           N  
+ATOM   3650  CA  CYS B 657     -14.137   6.038   7.217  1.00 98.31           C  
+ATOM   3651  C   CYS B 657     -14.613   6.914   8.370  1.00 98.31           C  
+ATOM   3652  CB  CYS B 657     -15.240   5.058   6.820  1.00 98.31           C  
+ATOM   3653  O   CYS B 657     -14.207   6.713   9.516  1.00 98.31           O  
+ATOM   3654  SG  CYS B 657     -15.785   3.989   8.170  1.00 98.31           S  
+ATOM   3655  N   ALA B 658     -15.391   7.966   8.043  1.00 98.36           N  
+ATOM   3656  CA  ALA B 658     -15.915   8.873   9.061  1.00 98.36           C  
+ATOM   3657  C   ALA B 658     -17.274   9.432   8.651  1.00 98.36           C  
+ATOM   3658  CB  ALA B 658     -14.930  10.012   9.316  1.00 98.36           C  
+ATOM   3659  O   ALA B 658     -17.530   9.650   7.465  1.00 98.36           O  
+ATOM   3660  N   TYR B 659     -18.073   9.596   9.640  1.00 97.83           N  
+ATOM   3661  CA  TYR B 659     -19.407  10.165   9.481  1.00 97.83           C  
+ATOM   3662  C   TYR B 659     -19.432  11.625   9.917  1.00 97.83           C  
+ATOM   3663  CB  TYR B 659     -20.433   9.362  10.287  1.00 97.83           C  
+ATOM   3664  O   TYR B 659     -19.041  11.952  11.039  1.00 97.83           O  
+ATOM   3665  CG  TYR B 659     -21.750   9.174   9.575  1.00 97.83           C  
+ATOM   3666  CD1 TYR B 659     -22.561  10.265   9.270  1.00 97.83           C  
+ATOM   3667  CD2 TYR B 659     -22.188   7.906   9.207  1.00 97.83           C  
+ATOM   3668  CE1 TYR B 659     -23.777  10.097   8.616  1.00 97.83           C  
+ATOM   3669  CE2 TYR B 659     -23.402   7.726   8.553  1.00 97.83           C  
+ATOM   3670  OH  TYR B 659     -25.391   8.653   7.614  1.00 97.83           O  
+ATOM   3671  CZ  TYR B 659     -24.188   8.826   8.262  1.00 97.83           C  
+ATOM   3672  N   ALA B 660     -19.893  12.487   9.058  1.00 97.58           N  
+ATOM   3673  CA  ALA B 660     -19.961  13.905   9.401  1.00 97.58           C  
+ATOM   3674  C   ALA B 660     -21.030  14.163  10.459  1.00 97.58           C  
+ATOM   3675  CB  ALA B 660     -20.239  14.741   8.153  1.00 97.58           C  
+ATOM   3676  O   ALA B 660     -22.043  13.462  10.510  1.00 97.58           O  
+ATOM   3677  N   PRO B 661     -20.884  15.224  11.264  1.00 96.72           N  
+ATOM   3678  CA  PRO B 661     -21.813  15.528  12.354  1.00 96.72           C  
+ATOM   3679  C   PRO B 661     -23.228  15.821  11.860  1.00 96.72           C  
+ATOM   3680  CB  PRO B 661     -21.196  16.768  13.007  1.00 96.72           C  
+ATOM   3681  O   PRO B 661     -24.204  15.491  12.539  1.00 96.72           O  
+ATOM   3682  CG  PRO B 661     -19.732  16.658  12.726  1.00 96.72           C  
+ATOM   3683  CD  PRO B 661     -19.552  16.032  11.373  1.00 96.72           C  
+ATOM   3684  N   SER B 662     -23.339  16.358  10.708  1.00 95.88           N  
+ATOM   3685  CA  SER B 662     -24.646  16.678  10.145  1.00 95.88           C  
+ATOM   3686  C   SER B 662     -25.408  15.413   9.762  1.00 95.88           C  
+ATOM   3687  CB  SER B 662     -24.497  17.583   8.921  1.00 95.88           C  
+ATOM   3688  O   SER B 662     -26.635  15.431   9.653  1.00 95.88           O  
+ATOM   3689  OG  SER B 662     -23.853  16.895   7.863  1.00 95.88           O  
+ATOM   3690  N   GLY B 663     -24.647  14.369   9.521  1.00 94.95           N  
+ATOM   3691  CA  GLY B 663     -25.235  13.136   9.021  1.00 94.95           C  
+ATOM   3692  C   GLY B 663     -25.394  13.119   7.513  1.00 94.95           C  
+ATOM   3693  O   GLY B 663     -25.907  12.151   6.948  1.00 94.95           O  
+ATOM   3694  N   ASN B 664     -24.836  14.071   6.868  1.00 94.75           N  
+ATOM   3695  CA  ASN B 664     -25.063  14.238   5.437  1.00 94.75           C  
+ATOM   3696  C   ASN B 664     -23.866  13.763   4.620  1.00 94.75           C  
+ATOM   3697  CB  ASN B 664     -25.382  15.699   5.111  1.00 94.75           C  
+ATOM   3698  O   ASN B 664     -23.974  13.567   3.408  1.00 94.75           O  
+ATOM   3699  CG  ASN B 664     -26.719  16.144   5.670  1.00 94.75           C  
+ATOM   3700  ND2 ASN B 664     -26.847  17.437   5.944  1.00 94.75           N  
+ATOM   3701  OD1 ASN B 664     -27.630  15.332   5.854  1.00 94.75           O  
+ATOM   3702  N   TYR B 665     -22.738  13.624   5.284  1.00 97.13           N  
+ATOM   3703  CA  TYR B 665     -21.525  13.248   4.566  1.00 97.13           C  
+ATOM   3704  C   TYR B 665     -20.839  12.064   5.237  1.00 97.13           C  
+ATOM   3705  CB  TYR B 665     -20.558  14.434   4.486  1.00 97.13           C  
+ATOM   3706  O   TYR B 665     -20.925  11.898   6.456  1.00 97.13           O  
+ATOM   3707  CG  TYR B 665     -21.142  15.647   3.804  1.00 97.13           C  
+ATOM   3708  CD1 TYR B 665     -21.196  15.731   2.415  1.00 97.13           C  
+ATOM   3709  CD2 TYR B 665     -21.640  16.713   4.547  1.00 97.13           C  
+ATOM   3710  CE1 TYR B 665     -21.731  16.848   1.782  1.00 97.13           C  
+ATOM   3711  CE2 TYR B 665     -22.177  17.835   3.925  1.00 97.13           C  
+ATOM   3712  OH  TYR B 665     -22.749  19.001   1.922  1.00 97.13           O  
+ATOM   3713  CZ  TYR B 665     -22.218  17.893   2.544  1.00 97.13           C  
+ATOM   3714  N   VAL B 666     -20.226  11.298   4.397  1.00 98.20           N  
+ATOM   3715  CA  VAL B 666     -19.274  10.302   4.877  1.00 98.20           C  
+ATOM   3716  C   VAL B 666     -17.962  10.427   4.106  1.00 98.20           C  
+ATOM   3717  CB  VAL B 666     -19.836   8.869   4.745  1.00 98.20           C  
+ATOM   3718  O   VAL B 666     -17.945  10.910   2.971  1.00 98.20           O  
+ATOM   3719  CG1 VAL B 666     -21.036   8.672   5.669  1.00 98.20           C  
+ATOM   3720  CG2 VAL B 666     -20.222   8.580   3.295  1.00 98.20           C  
+ATOM   3721  N   ALA B 667     -16.930  10.105   4.797  1.00 98.25           N  
+ATOM   3722  CA  ALA B 667     -15.605  10.161   4.185  1.00 98.25           C  
+ATOM   3723  C   ALA B 667     -14.883   8.823   4.318  1.00 98.25           C  
+ATOM   3724  CB  ALA B 667     -14.773  11.275   4.817  1.00 98.25           C  
+ATOM   3725  O   ALA B 667     -15.179   8.037   5.221  1.00 98.25           O  
+ATOM   3726  N   CYS B 668     -13.995   8.581   3.335  1.00 98.09           N  
+ATOM   3727  CA  CYS B 668     -13.131   7.409   3.414  1.00 98.09           C  
+ATOM   3728  C   CYS B 668     -11.746   7.715   2.856  1.00 98.09           C  
+ATOM   3729  CB  CYS B 668     -13.749   6.235   2.654  1.00 98.09           C  
+ATOM   3730  O   CYS B 668     -11.565   8.697   2.134  1.00 98.09           O  
+ATOM   3731  SG  CYS B 668     -13.771   6.458   0.862  1.00 98.09           S  
+ATOM   3732  N   GLY B 669     -10.791   6.975   3.305  1.00 97.10           N  
+ATOM   3733  CA  GLY B 669      -9.412   7.038   2.846  1.00 97.10           C  
+ATOM   3734  C   GLY B 669      -8.687   5.709   2.953  1.00 97.10           C  
+ATOM   3735  O   GLY B 669      -9.124   4.814   3.679  1.00 97.10           O  
+ATOM   3736  N   GLY B 670      -7.628   5.591   2.130  1.00 95.42           N  
+ATOM   3737  CA  GLY B 670      -6.908   4.328   2.158  1.00 95.42           C  
+ATOM   3738  C   GLY B 670      -5.591   4.375   1.408  1.00 95.42           C  
+ATOM   3739  O   GLY B 670      -4.845   5.352   1.512  1.00 95.42           O  
+ATOM   3740  N   LEU B 671      -5.237   3.307   0.669  1.00 91.06           N  
+ATOM   3741  CA  LEU B 671      -3.915   3.117   0.083  1.00 91.06           C  
+ATOM   3742  C   LEU B 671      -3.759   3.945  -1.187  1.00 91.06           C  
+ATOM   3743  CB  LEU B 671      -3.673   1.637  -0.226  1.00 91.06           C  
+ATOM   3744  O   LEU B 671      -2.671   4.007  -1.764  1.00 91.06           O  
+ATOM   3745  CG  LEU B 671      -3.467   0.717   0.979  1.00 91.06           C  
+ATOM   3746  CD1 LEU B 671      -3.288  -0.726   0.520  1.00 91.06           C  
+ATOM   3747  CD2 LEU B 671      -2.268   1.175   1.802  1.00 91.06           C  
+ATOM   3748  N   ASP B 672      -4.792   4.633  -1.542  1.00 88.20           N  
+ATOM   3749  CA  ASP B 672      -4.698   5.462  -2.740  1.00 88.20           C  
+ATOM   3750  C   ASP B 672      -4.321   6.899  -2.386  1.00 88.20           C  
+ATOM   3751  CB  ASP B 672      -6.018   5.440  -3.514  1.00 88.20           C  
+ATOM   3752  O   ASP B 672      -4.381   7.789  -3.236  1.00 88.20           O  
+ATOM   3753  CG  ASP B 672      -7.197   5.924  -2.688  1.00 88.20           C  
+ATOM   3754  OD1 ASP B 672      -7.013   6.254  -1.497  1.00 88.20           O  
+ATOM   3755  OD2 ASP B 672      -8.321   5.973  -3.233  1.00 88.20           O  
+ATOM   3756  N   ASN B 673      -4.089   7.161  -1.167  1.00 92.35           N  
+ATOM   3757  CA  ASN B 673      -3.571   8.416  -0.631  1.00 92.35           C  
+ATOM   3758  C   ASN B 673      -4.593   9.542  -0.754  1.00 92.35           C  
+ATOM   3759  CB  ASN B 673      -2.267   8.802  -1.332  1.00 92.35           C  
+ATOM   3760  O   ASN B 673      -4.251  10.716  -0.599  1.00 92.35           O  
+ATOM   3761  CG  ASN B 673      -1.215   7.714  -1.250  1.00 92.35           C  
+ATOM   3762  ND2 ASN B 673      -0.186   7.820  -2.082  1.00 92.35           N  
+ATOM   3763  OD1 ASN B 673      -1.326   6.785  -0.445  1.00 92.35           O  
+ATOM   3764  N   ILE B 674      -5.790   9.238  -1.065  1.00 94.21           N  
+ATOM   3765  CA  ILE B 674      -6.820  10.248  -1.285  1.00 94.21           C  
+ATOM   3766  C   ILE B 674      -7.930  10.087  -0.249  1.00 94.21           C  
+ATOM   3767  CB  ILE B 674      -7.402  10.159  -2.714  1.00 94.21           C  
+ATOM   3768  O   ILE B 674      -8.356   8.967   0.045  1.00 94.21           O  
+ATOM   3769  CG1 ILE B 674      -6.301  10.395  -3.754  1.00 94.21           C  
+ATOM   3770  CG2 ILE B 674      -8.548  11.160  -2.893  1.00 94.21           C  
+ATOM   3771  CD1 ILE B 674      -6.747  10.158  -5.191  1.00 94.21           C  
+ATOM   3772  N   CYS B 675      -8.346  11.234   0.334  1.00 97.49           N  
+ATOM   3773  CA  CYS B 675      -9.569  11.254   1.128  1.00 97.49           C  
+ATOM   3774  C   CYS B 675     -10.768  11.648   0.274  1.00 97.49           C  
+ATOM   3775  CB  CYS B 675      -9.429  12.221   2.303  1.00 97.49           C  
+ATOM   3776  O   CYS B 675     -10.808  12.750  -0.276  1.00 97.49           O  
+ATOM   3777  SG  CYS B 675     -10.873  12.262   3.388  1.00 97.49           S  
+ATOM   3778  N   SER B 676     -11.756  10.777   0.211  1.00 97.46           N  
+ATOM   3779  CA  SER B 676     -12.952  10.999  -0.596  1.00 97.46           C  
+ATOM   3780  C   SER B 676     -14.165  11.287   0.282  1.00 97.46           C  
+ATOM   3781  CB  SER B 676     -13.231   9.787  -1.485  1.00 97.46           C  
+ATOM   3782  O   SER B 676     -14.414  10.578   1.259  1.00 97.46           O  
+ATOM   3783  OG  SER B 676     -12.144   9.546  -2.362  1.00 97.46           O  
+ATOM   3784  N   ILE B 677     -14.907  12.315  -0.110  1.00 97.59           N  
+ATOM   3785  CA  ILE B 677     -16.102  12.722   0.620  1.00 97.59           C  
+ATOM   3786  C   ILE B 677     -17.344  12.432  -0.220  1.00 97.59           C  
+ATOM   3787  CB  ILE B 677     -16.050  14.219   1.000  1.00 97.59           C  
+ATOM   3788  O   ILE B 677     -17.394  12.773  -1.404  1.00 97.59           O  
+ATOM   3789  CG1 ILE B 677     -14.722  14.548   1.692  1.00 97.59           C  
+ATOM   3790  CG2 ILE B 677     -17.239  14.592   1.891  1.00 97.59           C  
+ATOM   3791  CD1 ILE B 677     -14.562  13.906   3.063  1.00 97.59           C  
+ATOM   3792  N   TYR B 678     -18.313  11.801   0.451  1.00 96.54           N  
+ATOM   3793  CA  TYR B 678     -19.557  11.440  -0.220  1.00 96.54           C  
+ATOM   3794  C   TYR B 678     -20.745  12.157   0.410  1.00 96.54           C  
+ATOM   3795  CB  TYR B 678     -19.775   9.925  -0.169  1.00 96.54           C  
+ATOM   3796  O   TYR B 678     -20.850  12.238   1.636  1.00 96.54           O  
+ATOM   3797  CG  TYR B 678     -18.693   9.132  -0.862  1.00 96.54           C  
+ATOM   3798  CD1 TYR B 678     -18.842   8.723  -2.185  1.00 96.54           C  
+ATOM   3799  CD2 TYR B 678     -17.522   8.790  -0.195  1.00 96.54           C  
+ATOM   3800  CE1 TYR B 678     -17.849   7.990  -2.827  1.00 96.54           C  
+ATOM   3801  CE2 TYR B 678     -16.522   8.058  -0.828  1.00 96.54           C  
+ATOM   3802  OH  TYR B 678     -15.708   6.939  -2.772  1.00 96.54           O  
+ATOM   3803  CZ  TYR B 678     -16.694   7.664  -2.142  1.00 96.54           C  
+ATOM   3804  N   ASN B 679     -21.590  12.630  -0.475  1.00 94.45           N  
+ATOM   3805  CA  ASN B 679     -22.831  13.263  -0.042  1.00 94.45           C  
+ATOM   3806  C   ASN B 679     -23.986  12.267  -0.009  1.00 94.45           C  
+ATOM   3807  CB  ASN B 679     -23.175  14.447  -0.948  1.00 94.45           C  
+ATOM   3808  O   ASN B 679     -24.374  11.726  -1.046  1.00 94.45           O  
+ATOM   3809  CG  ASN B 679     -24.339  15.265  -0.424  1.00 94.45           C  
+ATOM   3810  ND2 ASN B 679     -24.456  16.500  -0.897  1.00 94.45           N  
+ATOM   3811  OD1 ASN B 679     -25.126  14.790   0.399  1.00 94.45           O  
+ATOM   3812  N   LEU B 680     -24.535  12.115   1.215  1.00 93.05           N  
+ATOM   3813  CA  LEU B 680     -25.568  11.098   1.387  1.00 93.05           C  
+ATOM   3814  C   LEU B 680     -26.937  11.643   0.995  1.00 93.05           C  
+ATOM   3815  CB  LEU B 680     -25.597  10.604   2.836  1.00 93.05           C  
+ATOM   3816  O   LEU B 680     -27.890  10.878   0.831  1.00 93.05           O  
+ATOM   3817  CG  LEU B 680     -24.334   9.903   3.339  1.00 93.05           C  
+ATOM   3818  CD1 LEU B 680     -24.478   9.546   4.814  1.00 93.05           C  
+ATOM   3819  CD2 LEU B 680     -24.046   8.658   2.507  1.00 93.05           C  
+ATOM   3820  N   LYS B 681     -27.057  12.957   0.809  1.00 86.73           N  
+ATOM   3821  CA  LYS B 681     -28.324  13.541   0.376  1.00 86.73           C  
+ATOM   3822  C   LYS B 681     -28.485  13.444  -1.138  1.00 86.73           C  
+ATOM   3823  CB  LYS B 681     -28.423  15.000   0.822  1.00 86.73           C  
+ATOM   3824  O   LYS B 681     -27.806  14.151  -1.886  1.00 86.73           O  
+ATOM   3825  CG  LYS B 681     -28.650  15.177   2.316  1.00 86.73           C  
+ATOM   3826  CD  LYS B 681     -28.939  16.631   2.669  1.00 86.73           C  
+ATOM   3827  CE  LYS B 681     -29.212  16.802   4.158  1.00 86.73           C  
+ATOM   3828  NZ  LYS B 681     -29.490  18.226   4.510  1.00 86.73           N  
+ATOM   3829  N   THR B 682     -29.003  12.376  -1.624  1.00 75.12           N  
+ATOM   3830  CA  THR B 682     -29.206  12.288  -3.066  1.00 75.12           C  
+ATOM   3831  C   THR B 682     -30.680  12.067  -3.392  1.00 75.12           C  
+ATOM   3832  CB  THR B 682     -28.365  11.153  -3.681  1.00 75.12           C  
+ATOM   3833  O   THR B 682     -31.417  11.483  -2.594  1.00 75.12           O  
+ATOM   3834  CG2 THR B 682     -26.888  11.314  -3.336  1.00 75.12           C  
+ATOM   3835  OG1 THR B 682     -28.828   9.895  -3.174  1.00 75.12           O  
+ATOM   3836  N   ARG B 683     -31.160  12.772  -4.516  1.00 67.21           N  
+ATOM   3837  CA  ARG B 683     -32.535  12.649  -4.991  1.00 67.21           C  
+ATOM   3838  C   ARG B 683     -32.785  11.272  -5.595  1.00 67.21           C  
+ATOM   3839  CB  ARG B 683     -32.847  13.738  -6.020  1.00 67.21           C  
+ATOM   3840  O   ARG B 683     -33.833  10.666  -5.360  1.00 67.21           O  
+ATOM   3841  CG  ARG B 683     -33.082  15.111  -5.413  1.00 67.21           C  
+ATOM   3842  CD  ARG B 683     -33.554  16.115  -6.455  1.00 67.21           C  
+ATOM   3843  NE  ARG B 683     -33.747  17.442  -5.876  1.00 67.21           N  
+ATOM   3844  NH1 ARG B 683     -34.559  18.397  -7.817  1.00 67.21           N  
+ATOM   3845  NH2 ARG B 683     -34.356  19.656  -5.912  1.00 67.21           N  
+ATOM   3846  CZ  ARG B 683     -34.220  18.496  -6.536  1.00 67.21           C  
+ATOM   3847  N   GLU B 684     -31.658  10.615  -6.207  1.00 66.18           N  
+ATOM   3848  CA  GLU B 684     -31.781   9.432  -7.053  1.00 66.18           C  
+ATOM   3849  C   GLU B 684     -31.176   8.205  -6.377  1.00 66.18           C  
+ATOM   3850  CB  GLU B 684     -31.112   9.669  -8.410  1.00 66.18           C  
+ATOM   3851  O   GLU B 684     -31.184   7.110  -6.943  1.00 66.18           O  
+ATOM   3852  CG  GLU B 684     -31.846  10.669  -9.291  1.00 66.18           C  
+ATOM   3853  CD  GLU B 684     -31.248  10.794 -10.683  1.00 66.18           C  
+ATOM   3854  OE1 GLU B 684     -31.799  11.550 -11.515  1.00 66.18           O  
+ATOM   3855  OE2 GLU B 684     -30.221  10.129 -10.945  1.00 66.18           O  
+ATOM   3856  N   GLY B 685     -30.767   8.357  -4.993  1.00 68.86           N  
+ATOM   3857  CA  GLY B 685     -30.261   7.211  -4.255  1.00 68.86           C  
+ATOM   3858  C   GLY B 685     -28.830   6.856  -4.613  1.00 68.86           C  
+ATOM   3859  O   GLY B 685     -28.173   6.101  -3.892  1.00 68.86           O  
+ATOM   3860  N   ASN B 686     -28.298   7.373  -5.808  1.00 77.72           N  
+ATOM   3861  CA  ASN B 686     -26.910   7.078  -6.146  1.00 77.72           C  
+ATOM   3862  C   ASN B 686     -25.954   8.098  -5.534  1.00 77.72           C  
+ATOM   3863  CB  ASN B 686     -26.727   7.024  -7.665  1.00 77.72           C  
+ATOM   3864  O   ASN B 686     -26.033   9.290  -5.838  1.00 77.72           O  
+ATOM   3865  CG  ASN B 686     -27.404   5.822  -8.292  1.00 77.72           C  
+ATOM   3866  ND2 ASN B 686     -27.736   5.930  -9.573  1.00 77.72           N  
+ATOM   3867  OD1 ASN B 686     -27.628   4.805  -7.630  1.00 77.72           O  
+ATOM   3868  N   VAL B 687     -25.207   7.622  -4.562  1.00 86.12           N  
+ATOM   3869  CA  VAL B 687     -24.256   8.476  -3.858  1.00 86.12           C  
+ATOM   3870  C   VAL B 687     -22.958   8.573  -4.657  1.00 86.12           C  
+ATOM   3871  CB  VAL B 687     -23.967   7.949  -2.434  1.00 86.12           C  
+ATOM   3872  O   VAL B 687     -22.333   7.555  -4.964  1.00 86.12           O  
+ATOM   3873  CG1 VAL B 687     -22.966   8.854  -1.717  1.00 86.12           C  
+ATOM   3874  CG2 VAL B 687     -25.263   7.840  -1.633  1.00 86.12           C  
+ATOM   3875  N   ARG B 688     -22.650   9.806  -5.094  1.00 85.70           N  
+ATOM   3876  CA  ARG B 688     -21.405  10.045  -5.816  1.00 85.70           C  
+ATOM   3877  C   ARG B 688     -20.433  10.865  -4.975  1.00 85.70           C  
+ATOM   3878  CB  ARG B 688     -21.680  10.757  -7.142  1.00 85.70           C  
+ATOM   3879  O   ARG B 688     -20.830  11.485  -3.986  1.00 85.70           O  
+ATOM   3880  CG  ARG B 688     -22.524   9.945  -8.113  1.00 85.70           C  
+ATOM   3881  CD  ARG B 688     -22.702  10.665  -9.443  1.00 85.70           C  
+ATOM   3882  NE  ARG B 688     -23.487   9.872 -10.384  1.00 85.70           N  
+ATOM   3883  NH1 ARG B 688     -23.328  11.391 -12.117  1.00 85.70           N  
+ATOM   3884  NH2 ARG B 688     -24.489   9.436 -12.404  1.00 85.70           N  
+ATOM   3885  CZ  ARG B 688     -23.766  10.235 -11.633  1.00 85.70           C  
+ATOM   3886  N   VAL B 689     -19.209  10.743  -5.458  1.00 89.38           N  
+ATOM   3887  CA  VAL B 689     -18.150  11.460  -4.754  1.00 89.38           C  
+ATOM   3888  C   VAL B 689     -18.398  12.964  -4.843  1.00 89.38           C  
+ATOM   3889  CB  VAL B 689     -16.756  11.115  -5.324  1.00 89.38           C  
+ATOM   3890  O   VAL B 689     -18.622  13.500  -5.931  1.00 89.38           O  
+ATOM   3891  CG1 VAL B 689     -16.623  11.609  -6.763  1.00 89.38           C  
+ATOM   3892  CG2 VAL B 689     -15.659  11.713  -4.446  1.00 89.38           C  
+ATOM   3893  N   SER B 690     -18.387  13.652  -3.681  1.00 90.56           N  
+ATOM   3894  CA  SER B 690     -18.565  15.099  -3.621  1.00 90.56           C  
+ATOM   3895  C   SER B 690     -17.230  15.826  -3.748  1.00 90.56           C  
+ATOM   3896  CB  SER B 690     -19.252  15.502  -2.316  1.00 90.56           C  
+ATOM   3897  O   SER B 690     -17.125  16.823  -4.465  1.00 90.56           O  
+ATOM   3898  OG  SER B 690     -19.417  16.908  -2.248  1.00 90.56           O  
+ATOM   3899  N   ARG B 691     -16.260  15.245  -3.104  1.00 94.75           N  
+ATOM   3900  CA  ARG B 691     -14.946  15.879  -3.102  1.00 94.75           C  
+ATOM   3901  C   ARG B 691     -13.841  14.847  -2.897  1.00 94.75           C  
+ATOM   3902  CB  ARG B 691     -14.868  16.953  -2.015  1.00 94.75           C  
+ATOM   3903  O   ARG B 691     -14.003  13.903  -2.122  1.00 94.75           O  
+ATOM   3904  CG  ARG B 691     -15.727  18.176  -2.296  1.00 94.75           C  
+ATOM   3905  CD  ARG B 691     -15.151  19.023  -3.423  1.00 94.75           C  
+ATOM   3906  NE  ARG B 691     -15.927  20.242  -3.631  1.00 94.75           N  
+ATOM   3907  NH1 ARG B 691     -15.658  20.267  -5.926  1.00 94.75           N  
+ATOM   3908  NH2 ARG B 691     -16.871  21.915  -4.891  1.00 94.75           N  
+ATOM   3909  CZ  ARG B 691     -16.150  20.805  -4.816  1.00 94.75           C  
+ATOM   3910  N   GLU B 692     -12.682  15.205  -3.575  1.00 95.14           N  
+ATOM   3911  CA  GLU B 692     -11.466  14.426  -3.362  1.00 95.14           C  
+ATOM   3912  C   GLU B 692     -10.331  15.306  -2.845  1.00 95.14           C  
+ATOM   3913  CB  GLU B 692     -11.041  13.726  -4.655  1.00 95.14           C  
+ATOM   3914  O   GLU B 692      -9.994  16.319  -3.460  1.00 95.14           O  
+ATOM   3915  CG  GLU B 692     -11.975  12.602  -5.081  1.00 95.14           C  
+ATOM   3916  CD  GLU B 692     -11.489  11.853  -6.312  1.00 95.14           C  
+ATOM   3917  OE1 GLU B 692     -12.032  10.766  -6.613  1.00 95.14           O  
+ATOM   3918  OE2 GLU B 692     -10.558  12.357  -6.979  1.00 95.14           O  
+ATOM   3919  N   LEU B 693      -9.872  14.861  -1.760  1.00 96.76           N  
+ATOM   3920  CA  LEU B 693      -8.775  15.604  -1.151  1.00 96.76           C  
+ATOM   3921  C   LEU B 693      -7.450  14.874  -1.346  1.00 96.76           C  
+ATOM   3922  CB  LEU B 693      -9.037  15.820   0.342  1.00 96.76           C  
+ATOM   3923  O   LEU B 693      -7.153  13.916  -0.629  1.00 96.76           O  
+ATOM   3924  CG  LEU B 693     -10.434  16.313   0.721  1.00 96.76           C  
+ATOM   3925  CD1 LEU B 693     -10.584  16.367   2.238  1.00 96.76           C  
+ATOM   3926  CD2 LEU B 693     -10.705  17.680   0.102  1.00 96.76           C  
+ATOM   3927  N   ALA B 694      -6.651  15.408  -2.338  1.00 93.46           N  
+ATOM   3928  CA  ALA B 694      -5.381  14.787  -2.707  1.00 93.46           C  
+ATOM   3929  C   ALA B 694      -4.200  15.626  -2.225  1.00 93.46           C  
+ATOM   3930  CB  ALA B 694      -5.306  14.585  -4.218  1.00 93.46           C  
+ATOM   3931  O   ALA B 694      -4.171  16.842  -2.428  1.00 93.46           O  
+ATOM   3932  N   GLY B 695      -3.394  15.161  -1.338  1.00 89.81           N  
+ATOM   3933  CA  GLY B 695      -2.240  15.905  -0.859  1.00 89.81           C  
+ATOM   3934  C   GLY B 695      -1.260  15.050  -0.079  1.00 89.81           C  
+ATOM   3935  O   GLY B 695      -0.057  15.319  -0.079  1.00 89.81           O  
+ATOM   3936  N   HIS B 696      -1.706  14.015   0.431  1.00 93.18           N  
+ATOM   3937  CA  HIS B 696      -0.813  13.114   1.150  1.00 93.18           C  
+ATOM   3938  C   HIS B 696       0.046  12.303   0.185  1.00 93.18           C  
+ATOM   3939  CB  HIS B 696      -1.612  12.176   2.056  1.00 93.18           C  
+ATOM   3940  O   HIS B 696      -0.376  12.016  -0.937  1.00 93.18           O  
+ATOM   3941  CG  HIS B 696      -1.994  12.787   3.366  1.00 93.18           C  
+ATOM   3942  CD2 HIS B 696      -3.208  13.043   3.908  1.00 93.18           C  
+ATOM   3943  ND1 HIS B 696      -1.062  13.218   4.286  1.00 93.18           N  
+ATOM   3944  CE1 HIS B 696      -1.689  13.712   5.340  1.00 93.18           C  
+ATOM   3945  NE2 HIS B 696      -2.992  13.618   5.136  1.00 93.18           N  
+ATOM   3946  N   THR B 697       1.313  11.974   0.578  1.00 90.21           N  
+ATOM   3947  CA  THR B 697       2.222  11.171  -0.233  1.00 90.21           C  
+ATOM   3948  C   THR B 697       2.273   9.733   0.276  1.00 90.21           C  
+ATOM   3949  CB  THR B 697       3.642  11.768  -0.237  1.00 90.21           C  
+ATOM   3950  O   THR B 697       3.138   8.955  -0.133  1.00 90.21           O  
+ATOM   3951  CG2 THR B 697       3.655  13.151  -0.879  1.00 90.21           C  
+ATOM   3952  OG1 THR B 697       4.112  11.875   1.113  1.00 90.21           O  
+ATOM   3953  N   GLY B 698       1.513   9.393   1.292  1.00 88.44           N  
+ATOM   3954  CA  GLY B 698       1.352   8.062   1.853  1.00 88.44           C  
+ATOM   3955  C   GLY B 698      -0.101   7.665   2.039  1.00 88.44           C  
+ATOM   3956  O   GLY B 698      -1.006   8.451   1.754  1.00 88.44           O  
+ATOM   3957  N   TYR B 699      -0.383   6.381   2.449  1.00 94.54           N  
+ATOM   3958  CA  TYR B 699      -1.751   5.907   2.627  1.00 94.54           C  
+ATOM   3959  C   TYR B 699      -2.436   6.636   3.776  1.00 94.54           C  
+ATOM   3960  CB  TYR B 699      -1.768   4.397   2.882  1.00 94.54           C  
+ATOM   3961  O   TYR B 699      -1.769   7.158   4.673  1.00 94.54           O  
+ATOM   3962  CG  TYR B 699      -0.938   3.972   4.069  1.00 94.54           C  
+ATOM   3963  CD1 TYR B 699       0.370   3.523   3.904  1.00 94.54           C  
+ATOM   3964  CD2 TYR B 699      -1.459   4.019   5.357  1.00 94.54           C  
+ATOM   3965  CE1 TYR B 699       1.139   3.129   4.994  1.00 94.54           C  
+ATOM   3966  CE2 TYR B 699      -0.700   3.628   6.455  1.00 94.54           C  
+ATOM   3967  OH  TYR B 699       1.352   2.796   7.347  1.00 94.54           O  
+ATOM   3968  CZ  TYR B 699       0.596   3.185   6.264  1.00 94.54           C  
+ATOM   3969  N   LEU B 700      -3.756   6.738   3.685  1.00 97.39           N  
+ATOM   3970  CA  LEU B 700      -4.542   7.324   4.766  1.00 97.39           C  
+ATOM   3971  C   LEU B 700      -4.917   6.268   5.799  1.00 97.39           C  
+ATOM   3972  CB  LEU B 700      -5.806   7.986   4.212  1.00 97.39           C  
+ATOM   3973  O   LEU B 700      -5.503   5.238   5.456  1.00 97.39           O  
+ATOM   3974  CG  LEU B 700      -5.614   9.326   3.501  1.00 97.39           C  
+ATOM   3975  CD1 LEU B 700      -6.359   9.332   2.170  1.00 97.39           C  
+ATOM   3976  CD2 LEU B 700      -6.085  10.475   4.387  1.00 97.39           C  
+ATOM   3977  N   SER B 701      -4.541   6.582   7.031  1.00 97.21           N  
+ATOM   3978  CA  SER B 701      -4.794   5.616   8.095  1.00 97.21           C  
+ATOM   3979  C   SER B 701      -6.037   5.988   8.896  1.00 97.21           C  
+ATOM   3980  CB  SER B 701      -3.587   5.518   9.028  1.00 97.21           C  
+ATOM   3981  O   SER B 701      -6.678   5.123   9.495  1.00 97.21           O  
+ATOM   3982  OG  SER B 701      -3.275   6.784   9.583  1.00 97.21           O  
+ATOM   3983  N   CYS B 702      -6.447   7.242   9.065  1.00 98.06           N  
+ATOM   3984  CA  CYS B 702      -7.613   7.692   9.817  1.00 98.06           C  
+ATOM   3985  C   CYS B 702      -8.084   9.056   9.328  1.00 98.06           C  
+ATOM   3986  CB  CYS B 702      -7.295   7.758  11.311  1.00 98.06           C  
+ATOM   3987  O   CYS B 702      -7.286   9.851   8.828  1.00 98.06           O  
+ATOM   3988  SG  CYS B 702      -8.752   7.970  12.357  1.00 98.06           S  
+ATOM   3989  N   CYS B 703      -9.424   9.295   9.408  1.00 98.18           N  
+ATOM   3990  CA  CYS B 703     -10.000  10.600   9.100  1.00 98.18           C  
+ATOM   3991  C   CYS B 703     -11.169  10.913  10.027  1.00 98.18           C  
+ATOM   3992  CB  CYS B 703     -10.463  10.652   7.645  1.00 98.18           C  
+ATOM   3993  O   CYS B 703     -11.944  10.021  10.378  1.00 98.18           O  
+ATOM   3994  SG  CYS B 703     -11.766   9.464   7.253  1.00 98.18           S  
+ATOM   3995  N   ARG B 704     -11.249  12.175  10.467  1.00 98.36           N  
+ATOM   3996  CA  ARG B 704     -12.322  12.613  11.355  1.00 98.36           C  
+ATOM   3997  C   ARG B 704     -12.781  14.024  11.004  1.00 98.36           C  
+ATOM   3998  CB  ARG B 704     -11.868  12.557  12.815  1.00 98.36           C  
+ATOM   3999  O   ARG B 704     -11.956  14.912  10.779  1.00 98.36           O  
+ATOM   4000  CG  ARG B 704     -11.630  11.147  13.333  1.00 98.36           C  
+ATOM   4001  CD  ARG B 704     -12.932  10.369  13.468  1.00 98.36           C  
+ATOM   4002  NE  ARG B 704     -12.720   9.068  14.095  1.00 98.36           N  
+ATOM   4003  NH1 ARG B 704     -12.547   7.906  12.106  1.00 98.36           N  
+ATOM   4004  NH2 ARG B 704     -12.357   6.800  14.105  1.00 98.36           N  
+ATOM   4005  CZ  ARG B 704     -12.542   7.928  13.434  1.00 98.36           C  
+ATOM   4006  N   PHE B 705     -14.109  14.172  10.892  1.00 98.29           N  
+ATOM   4007  CA  PHE B 705     -14.701  15.479  10.635  1.00 98.29           C  
+ATOM   4008  C   PHE B 705     -14.628  16.360  11.876  1.00 98.29           C  
+ATOM   4009  CB  PHE B 705     -16.156  15.331  10.180  1.00 98.29           C  
+ATOM   4010  O   PHE B 705     -15.031  15.943  12.964  1.00 98.29           O  
+ATOM   4011  CG  PHE B 705     -16.303  14.839   8.766  1.00 98.29           C  
+ATOM   4012  CD1 PHE B 705     -16.317  15.732   7.702  1.00 98.29           C  
+ATOM   4013  CD2 PHE B 705     -16.428  13.481   8.500  1.00 98.29           C  
+ATOM   4014  CE1 PHE B 705     -16.453  15.279   6.391  1.00 98.29           C  
+ATOM   4015  CE2 PHE B 705     -16.564  13.021   7.194  1.00 98.29           C  
+ATOM   4016  CZ  PHE B 705     -16.578  13.921   6.141  1.00 98.29           C  
+ATOM   4017  N   LEU B 706     -14.065  17.555  11.667  1.00 97.20           N  
+ATOM   4018  CA  LEU B 706     -14.219  18.575  12.698  1.00 97.20           C  
+ATOM   4019  C   LEU B 706     -15.632  19.147  12.690  1.00 97.20           C  
+ATOM   4020  CB  LEU B 706     -13.199  19.700  12.496  1.00 97.20           C  
+ATOM   4021  O   LEU B 706     -16.231  19.350  13.749  1.00 97.20           O  
+ATOM   4022  CG  LEU B 706     -11.817  19.480  13.112  1.00 97.20           C  
+ATOM   4023  CD1 LEU B 706     -11.001  18.520  12.254  1.00 97.20           C  
+ATOM   4024  CD2 LEU B 706     -11.088  20.809  13.278  1.00 97.20           C  
+ATOM   4025  N   ASP B 707     -16.056  19.377  11.553  1.00 96.94           N  
+ATOM   4026  CA  ASP B 707     -17.406  19.788  11.179  1.00 96.94           C  
+ATOM   4027  C   ASP B 707     -17.707  19.424   9.726  1.00 96.94           C  
+ATOM   4028  CB  ASP B 707     -17.589  21.291  11.394  1.00 96.94           C  
+ATOM   4029  O   ASP B 707     -16.960  18.669   9.102  1.00 96.94           O  
+ATOM   4030  CG  ASP B 707     -16.609  22.129  10.591  1.00 96.94           C  
+ATOM   4031  OD1 ASP B 707     -16.404  21.844   9.391  1.00 96.94           O  
+ATOM   4032  OD2 ASP B 707     -16.036  23.081  11.163  1.00 96.94           O  
+ATOM   4033  N   ASP B 708     -18.787  19.920   9.173  1.00 96.53           N  
+ATOM   4034  CA  ASP B 708     -19.189  19.514   7.830  1.00 96.53           C  
+ATOM   4035  C   ASP B 708     -18.320  20.186   6.770  1.00 96.53           C  
+ATOM   4036  CB  ASP B 708     -20.663  19.845   7.588  1.00 96.53           C  
+ATOM   4037  O   ASP B 708     -18.368  19.817   5.594  1.00 96.53           O  
+ATOM   4038  CG  ASP B 708     -21.609  18.856   8.247  1.00 96.53           C  
+ATOM   4039  OD1 ASP B 708     -21.174  18.101   9.144  1.00 96.53           O  
+ATOM   4040  OD2 ASP B 708     -22.798  18.829   7.864  1.00 96.53           O  
+ATOM   4041  N   ASN B 709     -17.416  21.063   7.216  1.00 97.52           N  
+ATOM   4042  CA  ASN B 709     -16.607  21.816   6.263  1.00 97.52           C  
+ATOM   4043  C   ASN B 709     -15.126  21.475   6.392  1.00 97.52           C  
+ATOM   4044  CB  ASN B 709     -16.823  23.320   6.447  1.00 97.52           C  
+ATOM   4045  O   ASN B 709     -14.330  21.800   5.509  1.00 97.52           O  
+ATOM   4046  CG  ASN B 709     -18.236  23.753   6.107  1.00 97.52           C  
+ATOM   4047  ND2 ASN B 709     -18.749  24.733   6.842  1.00 97.52           N  
+ATOM   4048  OD1 ASN B 709     -18.862  23.210   5.193  1.00 97.52           O  
+ATOM   4049  N   GLN B 710     -14.820  20.861   7.498  1.00 97.96           N  
+ATOM   4050  CA  GLN B 710     -13.411  20.569   7.740  1.00 97.96           C  
+ATOM   4051  C   GLN B 710     -13.217  19.121   8.181  1.00 97.96           C  
+ATOM   4052  CB  GLN B 710     -12.838  21.520   8.792  1.00 97.96           C  
+ATOM   4053  O   GLN B 710     -14.052  18.569   8.901  1.00 97.96           O  
+ATOM   4054  CG  GLN B 710     -12.781  22.973   8.341  1.00 97.96           C  
+ATOM   4055  CD  GLN B 710     -12.191  23.892   9.395  1.00 97.96           C  
+ATOM   4056  NE2 GLN B 710     -11.605  25.000   8.955  1.00 97.96           N  
+ATOM   4057  OE1 GLN B 710     -12.263  23.608  10.595  1.00 97.96           O  
+ATOM   4058  N   ILE B 711     -12.081  18.601   7.767  1.00 98.53           N  
+ATOM   4059  CA  ILE B 711     -11.758  17.224   8.126  1.00 98.53           C  
+ATOM   4060  C   ILE B 711     -10.258  17.095   8.379  1.00 98.53           C  
+ATOM   4061  CB  ILE B 711     -12.203  16.235   7.026  1.00 98.53           C  
+ATOM   4062  O   ILE B 711      -9.453  17.781   7.744  1.00 98.53           O  
+ATOM   4063  CG1 ILE B 711     -12.089  14.791   7.528  1.00 98.53           C  
+ATOM   4064  CG2 ILE B 711     -11.378  16.437   5.751  1.00 98.53           C  
+ATOM   4065  CD1 ILE B 711     -12.786  13.769   6.640  1.00 98.53           C  
+ATOM   4066  N   VAL B 712      -9.901  16.241   9.375  1.00 98.43           N  
+ATOM   4067  CA  VAL B 712      -8.502  15.952   9.673  1.00 98.43           C  
+ATOM   4068  C   VAL B 712      -8.166  14.525   9.246  1.00 98.43           C  
+ATOM   4069  CB  VAL B 712      -8.189  16.147  11.173  1.00 98.43           C  
+ATOM   4070  O   VAL B 712      -8.962  13.606   9.451  1.00 98.43           O  
+ATOM   4071  CG1 VAL B 712      -6.719  15.846  11.462  1.00 98.43           C  
+ATOM   4072  CG2 VAL B 712      -8.542  17.567  11.611  1.00 98.43           C  
+ATOM   4073  N   THR B 713      -6.952  14.409   8.656  1.00 98.64           N  
+ATOM   4074  CA  THR B 713      -6.516  13.093   8.200  1.00 98.64           C  
+ATOM   4075  C   THR B 713      -5.147  12.747   8.778  1.00 98.64           C  
+ATOM   4076  CB  THR B 713      -6.459  13.026   6.662  1.00 98.64           C  
+ATOM   4077  O   THR B 713      -4.345  13.638   9.065  1.00 98.64           O  
+ATOM   4078  CG2 THR B 713      -7.827  13.304   6.048  1.00 98.64           C  
+ATOM   4079  OG1 THR B 713      -5.525  14.001   6.182  1.00 98.64           O  
+ATOM   4080  N   SER B 714      -4.900  11.454   9.049  1.00 98.23           N  
+ATOM   4081  CA  SER B 714      -3.576  10.933   9.373  1.00 98.23           C  
+ATOM   4082  C   SER B 714      -3.063  10.005   8.278  1.00 98.23           C  
+ATOM   4083  CB  SER B 714      -3.604  10.191  10.710  1.00 98.23           C  
+ATOM   4084  O   SER B 714      -3.848   9.315   7.624  1.00 98.23           O  
+ATOM   4085  OG  SER B 714      -4.440   9.050  10.634  1.00 98.23           O  
+ATOM   4086  N   SER B 715      -1.691   9.963   8.078  1.00 98.07           N  
+ATOM   4087  CA  SER B 715      -1.185   9.303   6.878  1.00 98.07           C  
+ATOM   4088  C   SER B 715       0.122   8.570   7.161  1.00 98.07           C  
+ATOM   4089  CB  SER B 715      -0.975  10.320   5.755  1.00 98.07           C  
+ATOM   4090  O   SER B 715       0.787   8.838   8.164  1.00 98.07           O  
+ATOM   4091  OG  SER B 715      -0.350   9.713   4.638  1.00 98.07           O  
+ATOM   4092  N   GLY B 716       0.399   7.626   6.265  1.00 95.71           N  
+ATOM   4093  CA  GLY B 716       1.670   6.919   6.284  1.00 95.71           C  
+ATOM   4094  C   GLY B 716       2.837   7.778   5.838  1.00 95.71           C  
+ATOM   4095  O   GLY B 716       3.966   7.294   5.728  1.00 95.71           O  
+ATOM   4096  N   ASP B 717       2.626   8.957   5.546  1.00 94.70           N  
+ATOM   4097  CA  ASP B 717       3.690   9.889   5.188  1.00 94.70           C  
+ATOM   4098  C   ASP B 717       4.213  10.625   6.420  1.00 94.70           C  
+ATOM   4099  CB  ASP B 717       3.195  10.894   4.145  1.00 94.70           C  
+ATOM   4100  O   ASP B 717       4.862  11.666   6.298  1.00 94.70           O  
+ATOM   4101  CG  ASP B 717       2.087  11.792   4.666  1.00 94.70           C  
+ATOM   4102  OD1 ASP B 717       1.811  11.776   5.886  1.00 94.70           O  
+ATOM   4103  OD2 ASP B 717       1.481  12.519   3.850  1.00 94.70           O  
+ATOM   4104  N   THR B 718       3.800  10.190   7.549  1.00 97.39           N  
+ATOM   4105  CA  THR B 718       4.265  10.602   8.868  1.00 97.39           C  
+ATOM   4106  C   THR B 718       3.608  11.913   9.289  1.00 97.39           C  
+ATOM   4107  CB  THR B 718       5.797  10.760   8.895  1.00 97.39           C  
+ATOM   4108  O   THR B 718       4.052  12.559  10.240  1.00 97.39           O  
+ATOM   4109  CG2 THR B 718       6.489   9.503   8.380  1.00 97.39           C  
+ATOM   4110  OG1 THR B 718       6.171  11.871   8.071  1.00 97.39           O  
+ATOM   4111  N   THR B 719       2.612  12.393   8.582  1.00 97.61           N  
+ATOM   4112  CA  THR B 719       1.987  13.675   8.891  1.00 97.61           C  
+ATOM   4113  C   THR B 719       0.484  13.509   9.091  1.00 97.61           C  
+ATOM   4114  CB  THR B 719       2.249  14.706   7.777  1.00 97.61           C  
+ATOM   4115  O   THR B 719      -0.083  12.471   8.745  1.00 97.61           O  
+ATOM   4116  CG2 THR B 719       3.740  14.838   7.488  1.00 97.61           C  
+ATOM   4117  OG1 THR B 719       1.577  14.291   6.582  1.00 97.61           O  
+ATOM   4118  N   CYS B 720      -0.151  14.477   9.779  1.00 98.36           N  
+ATOM   4119  CA  CYS B 720      -1.583  14.754   9.760  1.00 98.36           C  
+ATOM   4120  C   CYS B 720      -1.883  16.025   8.974  1.00 98.36           C  
+ATOM   4121  CB  CYS B 720      -2.123  14.885  11.184  1.00 98.36           C  
+ATOM   4122  O   CYS B 720      -1.006  16.874   8.802  1.00 98.36           O  
+ATOM   4123  SG  CYS B 720      -1.867  13.413  12.198  1.00 98.36           S  
+ATOM   4124  N   ALA B 721      -3.130  16.063   8.440  1.00 98.02           N  
+ATOM   4125  CA  ALA B 721      -3.483  17.238   7.646  1.00 98.02           C  
+ATOM   4126  C   ALA B 721      -4.912  17.687   7.936  1.00 98.02           C  
+ATOM   4127  CB  ALA B 721      -3.312  16.945   6.157  1.00 98.02           C  
+ATOM   4128  O   ALA B 721      -5.809  16.857   8.100  1.00 98.02           O  
+ATOM   4129  N   LEU B 722      -5.041  19.012   8.043  1.00 98.24           N  
+ATOM   4130  CA  LEU B 722      -6.353  19.647   8.108  1.00 98.24           C  
+ATOM   4131  C   LEU B 722      -6.789  20.137   6.731  1.00 98.24           C  
+ATOM   4132  CB  LEU B 722      -6.335  20.815   9.097  1.00 98.24           C  
+ATOM   4133  O   LEU B 722      -6.034  20.833   6.048  1.00 98.24           O  
+ATOM   4134  CG  LEU B 722      -7.651  21.574   9.274  1.00 98.24           C  
+ATOM   4135  CD1 LEU B 722      -8.706  20.668   9.899  1.00 98.24           C  
+ATOM   4136  CD2 LEU B 722      -7.439  22.822  10.125  1.00 98.24           C  
+ATOM   4137  N   TRP B 723      -8.090  19.750   6.424  1.00 98.25           N  
+ATOM   4138  CA  TRP B 723      -8.566  20.058   5.080  1.00 98.25           C  
+ATOM   4139  C   TRP B 723      -9.810  20.938   5.131  1.00 98.25           C  
+ATOM   4140  CB  TRP B 723      -8.866  18.771   4.307  1.00 98.25           C  
+ATOM   4141  O   TRP B 723     -10.650  20.785   6.022  1.00 98.25           O  
+ATOM   4142  CG  TRP B 723      -7.714  17.813   4.249  1.00 98.25           C  
+ATOM   4143  CD1 TRP B 723      -7.358  16.894   5.197  1.00 98.25           C  
+ATOM   4144  CD2 TRP B 723      -6.764  17.683   3.188  1.00 98.25           C  
+ATOM   4145  CE2 TRP B 723      -5.859  16.664   3.559  1.00 98.25           C  
+ATOM   4146  CE3 TRP B 723      -6.590  18.330   1.957  1.00 98.25           C  
+ATOM   4147  NE1 TRP B 723      -6.243  16.200   4.788  1.00 98.25           N  
+ATOM   4148  CH2 TRP B 723      -4.647  16.926   1.543  1.00 98.25           C  
+ATOM   4149  CZ2 TRP B 723      -4.794  16.277   2.741  1.00 98.25           C  
+ATOM   4150  CZ3 TRP B 723      -5.530  17.943   1.145  1.00 98.25           C  
+ATOM   4151  N   ASP B 724      -9.806  21.839   4.177  1.00 97.55           N  
+ATOM   4152  CA  ASP B 724     -11.055  22.504   3.820  1.00 97.55           C  
+ATOM   4153  C   ASP B 724     -11.791  21.738   2.723  1.00 97.55           C  
+ATOM   4154  CB  ASP B 724     -10.787  23.942   3.369  1.00 97.55           C  
+ATOM   4155  O   ASP B 724     -11.321  21.667   1.586  1.00 97.55           O  
+ATOM   4156  CG  ASP B 724     -12.060  24.733   3.125  1.00 97.55           C  
+ATOM   4157  OD1 ASP B 724     -12.841  24.368   2.219  1.00 97.55           O  
+ATOM   4158  OD2 ASP B 724     -12.283  25.732   3.842  1.00 97.55           O  
+ATOM   4159  N   ILE B 725     -12.975  21.290   3.076  1.00 97.48           N  
+ATOM   4160  CA  ILE B 725     -13.675  20.369   2.186  1.00 97.48           C  
+ATOM   4161  C   ILE B 725     -14.203  21.128   0.971  1.00 97.48           C  
+ATOM   4162  CB  ILE B 725     -14.833  19.651   2.915  1.00 97.48           C  
+ATOM   4163  O   ILE B 725     -14.105  20.645  -0.160  1.00 97.48           O  
+ATOM   4164  CG1 ILE B 725     -14.285  18.737   4.017  1.00 97.48           C  
+ATOM   4165  CG2 ILE B 725     -15.687  18.859   1.920  1.00 97.48           C  
+ATOM   4166  CD1 ILE B 725     -15.360  18.129   4.907  1.00 97.48           C  
+ATOM   4167  N   GLU B 726     -14.627  22.305   1.137  1.00 95.47           N  
+ATOM   4168  CA  GLU B 726     -15.188  23.104   0.051  1.00 95.47           C  
+ATOM   4169  C   GLU B 726     -14.132  23.420  -1.004  1.00 95.47           C  
+ATOM   4170  CB  GLU B 726     -15.794  24.401   0.594  1.00 95.47           C  
+ATOM   4171  O   GLU B 726     -14.365  23.232  -2.200  1.00 95.47           O  
+ATOM   4172  CG  GLU B 726     -16.500  25.239  -0.461  1.00 95.47           C  
+ATOM   4173  CD  GLU B 726     -17.166  26.482   0.107  1.00 95.47           C  
+ATOM   4174  OE1 GLU B 726     -17.787  27.246  -0.667  1.00 95.47           O  
+ATOM   4175  OE2 GLU B 726     -17.066  26.694   1.336  1.00 95.47           O  
+ATOM   4176  N   THR B 727     -12.978  23.846  -0.583  1.00 95.73           N  
+ATOM   4177  CA  THR B 727     -11.934  24.262  -1.513  1.00 95.73           C  
+ATOM   4178  C   THR B 727     -11.057  23.078  -1.908  1.00 95.73           C  
+ATOM   4179  CB  THR B 727     -11.057  25.374  -0.908  1.00 95.73           C  
+ATOM   4180  O   THR B 727     -10.341  23.136  -2.910  1.00 95.73           O  
+ATOM   4181  CG2 THR B 727     -11.903  26.568  -0.477  1.00 95.73           C  
+ATOM   4182  OG1 THR B 727     -10.363  24.858   0.234  1.00 95.73           O  
+ATOM   4183  N   GLY B 728     -11.100  21.972  -1.198  1.00 95.65           N  
+ATOM   4184  CA  GLY B 728     -10.259  20.811  -1.444  1.00 95.65           C  
+ATOM   4185  C   GLY B 728      -8.801  21.047  -1.098  1.00 95.65           C  
+ATOM   4186  O   GLY B 728      -7.927  20.285  -1.517  1.00 95.65           O  
+ATOM   4187  N   GLN B 729      -8.566  22.106  -0.334  1.00 95.33           N  
+ATOM   4188  CA  GLN B 729      -7.192  22.492  -0.029  1.00 95.33           C  
+ATOM   4189  C   GLN B 729      -6.786  22.026   1.366  1.00 95.33           C  
+ATOM   4190  CB  GLN B 729      -7.022  24.008  -0.146  1.00 95.33           C  
+ATOM   4191  O   GLN B 729      -7.605  22.021   2.288  1.00 95.33           O  
+ATOM   4192  CG  GLN B 729      -7.061  24.522  -1.579  1.00 95.33           C  
+ATOM   4193  CD  GLN B 729      -6.723  25.997  -1.682  1.00 95.33           C  
+ATOM   4194  NE2 GLN B 729      -6.491  26.468  -2.903  1.00 95.33           N  
+ATOM   4195  OE1 GLN B 729      -6.673  26.708  -0.674  1.00 95.33           O  
+ATOM   4196  N   GLN B 730      -5.497  21.671   1.339  1.00 95.63           N  
+ATOM   4197  CA  GLN B 730      -4.865  21.418   2.630  1.00 95.63           C  
+ATOM   4198  C   GLN B 730      -4.547  22.725   3.352  1.00 95.63           C  
+ATOM   4199  CB  GLN B 730      -3.589  20.593   2.451  1.00 95.63           C  
+ATOM   4200  O   GLN B 730      -3.712  23.507   2.892  1.00 95.63           O  
+ATOM   4201  CG  GLN B 730      -2.960  20.142   3.762  1.00 95.63           C  
+ATOM   4202  CD  GLN B 730      -1.675  19.362   3.558  1.00 95.63           C  
+ATOM   4203  NE2 GLN B 730      -0.707  19.571   4.444  1.00 95.63           N  
+ATOM   4204  OE1 GLN B 730      -1.553  18.577   2.612  1.00 95.63           O  
+ATOM   4205  N   THR B 731      -5.248  22.931   4.588  1.00 95.83           N  
+ATOM   4206  CA  THR B 731      -5.100  24.198   5.294  1.00 95.83           C  
+ATOM   4207  C   THR B 731      -3.888  24.162   6.221  1.00 95.83           C  
+ATOM   4208  CB  THR B 731      -6.363  24.534   6.109  1.00 95.83           C  
+ATOM   4209  O   THR B 731      -3.124  25.127   6.290  1.00 95.83           O  
+ATOM   4210  CG2 THR B 731      -7.555  24.791   5.193  1.00 95.83           C  
+ATOM   4211  OG1 THR B 731      -6.670  23.438   6.978  1.00 95.83           O  
+ATOM   4212  N   THR B 732      -3.719  23.085   6.909  1.00 96.83           N  
+ATOM   4213  CA  THR B 732      -2.609  22.943   7.844  1.00 96.83           C  
+ATOM   4214  C   THR B 732      -1.997  21.548   7.750  1.00 96.83           C  
+ATOM   4215  CB  THR B 732      -3.059  23.212   9.292  1.00 96.83           C  
+ATOM   4216  O   THR B 732      -2.719  20.552   7.667  1.00 96.83           O  
+ATOM   4217  CG2 THR B 732      -1.871  23.205  10.248  1.00 96.83           C  
+ATOM   4218  OG1 THR B 732      -3.703  24.491   9.356  1.00 96.83           O  
+ATOM   4219  N   THR B 733      -0.667  21.507   7.748  1.00 96.85           N  
+ATOM   4220  CA  THR B 733       0.054  20.244   7.858  1.00 96.85           C  
+ATOM   4221  C   THR B 733       0.704  20.110   9.233  1.00 96.85           C  
+ATOM   4222  CB  THR B 733       1.130  20.117   6.764  1.00 96.85           C  
+ATOM   4223  O   THR B 733       1.430  21.005   9.671  1.00 96.85           O  
+ATOM   4224  CG2 THR B 733       1.842  18.771   6.846  1.00 96.85           C  
+ATOM   4225  OG1 THR B 733       0.511  20.240   5.477  1.00 96.85           O  
+ATOM   4226  N   PHE B 734       0.378  18.979   9.897  1.00 97.99           N  
+ATOM   4227  CA  PHE B 734       0.944  18.708  11.213  1.00 97.99           C  
+ATOM   4228  C   PHE B 734       2.113  17.735  11.110  1.00 97.99           C  
+ATOM   4229  CB  PHE B 734      -0.126  18.145  12.154  1.00 97.99           C  
+ATOM   4230  O   PHE B 734       1.913  16.539  10.888  1.00 97.99           O  
+ATOM   4231  CG  PHE B 734      -1.347  19.016  12.274  1.00 97.99           C  
+ATOM   4232  CD1 PHE B 734      -1.410  20.023  13.229  1.00 97.99           C  
+ATOM   4233  CD2 PHE B 734      -2.434  18.828  11.430  1.00 97.99           C  
+ATOM   4234  CE1 PHE B 734      -2.539  20.831  13.342  1.00 97.99           C  
+ATOM   4235  CE2 PHE B 734      -3.566  19.631  11.537  1.00 97.99           C  
+ATOM   4236  CZ  PHE B 734      -3.617  20.631  12.494  1.00 97.99           C  
+ATOM   4237  N   THR B 735       3.386  18.319  11.375  1.00 95.96           N  
+ATOM   4238  CA  THR B 735       4.615  17.544  11.248  1.00 95.96           C  
+ATOM   4239  C   THR B 735       5.267  17.336  12.612  1.00 95.96           C  
+ATOM   4240  CB  THR B 735       5.613  18.232  10.298  1.00 95.96           C  
+ATOM   4241  O   THR B 735       5.282  18.246  13.443  1.00 95.96           O  
+ATOM   4242  CG2 THR B 735       5.052  18.325   8.883  1.00 95.96           C  
+ATOM   4243  OG1 THR B 735       5.889  19.553  10.779  1.00 95.96           O  
+ATOM   4244  N   GLY B 736       5.649  16.141  12.931  1.00 93.99           N  
+ATOM   4245  CA  GLY B 736       6.300  15.863  14.201  1.00 93.99           C  
+ATOM   4246  C   GLY B 736       6.564  14.386  14.425  1.00 93.99           C  
+ATOM   4247  O   GLY B 736       7.578  14.014  15.020  1.00 93.99           O  
+ATOM   4248  N   HIS B 737       5.798  13.527  13.870  1.00 97.22           N  
+ATOM   4249  CA  HIS B 737       6.019  12.091  13.994  1.00 97.22           C  
+ATOM   4250  C   HIS B 737       7.154  11.627  13.088  1.00 97.22           C  
+ATOM   4251  CB  HIS B 737       4.737  11.322  13.665  1.00 97.22           C  
+ATOM   4252  O   HIS B 737       7.403  12.228  12.040  1.00 97.22           O  
+ATOM   4253  CG  HIS B 737       3.757  11.279  14.793  1.00 97.22           C  
+ATOM   4254  CD2 HIS B 737       2.505  11.781  14.902  1.00 97.22           C  
+ATOM   4255  ND1 HIS B 737       4.031  10.661  15.994  1.00 97.22           N  
+ATOM   4256  CE1 HIS B 737       2.986  10.784  16.795  1.00 97.22           C  
+ATOM   4257  NE2 HIS B 737       2.046  11.461  16.156  1.00 97.22           N  
+ATOM   4258  N   THR B 738       7.887  10.613  13.481  1.00 94.39           N  
+ATOM   4259  CA  THR B 738       8.982  10.061  12.691  1.00 94.39           C  
+ATOM   4260  C   THR B 738       8.589   8.715  12.087  1.00 94.39           C  
+ATOM   4261  CB  THR B 738      10.255   9.893  13.541  1.00 94.39           C  
+ATOM   4262  O   THR B 738       9.423   8.027  11.495  1.00 94.39           O  
+ATOM   4263  CG2 THR B 738      10.777  11.243  14.022  1.00 94.39           C  
+ATOM   4264  OG1 THR B 738       9.958   9.074  14.679  1.00 94.39           O  
+ATOM   4265  N   GLY B 739       7.429   8.244  12.322  1.00 92.72           N  
+ATOM   4266  CA  GLY B 739       6.841   7.043  11.749  1.00 92.72           C  
+ATOM   4267  C   GLY B 739       5.449   7.269  11.190  1.00 92.72           C  
+ATOM   4268  O   GLY B 739       4.922   8.382  11.252  1.00 92.72           O  
+ATOM   4269  N   ASP B 740       4.850   6.214  10.582  1.00 97.46           N  
+ATOM   4270  CA  ASP B 740       3.498   6.297  10.039  1.00 97.46           C  
+ATOM   4271  C   ASP B 740       2.492   6.667  11.127  1.00 97.46           C  
+ATOM   4272  CB  ASP B 740       3.100   4.973   9.383  1.00 97.46           C  
+ATOM   4273  O   ASP B 740       2.458   6.040  12.188  1.00 97.46           O  
+ATOM   4274  CG  ASP B 740       3.965   4.621   8.186  1.00 97.46           C  
+ATOM   4275  OD1 ASP B 740       4.878   5.403   7.842  1.00 97.46           O  
+ATOM   4276  OD2 ASP B 740       3.730   3.554   7.579  1.00 97.46           O  
+ATOM   4277  N   VAL B 741       1.726   7.706  10.833  1.00 98.37           N  
+ATOM   4278  CA  VAL B 741       0.644   8.046  11.750  1.00 98.37           C  
+ATOM   4279  C   VAL B 741      -0.542   7.112  11.519  1.00 98.37           C  
+ATOM   4280  CB  VAL B 741       0.203   9.518  11.587  1.00 98.37           C  
+ATOM   4281  O   VAL B 741      -1.113   7.082  10.426  1.00 98.37           O  
+ATOM   4282  CG1 VAL B 741      -0.831   9.893  12.648  1.00 98.37           C  
+ATOM   4283  CG2 VAL B 741       1.412  10.448  11.662  1.00 98.37           C  
+ATOM   4284  N   MET B 742      -0.922   6.373  12.559  1.00 97.70           N  
+ATOM   4285  CA  MET B 742      -1.833   5.247  12.377  1.00 97.70           C  
+ATOM   4286  C   MET B 742      -3.249   5.618  12.806  1.00 97.70           C  
+ATOM   4287  CB  MET B 742      -1.350   4.029  13.166  1.00 97.70           C  
+ATOM   4288  O   MET B 742      -4.220   5.021  12.340  1.00 97.70           O  
+ATOM   4289  CG  MET B 742      -0.023   3.471  12.678  1.00 97.70           C  
+ATOM   4290  SD  MET B 742      -0.057   3.030  10.898  1.00 97.70           S  
+ATOM   4291  CE  MET B 742      -1.235   1.650  10.932  1.00 97.70           C  
+ATOM   4292  N   SER B 743      -3.426   6.493  13.760  1.00 97.48           N  
+ATOM   4293  CA  SER B 743      -4.741   6.819  14.303  1.00 97.48           C  
+ATOM   4294  C   SER B 743      -4.773   8.238  14.859  1.00 97.48           C  
+ATOM   4295  CB  SER B 743      -5.131   5.824  15.397  1.00 97.48           C  
+ATOM   4296  O   SER B 743      -3.733   8.795  15.214  1.00 97.48           O  
+ATOM   4297  OG  SER B 743      -4.259   5.933  16.509  1.00 97.48           O  
+ATOM   4298  N   LEU B 744      -5.859   8.855  14.801  1.00 97.93           N  
+ATOM   4299  CA  LEU B 744      -6.078  10.151  15.434  1.00 97.93           C  
+ATOM   4300  C   LEU B 744      -7.445  10.201  16.110  1.00 97.93           C  
+ATOM   4301  CB  LEU B 744      -5.964  11.277  14.404  1.00 97.93           C  
+ATOM   4302  O   LEU B 744      -8.344   9.433  15.759  1.00 97.93           O  
+ATOM   4303  CG  LEU B 744      -6.967  11.244  13.249  1.00 97.93           C  
+ATOM   4304  CD1 LEU B 744      -8.302  11.836  13.690  1.00 97.93           C  
+ATOM   4305  CD2 LEU B 744      -6.417  11.994  12.041  1.00 97.93           C  
+ATOM   4306  N   SER B 745      -7.591  10.978  17.179  1.00 98.32           N  
+ATOM   4307  CA  SER B 745      -8.838  11.187  17.907  1.00 98.32           C  
+ATOM   4308  C   SER B 745      -9.037  12.660  18.250  1.00 98.32           C  
+ATOM   4309  CB  SER B 745      -8.859  10.350  19.186  1.00 98.32           C  
+ATOM   4310  O   SER B 745      -8.116  13.320  18.734  1.00 98.32           O  
+ATOM   4311  OG  SER B 745     -10.087  10.515  19.875  1.00 98.32           O  
+ATOM   4312  N   LEU B 746     -10.238  13.124  17.922  1.00 97.81           N  
+ATOM   4313  CA  LEU B 746     -10.568  14.511  18.230  1.00 97.81           C  
+ATOM   4314  C   LEU B 746     -11.029  14.651  19.677  1.00 97.81           C  
+ATOM   4315  CB  LEU B 746     -11.656  15.027  17.284  1.00 97.81           C  
+ATOM   4316  O   LEU B 746     -11.778  13.810  20.179  1.00 97.81           O  
+ATOM   4317  CG  LEU B 746     -11.274  15.134  15.807  1.00 97.81           C  
+ATOM   4318  CD1 LEU B 746     -12.499  15.476  14.966  1.00 97.81           C  
+ATOM   4319  CD2 LEU B 746     -10.177  16.175  15.611  1.00 97.81           C  
+ATOM   4320  N   ALA B 747     -10.547  15.704  20.320  1.00 97.02           N  
+ATOM   4321  CA  ALA B 747     -11.119  16.067  21.615  1.00 97.02           C  
+ATOM   4322  C   ALA B 747     -12.575  16.501  21.469  1.00 97.02           C  
+ATOM   4323  CB  ALA B 747     -10.298  17.178  22.266  1.00 97.02           C  
+ATOM   4324  O   ALA B 747     -12.985  16.972  20.405  1.00 97.02           O  
+ATOM   4325  N   PRO B 748     -13.355  16.385  22.558  1.00 94.87           N  
+ATOM   4326  CA  PRO B 748     -14.771  16.757  22.503  1.00 94.87           C  
+ATOM   4327  C   PRO B 748     -14.984  18.202  22.058  1.00 94.87           C  
+ATOM   4328  CB  PRO B 748     -15.245  16.554  23.944  1.00 94.87           C  
+ATOM   4329  O   PRO B 748     -15.941  18.495  21.336  1.00 94.87           O  
+ATOM   4330  CG  PRO B 748     -14.387  15.453  24.477  1.00 94.87           C  
+ATOM   4331  CD  PRO B 748     -13.004  15.610  23.912  1.00 94.87           C  
+ATOM   4332  N   ASP B 749     -14.102  19.071  22.355  1.00 92.47           N  
+ATOM   4333  CA  ASP B 749     -14.248  20.474  21.979  1.00 92.47           C  
+ATOM   4334  C   ASP B 749     -13.740  20.718  20.559  1.00 92.47           C  
+ATOM   4335  CB  ASP B 749     -13.504  21.375  22.966  1.00 92.47           C  
+ATOM   4336  O   ASP B 749     -13.789  21.844  20.062  1.00 92.47           O  
+ATOM   4337  CG  ASP B 749     -12.008  21.112  22.997  1.00 92.47           C  
+ATOM   4338  OD1 ASP B 749     -11.518  20.285  22.199  1.00 92.47           O  
+ATOM   4339  OD2 ASP B 749     -11.315  21.736  23.829  1.00 92.47           O  
+ATOM   4340  N   THR B 750     -13.105  19.744  19.914  1.00 93.78           N  
+ATOM   4341  CA  THR B 750     -12.652  19.723  18.528  1.00 93.78           C  
+ATOM   4342  C   THR B 750     -11.555  20.759  18.301  1.00 93.78           C  
+ATOM   4343  CB  THR B 750     -13.818  19.985  17.556  1.00 93.78           C  
+ATOM   4344  O   THR B 750     -11.276  21.136  17.161  1.00 93.78           O  
+ATOM   4345  CG2 THR B 750     -14.907  18.928  17.706  1.00 93.78           C  
+ATOM   4346  OG1 THR B 750     -14.378  21.275  17.827  1.00 93.78           O  
+ATOM   4347  N   ARG B 751     -10.964  21.249  19.372  1.00 93.44           N  
+ATOM   4348  CA  ARG B 751      -9.858  22.196  19.279  1.00 93.44           C  
+ATOM   4349  C   ARG B 751      -8.516  21.473  19.287  1.00 93.44           C  
+ATOM   4350  CB  ARG B 751      -9.916  23.206  20.427  1.00 93.44           C  
+ATOM   4351  O   ARG B 751      -7.519  21.996  18.784  1.00 93.44           O  
+ATOM   4352  CG  ARG B 751     -11.111  24.144  20.362  1.00 93.44           C  
+ATOM   4353  CD  ARG B 751     -11.082  25.172  21.485  1.00 93.44           C  
+ATOM   4354  NE  ARG B 751     -12.295  25.985  21.503  1.00 93.44           N  
+ATOM   4355  NH1 ARG B 751     -11.635  27.302  23.282  1.00 93.44           N  
+ATOM   4356  NH2 ARG B 751     -13.668  27.652  22.283  1.00 93.44           N  
+ATOM   4357  CZ  ARG B 751     -12.530  26.978  22.356  1.00 93.44           C  
+ATOM   4358  N   LEU B 752      -8.580  20.352  19.933  1.00 96.54           N  
+ATOM   4359  CA  LEU B 752      -7.387  19.522  20.054  1.00 96.54           C  
+ATOM   4360  C   LEU B 752      -7.609  18.155  19.416  1.00 96.54           C  
+ATOM   4361  CB  LEU B 752      -6.997  19.354  21.525  1.00 96.54           C  
+ATOM   4362  O   LEU B 752      -8.750  17.709  19.275  1.00 96.54           O  
+ATOM   4363  CG  LEU B 752      -6.729  20.642  22.307  1.00 96.54           C  
+ATOM   4364  CD1 LEU B 752      -6.540  20.333  23.788  1.00 96.54           C  
+ATOM   4365  CD2 LEU B 752      -5.510  21.364  21.745  1.00 96.54           C  
+ATOM   4366  N   PHE B 753      -6.580  17.604  18.982  1.00 98.04           N  
+ATOM   4367  CA  PHE B 753      -6.625  16.186  18.642  1.00 98.04           C  
+ATOM   4368  C   PHE B 753      -5.310  15.503  18.995  1.00 98.04           C  
+ATOM   4369  CB  PHE B 753      -6.931  15.998  17.153  1.00 98.04           C  
+ATOM   4370  O   PHE B 753      -4.291  16.169  19.193  1.00 98.04           O  
+ATOM   4371  CG  PHE B 753      -5.773  16.323  16.249  1.00 98.04           C  
+ATOM   4372  CD1 PHE B 753      -5.552  17.626  15.819  1.00 98.04           C  
+ATOM   4373  CD2 PHE B 753      -4.903  15.325  15.830  1.00 98.04           C  
+ATOM   4374  CE1 PHE B 753      -4.480  17.929  14.983  1.00 98.04           C  
+ATOM   4375  CE2 PHE B 753      -3.830  15.620  14.994  1.00 98.04           C  
+ATOM   4376  CZ  PHE B 753      -3.621  16.923  14.571  1.00 98.04           C  
+ATOM   4377  N   VAL B 754      -5.446  14.190  19.178  1.00 98.52           N  
+ATOM   4378  CA  VAL B 754      -4.261  13.393  19.480  1.00 98.52           C  
+ATOM   4379  C   VAL B 754      -4.023  12.378  18.365  1.00 98.52           C  
+ATOM   4380  CB  VAL B 754      -4.395  12.670  20.839  1.00 98.52           C  
+ATOM   4381  O   VAL B 754      -4.972  11.902  17.737  1.00 98.52           O  
+ATOM   4382  CG1 VAL B 754      -4.450  13.679  21.985  1.00 98.52           C  
+ATOM   4383  CG2 VAL B 754      -5.635  11.778  20.849  1.00 98.52           C  
+ATOM   4384  N   SER B 755      -2.719  12.172  18.101  1.00 98.62           N  
+ATOM   4385  CA  SER B 755      -2.341  11.186  17.094  1.00 98.62           C  
+ATOM   4386  C   SER B 755      -1.414  10.126  17.679  1.00 98.62           C  
+ATOM   4387  CB  SER B 755      -1.663  11.867  15.904  1.00 98.62           C  
+ATOM   4388  O   SER B 755      -0.640  10.408  18.595  1.00 98.62           O  
+ATOM   4389  OG  SER B 755      -0.467  12.511  16.308  1.00 98.62           O  
+ATOM   4390  N   GLY B 756      -1.570   8.857  17.221  1.00 98.42           N  
+ATOM   4391  CA  GLY B 756      -0.664   7.756  17.506  1.00 98.42           C  
+ATOM   4392  C   GLY B 756       0.083   7.264  16.280  1.00 98.42           C  
+ATOM   4393  O   GLY B 756      -0.495   7.157  15.197  1.00 98.42           O  
+ATOM   4394  N   ALA B 757       1.360   6.857  16.500  1.00 98.29           N  
+ATOM   4395  CA  ALA B 757       2.151   6.593  15.300  1.00 98.29           C  
+ATOM   4396  C   ALA B 757       3.092   5.411  15.512  1.00 98.29           C  
+ATOM   4397  CB  ALA B 757       2.945   7.836  14.903  1.00 98.29           C  
+ATOM   4398  O   ALA B 757       3.190   4.878  16.620  1.00 98.29           O  
+ATOM   4399  N   CYS B 758       3.798   4.978  14.396  1.00 97.15           N  
+ATOM   4400  CA  CYS B 758       4.766   3.887  14.399  1.00 97.15           C  
+ATOM   4401  C   CYS B 758       6.120   4.360  14.914  1.00 97.15           C  
+ATOM   4402  CB  CYS B 758       4.920   3.302  12.996  1.00 97.15           C  
+ATOM   4403  O   CYS B 758       7.162   3.875  14.470  1.00 97.15           O  
+ATOM   4404  SG  CYS B 758       3.442   2.456  12.393  1.00 97.15           S  
+ATOM   4405  N   ASP B 759       6.168   5.333  15.653  1.00 95.46           N  
+ATOM   4406  CA  ASP B 759       7.341   5.775  16.402  1.00 95.46           C  
+ATOM   4407  C   ASP B 759       7.138   5.581  17.903  1.00 95.46           C  
+ATOM   4408  CB  ASP B 759       7.650   7.242  16.098  1.00 95.46           C  
+ATOM   4409  O   ASP B 759       7.857   6.170  18.713  1.00 95.46           O  
+ATOM   4410  CG  ASP B 759       6.511   8.177  16.467  1.00 95.46           C  
+ATOM   4411  OD1 ASP B 759       5.553   7.736  17.139  1.00 95.46           O  
+ATOM   4412  OD2 ASP B 759       6.570   9.364  16.081  1.00 95.46           O  
+ATOM   4413  N   ALA B 760       6.064   4.894  18.187  1.00 96.80           N  
+ATOM   4414  CA  ALA B 760       5.704   4.445  19.530  1.00 96.80           C  
+ATOM   4415  C   ALA B 760       5.320   5.625  20.418  1.00 96.80           C  
+ATOM   4416  CB  ALA B 760       6.857   3.665  20.157  1.00 96.80           C  
+ATOM   4417  O   ALA B 760       5.482   5.570  21.639  1.00 96.80           O  
+ATOM   4418  N   SER B 761       4.918   6.746  19.806  1.00 97.53           N  
+ATOM   4419  CA  SER B 761       4.554   7.924  20.586  1.00 97.53           C  
+ATOM   4420  C   SER B 761       3.171   8.438  20.198  1.00 97.53           C  
+ATOM   4421  CB  SER B 761       5.590   9.033  20.398  1.00 97.53           C  
+ATOM   4422  O   SER B 761       2.679   8.147  19.106  1.00 97.53           O  
+ATOM   4423  OG  SER B 761       5.545   9.544  19.076  1.00 97.53           O  
+ATOM   4424  N   ALA B 762       2.501   9.080  21.184  1.00 98.41           N  
+ATOM   4425  CA  ALA B 762       1.288   9.861  20.960  1.00 98.41           C  
+ATOM   4426  C   ALA B 762       1.574  11.357  21.054  1.00 98.41           C  
+ATOM   4427  CB  ALA B 762       0.208   9.466  21.964  1.00 98.41           C  
+ATOM   4428  O   ALA B 762       2.334  11.798  21.920  1.00 98.41           O  
+ATOM   4429  N   LYS B 763       0.937  12.099  20.137  1.00 98.42           N  
+ATOM   4430  CA  LYS B 763       1.176  13.539  20.133  1.00 98.42           C  
+ATOM   4431  C   LYS B 763      -0.137  14.315  20.176  1.00 98.42           C  
+ATOM   4432  CB  LYS B 763       1.985  13.946  18.900  1.00 98.42           C  
+ATOM   4433  O   LYS B 763      -1.097  13.959  19.489  1.00 98.42           O  
+ATOM   4434  CG  LYS B 763       3.447  13.528  18.953  1.00 98.42           C  
+ATOM   4435  CD  LYS B 763       4.210  14.008  17.725  1.00 98.42           C  
+ATOM   4436  CE  LYS B 763       5.661  13.545  17.751  1.00 98.42           C  
+ATOM   4437  NZ  LYS B 763       6.434  14.207  18.843  1.00 98.42           N  
+ATOM   4438  N   LEU B 764      -0.114  15.339  21.002  1.00 98.16           N  
+ATOM   4439  CA  LEU B 764      -1.242  16.253  21.141  1.00 98.16           C  
+ATOM   4440  C   LEU B 764      -1.059  17.481  20.257  1.00 98.16           C  
+ATOM   4441  CB  LEU B 764      -1.408  16.681  22.602  1.00 98.16           C  
+ATOM   4442  O   LEU B 764      -0.008  18.125  20.291  1.00 98.16           O  
+ATOM   4443  CG  LEU B 764      -2.577  17.619  22.905  1.00 98.16           C  
+ATOM   4444  CD1 LEU B 764      -3.903  16.879  22.760  1.00 98.16           C  
+ATOM   4445  CD2 LEU B 764      -2.439  18.212  24.303  1.00 98.16           C  
+ATOM   4446  N   TRP B 765      -2.168  17.779  19.505  1.00 97.82           N  
+ATOM   4447  CA  TRP B 765      -2.092  18.873  18.542  1.00 97.82           C  
+ATOM   4448  C   TRP B 765      -3.206  19.887  18.782  1.00 97.82           C  
+ATOM   4449  CB  TRP B 765      -2.173  18.336  17.110  1.00 97.82           C  
+ATOM   4450  O   TRP B 765      -4.315  19.518  19.176  1.00 97.82           O  
+ATOM   4451  CG  TRP B 765      -1.291  17.151  16.853  1.00 97.82           C  
+ATOM   4452  CD1 TRP B 765      -1.610  15.833  17.030  1.00 97.82           C  
+ATOM   4453  CD2 TRP B 765       0.058  17.178  16.377  1.00 97.82           C  
+ATOM   4454  CE2 TRP B 765       0.496  15.838  16.288  1.00 97.82           C  
+ATOM   4455  CE3 TRP B 765       0.939  18.206  16.017  1.00 97.82           C  
+ATOM   4456  NE1 TRP B 765      -0.539  15.038  16.691  1.00 97.82           N  
+ATOM   4457  CH2 TRP B 765       2.621  16.524  15.505  1.00 97.82           C  
+ATOM   4458  CZ2 TRP B 765       1.779  15.499  15.852  1.00 97.82           C  
+ATOM   4459  CZ3 TRP B 765       2.216  17.867  15.583  1.00 97.82           C  
+ATOM   4460  N   ASP B 766      -2.815  21.094  18.566  1.00 95.25           N  
+ATOM   4461  CA  ASP B 766      -3.816  22.148  18.436  1.00 95.25           C  
+ATOM   4462  C   ASP B 766      -4.180  22.382  16.971  1.00 95.25           C  
+ATOM   4463  CB  ASP B 766      -3.312  23.448  19.066  1.00 95.25           C  
+ATOM   4464  O   ASP B 766      -3.317  22.721  16.158  1.00 95.25           O  
+ATOM   4465  CG  ASP B 766      -4.390  24.511  19.176  1.00 95.25           C  
+ATOM   4466  OD1 ASP B 766      -5.038  24.830  18.156  1.00 95.25           O  
+ATOM   4467  OD2 ASP B 766      -4.591  25.038  20.291  1.00 95.25           O  
+ATOM   4468  N   VAL B 767      -5.468  22.354  16.685  1.00 94.88           N  
+ATOM   4469  CA  VAL B 767      -5.922  22.393  15.298  1.00 94.88           C  
+ATOM   4470  C   VAL B 767      -5.610  23.758  14.690  1.00 94.88           C  
+ATOM   4471  CB  VAL B 767      -7.433  22.092  15.187  1.00 94.88           C  
+ATOM   4472  O   VAL B 767      -5.262  23.854  13.510  1.00 94.88           O  
+ATOM   4473  CG1 VAL B 767      -7.919  22.290  13.753  1.00 94.88           C  
+ATOM   4474  CG2 VAL B 767      -7.730  20.671  15.664  1.00 94.88           C  
+ATOM   4475  N   ARG B 768      -5.480  24.848  15.409  1.00 92.26           N  
+ATOM   4476  CA  ARG B 768      -5.308  26.209  14.911  1.00 92.26           C  
+ATOM   4477  C   ARG B 768      -3.830  26.559  14.770  1.00 92.26           C  
+ATOM   4478  CB  ARG B 768      -5.998  27.212  15.838  1.00 92.26           C  
+ATOM   4479  O   ARG B 768      -3.434  27.231  13.816  1.00 92.26           O  
+ATOM   4480  CG  ARG B 768      -7.514  27.101  15.848  1.00 92.26           C  
+ATOM   4481  CD  ARG B 768      -8.150  28.135  16.767  1.00 92.26           C  
+ATOM   4482  NE  ARG B 768      -7.869  27.853  18.172  1.00 92.26           N  
+ATOM   4483  NH1 ARG B 768      -9.126  29.610  18.990  1.00 92.26           N  
+ATOM   4484  NH2 ARG B 768      -8.021  28.215  20.435  1.00 92.26           N  
+ATOM   4485  CZ  ARG B 768      -8.339  28.560  19.195  1.00 92.26           C  
+ATOM   4486  N   GLU B 769      -3.041  26.015  15.682  1.00 90.57           N  
+ATOM   4487  CA  GLU B 769      -1.649  26.447  15.767  1.00 90.57           C  
+ATOM   4488  C   GLU B 769      -0.752  25.603  14.866  1.00 90.57           C  
+ATOM   4489  CB  GLU B 769      -1.153  26.380  17.214  1.00 90.57           C  
+ATOM   4490  O   GLU B 769       0.291  26.071  14.405  1.00 90.57           O  
+ATOM   4491  CG  GLU B 769      -1.874  27.333  18.156  1.00 90.57           C  
+ATOM   4492  CD  GLU B 769      -1.330  27.300  19.575  1.00 90.57           C  
+ATOM   4493  OE1 GLU B 769      -1.870  28.016  20.449  1.00 90.57           O  
+ATOM   4494  OE2 GLU B 769      -0.355  26.553  19.815  1.00 90.57           O  
+ATOM   4495  N   GLY B 770      -1.084  24.442  14.535  1.00 86.69           N  
+ATOM   4496  CA  GLY B 770      -0.347  23.549  13.655  1.00 86.69           C  
+ATOM   4497  C   GLY B 770       0.912  22.990  14.290  1.00 86.69           C  
+ATOM   4498  O   GLY B 770       1.827  22.556  13.588  1.00 86.69           O  
+ATOM   4499  N   MET B 771       1.032  23.185  15.691  1.00 86.48           N  
+ATOM   4500  CA  MET B 771       2.226  22.686  16.368  1.00 86.48           C  
+ATOM   4501  C   MET B 771       1.863  21.615  17.392  1.00 86.48           C  
+ATOM   4502  CB  MET B 771       2.974  23.831  17.053  1.00 86.48           C  
+ATOM   4503  O   MET B 771       0.762  21.626  17.945  1.00 86.48           O  
+ATOM   4504  CG  MET B 771       3.482  24.893  16.091  1.00 86.48           C  
+ATOM   4505  SD  MET B 771       4.471  26.189  16.933  1.00 86.48           S  
+ATOM   4506  CE  MET B 771       4.992  27.175  15.501  1.00 86.48           C  
+ATOM   4507  N   CYS B 772       2.889  20.745  17.530  1.00 93.50           N  
+ATOM   4508  CA  CYS B 772       2.747  19.735  18.574  1.00 93.50           C  
+ATOM   4509  C   CYS B 772       2.874  20.361  19.958  1.00 93.50           C  
+ATOM   4510  CB  CYS B 772       3.795  18.637  18.403  1.00 93.50           C  
+ATOM   4511  O   CYS B 772       3.863  21.035  20.251  1.00 93.50           O  
+ATOM   4512  SG  CYS B 772       3.723  17.357  19.675  1.00 93.50           S  
+ATOM   4513  N   ARG B 773       1.836  20.054  20.880  1.00 94.84           N  
+ATOM   4514  CA  ARG B 773       1.803  20.651  22.211  1.00 94.84           C  
+ATOM   4515  C   ARG B 773       2.480  19.745  23.234  1.00 94.84           C  
+ATOM   4516  CB  ARG B 773       0.361  20.936  22.637  1.00 94.84           C  
+ATOM   4517  O   ARG B 773       3.186  20.224  24.124  1.00 94.84           O  
+ATOM   4518  CG  ARG B 773      -0.320  22.021  21.818  1.00 94.84           C  
+ATOM   4519  CD  ARG B 773      -0.078  23.405  22.403  1.00 94.84           C  
+ATOM   4520  NE  ARG B 773      -0.848  24.429  21.702  1.00 94.84           N  
+ATOM   4521  NH1 ARG B 773      -0.174  26.166  23.068  1.00 94.84           N  
+ATOM   4522  NH2 ARG B 773      -1.611  26.562  21.328  1.00 94.84           N  
+ATOM   4523  CZ  ARG B 773      -0.876  25.717  22.034  1.00 94.84           C  
+ATOM   4524  N   GLN B 774       2.190  18.484  23.089  1.00 95.32           N  
+ATOM   4525  CA  GLN B 774       2.743  17.505  24.019  1.00 95.32           C  
+ATOM   4526  C   GLN B 774       3.070  16.195  23.309  1.00 95.32           C  
+ATOM   4527  CB  GLN B 774       1.769  17.249  25.171  1.00 95.32           C  
+ATOM   4528  O   GLN B 774       2.426  15.842  22.319  1.00 95.32           O  
+ATOM   4529  CG  GLN B 774       1.509  18.471  26.041  1.00 95.32           C  
+ATOM   4530  CD  GLN B 774       0.501  18.204  27.142  1.00 95.32           C  
+ATOM   4531  NE2 GLN B 774       0.295  19.190  28.009  1.00 95.32           N  
+ATOM   4532  OE1 GLN B 774      -0.088  17.121  27.214  1.00 95.32           O  
+ATOM   4533  N   THR B 775       4.167  15.588  23.788  1.00 95.92           N  
+ATOM   4534  CA  THR B 775       4.537  14.262  23.306  1.00 95.92           C  
+ATOM   4535  C   THR B 775       4.506  13.245  24.443  1.00 95.92           C  
+ATOM   4536  CB  THR B 775       5.936  14.272  22.661  1.00 95.92           C  
+ATOM   4537  O   THR B 775       5.115  13.461  25.493  1.00 95.92           O  
+ATOM   4538  CG2 THR B 775       6.326  12.881  22.173  1.00 95.92           C  
+ATOM   4539  OG1 THR B 775       5.936  15.175  21.548  1.00 95.92           O  
+ATOM   4540  N   PHE B 776       3.694  12.159  24.175  1.00 96.82           N  
+ATOM   4541  CA  PHE B 776       3.557  11.107  25.175  1.00 96.82           C  
+ATOM   4542  C   PHE B 776       4.240   9.826  24.711  1.00 96.82           C  
+ATOM   4543  CB  PHE B 776       2.079  10.836  25.474  1.00 96.82           C  
+ATOM   4544  O   PHE B 776       3.968   9.333  23.615  1.00 96.82           O  
+ATOM   4545  CG  PHE B 776       1.333  12.037  25.987  1.00 96.82           C  
+ATOM   4546  CD1 PHE B 776       1.246  12.289  27.351  1.00 96.82           C  
+ATOM   4547  CD2 PHE B 776       0.718  12.916  25.105  1.00 96.82           C  
+ATOM   4548  CE1 PHE B 776       0.556  13.400  27.829  1.00 96.82           C  
+ATOM   4549  CE2 PHE B 776       0.027  14.029  25.575  1.00 96.82           C  
+ATOM   4550  CZ  PHE B 776      -0.054  14.269  26.937  1.00 96.82           C  
+ATOM   4551  N   THR B 777       5.154   9.322  25.620  1.00 94.29           N  
+ATOM   4552  CA  THR B 777       5.893   8.095  25.345  1.00 94.29           C  
+ATOM   4553  C   THR B 777       5.565   7.023  26.380  1.00 94.29           C  
+ATOM   4554  CB  THR B 777       7.411   8.349  25.327  1.00 94.29           C  
+ATOM   4555  O   THR B 777       4.931   7.308  27.398  1.00 94.29           O  
+ATOM   4556  CG2 THR B 777       7.789   9.354  24.244  1.00 94.29           C  
+ATOM   4557  OG1 THR B 777       7.819   8.862  26.602  1.00 94.29           O  
+ATOM   4558  N   GLY B 778       5.829   5.766  26.117  1.00 92.14           N  
+ATOM   4559  CA  GLY B 778       5.572   4.678  27.047  1.00 92.14           C  
+ATOM   4560  C   GLY B 778       5.431   3.331  26.364  1.00 92.14           C  
+ATOM   4561  O   GLY B 778       5.979   2.331  26.833  1.00 92.14           O  
+ATOM   4562  N   HIS B 779       4.865   3.351  25.219  1.00 97.03           N  
+ATOM   4563  CA  HIS B 779       4.730   2.101  24.481  1.00 97.03           C  
+ATOM   4564  C   HIS B 779       6.071   1.649  23.913  1.00 97.03           C  
+ATOM   4565  CB  HIS B 779       3.706   2.252  23.354  1.00 97.03           C  
+ATOM   4566  O   HIS B 779       6.963   2.469  23.689  1.00 97.03           O  
+ATOM   4567  CG  HIS B 779       2.287   2.156  23.816  1.00 97.03           C  
+ATOM   4568  CD2 HIS B 779       1.293   3.075  23.829  1.00 97.03           C  
+ATOM   4569  ND1 HIS B 779       1.753   1.001  24.345  1.00 97.03           N  
+ATOM   4570  CE1 HIS B 779       0.487   1.215  24.664  1.00 97.03           C  
+ATOM   4571  NE2 HIS B 779       0.183   2.465  24.361  1.00 97.03           N  
+ATOM   4572  N   GLU B 780       6.246   0.345  23.668  1.00 93.96           N  
+ATOM   4573  CA  GLU B 780       7.478  -0.244  23.152  1.00 93.96           C  
+ATOM   4574  C   GLU B 780       7.348  -0.586  21.670  1.00 93.96           C  
+ATOM   4575  CB  GLU B 780       7.851  -1.495  23.950  1.00 93.96           C  
+ATOM   4576  O   GLU B 780       8.286  -1.109  21.064  1.00 93.96           O  
+ATOM   4577  CG  GLU B 780       8.133  -1.225  25.421  1.00 93.96           C  
+ATOM   4578  CD  GLU B 780       8.458  -2.483  26.211  1.00 93.96           C  
+ATOM   4579  OE1 GLU B 780       8.773  -2.378  27.418  1.00 93.96           O  
+ATOM   4580  OE2 GLU B 780       8.397  -3.583  25.617  1.00 93.96           O  
+ATOM   4581  N   SER B 781       6.182  -0.465  21.192  1.00 94.21           N  
+ATOM   4582  CA  SER B 781       5.897  -0.772  19.794  1.00 94.21           C  
+ATOM   4583  C   SER B 781       4.920   0.234  19.195  1.00 94.21           C  
+ATOM   4584  CB  SER B 781       5.332  -2.186  19.659  1.00 94.21           C  
+ATOM   4585  O   SER B 781       4.642   1.273  19.798  1.00 94.21           O  
+ATOM   4586  OG  SER B 781       5.411  -2.634  18.317  1.00 94.21           O  
+ATOM   4587  N   ASP B 782       4.461   0.017  17.941  1.00 97.03           N  
+ATOM   4588  CA  ASP B 782       3.592   0.915  17.187  1.00 97.03           C  
+ATOM   4589  C   ASP B 782       2.272   1.145  17.918  1.00 97.03           C  
+ATOM   4590  CB  ASP B 782       3.328   0.355  15.787  1.00 97.03           C  
+ATOM   4591  O   ASP B 782       1.693   0.210  18.474  1.00 97.03           O  
+ATOM   4592  CG  ASP B 782       4.593   0.201  14.961  1.00 97.03           C  
+ATOM   4593  OD1 ASP B 782       5.671   0.649  15.408  1.00 97.03           O  
+ATOM   4594  OD2 ASP B 782       4.510  -0.371  13.853  1.00 97.03           O  
+ATOM   4595  N   ILE B 783       1.857   2.385  17.956  1.00 98.42           N  
+ATOM   4596  CA  ILE B 783       0.526   2.733  18.442  1.00 98.42           C  
+ATOM   4597  C   ILE B 783      -0.481   2.641  17.298  1.00 98.42           C  
+ATOM   4598  CB  ILE B 783       0.503   4.147  19.064  1.00 98.42           C  
+ATOM   4599  O   ILE B 783      -0.423   3.425  16.347  1.00 98.42           O  
+ATOM   4600  CG1 ILE B 783       1.435   4.210  20.280  1.00 98.42           C  
+ATOM   4601  CG2 ILE B 783      -0.925   4.545  19.447  1.00 98.42           C  
+ATOM   4602  CD1 ILE B 783       1.549   5.596  20.901  1.00 98.42           C  
+ATOM   4603  N   ASN B 784      -1.478   1.725  17.438  1.00 97.68           N  
+ATOM   4604  CA  ASN B 784      -2.415   1.450  16.354  1.00 97.68           C  
+ATOM   4605  C   ASN B 784      -3.738   2.183  16.556  1.00 97.68           C  
+ATOM   4606  CB  ASN B 784      -2.657  -0.055  16.223  1.00 97.68           C  
+ATOM   4607  O   ASN B 784      -4.487   2.395  15.602  1.00 97.68           O  
+ATOM   4608  CG  ASN B 784      -1.395  -0.822  15.880  1.00 97.68           C  
+ATOM   4609  ND2 ASN B 784      -1.169  -1.932  16.573  1.00 97.68           N  
+ATOM   4610  OD1 ASN B 784      -0.629  -0.420  15.000  1.00 97.68           O  
+ATOM   4611  N   ALA B 785      -4.101   2.467  17.811  1.00 97.94           N  
+ATOM   4612  CA  ALA B 785      -5.399   3.062  18.118  1.00 97.94           C  
+ATOM   4613  C   ALA B 785      -5.285   4.068  19.259  1.00 97.94           C  
+ATOM   4614  CB  ALA B 785      -6.412   1.976  18.470  1.00 97.94           C  
+ATOM   4615  O   ALA B 785      -4.523   3.858  20.207  1.00 97.94           O  
+ATOM   4616  N   ILE B 786      -6.027   5.122  19.080  1.00 98.32           N  
+ATOM   4617  CA  ILE B 786      -6.043   6.169  20.096  1.00 98.32           C  
+ATOM   4618  C   ILE B 786      -7.457   6.726  20.241  1.00 98.32           C  
+ATOM   4619  CB  ILE B 786      -5.052   7.304  19.752  1.00 98.32           C  
+ATOM   4620  O   ILE B 786      -8.199   6.817  19.260  1.00 98.32           O  
+ATOM   4621  CG1 ILE B 786      -4.877   8.241  20.952  1.00 98.32           C  
+ATOM   4622  CG2 ILE B 786      -5.525   8.078  18.518  1.00 98.32           C  
+ATOM   4623  CD1 ILE B 786      -3.653   9.142  20.861  1.00 98.32           C  
+ATOM   4624  N   CYS B 787      -7.854   7.021  21.537  1.00 98.07           N  
+ATOM   4625  CA  CYS B 787      -9.195   7.546  21.771  1.00 98.07           C  
+ATOM   4626  C   CYS B 787      -9.205   8.506  22.954  1.00 98.07           C  
+ATOM   4627  CB  CYS B 787     -10.181   6.405  22.019  1.00 98.07           C  
+ATOM   4628  O   CYS B 787      -8.688   8.184  24.025  1.00 98.07           O  
+ATOM   4629  SG  CYS B 787     -11.882   6.956  22.273  1.00 98.07           S  
+ATOM   4630  N   PHE B 788      -9.778   9.651  22.717  1.00 98.22           N  
+ATOM   4631  CA  PHE B 788      -9.921  10.615  23.802  1.00 98.22           C  
+ATOM   4632  C   PHE B 788     -10.893  10.101  24.857  1.00 98.22           C  
+ATOM   4633  CB  PHE B 788     -10.399  11.966  23.262  1.00 98.22           C  
+ATOM   4634  O   PHE B 788     -11.883   9.443  24.530  1.00 98.22           O  
+ATOM   4635  CG  PHE B 788      -9.290  12.958  23.040  1.00 98.22           C  
+ATOM   4636  CD1 PHE B 788      -8.708  13.623  24.113  1.00 98.22           C  
+ATOM   4637  CD2 PHE B 788      -8.827  13.225  21.758  1.00 98.22           C  
+ATOM   4638  CE1 PHE B 788      -7.681  14.542  23.910  1.00 98.22           C  
+ATOM   4639  CE2 PHE B 788      -7.801  14.142  21.548  1.00 98.22           C  
+ATOM   4640  CZ  PHE B 788      -7.230  14.800  22.625  1.00 98.22           C  
+ATOM   4641  N   PHE B 789     -10.528  10.444  26.039  1.00 97.62           N  
+ATOM   4642  CA  PHE B 789     -11.461  10.258  27.144  1.00 97.62           C  
+ATOM   4643  C   PHE B 789     -12.660  11.188  27.002  1.00 97.62           C  
+ATOM   4644  CB  PHE B 789     -10.763  10.502  28.485  1.00 97.62           C  
+ATOM   4645  O   PHE B 789     -12.540  12.284  26.452  1.00 97.62           O  
+ATOM   4646  CG  PHE B 789     -11.428   9.818  29.649  1.00 97.62           C  
+ATOM   4647  CD1 PHE B 789     -12.242  10.532  30.520  1.00 97.62           C  
+ATOM   4648  CD2 PHE B 789     -11.239   8.460  29.872  1.00 97.62           C  
+ATOM   4649  CE1 PHE B 789     -12.859   9.901  31.598  1.00 97.62           C  
+ATOM   4650  CE2 PHE B 789     -11.852   7.823  30.947  1.00 97.62           C  
+ATOM   4651  CZ  PHE B 789     -12.661   8.546  31.809  1.00 97.62           C  
+ATOM   4652  N   PRO B 790     -13.876  10.779  27.494  1.00 96.98           N  
+ATOM   4653  CA  PRO B 790     -15.114  11.521  27.244  1.00 96.98           C  
+ATOM   4654  C   PRO B 790     -15.035  12.973  27.710  1.00 96.98           C  
+ATOM   4655  CB  PRO B 790     -16.158  10.745  28.050  1.00 96.98           C  
+ATOM   4656  O   PRO B 790     -15.573  13.867  27.051  1.00 96.98           O  
+ATOM   4657  CG  PRO B 790     -15.687   9.327  28.021  1.00 96.98           C  
+ATOM   4658  CD  PRO B 790     -14.190   9.320  28.131  1.00 96.98           C  
+ATOM   4659  N   ASN B 791     -14.291  13.274  28.712  1.00 95.40           N  
+ATOM   4660  CA  ASN B 791     -14.255  14.650  29.195  1.00 95.40           C  
+ATOM   4661  C   ASN B 791     -13.155  15.456  28.511  1.00 95.40           C  
+ATOM   4662  CB  ASN B 791     -14.070  14.681  30.713  1.00 95.40           C  
+ATOM   4663  O   ASN B 791     -12.983  16.643  28.792  1.00 95.40           O  
+ATOM   4664  CG  ASN B 791     -12.746  14.088  31.153  1.00 95.40           C  
+ATOM   4665  ND2 ASN B 791     -12.594  13.877  32.455  1.00 95.40           N  
+ATOM   4666  OD1 ASN B 791     -11.867  13.823  30.329  1.00 95.40           O  
+ATOM   4667  N   GLY B 792     -12.302  14.770  27.749  1.00 96.82           N  
+ATOM   4668  CA  GLY B 792     -11.319  15.455  26.926  1.00 96.82           C  
+ATOM   4669  C   GLY B 792     -10.020  15.736  27.657  1.00 96.82           C  
+ATOM   4670  O   GLY B 792      -9.137  16.415  27.128  1.00 96.82           O  
+ATOM   4671  N   ASN B 793      -9.853  15.247  28.830  1.00 96.75           N  
+ATOM   4672  CA  ASN B 793      -8.678  15.564  29.635  1.00 96.75           C  
+ATOM   4673  C   ASN B 793      -7.674  14.415  29.637  1.00 96.75           C  
+ATOM   4674  CB  ASN B 793      -9.086  15.916  31.067  1.00 96.75           C  
+ATOM   4675  O   ASN B 793      -6.590  14.533  30.213  1.00 96.75           O  
+ATOM   4676  CG  ASN B 793      -9.827  17.235  31.156  1.00 96.75           C  
+ATOM   4677  ND2 ASN B 793     -10.727  17.346  32.126  1.00 96.75           N  
+ATOM   4678  OD1 ASN B 793      -9.593  18.148  30.359  1.00 96.75           O  
+ATOM   4679  N   ALA B 794      -8.051  13.327  29.086  1.00 97.74           N  
+ATOM   4680  CA  ALA B 794      -7.202  12.142  28.996  1.00 97.74           C  
+ATOM   4681  C   ALA B 794      -7.465  11.375  27.703  1.00 97.74           C  
+ATOM   4682  CB  ALA B 794      -7.425  11.234  30.204  1.00 97.74           C  
+ATOM   4683  O   ALA B 794      -8.401  11.693  26.965  1.00 97.74           O  
+ATOM   4684  N   PHE B 795      -6.596  10.464  27.479  1.00 98.50           N  
+ATOM   4685  CA  PHE B 795      -6.799   9.610  26.315  1.00 98.50           C  
+ATOM   4686  C   PHE B 795      -6.134   8.253  26.516  1.00 98.50           C  
+ATOM   4687  CB  PHE B 795      -6.250  10.281  25.052  1.00 98.50           C  
+ATOM   4688  O   PHE B 795      -5.268   8.102  27.380  1.00 98.50           O  
+ATOM   4689  CG  PHE B 795      -4.772  10.560  25.106  1.00 98.50           C  
+ATOM   4690  CD1 PHE B 795      -4.295  11.758  25.623  1.00 98.50           C  
+ATOM   4691  CD2 PHE B 795      -3.859   9.623  24.640  1.00 98.50           C  
+ATOM   4692  CE1 PHE B 795      -2.928  12.019  25.674  1.00 98.50           C  
+ATOM   4693  CE2 PHE B 795      -2.491   9.876  24.688  1.00 98.50           C  
+ATOM   4694  CZ  PHE B 795      -2.028  11.075  25.205  1.00 98.50           C  
+ATOM   4695  N   ALA B 796      -6.646   7.269  25.745  1.00 98.56           N  
+ATOM   4696  CA  ALA B 796      -6.080   5.924  25.810  1.00 98.56           C  
+ATOM   4697  C   ALA B 796      -5.456   5.526  24.476  1.00 98.56           C  
+ATOM   4698  CB  ALA B 796      -7.152   4.915  26.215  1.00 98.56           C  
+ATOM   4699  O   ALA B 796      -5.887   5.992  23.418  1.00 98.56           O  
+ATOM   4700  N   THR B 797      -4.449   4.676  24.625  1.00 98.72           N  
+ATOM   4701  CA  THR B 797      -3.770   4.167  23.438  1.00 98.72           C  
+ATOM   4702  C   THR B 797      -3.757   2.641  23.435  1.00 98.72           C  
+ATOM   4703  CB  THR B 797      -2.326   4.696  23.351  1.00 98.72           C  
+ATOM   4704  O   THR B 797      -3.739   2.013  24.495  1.00 98.72           O  
+ATOM   4705  CG2 THR B 797      -2.302   6.218  23.269  1.00 98.72           C  
+ATOM   4706  OG1 THR B 797      -1.600   4.279  24.514  1.00 98.72           O  
+ATOM   4707  N   GLY B 798      -3.825   2.043  22.262  1.00 98.32           N  
+ATOM   4708  CA  GLY B 798      -3.605   0.629  22.006  1.00 98.32           C  
+ATOM   4709  C   GLY B 798      -2.422   0.365  21.094  1.00 98.32           C  
+ATOM   4710  O   GLY B 798      -2.327   0.942  20.009  1.00 98.32           O  
+ATOM   4711  N   SER B 799      -1.598  -0.624  21.421  1.00 98.18           N  
+ATOM   4712  CA  SER B 799      -0.317  -0.777  20.739  1.00 98.18           C  
+ATOM   4713  C   SER B 799      -0.050  -2.236  20.385  1.00 98.18           C  
+ATOM   4714  CB  SER B 799       0.821  -0.238  21.607  1.00 98.18           C  
+ATOM   4715  O   SER B 799      -0.700  -3.139  20.916  1.00 98.18           O  
+ATOM   4716  OG  SER B 799       2.080  -0.544  21.033  1.00 98.18           O  
+ATOM   4717  N   ASP B 800       0.998  -2.424  19.512  1.00 95.43           N  
+ATOM   4718  CA  ASP B 800       1.458  -3.755  19.130  1.00 95.43           C  
+ATOM   4719  C   ASP B 800       2.184  -4.438  20.287  1.00 95.43           C  
+ATOM   4720  CB  ASP B 800       2.376  -3.675  17.908  1.00 95.43           C  
+ATOM   4721  O   ASP B 800       2.498  -5.628  20.213  1.00 95.43           O  
+ATOM   4722  CG  ASP B 800       1.615  -3.487  16.607  1.00 95.43           C  
+ATOM   4723  OD1 ASP B 800       0.384  -3.701  16.584  1.00 95.43           O  
+ATOM   4724  OD2 ASP B 800       2.253  -3.124  15.595  1.00 95.43           O  
+ATOM   4725  N   ASP B 801       2.406  -3.745  21.301  1.00 94.64           N  
+ATOM   4726  CA  ASP B 801       3.048  -4.345  22.466  1.00 94.64           C  
+ATOM   4727  C   ASP B 801       2.021  -5.020  23.373  1.00 94.64           C  
+ATOM   4728  CB  ASP B 801       3.830  -3.290  23.251  1.00 94.64           C  
+ATOM   4729  O   ASP B 801       2.330  -5.376  24.512  1.00 94.64           O  
+ATOM   4730  CG  ASP B 801       2.938  -2.224  23.862  1.00 94.64           C  
+ATOM   4731  OD1 ASP B 801       1.698  -2.372  23.826  1.00 94.64           O  
+ATOM   4732  OD2 ASP B 801       3.481  -1.225  24.382  1.00 94.64           O  
+ATOM   4733  N   ALA B 802       0.838  -5.093  22.948  1.00 94.38           N  
+ATOM   4734  CA  ALA B 802      -0.266  -5.838  23.548  1.00 94.38           C  
+ATOM   4735  C   ALA B 802      -0.806  -5.121  24.781  1.00 94.38           C  
+ATOM   4736  CB  ALA B 802       0.182  -7.252  23.912  1.00 94.38           C  
+ATOM   4737  O   ALA B 802      -1.400  -5.748  25.661  1.00 94.38           O  
+ATOM   4738  N   THR B 803      -0.562  -3.795  24.914  1.00 97.70           N  
+ATOM   4739  CA  THR B 803      -1.044  -3.047  26.069  1.00 97.70           C  
+ATOM   4740  C   THR B 803      -1.838  -1.821  25.627  1.00 97.70           C  
+ATOM   4741  CB  THR B 803       0.120  -2.608  26.976  1.00 97.70           C  
+ATOM   4742  O   THR B 803      -1.623  -1.297  24.532  1.00 97.70           O  
+ATOM   4743  CG2 THR B 803       0.971  -3.802  27.396  1.00 97.70           C  
+ATOM   4744  OG1 THR B 803       0.944  -1.674  26.268  1.00 97.70           O  
+ATOM   4745  N   CYS B 804      -2.887  -1.496  26.484  1.00 98.20           N  
+ATOM   4746  CA  CYS B 804      -3.471  -0.160  26.464  1.00 98.20           C  
+ATOM   4747  C   CYS B 804      -2.840   0.727  27.530  1.00 98.20           C  
+ATOM   4748  CB  CYS B 804      -4.982  -0.232  26.677  1.00 98.20           C  
+ATOM   4749  O   CYS B 804      -2.464   0.247  28.601  1.00 98.20           O  
+ATOM   4750  SG  CYS B 804      -5.861  -1.112  25.366  1.00 98.20           S  
+ATOM   4751  N   ARG B 805      -2.743   1.979  27.155  1.00 98.33           N  
+ATOM   4752  CA  ARG B 805      -2.237   2.924  28.145  1.00 98.33           C  
+ATOM   4753  C   ARG B 805      -3.140   4.148  28.245  1.00 98.33           C  
+ATOM   4754  CB  ARG B 805      -0.809   3.353  27.798  1.00 98.33           C  
+ATOM   4755  O   ARG B 805      -3.651   4.634  27.234  1.00 98.33           O  
+ATOM   4756  CG  ARG B 805       0.211   2.229  27.887  1.00 98.33           C  
+ATOM   4757  CD  ARG B 805       1.629   2.736  27.665  1.00 98.33           C  
+ATOM   4758  NE  ARG B 805       2.612   1.664  27.801  1.00 98.33           N  
+ATOM   4759  NH1 ARG B 805       4.225   2.989  28.790  1.00 98.33           N  
+ATOM   4760  NH2 ARG B 805       4.637   0.767  28.407  1.00 98.33           N  
+ATOM   4761  CZ  ARG B 805       3.822   1.809  28.332  1.00 98.33           C  
+ATOM   4762  N   LEU B 806      -3.285   4.590  29.507  1.00 98.24           N  
+ATOM   4763  CA  LEU B 806      -4.070   5.786  29.796  1.00 98.24           C  
+ATOM   4764  C   LEU B 806      -3.163   6.958  30.154  1.00 98.24           C  
+ATOM   4765  CB  LEU B 806      -5.052   5.518  30.940  1.00 98.24           C  
+ATOM   4766  O   LEU B 806      -2.360   6.866  31.085  1.00 98.24           O  
+ATOM   4767  CG  LEU B 806      -5.976   6.675  31.325  1.00 98.24           C  
+ATOM   4768  CD1 LEU B 806      -6.909   7.015  30.167  1.00 98.24           C  
+ATOM   4769  CD2 LEU B 806      -6.774   6.328  32.577  1.00 98.24           C  
+ATOM   4770  N   PHE B 807      -3.357   8.044  29.385  1.00 97.57           N  
+ATOM   4771  CA  PHE B 807      -2.565   9.252  29.590  1.00 97.57           C  
+ATOM   4772  C   PHE B 807      -3.457  10.423  29.984  1.00 97.57           C  
+ATOM   4773  CB  PHE B 807      -1.772   9.598  28.326  1.00 97.57           C  
+ATOM   4774  O   PHE B 807      -4.597  10.524  29.525  1.00 97.57           O  
+ATOM   4775  CG  PHE B 807      -0.794   8.531  27.912  1.00 97.57           C  
+ATOM   4776  CD1 PHE B 807       0.509   8.540  28.393  1.00 97.57           C  
+ATOM   4777  CD2 PHE B 807      -1.179   7.520  27.042  1.00 97.57           C  
+ATOM   4778  CE1 PHE B 807       1.417   7.554  28.011  1.00 97.57           C  
+ATOM   4779  CE2 PHE B 807      -0.278   6.531  26.656  1.00 97.57           C  
+ATOM   4780  CZ  PHE B 807       1.020   6.551  27.141  1.00 97.57           C  
+ATOM   4781  N   ASP B 808      -2.922  11.269  30.781  1.00 95.38           N  
+ATOM   4782  CA  ASP B 808      -3.623  12.482  31.191  1.00 95.38           C  
+ATOM   4783  C   ASP B 808      -2.915  13.729  30.666  1.00 95.38           C  
+ATOM   4784  CB  ASP B 808      -3.740  12.546  32.715  1.00 95.38           C  
+ATOM   4785  O   ASP B 808      -1.694  13.850  30.780  1.00 95.38           O  
+ATOM   4786  CG  ASP B 808      -4.627  13.682  33.195  1.00 95.38           C  
+ATOM   4787  OD1 ASP B 808      -4.117  14.800  33.421  1.00 95.38           O  
+ATOM   4788  OD2 ASP B 808      -5.846  13.455  33.351  1.00 95.38           O  
+ATOM   4789  N   LEU B 809      -3.721  14.668  30.154  1.00 95.80           N  
+ATOM   4790  CA  LEU B 809      -3.150  15.869  29.554  1.00 95.80           C  
+ATOM   4791  C   LEU B 809      -2.630  16.819  30.627  1.00 95.80           C  
+ATOM   4792  CB  LEU B 809      -4.191  16.582  28.687  1.00 95.80           C  
+ATOM   4793  O   LEU B 809      -1.565  17.421  30.467  1.00 95.80           O  
+ATOM   4794  CG  LEU B 809      -4.763  15.779  27.517  1.00 95.80           C  
+ATOM   4795  CD1 LEU B 809      -5.732  16.636  26.710  1.00 95.80           C  
+ATOM   4796  CD2 LEU B 809      -3.640  15.254  26.629  1.00 95.80           C  
+ATOM   4797  N   ARG B 810      -3.220  16.848  31.720  1.00 92.81           N  
+ATOM   4798  CA  ARG B 810      -2.884  17.806  32.768  1.00 92.81           C  
+ATOM   4799  C   ARG B 810      -1.665  17.346  33.561  1.00 92.81           C  
+ATOM   4800  CB  ARG B 810      -4.073  18.014  33.709  1.00 92.81           C  
+ATOM   4801  O   ARG B 810      -0.808  18.156  33.918  1.00 92.81           O  
+ATOM   4802  CG  ARG B 810      -5.324  18.529  33.016  1.00 92.81           C  
+ATOM   4803  CD  ARG B 810      -6.542  18.462  33.927  1.00 92.81           C  
+ATOM   4804  NE  ARG B 810      -6.852  17.089  34.313  1.00 92.81           N  
+ATOM   4805  NH1 ARG B 810      -8.622  17.655  35.685  1.00 92.81           N  
+ATOM   4806  NH2 ARG B 810      -8.027  15.457  35.422  1.00 92.81           N  
+ATOM   4807  CZ  ARG B 810      -7.833  16.737  35.139  1.00 92.81           C  
+ATOM   4808  N   ALA B 811      -1.687  16.087  33.739  1.00 89.43           N  
+ATOM   4809  CA  ALA B 811      -0.578  15.508  34.493  1.00 89.43           C  
+ATOM   4810  C   ALA B 811       0.639  15.292  33.599  1.00 89.43           C  
+ATOM   4811  CB  ALA B 811      -1.002  14.191  35.138  1.00 89.43           C  
+ATOM   4812  O   ALA B 811       1.745  15.057  34.091  1.00 89.43           O  
+ATOM   4813  N   ASP B 812       0.424  15.426  32.321  1.00 89.66           N  
+ATOM   4814  CA  ASP B 812       1.459  15.213  31.314  1.00 89.66           C  
+ATOM   4815  C   ASP B 812       2.196  13.897  31.554  1.00 89.66           C  
+ATOM   4816  CB  ASP B 812       2.451  16.378  31.310  1.00 89.66           C  
+ATOM   4817  O   ASP B 812       3.428  13.860  31.550  1.00 89.66           O  
+ATOM   4818  CG  ASP B 812       3.293  16.435  30.047  1.00 89.66           C  
+ATOM   4819  OD1 ASP B 812       2.838  15.950  28.988  1.00 89.66           O  
+ATOM   4820  OD2 ASP B 812       4.422  16.968  30.112  1.00 89.66           O  
+ATOM   4821  N   GLN B 813       1.492  12.808  31.851  1.00 90.22           N  
+ATOM   4822  CA  GLN B 813       2.115  11.513  32.108  1.00 90.22           C  
+ATOM   4823  C   GLN B 813       1.128  10.373  31.877  1.00 90.22           C  
+ATOM   4824  CB  GLN B 813       2.662  11.454  33.535  1.00 90.22           C  
+ATOM   4825  O   GLN B 813      -0.079  10.601  31.771  1.00 90.22           O  
+ATOM   4826  CG  GLN B 813       1.583  11.497  34.609  1.00 90.22           C  
+ATOM   4827  CD  GLN B 813       2.155  11.512  36.014  1.00 90.22           C  
+ATOM   4828  NE2 GLN B 813       1.422  12.113  36.946  1.00 90.22           N  
+ATOM   4829  OE1 GLN B 813       3.245  10.987  36.261  1.00 90.22           O  
+ATOM   4830  N   GLU B 814       1.719   9.186  31.840  1.00 93.53           N  
+ATOM   4831  CA  GLU B 814       0.940   7.952  31.809  1.00 93.53           C  
+ATOM   4832  C   GLU B 814       0.334   7.647  33.176  1.00 93.53           C  
+ATOM   4833  CB  GLU B 814       1.808   6.779  31.345  1.00 93.53           C  
+ATOM   4834  O   GLU B 814       1.024   7.716  34.196  1.00 93.53           O  
+ATOM   4835  CG  GLU B 814       1.088   5.438  31.357  1.00 93.53           C  
+ATOM   4836  CD  GLU B 814       2.001   4.265  31.038  1.00 93.53           C  
+ATOM   4837  OE1 GLU B 814       1.832   3.183  31.644  1.00 93.53           O  
+ATOM   4838  OE2 GLU B 814       2.891   4.429  30.174  1.00 93.53           O  
+ATOM   4839  N   LEU B 815      -1.022   7.305  33.219  1.00 94.34           N  
+ATOM   4840  CA  LEU B 815      -1.707   7.064  34.484  1.00 94.34           C  
+ATOM   4841  C   LEU B 815      -1.811   5.570  34.770  1.00 94.34           C  
+ATOM   4842  CB  LEU B 815      -3.104   7.690  34.466  1.00 94.34           C  
+ATOM   4843  O   LEU B 815      -1.684   5.143  35.920  1.00 94.34           O  
+ATOM   4844  CG  LEU B 815      -3.162   9.214  34.345  1.00 94.34           C  
+ATOM   4845  CD1 LEU B 815      -4.607   9.696  34.415  1.00 94.34           C  
+ATOM   4846  CD2 LEU B 815      -2.320   9.870  35.434  1.00 94.34           C  
+ATOM   4847  N   MET B 816      -2.012   4.793  33.698  1.00 96.07           N  
+ATOM   4848  CA  MET B 816      -2.316   3.382  33.921  1.00 96.07           C  
+ATOM   4849  C   MET B 816      -2.009   2.556  32.677  1.00 96.07           C  
+ATOM   4850  CB  MET B 816      -3.782   3.203  34.320  1.00 96.07           C  
+ATOM   4851  O   MET B 816      -2.062   3.069  31.557  1.00 96.07           O  
+ATOM   4852  CG  MET B 816      -4.106   1.820  34.860  1.00 96.07           C  
+ATOM   4853  SD  MET B 816      -5.593   1.816  35.935  1.00 96.07           S  
+ATOM   4854  CE  MET B 816      -4.911   2.590  37.428  1.00 96.07           C  
+ATOM   4855  N   THR B 817      -1.591   1.264  32.959  1.00 97.33           N  
+ATOM   4856  CA  THR B 817      -1.372   0.282  31.903  1.00 97.33           C  
+ATOM   4857  C   THR B 817      -2.334  -0.894  32.051  1.00 97.33           C  
+ATOM   4858  CB  THR B 817       0.079  -0.234  31.911  1.00 97.33           C  
+ATOM   4859  O   THR B 817      -2.505  -1.429  33.149  1.00 97.33           O  
+ATOM   4860  CG2 THR B 817       0.323  -1.208  30.764  1.00 97.33           C  
+ATOM   4861  OG1 THR B 817       0.975   0.877  31.779  1.00 97.33           O  
+ATOM   4862  N   TYR B 818      -2.983  -1.197  30.905  1.00 97.66           N  
+ATOM   4863  CA  TYR B 818      -3.912  -2.320  30.866  1.00 97.66           C  
+ATOM   4864  C   TYR B 818      -3.322  -3.489  30.086  1.00 97.66           C  
+ATOM   4865  CB  TYR B 818      -5.244  -1.894  30.239  1.00 97.66           C  
+ATOM   4866  O   TYR B 818      -3.097  -3.387  28.878  1.00 97.66           O  
+ATOM   4867  CG  TYR B 818      -5.807  -0.619  30.819  1.00 97.66           C  
+ATOM   4868  CD1 TYR B 818      -6.753  -0.654  31.841  1.00 97.66           C  
+ATOM   4869  CD2 TYR B 818      -5.395   0.622  30.346  1.00 97.66           C  
+ATOM   4870  CE1 TYR B 818      -7.276   0.518  32.377  1.00 97.66           C  
+ATOM   4871  CE2 TYR B 818      -5.911   1.801  30.874  1.00 97.66           C  
+ATOM   4872  OH  TYR B 818      -7.364   2.902  32.415  1.00 97.66           O  
+ATOM   4873  CZ  TYR B 818      -6.849   1.739  31.888  1.00 97.66           C  
+ATOM   4874  N   SER B 819      -3.069  -4.619  30.827  1.00 96.16           N  
+ATOM   4875  CA  SER B 819      -2.456  -5.799  30.225  1.00 96.16           C  
+ATOM   4876  C   SER B 819      -2.925  -7.077  30.912  1.00 96.16           C  
+ATOM   4877  CB  SER B 819      -0.932  -5.704  30.290  1.00 96.16           C  
+ATOM   4878  O   SER B 819      -3.483  -7.029  32.010  1.00 96.16           O  
+ATOM   4879  OG  SER B 819      -0.483  -5.733  31.635  1.00 96.16           O  
+ATOM   4880  N   HIS B 820      -2.865  -8.129  30.163  1.00 92.02           N  
+ATOM   4881  CA  HIS B 820      -3.171  -9.464  30.665  1.00 92.02           C  
+ATOM   4882  C   HIS B 820      -2.153 -10.485  30.172  1.00 92.02           C  
+ATOM   4883  CB  HIS B 820      -4.581  -9.883  30.246  1.00 92.02           C  
+ATOM   4884  O   HIS B 820      -1.660 -10.383  29.046  1.00 92.02           O  
+ATOM   4885  CG  HIS B 820      -5.127 -11.030  31.037  1.00 92.02           C  
+ATOM   4886  CD2 HIS B 820      -6.036 -11.065  32.039  1.00 92.02           C  
+ATOM   4887  ND1 HIS B 820      -4.730 -12.333  30.829  1.00 92.02           N  
+ATOM   4888  CE1 HIS B 820      -5.375 -13.123  31.671  1.00 92.02           C  
+ATOM   4889  NE2 HIS B 820      -6.174 -12.378  32.416  1.00 92.02           N  
+ATOM   4890  N   ASP B 821      -1.768 -11.499  31.079  1.00 88.66           N  
+ATOM   4891  CA  ASP B 821      -0.717 -12.475  30.812  1.00 88.66           C  
+ATOM   4892  C   ASP B 821      -1.058 -13.331  29.595  1.00 88.66           C  
+ATOM   4893  CB  ASP B 821      -0.489 -13.366  32.035  1.00 88.66           C  
+ATOM   4894  O   ASP B 821      -0.164 -13.785  28.878  1.00 88.66           O  
+ATOM   4895  CG  ASP B 821       0.186 -12.637  33.183  1.00 88.66           C  
+ATOM   4896  OD1 ASP B 821       0.807 -11.577  32.951  1.00 88.66           O  
+ATOM   4897  OD2 ASP B 821       0.100 -13.128  34.329  1.00 88.66           O  
+ATOM   4898  N   ASN B 822      -2.297 -13.431  29.286  1.00 88.26           N  
+ATOM   4899  CA  ASN B 822      -2.720 -14.318  28.208  1.00 88.26           C  
+ATOM   4900  C   ASN B 822      -2.946 -13.552  26.907  1.00 88.26           C  
+ATOM   4901  CB  ASN B 822      -3.988 -15.077  28.604  1.00 88.26           C  
+ATOM   4902  O   ASN B 822      -3.238 -14.152  25.871  1.00 88.26           O  
+ATOM   4903  CG  ASN B 822      -3.750 -16.066  29.728  1.00 88.26           C  
+ATOM   4904  ND2 ASN B 822      -4.776 -16.302  30.538  1.00 88.26           N  
+ATOM   4905  OD1 ASN B 822      -2.653 -16.612  29.869  1.00 88.26           O  
+ATOM   4906  N   ILE B 823      -2.801 -12.292  26.973  1.00 88.75           N  
+ATOM   4907  CA  ILE B 823      -2.976 -11.474  25.778  1.00 88.75           C  
+ATOM   4908  C   ILE B 823      -1.614 -11.022  25.256  1.00 88.75           C  
+ATOM   4909  CB  ILE B 823      -3.876 -10.249  26.058  1.00 88.75           C  
+ATOM   4910  O   ILE B 823      -0.946 -10.196  25.882  1.00 88.75           O  
+ATOM   4911  CG1 ILE B 823      -5.244 -10.700  26.581  1.00 88.75           C  
+ATOM   4912  CG2 ILE B 823      -4.026  -9.390  24.799  1.00 88.75           C  
+ATOM   4913  CD1 ILE B 823      -6.139  -9.557  27.041  1.00 88.75           C  
+ATOM   4914  N   ILE B 824      -1.260 -11.589  24.082  1.00 88.44           N  
+ATOM   4915  CA  ILE B 824       0.070 -11.275  23.572  1.00 88.44           C  
+ATOM   4916  C   ILE B 824      -0.044 -10.646  22.185  1.00 88.44           C  
+ATOM   4917  CB  ILE B 824       0.966 -12.533  23.517  1.00 88.44           C  
+ATOM   4918  O   ILE B 824       0.966 -10.310  21.563  1.00 88.44           O  
+ATOM   4919  CG1 ILE B 824       0.266 -13.654  22.742  1.00 88.44           C  
+ATOM   4920  CG2 ILE B 824       1.338 -12.993  24.930  1.00 88.44           C  
+ATOM   4921  CD1 ILE B 824       1.164 -14.843  22.426  1.00 88.44           C  
+ATOM   4922  N   CYS B 825      -1.216 -10.486  21.750  1.00 89.57           N  
+ATOM   4923  CA  CYS B 825      -1.449  -9.952  20.412  1.00 89.57           C  
+ATOM   4924  C   CYS B 825      -1.647  -8.442  20.454  1.00 89.57           C  
+ATOM   4925  CB  CYS B 825      -2.667 -10.619  19.774  1.00 89.57           C  
+ATOM   4926  O   CYS B 825      -2.003  -7.887  21.495  1.00 89.57           O  
+ATOM   4927  SG  CYS B 825      -2.543 -12.418  19.672  1.00 89.57           S  
+ATOM   4928  N   GLY B 826      -1.367  -7.784  19.335  1.00 92.27           N  
+ATOM   4929  CA  GLY B 826      -1.469  -6.338  19.215  1.00 92.27           C  
+ATOM   4930  C   GLY B 826      -2.898  -5.834  19.271  1.00 92.27           C  
+ATOM   4931  O   GLY B 826      -3.834  -6.565  18.939  1.00 92.27           O  
+ATOM   4932  N   ILE B 827      -3.063  -4.646  19.733  1.00 97.28           N  
+ATOM   4933  CA  ILE B 827      -4.348  -3.966  19.851  1.00 97.28           C  
+ATOM   4934  C   ILE B 827      -4.645  -3.197  18.566  1.00 97.28           C  
+ATOM   4935  CB  ILE B 827      -4.373  -3.010  21.065  1.00 97.28           C  
+ATOM   4936  O   ILE B 827      -3.786  -2.477  18.053  1.00 97.28           O  
+ATOM   4937  CG1 ILE B 827      -4.136  -3.789  22.364  1.00 97.28           C  
+ATOM   4938  CG2 ILE B 827      -5.696  -2.242  21.121  1.00 97.28           C  
+ATOM   4939  CD1 ILE B 827      -3.802  -2.910  23.561  1.00 97.28           C  
+ATOM   4940  N   THR B 828      -5.895  -3.328  18.103  1.00 96.93           N  
+ATOM   4941  CA  THR B 828      -6.215  -2.737  16.809  1.00 96.93           C  
+ATOM   4942  C   THR B 828      -7.191  -1.575  16.972  1.00 96.93           C  
+ATOM   4943  CB  THR B 828      -6.812  -3.782  15.849  1.00 96.93           C  
+ATOM   4944  O   THR B 828      -7.300  -0.721  16.089  1.00 96.93           O  
+ATOM   4945  CG2 THR B 828      -5.800  -4.877  15.529  1.00 96.93           C  
+ATOM   4946  OG1 THR B 828      -7.966  -4.376  16.457  1.00 96.93           O  
+ATOM   4947  N   SER B 829      -7.965  -1.537  18.029  1.00 97.77           N  
+ATOM   4948  CA  SER B 829      -8.953  -0.485  18.245  1.00 97.77           C  
+ATOM   4949  C   SER B 829      -9.247  -0.298  19.729  1.00 97.77           C  
+ATOM   4950  CB  SER B 829     -10.248  -0.803  17.496  1.00 97.77           C  
+ATOM   4951  O   SER B 829      -9.120  -1.239  20.516  1.00 97.77           O  
+ATOM   4952  OG  SER B 829     -10.786  -2.042  17.926  1.00 97.77           O  
+ATOM   4953  N   VAL B 830      -9.560   0.968  20.098  1.00 98.30           N  
+ATOM   4954  CA  VAL B 830      -9.883   1.284  21.485  1.00 98.30           C  
+ATOM   4955  C   VAL B 830     -11.060   2.256  21.533  1.00 98.30           C  
+ATOM   4956  CB  VAL B 830      -8.667   1.882  22.229  1.00 98.30           C  
+ATOM   4957  O   VAL B 830     -11.244   3.063  20.620  1.00 98.30           O  
+ATOM   4958  CG1 VAL B 830      -7.549   0.850  22.353  1.00 98.30           C  
+ATOM   4959  CG2 VAL B 830      -8.166   3.134  21.510  1.00 98.30           C  
+ATOM   4960  N   SER B 831     -11.917   2.122  22.550  1.00 98.17           N  
+ATOM   4961  CA  SER B 831     -13.025   3.041  22.790  1.00 98.17           C  
+ATOM   4962  C   SER B 831     -13.425   3.052  24.261  1.00 98.17           C  
+ATOM   4963  CB  SER B 831     -14.231   2.663  21.928  1.00 98.17           C  
+ATOM   4964  O   SER B 831     -13.241   2.059  24.968  1.00 98.17           O  
+ATOM   4965  OG  SER B 831     -15.202   3.695  21.941  1.00 98.17           O  
+ATOM   4966  N   PHE B 832     -13.893   4.189  24.705  1.00 98.18           N  
+ATOM   4967  CA  PHE B 832     -14.392   4.307  26.070  1.00 98.18           C  
+ATOM   4968  C   PHE B 832     -15.914   4.222  26.100  1.00 98.18           C  
+ATOM   4969  CB  PHE B 832     -13.927   5.622  26.703  1.00 98.18           C  
+ATOM   4970  O   PHE B 832     -16.582   4.630  25.147  1.00 98.18           O  
+ATOM   4971  CG  PHE B 832     -12.513   5.582  27.215  1.00 98.18           C  
+ATOM   4972  CD1 PHE B 832     -12.205   4.918  28.396  1.00 98.18           C  
+ATOM   4973  CD2 PHE B 832     -11.490   6.209  26.515  1.00 98.18           C  
+ATOM   4974  CE1 PHE B 832     -10.897   4.880  28.873  1.00 98.18           C  
+ATOM   4975  CE2 PHE B 832     -10.181   6.175  26.985  1.00 98.18           C  
+ATOM   4976  CZ  PHE B 832      -9.886   5.511  28.165  1.00 98.18           C  
+ATOM   4977  N   SER B 833     -16.351   3.667  27.218  1.00 97.49           N  
+ATOM   4978  CA  SER B 833     -17.757   3.918  27.519  1.00 97.49           C  
+ATOM   4979  C   SER B 833     -18.010   5.398  27.785  1.00 97.49           C  
+ATOM   4980  CB  SER B 833     -18.203   3.091  28.726  1.00 97.49           C  
+ATOM   4981  O   SER B 833     -17.083   6.142  28.115  1.00 97.49           O  
+ATOM   4982  OG  SER B 833     -17.538   3.519  29.902  1.00 97.49           O  
+ATOM   4983  N   LYS B 834     -19.297   5.784  27.637  1.00 95.96           N  
+ATOM   4984  CA  LYS B 834     -19.609   7.202  27.787  1.00 95.96           C  
+ATOM   4985  C   LYS B 834     -19.375   7.669  29.220  1.00 95.96           C  
+ATOM   4986  CB  LYS B 834     -21.056   7.479  27.375  1.00 95.96           C  
+ATOM   4987  O   LYS B 834     -19.036   8.831  29.453  1.00 95.96           O  
+ATOM   4988  CG  LYS B 834     -21.302   7.388  25.877  1.00 95.96           C  
+ATOM   4989  CD  LYS B 834     -20.360   8.299  25.100  1.00 95.96           C  
+ATOM   4990  CE  LYS B 834     -20.502   8.100  23.597  1.00 95.96           C  
+ATOM   4991  NZ  LYS B 834     -19.532   8.941  22.833  1.00 95.96           N  
+ATOM   4992  N   SER B 835     -19.443   6.791  30.220  1.00 95.27           N  
+ATOM   4993  CA  SER B 835     -19.132   7.121  31.607  1.00 95.27           C  
+ATOM   4994  C   SER B 835     -17.626   7.209  31.831  1.00 95.27           C  
+ATOM   4995  CB  SER B 835     -19.736   6.083  32.554  1.00 95.27           C  
+ATOM   4996  O   SER B 835     -17.172   7.817  32.802  1.00 95.27           O  
+ATOM   4997  OG  SER B 835     -19.080   4.834  32.415  1.00 95.27           O  
+ATOM   4998  N   GLY B 836     -16.874   6.590  30.906  1.00 96.12           N  
+ATOM   4999  CA  GLY B 836     -15.430   6.524  31.063  1.00 96.12           C  
+ATOM   5000  C   GLY B 836     -14.979   5.403  31.981  1.00 96.12           C  
+ATOM   5001  O   GLY B 836     -13.782   5.230  32.217  1.00 96.12           O  
+ATOM   5002  N   ARG B 837     -15.900   4.608  32.505  1.00 96.00           N  
+ATOM   5003  CA  ARG B 837     -15.623   3.558  33.481  1.00 96.00           C  
+ATOM   5004  C   ARG B 837     -15.087   2.304  32.798  1.00 96.00           C  
+ATOM   5005  CB  ARG B 837     -16.882   3.221  34.281  1.00 96.00           C  
+ATOM   5006  O   ARG B 837     -14.376   1.510  33.417  1.00 96.00           O  
+ATOM   5007  CG  ARG B 837     -16.680   2.125  35.316  1.00 96.00           C  
+ATOM   5008  CD  ARG B 837     -15.666   2.531  36.376  1.00 96.00           C  
+ATOM   5009  NE  ARG B 837     -15.484   1.483  37.377  1.00 96.00           N  
+ATOM   5010  NH1 ARG B 837     -15.654   2.901  39.193  1.00 96.00           N  
+ATOM   5011  NH2 ARG B 837     -15.308   0.658  39.513  1.00 96.00           N  
+ATOM   5012  CZ  ARG B 837     -15.482   1.683  38.692  1.00 96.00           C  
+ATOM   5013  N   LEU B 838     -15.416   2.179  31.534  1.00 97.72           N  
+ATOM   5014  CA  LEU B 838     -14.967   1.006  30.791  1.00 97.72           C  
+ATOM   5015  C   LEU B 838     -14.074   1.411  29.623  1.00 97.72           C  
+ATOM   5016  CB  LEU B 838     -16.167   0.205  30.278  1.00 97.72           C  
+ATOM   5017  O   LEU B 838     -14.361   2.387  28.926  1.00 97.72           O  
+ATOM   5018  CG  LEU B 838     -17.174  -0.257  31.332  1.00 97.72           C  
+ATOM   5019  CD1 LEU B 838     -18.321  -1.015  30.672  1.00 97.72           C  
+ATOM   5020  CD2 LEU B 838     -16.489  -1.123  32.383  1.00 97.72           C  
+ATOM   5021  N   LEU B 839     -12.976   0.729  29.505  1.00 98.33           N  
+ATOM   5022  CA  LEU B 839     -12.123   0.794  28.323  1.00 98.33           C  
+ATOM   5023  C   LEU B 839     -12.244  -0.481  27.495  1.00 98.33           C  
+ATOM   5024  CB  LEU B 839     -10.664   1.018  28.727  1.00 98.33           C  
+ATOM   5025  O   LEU B 839     -11.962  -1.576  27.988  1.00 98.33           O  
+ATOM   5026  CG  LEU B 839      -9.634   0.981  27.597  1.00 98.33           C  
+ATOM   5027  CD1 LEU B 839      -9.893   2.112  26.607  1.00 98.33           C  
+ATOM   5028  CD2 LEU B 839      -8.219   1.069  28.158  1.00 98.33           C  
+ATOM   5029  N   LEU B 840     -12.735  -0.301  26.222  1.00 98.35           N  
+ATOM   5030  CA  LEU B 840     -12.874  -1.422  25.298  1.00 98.35           C  
+ATOM   5031  C   LEU B 840     -11.713  -1.460  24.311  1.00 98.35           C  
+ATOM   5032  CB  LEU B 840     -14.201  -1.330  24.539  1.00 98.35           C  
+ATOM   5033  O   LEU B 840     -11.347  -0.432  23.736  1.00 98.35           O  
+ATOM   5034  CG  LEU B 840     -15.470  -1.310  25.393  1.00 98.35           C  
+ATOM   5035  CD1 LEU B 840     -15.951   0.123  25.595  1.00 98.35           C  
+ATOM   5036  CD2 LEU B 840     -16.561  -2.160  24.750  1.00 98.35           C  
+ATOM   5037  N   ALA B 841     -11.151  -2.698  24.135  1.00 98.21           N  
+ATOM   5038  CA  ALA B 841     -10.011  -2.826  23.231  1.00 98.21           C  
+ATOM   5039  C   ALA B 841     -10.144  -4.068  22.353  1.00 98.21           C  
+ATOM   5040  CB  ALA B 841      -8.706  -2.874  24.022  1.00 98.21           C  
+ATOM   5041  O   ALA B 841     -10.293  -5.181  22.862  1.00 98.21           O  
+ATOM   5042  N   GLY B 842     -10.083  -3.837  21.023  1.00 97.55           N  
+ATOM   5043  CA  GLY B 842     -10.051  -4.933  20.067  1.00 97.55           C  
+ATOM   5044  C   GLY B 842      -8.652  -5.463  19.814  1.00 97.55           C  
+ATOM   5045  O   GLY B 842      -7.692  -4.692  19.754  1.00 97.55           O  
+ATOM   5046  N   TYR B 843      -8.579  -6.775  19.621  1.00 94.50           N  
+ATOM   5047  CA  TYR B 843      -7.271  -7.406  19.484  1.00 94.50           C  
+ATOM   5048  C   TYR B 843      -7.201  -8.248  18.216  1.00 94.50           C  
+ATOM   5049  CB  TYR B 843      -6.963  -8.277  20.706  1.00 94.50           C  
+ATOM   5050  O   TYR B 843      -8.230  -8.551  17.607  1.00 94.50           O  
+ATOM   5051  CG  TYR B 843      -6.693  -7.486  21.963  1.00 94.50           C  
+ATOM   5052  CD1 TYR B 843      -5.392  -7.285  22.417  1.00 94.50           C  
+ATOM   5053  CD2 TYR B 843      -7.739  -6.939  22.699  1.00 94.50           C  
+ATOM   5054  CE1 TYR B 843      -5.138  -6.558  23.576  1.00 94.50           C  
+ATOM   5055  CE2 TYR B 843      -7.497  -6.211  23.860  1.00 94.50           C  
+ATOM   5056  OH  TYR B 843      -5.951  -5.306  25.437  1.00 94.50           O  
+ATOM   5057  CZ  TYR B 843      -6.196  -6.026  24.289  1.00 94.50           C  
+ATOM   5058  N   ASP B 844      -5.958  -8.661  17.876  1.00 90.58           N  
+ATOM   5059  CA  ASP B 844      -5.686  -9.511  16.720  1.00 90.58           C  
+ATOM   5060  C   ASP B 844      -6.122 -10.951  16.982  1.00 90.58           C  
+ATOM   5061  CB  ASP B 844      -4.200  -9.468  16.360  1.00 90.58           C  
+ATOM   5062  O   ASP B 844      -6.204 -11.758  16.054  1.00 90.58           O  
+ATOM   5063  CG  ASP B 844      -3.807  -8.206  15.611  1.00 90.58           C  
+ATOM   5064  OD1 ASP B 844      -4.693  -7.536  15.039  1.00 90.58           O  
+ATOM   5065  OD2 ASP B 844      -2.600  -7.881  15.591  1.00 90.58           O  
+ATOM   5066  N   ASP B 845      -6.459 -11.215  18.207  1.00 88.74           N  
+ATOM   5067  CA  ASP B 845      -6.828 -12.578  18.577  1.00 88.74           C  
+ATOM   5068  C   ASP B 845      -8.339 -12.780  18.492  1.00 88.74           C  
+ATOM   5069  CB  ASP B 845      -6.333 -12.904  19.988  1.00 88.74           C  
+ATOM   5070  O   ASP B 845      -8.902 -13.610  19.209  1.00 88.74           O  
+ATOM   5071  CG  ASP B 845      -6.969 -12.032  21.056  1.00 88.74           C  
+ATOM   5072  OD1 ASP B 845      -7.664 -11.053  20.710  1.00 88.74           O  
+ATOM   5073  OD2 ASP B 845      -6.771 -12.326  22.255  1.00 88.74           O  
+ATOM   5074  N   PHE B 846      -9.045 -11.837  17.837  1.00 93.24           N  
+ATOM   5075  CA  PHE B 846     -10.450 -11.973  17.472  1.00 93.24           C  
+ATOM   5076  C   PHE B 846     -11.350 -11.423  18.572  1.00 93.24           C  
+ATOM   5077  CB  PHE B 846     -10.796 -13.439  17.195  1.00 93.24           C  
+ATOM   5078  O   PHE B 846     -12.568 -11.342  18.402  1.00 93.24           O  
+ATOM   5079  CG  PHE B 846      -9.832 -14.125  16.265  1.00 93.24           C  
+ATOM   5080  CD1 PHE B 846      -8.931 -13.387  15.507  1.00 93.24           C  
+ATOM   5081  CD2 PHE B 846      -9.827 -15.509  16.148  1.00 93.24           C  
+ATOM   5082  CE1 PHE B 846      -8.038 -14.019  14.645  1.00 93.24           C  
+ATOM   5083  CE2 PHE B 846      -8.938 -16.147  15.289  1.00 93.24           C  
+ATOM   5084  CZ  PHE B 846      -8.045 -15.400  14.538  1.00 93.24           C  
+ATOM   5085  N   ASN B 847     -10.766 -11.106  19.726  1.00 94.55           N  
+ATOM   5086  CA  ASN B 847     -11.571 -10.698  20.872  1.00 94.55           C  
+ATOM   5087  C   ASN B 847     -11.480  -9.194  21.115  1.00 94.55           C  
+ATOM   5088  CB  ASN B 847     -11.148 -11.465  22.127  1.00 94.55           C  
+ATOM   5089  O   ASN B 847     -10.524  -8.548  20.682  1.00 94.55           O  
+ATOM   5090  CG  ASN B 847     -11.393 -12.957  22.009  1.00 94.55           C  
+ATOM   5091  ND2 ASN B 847     -10.423 -13.753  22.444  1.00 94.55           N  
+ATOM   5092  OD1 ASN B 847     -12.444 -13.390  21.530  1.00 94.55           O  
+ATOM   5093  N   CYS B 848     -12.559  -8.717  21.756  1.00 96.91           N  
+ATOM   5094  CA  CYS B 848     -12.575  -7.391  22.364  1.00 96.91           C  
+ATOM   5095  C   CYS B 848     -12.599  -7.489  23.885  1.00 96.91           C  
+ATOM   5096  CB  CYS B 848     -13.783  -6.592  21.876  1.00 96.91           C  
+ATOM   5097  O   CYS B 848     -13.523  -8.068  24.459  1.00 96.91           O  
+ATOM   5098  SG  CYS B 848     -13.852  -4.908  22.526  1.00 96.91           S  
+ATOM   5099  N   ASN B 849     -11.568  -6.950  24.503  1.00 97.10           N  
+ATOM   5100  CA  ASN B 849     -11.482  -6.982  25.960  1.00 97.10           C  
+ATOM   5101  C   ASN B 849     -12.050  -5.709  26.582  1.00 97.10           C  
+ATOM   5102  CB  ASN B 849     -10.035  -7.193  26.408  1.00 97.10           C  
+ATOM   5103  O   ASN B 849     -11.845  -4.613  26.059  1.00 97.10           O  
+ATOM   5104  CG  ASN B 849      -9.519  -8.580  26.082  1.00 97.10           C  
+ATOM   5105  ND2 ASN B 849      -8.815  -8.704  24.963  1.00 97.10           N  
+ATOM   5106  OD1 ASN B 849      -9.751  -9.534  26.830  1.00 97.10           O  
+ATOM   5107  N   VAL B 850     -12.771  -5.889  27.662  1.00 97.77           N  
+ATOM   5108  CA  VAL B 850     -13.352  -4.788  28.422  1.00 97.77           C  
+ATOM   5109  C   VAL B 850     -12.600  -4.616  29.740  1.00 97.77           C  
+ATOM   5110  CB  VAL B 850     -14.856  -5.018  28.693  1.00 97.77           C  
+ATOM   5111  O   VAL B 850     -12.544  -5.539  30.555  1.00 97.77           O  
+ATOM   5112  CG1 VAL B 850     -15.474  -3.798  29.375  1.00 97.77           C  
+ATOM   5113  CG2 VAL B 850     -15.590  -5.335  27.391  1.00 97.77           C  
+ATOM   5114  N   TRP B 851     -12.035  -3.443  29.881  1.00 97.89           N  
+ATOM   5115  CA  TRP B 851     -11.217  -3.163  31.057  1.00 97.89           C  
+ATOM   5116  C   TRP B 851     -11.920  -2.180  31.987  1.00 97.89           C  
+ATOM   5117  CB  TRP B 851      -9.852  -2.606  30.642  1.00 97.89           C  
+ATOM   5118  O   TRP B 851     -12.648  -1.296  31.531  1.00 97.89           O  
+ATOM   5119  CG  TRP B 851      -9.101  -3.483  29.686  1.00 97.89           C  
+ATOM   5120  CD1 TRP B 851      -9.124  -3.422  28.320  1.00 97.89           C  
+ATOM   5121  CD2 TRP B 851      -8.219  -4.557  30.025  1.00 97.89           C  
+ATOM   5122  CE2 TRP B 851      -7.741  -5.104  28.814  1.00 97.89           C  
+ATOM   5123  CE3 TRP B 851      -7.785  -5.110  31.237  1.00 97.89           C  
+ATOM   5124  NE1 TRP B 851      -8.308  -4.394  27.790  1.00 97.89           N  
+ATOM   5125  CH2 TRP B 851      -6.440  -6.701  29.980  1.00 97.89           C  
+ATOM   5126  CZ2 TRP B 851      -6.849  -6.179  28.780  1.00 97.89           C  
+ATOM   5127  CZ3 TRP B 851      -6.897  -6.180  31.202  1.00 97.89           C  
+ATOM   5128  N   ASP B 852     -11.708  -2.440  33.193  1.00 97.42           N  
+ATOM   5129  CA  ASP B 852     -12.005  -1.411  34.185  1.00 97.42           C  
+ATOM   5130  C   ASP B 852     -10.969  -0.289  34.139  1.00 97.42           C  
+ATOM   5131  CB  ASP B 852     -12.061  -2.018  35.588  1.00 97.42           C  
+ATOM   5132  O   ASP B 852      -9.820  -0.482  34.542  1.00 97.42           O  
+ATOM   5133  CG  ASP B 852     -12.547  -1.037  36.640  1.00 97.42           C  
+ATOM   5134  OD1 ASP B 852     -12.380   0.188  36.455  1.00 97.42           O  
+ATOM   5135  OD2 ASP B 852     -13.100  -1.493  37.664  1.00 97.42           O  
+ATOM   5136  N   ALA B 853     -11.404   0.890  33.771  1.00 96.78           N  
+ATOM   5137  CA  ALA B 853     -10.485   1.989  33.487  1.00 96.78           C  
+ATOM   5138  C   ALA B 853      -9.776   2.453  34.756  1.00 96.78           C  
+ATOM   5139  CB  ALA B 853     -11.232   3.154  32.842  1.00 96.78           C  
+ATOM   5140  O   ALA B 853      -8.652   2.957  34.697  1.00 96.78           O  
+ATOM   5141  N   LEU B 854     -10.297   2.222  35.918  1.00 96.13           N  
+ATOM   5142  CA  LEU B 854      -9.743   2.734  37.166  1.00 96.13           C  
+ATOM   5143  C   LEU B 854      -8.894   1.674  37.860  1.00 96.13           C  
+ATOM   5144  CB  LEU B 854     -10.864   3.198  38.100  1.00 96.13           C  
+ATOM   5145  O   LEU B 854      -7.972   2.004  38.609  1.00 96.13           O  
+ATOM   5146  CG  LEU B 854     -11.697   4.388  37.620  1.00 96.13           C  
+ATOM   5147  CD1 LEU B 854     -12.764   4.738  38.652  1.00 96.13           C  
+ATOM   5148  CD2 LEU B 854     -10.801   5.590  37.341  1.00 96.13           C  
+ATOM   5149  N   LYS B 855      -9.161   0.341  37.553  1.00 95.28           N  
+ATOM   5150  CA  LYS B 855      -8.524  -0.732  38.311  1.00 95.28           C  
+ATOM   5151  C   LYS B 855      -7.600  -1.559  37.422  1.00 95.28           C  
+ATOM   5152  CB  LYS B 855      -9.578  -1.634  38.954  1.00 95.28           C  
+ATOM   5153  O   LYS B 855      -6.820  -2.375  37.917  1.00 95.28           O  
+ATOM   5154  CG  LYS B 855     -10.494  -0.916  39.934  1.00 95.28           C  
+ATOM   5155  CD  LYS B 855      -9.735  -0.456  41.172  1.00 95.28           C  
+ATOM   5156  CE  LYS B 855     -10.672   0.150  42.209  1.00 95.28           C  
+ATOM   5157  NZ  LYS B 855      -9.937   0.574  43.439  1.00 95.28           N  
+ATOM   5158  N   ALA B 856      -7.665  -1.409  36.175  1.00 95.39           N  
+ATOM   5159  CA  ALA B 856      -6.871  -2.115  35.173  1.00 95.39           C  
+ATOM   5160  C   ALA B 856      -7.149  -3.615  35.211  1.00 95.39           C  
+ATOM   5161  CB  ALA B 856      -5.383  -1.848  35.387  1.00 95.39           C  
+ATOM   5162  O   ALA B 856      -6.263  -4.425  34.926  1.00 95.39           O  
+ATOM   5163  N   ASP B 857      -8.342  -3.932  35.744  1.00 94.87           N  
+ATOM   5164  CA  ASP B 857      -8.793  -5.320  35.740  1.00 94.87           C  
+ATOM   5165  C   ASP B 857      -9.633  -5.622  34.501  1.00 94.87           C  
+ATOM   5166  CB  ASP B 857      -9.596  -5.626  37.007  1.00 94.87           C  
+ATOM   5167  O   ASP B 857     -10.391  -4.768  34.036  1.00 94.87           O  
+ATOM   5168  CG  ASP B 857      -8.754  -5.574  38.269  1.00 94.87           C  
+ATOM   5169  OD1 ASP B 857      -7.514  -5.702  38.181  1.00 94.87           O  
+ATOM   5170  OD2 ASP B 857      -9.336  -5.406  39.363  1.00 94.87           O  
+ATOM   5171  N   ARG B 858      -9.398  -6.841  34.028  1.00 95.59           N  
+ATOM   5172  CA  ARG B 858     -10.237  -7.292  32.923  1.00 95.59           C  
+ATOM   5173  C   ARG B 858     -11.655  -7.589  33.398  1.00 95.59           C  
+ATOM   5174  CB  ARG B 858      -9.635  -8.534  32.262  1.00 95.59           C  
+ATOM   5175  O   ARG B 858     -11.871  -8.514  34.184  1.00 95.59           O  
+ATOM   5176  CG  ARG B 858     -10.348  -8.962  30.990  1.00 95.59           C  
+ATOM   5177  CD  ARG B 858      -9.597 -10.072  30.268  1.00 95.59           C  
+ATOM   5178  NE  ARG B 858      -9.664 -11.333  31.001  1.00 95.59           N  
+ATOM   5179  NH1 ARG B 858      -8.510 -12.554  29.415  1.00 95.59           N  
+ATOM   5180  NH2 ARG B 858      -9.265 -13.572  31.325  1.00 95.59           N  
+ATOM   5181  CZ  ARG B 858      -9.146 -12.484  30.579  1.00 95.59           C  
+ATOM   5182  N   ALA B 859     -12.624  -6.727  32.905  1.00 96.70           N  
+ATOM   5183  CA  ALA B 859     -14.003  -6.816  33.375  1.00 96.70           C  
+ATOM   5184  C   ALA B 859     -14.814  -7.782  32.516  1.00 96.70           C  
+ATOM   5185  CB  ALA B 859     -14.655  -5.436  33.378  1.00 96.70           C  
+ATOM   5186  O   ALA B 859     -15.806  -8.351  32.978  1.00 96.70           O  
+ATOM   5187  N   GLY B 860     -14.404  -8.003  31.299  1.00 96.34           N  
+ATOM   5188  CA  GLY B 860     -15.147  -8.874  30.403  1.00 96.34           C  
+ATOM   5189  C   GLY B 860     -14.481  -9.047  29.051  1.00 96.34           C  
+ATOM   5190  O   GLY B 860     -13.490  -8.379  28.751  1.00 96.34           O  
+ATOM   5191  N   VAL B 861     -15.016 -10.067  28.327  1.00 96.26           N  
+ATOM   5192  CA  VAL B 861     -14.525 -10.361  26.985  1.00 96.26           C  
+ATOM   5193  C   VAL B 861     -15.702 -10.479  26.019  1.00 96.26           C  
+ATOM   5194  CB  VAL B 861     -13.683 -11.657  26.960  1.00 96.26           C  
+ATOM   5195  O   VAL B 861     -16.662 -11.205  26.286  1.00 96.26           O  
+ATOM   5196  CG1 VAL B 861     -13.152 -11.928  25.554  1.00 96.26           C  
+ATOM   5197  CG2 VAL B 861     -12.533 -11.564  27.961  1.00 96.26           C  
+ATOM   5198  N   LEU B 862     -15.630  -9.649  24.960  1.00 96.73           N  
+ATOM   5199  CA  LEU B 862     -16.579  -9.821  23.866  1.00 96.73           C  
+ATOM   5200  C   LEU B 862     -16.035 -10.790  22.822  1.00 96.73           C  
+ATOM   5201  CB  LEU B 862     -16.894  -8.473  23.212  1.00 96.73           C  
+ATOM   5202  O   LEU B 862     -15.231 -10.405  21.971  1.00 96.73           O  
+ATOM   5203  CG  LEU B 862     -17.248  -7.326  24.160  1.00 96.73           C  
+ATOM   5204  CD1 LEU B 862     -17.618  -6.077  23.367  1.00 96.73           C  
+ATOM   5205  CD2 LEU B 862     -18.388  -7.732  25.089  1.00 96.73           C  
+ATOM   5206  N   ALA B 863     -16.542 -12.057  22.934  1.00 94.30           N  
+ATOM   5207  CA  ALA B 863     -16.097 -13.121  22.039  1.00 94.30           C  
+ATOM   5208  C   ALA B 863     -17.188 -13.490  21.039  1.00 94.30           C  
+ATOM   5209  CB  ALA B 863     -15.678 -14.351  22.842  1.00 94.30           C  
+ATOM   5210  O   ALA B 863     -18.286 -13.896  21.429  1.00 94.30           O  
+ATOM   5211  N   GLY B 864     -17.034 -13.187  19.802  1.00 93.06           N  
+ATOM   5212  CA  GLY B 864     -18.055 -13.513  18.819  1.00 93.06           C  
+ATOM   5213  C   GLY B 864     -17.541 -13.479  17.392  1.00 93.06           C  
+ATOM   5214  O   GLY B 864     -18.104 -14.129  16.509  1.00 93.06           O  
+ATOM   5215  N   HIS B 865     -16.413 -12.931  17.205  1.00 96.74           N  
+ATOM   5216  CA  HIS B 865     -15.848 -12.852  15.862  1.00 96.74           C  
+ATOM   5217  C   HIS B 865     -14.930 -14.037  15.580  1.00 96.74           C  
+ATOM   5218  CB  HIS B 865     -15.083 -11.540  15.679  1.00 96.74           C  
+ATOM   5219  O   HIS B 865     -14.418 -14.666  16.509  1.00 96.74           O  
+ATOM   5220  CG  HIS B 865     -15.969 -10.348  15.504  1.00 96.74           C  
+ATOM   5221  CD2 HIS B 865     -16.188  -9.278  16.304  1.00 96.74           C  
+ATOM   5222  ND1 HIS B 865     -16.763 -10.168  14.392  1.00 96.74           N  
+ATOM   5223  CE1 HIS B 865     -17.432  -9.034  14.515  1.00 96.74           C  
+ATOM   5224  NE2 HIS B 865     -17.102  -8.475  15.667  1.00 96.74           N  
+ATOM   5225  N   ASP B 866     -14.754 -14.372  14.325  1.00 94.63           N  
+ATOM   5226  CA  ASP B 866     -13.950 -15.520  13.914  1.00 94.63           C  
+ATOM   5227  C   ASP B 866     -12.621 -15.071  13.311  1.00 94.63           C  
+ATOM   5228  CB  ASP B 866     -14.719 -16.382  12.910  1.00 94.63           C  
+ATOM   5229  O   ASP B 866     -11.907 -15.872  12.704  1.00 94.63           O  
+ATOM   5230  CG  ASP B 866     -15.940 -17.051  13.516  1.00 94.63           C  
+ATOM   5231  OD1 ASP B 866     -15.863 -17.532  14.667  1.00 94.63           O  
+ATOM   5232  OD2 ASP B 866     -16.987 -17.101  12.835  1.00 94.63           O  
+ATOM   5233  N   ASN B 867     -12.448 -13.824  13.336  1.00 94.83           N  
+ATOM   5234  CA  ASN B 867     -11.225 -13.203  12.838  1.00 94.83           C  
+ATOM   5235  C   ASN B 867     -10.892 -11.927  13.605  1.00 94.83           C  
+ATOM   5236  CB  ASN B 867     -11.345 -12.906  11.341  1.00 94.83           C  
+ATOM   5237  O   ASN B 867     -11.544 -11.609  14.602  1.00 94.83           O  
+ATOM   5238  CG  ASN B 867     -10.032 -13.083  10.604  1.00 94.83           C  
+ATOM   5239  ND2 ASN B 867     -10.108 -13.529   9.356  1.00 94.83           N  
+ATOM   5240  OD1 ASN B 867      -8.958 -12.822  11.152  1.00 94.83           O  
+ATOM   5241  N   ARG B 868      -9.813 -11.245  13.190  1.00 94.59           N  
+ATOM   5242  CA  ARG B 868      -9.295 -10.044  13.837  1.00 94.59           C  
+ATOM   5243  C   ARG B 868     -10.371  -8.968  13.939  1.00 94.59           C  
+ATOM   5244  CB  ARG B 868      -8.084  -9.502  13.075  1.00 94.59           C  
+ATOM   5245  O   ARG B 868     -11.086  -8.704  12.970  1.00 94.59           O  
+ATOM   5246  CG  ARG B 868      -7.575  -8.167  13.594  1.00 94.59           C  
+ATOM   5247  CD  ARG B 868      -6.398  -7.655  12.776  1.00 94.59           C  
+ATOM   5248  NE  ARG B 868      -5.760  -6.505  13.411  1.00 94.59           N  
+ATOM   5249  NH1 ARG B 868      -4.274  -6.115  11.685  1.00 94.59           N  
+ATOM   5250  NH2 ARG B 868      -4.258  -4.773  13.543  1.00 94.59           N  
+ATOM   5251  CZ  ARG B 868      -4.765  -5.800  12.878  1.00 94.59           C  
+ATOM   5252  N   VAL B 869     -10.563  -8.357  15.237  1.00 97.34           N  
+ATOM   5253  CA  VAL B 869     -11.426  -7.195  15.421  1.00 97.34           C  
+ATOM   5254  C   VAL B 869     -10.674  -5.925  15.032  1.00 97.34           C  
+ATOM   5255  CB  VAL B 869     -11.933  -7.089  16.877  1.00 97.34           C  
+ATOM   5256  O   VAL B 869      -9.761  -5.495  15.741  1.00 97.34           O  
+ATOM   5257  CG1 VAL B 869     -12.828  -5.864  17.050  1.00 97.34           C  
+ATOM   5258  CG2 VAL B 869     -12.680  -8.361  17.275  1.00 97.34           C  
+ATOM   5259  N   SER B 870     -11.084  -5.345  13.924  1.00 97.03           N  
+ATOM   5260  CA  SER B 870     -10.300  -4.271  13.322  1.00 97.03           C  
+ATOM   5261  C   SER B 870     -10.791  -2.903  13.783  1.00 97.03           C  
+ATOM   5262  CB  SER B 870     -10.357  -4.356  11.796  1.00 97.03           C  
+ATOM   5263  O   SER B 870     -10.052  -1.919  13.719  1.00 97.03           O  
+ATOM   5264  OG  SER B 870     -11.698  -4.298  11.339  1.00 97.03           O  
+ATOM   5265  N   CYS B 871     -12.016  -2.741  14.169  1.00 97.62           N  
+ATOM   5266  CA  CYS B 871     -12.567  -1.455  14.581  1.00 97.62           C  
+ATOM   5267  C   CYS B 871     -13.683  -1.642  15.602  1.00 97.62           C  
+ATOM   5268  CB  CYS B 871     -13.094  -0.684  13.371  1.00 97.62           C  
+ATOM   5269  O   CYS B 871     -14.275  -2.719  15.690  1.00 97.62           O  
+ATOM   5270  SG  CYS B 871     -14.308  -1.600  12.397  1.00 97.62           S  
+ATOM   5271  N   LEU B 872     -13.854  -0.725  16.477  1.00 97.76           N  
+ATOM   5272  CA  LEU B 872     -14.945  -0.707  17.444  1.00 97.76           C  
+ATOM   5273  C   LEU B 872     -15.351   0.724  17.780  1.00 97.76           C  
+ATOM   5274  CB  LEU B 872     -14.542  -1.448  18.722  1.00 97.76           C  
+ATOM   5275  O   LEU B 872     -14.575   1.660  17.568  1.00 97.76           O  
+ATOM   5276  CG  LEU B 872     -13.446  -0.797  19.567  1.00 97.76           C  
+ATOM   5277  CD1 LEU B 872     -14.058   0.176  20.569  1.00 97.76           C  
+ATOM   5278  CD2 LEU B 872     -12.619  -1.860  20.282  1.00 97.76           C  
+ATOM   5279  N   GLY B 873     -16.616   0.897  18.219  1.00 97.20           N  
+ATOM   5280  CA  GLY B 873     -17.147   2.194  18.608  1.00 97.20           C  
+ATOM   5281  C   GLY B 873     -18.355   2.094  19.520  1.00 97.20           C  
+ATOM   5282  O   GLY B 873     -19.061   1.084  19.516  1.00 97.20           O  
+ATOM   5283  N   VAL B 874     -18.475   3.127  20.347  1.00 97.61           N  
+ATOM   5284  CA  VAL B 874     -19.602   3.224  21.270  1.00 97.61           C  
+ATOM   5285  C   VAL B 874     -20.530   4.356  20.835  1.00 97.61           C  
+ATOM   5286  CB  VAL B 874     -19.127   3.451  22.723  1.00 97.61           C  
+ATOM   5287  O   VAL B 874     -20.068   5.416  20.406  1.00 97.61           O  
+ATOM   5288  CG1 VAL B 874     -20.321   3.569  23.668  1.00 97.61           C  
+ATOM   5289  CG2 VAL B 874     -18.201   2.320  23.164  1.00 97.61           C  
+ATOM   5290  N   THR B 875     -21.822   4.108  20.853  1.00 96.78           N  
+ATOM   5291  CA  THR B 875     -22.778   5.145  20.482  1.00 96.78           C  
+ATOM   5292  C   THR B 875     -22.715   6.314  21.460  1.00 96.78           C  
+ATOM   5293  CB  THR B 875     -24.214   4.590  20.433  1.00 96.78           C  
+ATOM   5294  O   THR B 875     -22.312   6.145  22.613  1.00 96.78           O  
+ATOM   5295  CG2 THR B 875     -24.362   3.544  19.333  1.00 96.78           C  
+ATOM   5296  OG1 THR B 875     -24.530   3.988  21.694  1.00 96.78           O  
+ATOM   5297  N   ASP B 876     -23.134   7.469  20.976  1.00 93.69           N  
+ATOM   5298  CA  ASP B 876     -23.082   8.705  21.752  1.00 93.69           C  
+ATOM   5299  C   ASP B 876     -23.959   8.608  22.998  1.00 93.69           C  
+ATOM   5300  CB  ASP B 876     -23.517   9.895  20.894  1.00 93.69           C  
+ATOM   5301  O   ASP B 876     -23.671   9.242  24.016  1.00 93.69           O  
+ATOM   5302  CG  ASP B 876     -22.418  10.396  19.974  1.00 93.69           C  
+ATOM   5303  OD1 ASP B 876     -21.259   9.949  20.109  1.00 93.69           O  
+ATOM   5304  OD2 ASP B 876     -22.714  11.248  19.108  1.00 93.69           O  
+ATOM   5305  N   ASP B 877     -25.027   7.825  22.905  1.00 95.29           N  
+ATOM   5306  CA  ASP B 877     -25.902   7.678  24.064  1.00 95.29           C  
+ATOM   5307  C   ASP B 877     -25.389   6.591  25.006  1.00 95.29           C  
+ATOM   5308  CB  ASP B 877     -27.331   7.358  23.621  1.00 95.29           C  
+ATOM   5309  O   ASP B 877     -25.990   6.333  26.051  1.00 95.29           O  
+ATOM   5310  CG  ASP B 877     -27.437   6.047  22.861  1.00 95.29           C  
+ATOM   5311  OD1 ASP B 877     -26.415   5.341  22.718  1.00 95.29           O  
+ATOM   5312  OD2 ASP B 877     -28.551   5.719  22.398  1.00 95.29           O  
+ATOM   5313  N   GLY B 878     -24.313   5.823  24.598  1.00 95.46           N  
+ATOM   5314  CA  GLY B 878     -23.636   4.851  25.441  1.00 95.46           C  
+ATOM   5315  C   GLY B 878     -24.378   3.532  25.546  1.00 95.46           C  
+ATOM   5316  O   GLY B 878     -24.035   2.684  26.372  1.00 95.46           O  
+ATOM   5317  N   MET B 879     -25.304   3.259  24.719  1.00 94.50           N  
+ATOM   5318  CA  MET B 879     -26.202   2.118  24.872  1.00 94.50           C  
+ATOM   5319  C   MET B 879     -25.708   0.924  24.063  1.00 94.50           C  
+ATOM   5320  CB  MET B 879     -27.622   2.490  24.441  1.00 94.50           C  
+ATOM   5321  O   MET B 879     -26.091  -0.216  24.332  1.00 94.50           O  
+ATOM   5322  CG  MET B 879     -28.300   3.490  25.363  1.00 94.50           C  
+ATOM   5323  SD  MET B 879     -28.435   2.877  27.087  1.00 94.50           S  
+ATOM   5324  CE  MET B 879     -29.815   1.712  26.906  1.00 94.50           C  
+ATOM   5325  N   ALA B 880     -24.829   1.187  23.103  1.00 96.12           N  
+ATOM   5326  CA  ALA B 880     -24.407   0.078  22.251  1.00 96.12           C  
+ATOM   5327  C   ALA B 880     -22.932   0.204  21.878  1.00 96.12           C  
+ATOM   5328  CB  ALA B 880     -25.268   0.017  20.992  1.00 96.12           C  
+ATOM   5329  O   ALA B 880     -22.392   1.311  21.821  1.00 96.12           O  
+ATOM   5330  N   VAL B 881     -22.376  -0.968  21.691  1.00 97.63           N  
+ATOM   5331  CA  VAL B 881     -21.022  -1.093  21.163  1.00 97.63           C  
+ATOM   5332  C   VAL B 881     -21.053  -1.843  19.834  1.00 97.63           C  
+ATOM   5333  CB  VAL B 881     -20.089  -1.815  22.161  1.00 97.63           C  
+ATOM   5334  O   VAL B 881     -21.724  -2.870  19.709  1.00 97.63           O  
+ATOM   5335  CG1 VAL B 881     -18.683  -1.957  21.580  1.00 97.63           C  
+ATOM   5336  CG2 VAL B 881     -20.047  -1.065  23.491  1.00 97.63           C  
+ATOM   5337  N   ALA B 882     -20.377  -1.261  18.850  1.00 98.13           N  
+ATOM   5338  CA  ALA B 882     -20.220  -1.962  17.578  1.00 98.13           C  
+ATOM   5339  C   ALA B 882     -18.778  -2.421  17.381  1.00 98.13           C  
+ATOM   5340  CB  ALA B 882     -20.654  -1.068  16.420  1.00 98.13           C  
+ATOM   5341  O   ALA B 882     -17.838  -1.674  17.661  1.00 98.13           O  
+ATOM   5342  N   THR B 883     -18.662  -3.677  16.924  1.00 98.45           N  
+ATOM   5343  CA  THR B 883     -17.356  -4.198  16.538  1.00 98.45           C  
+ATOM   5344  C   THR B 883     -17.362  -4.648  15.080  1.00 98.45           C  
+ATOM   5345  CB  THR B 883     -16.936  -5.375  17.438  1.00 98.45           C  
+ATOM   5346  O   THR B 883     -18.331  -5.251  14.615  1.00 98.45           O  
+ATOM   5347  CG2 THR B 883     -16.812  -4.936  18.894  1.00 98.45           C  
+ATOM   5348  OG1 THR B 883     -17.918  -6.414  17.346  1.00 98.45           O  
+ATOM   5349  N   GLY B 884     -16.337  -4.276  14.321  1.00 98.16           N  
+ATOM   5350  CA  GLY B 884     -16.087  -4.747  12.969  1.00 98.16           C  
+ATOM   5351  C   GLY B 884     -14.877  -5.657  12.868  1.00 98.16           C  
+ATOM   5352  O   GLY B 884     -13.867  -5.433  13.538  1.00 98.16           O  
+ATOM   5353  N   SER B 885     -14.991  -6.668  11.969  1.00 98.15           N  
+ATOM   5354  CA  SER B 885     -13.944  -7.685  11.965  1.00 98.15           C  
+ATOM   5355  C   SER B 885     -13.582  -8.100  10.543  1.00 98.15           C  
+ATOM   5356  CB  SER B 885     -14.385  -8.911  12.766  1.00 98.15           C  
+ATOM   5357  O   SER B 885     -14.345  -7.854   9.606  1.00 98.15           O  
+ATOM   5358  OG  SER B 885     -13.430  -9.953  12.656  1.00 98.15           O  
+ATOM   5359  N   TRP B 886     -12.491  -8.702  10.452  1.00 96.71           N  
+ATOM   5360  CA  TRP B 886     -12.025  -9.259   9.187  1.00 96.71           C  
+ATOM   5361  C   TRP B 886     -12.842 -10.487   8.799  1.00 96.71           C  
+ATOM   5362  CB  TRP B 886     -10.541  -9.625   9.274  1.00 96.71           C  
+ATOM   5363  O   TRP B 886     -12.614 -11.085   7.745  1.00 96.71           O  
+ATOM   5364  CG  TRP B 886      -9.617  -8.448   9.185  1.00 96.71           C  
+ATOM   5365  CD1 TRP B 886      -9.959  -7.126   9.246  1.00 96.71           C  
+ATOM   5366  CD2 TRP B 886      -8.197  -8.488   9.014  1.00 96.71           C  
+ATOM   5367  CE2 TRP B 886      -7.742  -7.151   8.980  1.00 96.71           C  
+ATOM   5368  CE3 TRP B 886      -7.263  -9.525   8.886  1.00 96.71           C  
+ATOM   5369  NE1 TRP B 886      -8.836  -6.340   9.124  1.00 96.71           N  
+ATOM   5370  CH2 TRP B 886      -5.501  -7.859   8.701  1.00 96.71           C  
+ATOM   5371  CZ2 TRP B 886      -6.393  -6.825   8.824  1.00 96.71           C  
+ATOM   5372  CZ3 TRP B 886      -5.921  -9.199   8.730  1.00 96.71           C  
+ATOM   5373  N   ASP B 887     -13.740 -10.892   9.591  1.00 95.66           N  
+ATOM   5374  CA  ASP B 887     -14.653 -11.975   9.240  1.00 95.66           C  
+ATOM   5375  C   ASP B 887     -15.837 -11.455   8.429  1.00 95.66           C  
+ATOM   5376  CB  ASP B 887     -15.151 -12.686  10.500  1.00 95.66           C  
+ATOM   5377  O   ASP B 887     -16.803 -12.184   8.193  1.00 95.66           O  
+ATOM   5378  CG  ASP B 887     -15.940 -11.775  11.423  1.00 95.66           C  
+ATOM   5379  OD1 ASP B 887     -16.270 -10.638  11.021  1.00 95.66           O  
+ATOM   5380  OD2 ASP B 887     -16.232 -12.195  12.564  1.00 95.66           O  
+ATOM   5381  N   SER B 888     -15.844 -10.215   8.109  1.00 96.68           N  
+ATOM   5382  CA  SER B 888     -16.768  -9.524   7.215  1.00 96.68           C  
+ATOM   5383  C   SER B 888     -18.058  -9.150   7.936  1.00 96.68           C  
+ATOM   5384  CB  SER B 888     -17.088 -10.393   5.998  1.00 96.68           C  
+ATOM   5385  O   SER B 888     -19.071  -8.859   7.297  1.00 96.68           O  
+ATOM   5386  OG  SER B 888     -17.631 -11.639   6.399  1.00 96.68           O  
+ATOM   5387  N   PHE B 889     -18.047  -9.236   9.287  1.00 97.54           N  
+ATOM   5388  CA  PHE B 889     -19.267  -8.954  10.034  1.00 97.54           C  
+ATOM   5389  C   PHE B 889     -19.062  -7.776  10.980  1.00 97.54           C  
+ATOM   5390  CB  PHE B 889     -19.714 -10.189  10.822  1.00 97.54           C  
+ATOM   5391  O   PHE B 889     -17.947  -7.535  11.447  1.00 97.54           O  
+ATOM   5392  CG  PHE B 889     -20.086 -11.361   9.954  1.00 97.54           C  
+ATOM   5393  CD1 PHE B 889     -21.191 -11.299   9.114  1.00 97.54           C  
+ATOM   5394  CD2 PHE B 889     -19.329 -12.525   9.979  1.00 97.54           C  
+ATOM   5395  CE1 PHE B 889     -21.537 -12.382   8.310  1.00 97.54           C  
+ATOM   5396  CE2 PHE B 889     -19.669 -13.612   9.178  1.00 97.54           C  
+ATOM   5397  CZ  PHE B 889     -20.774 -13.539   8.345  1.00 97.54           C  
+ATOM   5398  N   LEU B 890     -20.177  -7.013  11.129  1.00 98.11           N  
+ATOM   5399  CA  LEU B 890     -20.308  -6.086  12.248  1.00 98.11           C  
+ATOM   5400  C   LEU B 890     -21.242  -6.649  13.314  1.00 98.11           C  
+ATOM   5401  CB  LEU B 890     -20.828  -4.730  11.762  1.00 98.11           C  
+ATOM   5402  O   LEU B 890     -22.300  -7.196  12.992  1.00 98.11           O  
+ATOM   5403  CG  LEU B 890     -19.883  -3.921  10.872  1.00 98.11           C  
+ATOM   5404  CD1 LEU B 890     -20.388  -3.913   9.433  1.00 98.11           C  
+ATOM   5405  CD2 LEU B 890     -19.737  -2.498  11.401  1.00 98.11           C  
+ATOM   5406  N   LYS B 891     -20.795  -6.540  14.534  1.00 98.10           N  
+ATOM   5407  CA  LYS B 891     -21.652  -6.979  15.632  1.00 98.10           C  
+ATOM   5408  C   LYS B 891     -21.997  -5.817  16.558  1.00 98.10           C  
+ATOM   5409  CB  LYS B 891     -20.977  -8.099  16.425  1.00 98.10           C  
+ATOM   5410  O   LYS B 891     -21.134  -5.000  16.887  1.00 98.10           O  
+ATOM   5411  CG  LYS B 891     -20.813  -9.396  15.647  1.00 98.10           C  
+ATOM   5412  CD  LYS B 891     -20.271 -10.513  16.531  1.00 98.10           C  
+ATOM   5413  CE  LYS B 891     -20.067 -11.801  15.744  1.00 98.10           C  
+ATOM   5414  NZ  LYS B 891     -21.313 -12.622  15.692  1.00 98.10           N  
+ATOM   5415  N   ILE B 892     -23.305  -5.770  16.924  1.00 97.90           N  
+ATOM   5416  CA  ILE B 892     -23.784  -4.779  17.881  1.00 97.90           C  
+ATOM   5417  C   ILE B 892     -23.986  -5.434  19.245  1.00 97.90           C  
+ATOM   5418  CB  ILE B 892     -25.098  -4.120  17.403  1.00 97.90           C  
+ATOM   5419  O   ILE B 892     -24.715  -6.421  19.365  1.00 97.90           O  
+ATOM   5420  CG1 ILE B 892     -24.936  -3.579  15.978  1.00 97.90           C  
+ATOM   5421  CG2 ILE B 892     -25.525  -3.008  18.366  1.00 97.90           C  
+ATOM   5422  CD1 ILE B 892     -23.861  -2.510  15.840  1.00 97.90           C  
+ATOM   5423  N   TRP B 893     -23.279  -4.816  20.268  1.00 97.06           N  
+ATOM   5424  CA  TRP B 893     -23.307  -5.363  21.621  1.00 97.06           C  
+ATOM   5425  C   TRP B 893     -24.084  -4.449  22.562  1.00 97.06           C  
+ATOM   5426  CB  TRP B 893     -21.884  -5.569  22.147  1.00 97.06           C  
+ATOM   5427  O   TRP B 893     -24.084  -3.228  22.391  1.00 97.06           O  
+ATOM   5428  CG  TRP B 893     -20.956  -6.212  21.161  1.00 97.06           C  
+ATOM   5429  CD1 TRP B 893     -20.338  -5.612  20.099  1.00 97.06           C  
+ATOM   5430  CD2 TRP B 893     -20.546  -7.582  21.142  1.00 97.06           C  
+ATOM   5431  CE2 TRP B 893     -19.676  -7.743  20.040  1.00 97.06           C  
+ATOM   5432  CE3 TRP B 893     -20.828  -8.691  21.951  1.00 97.06           C  
+ATOM   5433  NE1 TRP B 893     -19.567  -6.528  19.421  1.00 97.06           N  
+ATOM   5434  CH2 TRP B 893     -19.380 -10.039  20.536  1.00 97.06           C  
+ATOM   5435  CZ2 TRP B 893     -19.087  -8.971  19.728  1.00 97.06           C  
+ATOM   5436  CZ3 TRP B 893     -20.240  -9.911  21.639  1.00 97.06           C  
+ATOM   5437  N   ASN B 894     -24.814  -4.892  23.552  1.00 90.47           N  
+ATOM   5438  CA  ASN B 894     -25.423  -4.180  24.670  1.00 90.47           C  
+ATOM   5439  C   ASN B 894     -25.346  -4.992  25.961  1.00 90.47           C  
+ATOM   5440  CB  ASN B 894     -26.877  -3.826  24.353  1.00 90.47           C  
+ATOM   5441  O   ASN B 894     -25.191  -6.214  25.922  1.00 90.47           O  
+ATOM   5442  CG  ASN B 894     -27.752  -5.051  24.175  1.00 90.47           C  
+ATOM   5443  ND2 ASN B 894     -29.007  -4.834  23.799  1.00 90.47           N  
+ATOM   5444  OD1 ASN B 894     -27.304  -6.183  24.374  1.00 90.47           O  
diff --git a/modules/core/test/input/1gp2/1gp2_AB_conf2.pdb b/modules/core/test/input/1gp2/1gp2_AB_conf2.pdb
new file mode 100644
index 0000000000..16e6902562
--- /dev/null
+++ b/modules/core/test/input/1gp2/1gp2_AB_conf2.pdb
@@ -0,0 +1,5444 @@
+ATOM      1  N   MET A   1     -31.004  -9.712  42.508  1.00 37.90           N  
+ATOM      2  CA  MET A   1     -31.957  -9.888  41.416  1.00 37.90           C  
+ATOM      3  C   MET A   1     -31.272 -10.470  40.185  1.00 37.90           C  
+ATOM      4  CB  MET A   1     -32.624  -8.557  41.064  1.00 37.90           C  
+ATOM      5  O   MET A   1     -30.349  -9.864  39.638  1.00 37.90           O  
+ATOM      6  CG  MET A   1     -33.905  -8.289  41.837  1.00 37.90           C  
+ATOM      7  SD  MET A   1     -35.090  -7.251  40.896  1.00 37.90           S  
+ATOM      8  CE  MET A   1     -35.048  -5.735  41.893  1.00 37.90           C  
+ATOM      9  N   GLY A   2     -30.870 -11.788  40.219  1.00 43.10           N  
+ATOM     10  CA  GLY A   2     -30.354 -12.804  39.315  1.00 43.10           C  
+ATOM     11  C   GLY A   2     -30.752 -12.574  37.869  1.00 43.10           C  
+ATOM     12  O   GLY A   2     -31.933 -12.648  37.525  1.00 43.10           O  
+ATOM     13  N   CYS A   3     -30.503 -11.432  37.138  1.00 47.98           N  
+ATOM     14  CA  CYS A   3     -30.785 -11.145  35.736  1.00 47.98           C  
+ATOM     15  C   CYS A   3     -30.372 -12.311  34.847  1.00 47.98           C  
+ATOM     16  CB  CYS A   3     -30.061  -9.874  35.294  1.00 47.98           C  
+ATOM     17  O   CYS A   3     -29.197 -12.682  34.807  1.00 47.98           O  
+ATOM     18  SG  CYS A   3     -31.121  -8.412  35.245  1.00 47.98           S  
+ATOM     19  N   THR A   4     -31.088 -13.474  34.826  1.00 56.54           N  
+ATOM     20  CA  THR A   4     -31.002 -14.574  33.872  1.00 56.54           C  
+ATOM     21  C   THR A   4     -30.851 -14.044  32.449  1.00 56.54           C  
+ATOM     22  CB  THR A   4     -32.241 -15.484  33.955  1.00 56.54           C  
+ATOM     23  O   THR A   4     -31.514 -13.077  32.067  1.00 56.54           O  
+ATOM     24  CG2 THR A   4     -32.260 -16.269  35.262  1.00 56.54           C  
+ATOM     25  OG1 THR A   4     -33.424 -14.680  33.876  1.00 56.54           O  
+ATOM     26  N   LEU A   5     -29.601 -13.891  31.904  1.00 63.98           N  
+ATOM     27  CA  LEU A   5     -29.288 -13.650  30.500  1.00 63.98           C  
+ATOM     28  C   LEU A   5     -30.259 -14.397  29.591  1.00 63.98           C  
+ATOM     29  CB  LEU A   5     -27.851 -14.077  30.190  1.00 63.98           C  
+ATOM     30  O   LEU A   5     -30.687 -15.507  29.912  1.00 63.98           O  
+ATOM     31  CG  LEU A   5     -26.745 -13.140  30.680  1.00 63.98           C  
+ATOM     32  CD1 LEU A   5     -25.473 -13.929  30.971  1.00 63.98           C  
+ATOM     33  CD2 LEU A   5     -26.478 -12.045  29.654  1.00 63.98           C  
+ATOM     34  N   SER A   6     -30.943 -13.740  28.679  1.00 79.15           N  
+ATOM     35  CA  SER A   6     -31.757 -14.367  27.642  1.00 79.15           C  
+ATOM     36  C   SER A   6     -30.958 -15.409  26.867  1.00 79.15           C  
+ATOM     37  CB  SER A   6     -32.305 -13.312  26.680  1.00 79.15           C  
+ATOM     38  O   SER A   6     -29.727 -15.430  26.933  1.00 79.15           O  
+ATOM     39  OG  SER A   6     -31.281 -12.829  25.827  1.00 79.15           O  
+ATOM     40  N   ALA A   7     -31.574 -16.523  26.372  1.00 82.86           N  
+ATOM     41  CA  ALA A   7     -30.993 -17.582  25.552  1.00 82.86           C  
+ATOM     42  C   ALA A   7     -30.142 -17.001  24.427  1.00 82.86           C  
+ATOM     43  CB  ALA A   7     -32.091 -18.474  24.978  1.00 82.86           C  
+ATOM     44  O   ALA A   7     -29.066 -17.521  24.122  1.00 82.86           O  
+ATOM     45  N   GLU A   8     -30.567 -15.887  23.882  1.00 80.79           N  
+ATOM     46  CA  GLU A   8     -29.848 -15.234  22.792  1.00 80.79           C  
+ATOM     47  C   GLU A   8     -28.548 -14.606  23.286  1.00 80.79           C  
+ATOM     48  CB  GLU A   8     -30.727 -14.170  22.129  1.00 80.79           C  
+ATOM     49  O   GLU A   8     -27.512 -14.708  22.624  1.00 80.79           O  
+ATOM     50  CG  GLU A   8     -31.777 -14.740  21.187  1.00 80.79           C  
+ATOM     51  CD  GLU A   8     -32.678 -13.677  20.579  1.00 80.79           C  
+ATOM     52  OE1 GLU A   8     -33.635 -14.033  19.855  1.00 80.79           O  
+ATOM     53  OE2 GLU A   8     -32.425 -12.477  20.829  1.00 80.79           O  
+ATOM     54  N   ASP A   9     -28.587 -14.007  24.434  1.00 84.18           N  
+ATOM     55  CA  ASP A   9     -27.408 -13.390  25.034  1.00 84.18           C  
+ATOM     56  C   ASP A   9     -26.376 -14.445  25.427  1.00 84.18           C  
+ATOM     57  CB  ASP A   9     -27.801 -12.558  26.256  1.00 84.18           C  
+ATOM     58  O   ASP A   9     -25.174 -14.242  25.246  1.00 84.18           O  
+ATOM     59  CG  ASP A   9     -28.480 -11.249  25.889  1.00 84.18           C  
+ATOM     60  OD1 ASP A   9     -28.373 -10.813  24.723  1.00 84.18           O  
+ATOM     61  OD2 ASP A   9     -29.125 -10.648  26.775  1.00 84.18           O  
+ATOM     62  N   LYS A  10     -26.877 -15.598  25.903  1.00 87.51           N  
+ATOM     63  CA  LYS A  10     -25.986 -16.696  26.267  1.00 87.51           C  
+ATOM     64  C   LYS A  10     -25.273 -17.256  25.039  1.00 87.51           C  
+ATOM     65  CB  LYS A  10     -26.764 -17.808  26.972  1.00 87.51           C  
+ATOM     66  O   LYS A  10     -24.076 -17.547  25.089  1.00 87.51           O  
+ATOM     67  CG  LYS A  10     -27.141 -17.483  28.410  1.00 87.51           C  
+ATOM     68  CD  LYS A  10     -27.840 -18.657  29.084  1.00 87.51           C  
+ATOM     69  CE  LYS A  10     -28.302 -18.301  30.491  1.00 87.51           C  
+ATOM     70  NZ  LYS A  10     -29.024 -19.436  31.140  1.00 87.51           N  
+ATOM     71  N   ALA A  11     -26.043 -17.422  23.943  1.00 87.44           N  
+ATOM     72  CA  ALA A  11     -25.474 -17.927  22.696  1.00 87.44           C  
+ATOM     73  C   ALA A  11     -24.417 -16.973  22.149  1.00 87.44           C  
+ATOM     74  CB  ALA A  11     -26.574 -18.149  21.661  1.00 87.44           C  
+ATOM     75  O   ALA A  11     -23.376 -17.408  21.650  1.00 87.44           O  
+ATOM     76  N   ALA A  12     -24.658 -15.668  22.277  1.00 87.42           N  
+ATOM     77  CA  ALA A  12     -23.726 -14.644  21.813  1.00 87.42           C  
+ATOM     78  C   ALA A  12     -22.421 -14.692  22.601  1.00 87.42           C  
+ATOM     79  CB  ALA A  12     -24.360 -13.259  21.923  1.00 87.42           C  
+ATOM     80  O   ALA A  12     -21.335 -14.598  22.023  1.00 87.42           O  
+ATOM     81  N   VAL A  13     -22.484 -14.831  23.879  1.00 90.65           N  
+ATOM     82  CA  VAL A  13     -21.312 -14.913  24.745  1.00 90.65           C  
+ATOM     83  C   VAL A  13     -20.510 -16.170  24.412  1.00 90.65           C  
+ATOM     84  CB  VAL A  13     -21.708 -14.914  26.238  1.00 90.65           C  
+ATOM     85  O   VAL A  13     -19.279 -16.130  24.352  1.00 90.65           O  
+ATOM     86  CG1 VAL A  13     -20.496 -15.214  27.118  1.00 90.65           C  
+ATOM     87  CG2 VAL A  13     -22.335 -13.575  26.624  1.00 90.65           C  
+ATOM     88  N   GLU A  14     -21.218 -17.308  24.201  1.00 91.99           N  
+ATOM     89  CA  GLU A  14     -20.551 -18.561  23.860  1.00 91.99           C  
+ATOM     90  C   GLU A  14     -19.824 -18.453  22.523  1.00 91.99           C  
+ATOM     91  CB  GLU A  14     -21.558 -19.714  23.821  1.00 91.99           C  
+ATOM     92  O   GLU A  14     -18.704 -18.946  22.377  1.00 91.99           O  
+ATOM     93  CG  GLU A  14     -21.972 -20.216  25.196  1.00 91.99           C  
+ATOM     94  CD  GLU A  14     -22.989 -21.344  25.142  1.00 91.99           C  
+ATOM     95  OE1 GLU A  14     -23.419 -21.826  26.214  1.00 91.99           O  
+ATOM     96  OE2 GLU A  14     -23.358 -21.751  24.017  1.00 91.99           O  
+ATOM     97  N   ARG A  15     -20.472 -17.813  21.621  1.00 90.38           N  
+ATOM     98  CA  ARG A  15     -19.850 -17.602  20.317  1.00 90.38           C  
+ATOM     99  C   ARG A  15     -18.584 -16.761  20.445  1.00 90.38           C  
+ATOM    100  CB  ARG A  15     -20.832 -16.929  19.356  1.00 90.38           C  
+ATOM    101  O   ARG A  15     -17.562 -17.071  19.830  1.00 90.38           O  
+ATOM    102  CG  ARG A  15     -20.328 -16.840  17.924  1.00 90.38           C  
+ATOM    103  CD  ARG A  15     -21.339 -16.160  17.011  1.00 90.38           C  
+ATOM    104  NE  ARG A  15     -22.675 -16.728  17.170  1.00 90.38           N  
+ATOM    105  NH1 ARG A  15     -23.590 -15.606  15.369  1.00 90.38           N  
+ATOM    106  NH2 ARG A  15     -24.885 -17.025  16.620  1.00 90.38           N  
+ATOM    107  CZ  ARG A  15     -23.714 -16.452  16.386  1.00 90.38           C  
+ATOM    108  N   SER A  16     -18.691 -15.711  21.166  1.00 92.54           N  
+ATOM    109  CA  SER A  16     -17.556 -14.822  21.396  1.00 92.54           C  
+ATOM    110  C   SER A  16     -16.402 -15.561  22.066  1.00 92.54           C  
+ATOM    111  CB  SER A  16     -17.975 -13.628  22.254  1.00 92.54           C  
+ATOM    112  O   SER A  16     -15.239 -15.354  21.715  1.00 92.54           O  
+ATOM    113  OG  SER A  16     -16.891 -12.731  22.431  1.00 92.54           O  
+ATOM    114  N   LYS A  17     -16.662 -16.421  23.027  1.00 93.71           N  
+ATOM    115  CA  LYS A  17     -15.634 -17.207  23.703  1.00 93.71           C  
+ATOM    116  C   LYS A  17     -14.939 -18.156  22.731  1.00 93.71           C  
+ATOM    117  CB  LYS A  17     -16.239 -17.996  24.865  1.00 93.71           C  
+ATOM    118  O   LYS A  17     -13.726 -18.358  22.812  1.00 93.71           O  
+ATOM    119  CG  LYS A  17     -16.546 -17.152  26.093  1.00 93.71           C  
+ATOM    120  CD  LYS A  17     -17.051 -18.009  27.248  1.00 93.71           C  
+ATOM    121  CE  LYS A  17     -17.374 -17.163  28.472  1.00 93.71           C  
+ATOM    122  NZ  LYS A  17     -17.936 -17.989  29.583  1.00 93.71           N  
+ATOM    123  N   MET A  18     -15.758 -18.747  21.862  1.00 92.68           N  
+ATOM    124  CA  MET A  18     -15.188 -19.631  20.850  1.00 92.68           C  
+ATOM    125  C   MET A  18     -14.234 -18.868  19.936  1.00 92.68           C  
+ATOM    126  CB  MET A  18     -16.294 -20.286  20.021  1.00 92.68           C  
+ATOM    127  O   MET A  18     -13.157 -19.364  19.603  1.00 92.68           O  
+ATOM    128  CG  MET A  18     -17.055 -21.372  20.764  1.00 92.68           C  
+ATOM    129  SD  MET A  18     -18.278 -22.228  19.697  1.00 92.68           S  
+ATOM    130  CE  MET A  18     -19.056 -23.323  20.917  1.00 92.68           C  
+ATOM    131  N   ILE A  19     -14.619 -17.674  19.558  1.00 92.18           N  
+ATOM    132  CA  ILE A  19     -13.784 -16.826  18.715  1.00 92.18           C  
+ATOM    133  C   ILE A  19     -12.489 -16.484  19.448  1.00 92.18           C  
+ATOM    134  CB  ILE A  19     -14.524 -15.534  18.302  1.00 92.18           C  
+ATOM    135  O   ILE A  19     -11.405 -16.529  18.861  1.00 92.18           O  
+ATOM    136  CG1 ILE A  19     -15.687 -15.863  17.360  1.00 92.18           C  
+ATOM    137  CG2 ILE A  19     -13.556 -14.541  17.652  1.00 92.18           C  
+ATOM    138  CD1 ILE A  19     -16.565 -14.666  17.020  1.00 92.18           C  
+ATOM    139  N   ASP A  20     -12.582 -16.206  20.709  1.00 93.00           N  
+ATOM    140  CA  ASP A  20     -11.400 -15.905  21.510  1.00 93.00           C  
+ATOM    141  C   ASP A  20     -10.439 -17.091  21.538  1.00 93.00           C  
+ATOM    142  CB  ASP A  20     -11.801 -15.520  22.936  1.00 93.00           C  
+ATOM    143  O   ASP A  20      -9.222 -16.913  21.446  1.00 93.00           O  
+ATOM    144  CG  ASP A  20     -12.267 -14.079  23.052  1.00 93.00           C  
+ATOM    145  OD1 ASP A  20     -11.880 -13.243  22.208  1.00 93.00           O  
+ATOM    146  OD2 ASP A  20     -13.025 -13.777  23.999  1.00 93.00           O  
+ATOM    147  N   ARG A  21     -10.998 -18.246  21.702  1.00 92.55           N  
+ATOM    148  CA  ARG A  21     -10.176 -19.452  21.701  1.00 92.55           C  
+ATOM    149  C   ARG A  21      -9.463 -19.628  20.365  1.00 92.55           C  
+ATOM    150  CB  ARG A  21     -11.030 -20.685  22.006  1.00 92.55           C  
+ATOM    151  O   ARG A  21      -8.265 -19.919  20.328  1.00 92.55           O  
+ATOM    152  CG  ARG A  21     -10.226 -21.965  22.169  1.00 92.55           C  
+ATOM    153  CD  ARG A  21     -11.126 -23.167  22.425  1.00 92.55           C  
+ATOM    154  NE  ARG A  21     -10.376 -24.419  22.388  1.00 92.55           N  
+ATOM    155  NH1 ARG A  21     -12.211 -25.769  22.767  1.00 92.55           N  
+ATOM    156  NH2 ARG A  21     -10.134 -26.700  22.498  1.00 92.55           N  
+ATOM    157  CZ  ARG A  21     -10.909 -25.627  22.551  1.00 92.55           C  
+ATOM    158  N   ASN A  22     -10.195 -19.385  19.271  1.00 91.00           N  
+ATOM    159  CA  ASN A  22      -9.609 -19.507  17.941  1.00 91.00           C  
+ATOM    160  C   ASN A  22      -8.503 -18.480  17.719  1.00 91.00           C  
+ATOM    161  CB  ASN A  22     -10.688 -19.366  16.865  1.00 91.00           C  
+ATOM    162  O   ASN A  22      -7.463 -18.796  17.138  1.00 91.00           O  
+ATOM    163  CG  ASN A  22     -11.614 -20.565  16.806  1.00 91.00           C  
+ATOM    164  ND2 ASN A  22     -12.760 -20.398  16.156  1.00 91.00           N  
+ATOM    165  OD1 ASN A  22     -11.303 -21.632  17.341  1.00 91.00           O  
+ATOM    166  N   LEU A  23      -8.745 -17.279  18.189  1.00 89.88           N  
+ATOM    167  CA  LEU A  23      -7.760 -16.211  18.052  1.00 89.88           C  
+ATOM    168  C   LEU A  23      -6.493 -16.537  18.837  1.00 89.88           C  
+ATOM    169  CB  LEU A  23      -8.342 -14.879  18.531  1.00 89.88           C  
+ATOM    170  O   LEU A  23      -5.384 -16.256  18.378  1.00 89.88           O  
+ATOM    171  CG  LEU A  23      -9.434 -14.262  17.655  1.00 89.88           C  
+ATOM    172  CD1 LEU A  23      -9.979 -12.994  18.303  1.00 89.88           C  
+ATOM    173  CD2 LEU A  23      -8.896 -13.967  16.259  1.00 89.88           C  
+ATOM    174  N   ARG A  24      -6.678 -17.103  20.006  1.00 89.20           N  
+ATOM    175  CA  ARG A  24      -5.534 -17.497  20.822  1.00 89.20           C  
+ATOM    176  C   ARG A  24      -4.712 -18.578  20.128  1.00 89.20           C  
+ATOM    177  CB  ARG A  24      -5.998 -17.992  22.194  1.00 89.20           C  
+ATOM    178  O   ARG A  24      -3.482 -18.510  20.105  1.00 89.20           O  
+ATOM    179  CG  ARG A  24      -4.862 -18.250  23.172  1.00 89.20           C  
+ATOM    180  CD  ARG A  24      -5.378 -18.723  24.524  1.00 89.20           C  
+ATOM    181  NE  ARG A  24      -4.287 -19.135  25.403  1.00 89.20           N  
+ATOM    182  NH1 ARG A  24      -5.648 -19.617  27.207  1.00 89.20           N  
+ATOM    183  NH2 ARG A  24      -3.379 -19.901  27.368  1.00 89.20           N  
+ATOM    184  CZ  ARG A  24      -4.441 -19.550  26.657  1.00 89.20           C  
+ATOM    185  N   GLU A  25      -5.397 -19.556  19.607  1.00 88.18           N  
+ATOM    186  CA  GLU A  25      -4.719 -20.614  18.864  1.00 88.18           C  
+ATOM    187  C   GLU A  25      -3.968 -20.049  17.662  1.00 88.18           C  
+ATOM    188  CB  GLU A  25      -5.721 -21.677  18.407  1.00 88.18           C  
+ATOM    189  O   GLU A  25      -2.831 -20.443  17.393  1.00 88.18           O  
+ATOM    190  CG  GLU A  25      -6.283 -22.520  19.542  1.00 88.18           C  
+ATOM    191  CD  GLU A  25      -7.348 -23.505  19.087  1.00 88.18           C  
+ATOM    192  OE1 GLU A  25      -7.895 -24.244  19.937  1.00 88.18           O  
+ATOM    193  OE2 GLU A  25      -7.637 -23.540  17.870  1.00 88.18           O  
+ATOM    194  N   ASP A  26      -4.628 -19.136  16.996  1.00 84.82           N  
+ATOM    195  CA  ASP A  26      -3.988 -18.480  15.860  1.00 84.82           C  
+ATOM    196  C   ASP A  26      -2.761 -17.687  16.303  1.00 84.82           C  
+ATOM    197  CB  ASP A  26      -4.979 -17.560  15.144  1.00 84.82           C  
+ATOM    198  O   ASP A  26      -1.748 -17.658  15.603  1.00 84.82           O  
+ATOM    199  CG  ASP A  26      -6.028 -18.320  14.352  1.00 84.82           C  
+ATOM    200  OD1 ASP A  26      -5.888 -19.549  14.176  1.00 84.82           O  
+ATOM    201  OD2 ASP A  26      -7.003 -17.683  13.897  1.00 84.82           O  
+ATOM    202  N   GLY A  27      -2.909 -17.041  17.416  1.00 82.37           N  
+ATOM    203  CA  GLY A  27      -1.782 -16.308  17.969  1.00 82.37           C  
+ATOM    204  C   GLY A  27      -0.591 -17.193  18.285  1.00 82.37           C  
+ATOM    205  O   GLY A  27       0.553 -16.827  18.007  1.00 82.37           O  
+ATOM    206  N   GLU A  28      -0.838 -18.345  18.834  1.00 80.20           N  
+ATOM    207  CA  GLU A  28       0.225 -19.296  19.145  1.00 80.20           C  
+ATOM    208  C   GLU A  28       0.892 -19.814  17.874  1.00 80.20           C  
+ATOM    209  CB  GLU A  28      -0.324 -20.466  19.966  1.00 80.20           C  
+ATOM    210  O   GLU A  28       2.114 -19.964  17.825  1.00 80.20           O  
+ATOM    211  CG  GLU A  28      -0.716 -20.090  21.387  1.00 80.20           C  
+ATOM    212  CD  GLU A  28      -1.350 -21.237  22.158  1.00 80.20           C  
+ATOM    213  OE1 GLU A  28      -1.682 -21.056  23.351  1.00 80.20           O  
+ATOM    214  OE2 GLU A  28      -1.515 -22.326  21.564  1.00 80.20           O  
+ATOM    215  N   LYS A  29       0.062 -20.076  16.931  1.00 79.01           N  
+ATOM    216  CA  LYS A  29       0.584 -20.505  15.637  1.00 79.01           C  
+ATOM    217  C   LYS A  29       1.448 -19.417  15.005  1.00 79.01           C  
+ATOM    218  CB  LYS A  29      -0.560 -20.879  14.693  1.00 79.01           C  
+ATOM    219  O   LYS A  29       2.514 -19.704  14.457  1.00 79.01           O  
+ATOM    220  CG  LYS A  29      -0.107 -21.576  13.418  1.00 79.01           C  
+ATOM    221  CD  LYS A  29      -1.293 -21.980  12.551  1.00 79.01           C  
+ATOM    222  CE  LYS A  29      -0.840 -22.596  11.235  1.00 79.01           C  
+ATOM    223  NZ  LYS A  29      -1.999 -22.979  10.374  1.00 79.01           N  
+ATOM    224  N   ALA A  30       0.975 -18.186  15.120  1.00 74.35           N  
+ATOM    225  CA  ALA A  30       1.699 -17.046  14.564  1.00 74.35           C  
+ATOM    226  C   ALA A  30       3.045 -16.860  15.259  1.00 74.35           C  
+ATOM    227  CB  ALA A  30       0.863 -15.774  14.683  1.00 74.35           C  
+ATOM    228  O   ALA A  30       4.020 -16.434  14.634  1.00 74.35           O  
+ATOM    229  N   ALA A  31       3.080 -17.160  16.512  1.00 72.98           N  
+ATOM    230  CA  ALA A  31       4.304 -17.014  17.296  1.00 72.98           C  
+ATOM    231  C   ALA A  31       5.367 -18.010  16.843  1.00 72.98           C  
+ATOM    232  CB  ALA A  31       4.007 -17.197  18.783  1.00 72.98           C  
+ATOM    233  O   ALA A  31       6.566 -17.758  16.990  1.00 72.98           O  
+ATOM    234  N   ARG A  32       4.927 -19.101  16.209  1.00 76.27           N  
+ATOM    235  CA  ARG A  32       5.871 -20.116  15.754  1.00 76.27           C  
+ATOM    236  C   ARG A  32       6.285 -19.870  14.307  1.00 76.27           C  
+ATOM    237  CB  ARG A  32       5.266 -21.515  15.895  1.00 76.27           C  
+ATOM    238  O   ARG A  32       7.179 -20.542  13.788  1.00 76.27           O  
+ATOM    239  CG  ARG A  32       5.111 -21.977  17.335  1.00 76.27           C  
+ATOM    240  CD  ARG A  32       4.509 -23.373  17.417  1.00 76.27           C  
+ATOM    241  NE  ARG A  32       4.262 -23.772  18.800  1.00 76.27           N  
+ATOM    242  NH1 ARG A  32       3.397 -25.846  18.264  1.00 76.27           N  
+ATOM    243  NH2 ARG A  32       3.557 -25.198  20.457  1.00 76.27           N  
+ATOM    244  CZ  ARG A  32       3.739 -24.938  19.170  1.00 76.27           C  
+ATOM    245  N   GLU A  33       5.679 -18.851  13.726  1.00 83.61           N  
+ATOM    246  CA  GLU A  33       5.902 -18.558  12.314  1.00 83.61           C  
+ATOM    247  C   GLU A  33       7.123 -17.663  12.122  1.00 83.61           C  
+ATOM    248  CB  GLU A  33       4.665 -17.900  11.698  1.00 83.61           C  
+ATOM    249  O   GLU A  33       7.382 -16.775  12.937  1.00 83.61           O  
+ATOM    250  CG  GLU A  33       3.532 -18.873  11.406  1.00 83.61           C  
+ATOM    251  CD  GLU A  33       2.319 -18.209  10.774  1.00 83.61           C  
+ATOM    252  OE1 GLU A  33       1.329 -18.914  10.473  1.00 83.61           O  
+ATOM    253  OE2 GLU A  33       2.359 -16.974  10.578  1.00 83.61           O  
+ATOM    254  N   VAL A  34       7.932 -17.951  11.121  1.00 89.59           N  
+ATOM    255  CA  VAL A  34       9.090 -17.147  10.745  1.00 89.59           C  
+ATOM    256  C   VAL A  34       8.708 -16.183   9.624  1.00 89.59           C  
+ATOM    257  CB  VAL A  34      10.278 -18.032  10.305  1.00 89.59           C  
+ATOM    258  O   VAL A  34       8.313 -16.611   8.536  1.00 89.59           O  
+ATOM    259  CG1 VAL A  34      11.475 -17.171   9.906  1.00 89.59           C  
+ATOM    260  CG2 VAL A  34      10.661 -19.002  11.421  1.00 89.59           C  
+ATOM    261  N   LYS A  35       8.791 -14.897   9.940  1.00 90.98           N  
+ATOM    262  CA  LYS A  35       8.460 -13.857   8.970  1.00 90.98           C  
+ATOM    263  C   LYS A  35       9.710 -13.352   8.257  1.00 90.98           C  
+ATOM    264  CB  LYS A  35       7.741 -12.694   9.655  1.00 90.98           C  
+ATOM    265  O   LYS A  35      10.605 -12.785   8.887  1.00 90.98           O  
+ATOM    266  CG  LYS A  35       7.184 -11.656   8.690  1.00 90.98           C  
+ATOM    267  CD  LYS A  35       6.412 -10.568   9.424  1.00 90.98           C  
+ATOM    268  CE  LYS A  35       5.911  -9.494   8.468  1.00 90.98           C  
+ATOM    269  NZ  LYS A  35       5.185  -8.406   9.188  1.00 90.98           N  
+ATOM    270  N   LEU A  36       9.763 -13.628   6.898  1.00 94.10           N  
+ATOM    271  CA  LEU A  36      10.878 -13.182   6.070  1.00 94.10           C  
+ATOM    272  C   LEU A  36      10.476 -11.985   5.214  1.00 94.10           C  
+ATOM    273  CB  LEU A  36      11.370 -14.322   5.174  1.00 94.10           C  
+ATOM    274  O   LEU A  36       9.476 -12.040   4.495  1.00 94.10           O  
+ATOM    275  CG  LEU A  36      11.915 -15.559   5.889  1.00 94.10           C  
+ATOM    276  CD1 LEU A  36      12.297 -16.632   4.875  1.00 94.10           C  
+ATOM    277  CD2 LEU A  36      13.111 -15.190   6.761  1.00 94.10           C  
+ATOM    278  N   LEU A  37      11.223 -10.913   5.344  1.00 95.60           N  
+ATOM    279  CA  LEU A  37      10.979  -9.711   4.555  1.00 95.60           C  
+ATOM    280  C   LEU A  37      12.049  -9.539   3.482  1.00 95.60           C  
+ATOM    281  CB  LEU A  37      10.941  -8.476   5.458  1.00 95.60           C  
+ATOM    282  O   LEU A  37      13.239  -9.455   3.794  1.00 95.60           O  
+ATOM    283  CG  LEU A  37      10.687  -7.136   4.764  1.00 95.60           C  
+ATOM    284  CD1 LEU A  37       9.333  -7.151   4.062  1.00 95.60           C  
+ATOM    285  CD2 LEU A  37      10.762  -5.991   5.768  1.00 95.60           C  
+ATOM    286  N   LEU A  38      11.566  -9.520   2.175  1.00 96.45           N  
+ATOM    287  CA  LEU A  38      12.483  -9.315   1.059  1.00 96.45           C  
+ATOM    288  C   LEU A  38      12.541  -7.842   0.667  1.00 96.45           C  
+ATOM    289  CB  LEU A  38      12.058 -10.159  -0.145  1.00 96.45           C  
+ATOM    290  O   LEU A  38      11.519  -7.247   0.318  1.00 96.45           O  
+ATOM    291  CG  LEU A  38      12.157 -11.676   0.021  1.00 96.45           C  
+ATOM    292  CD1 LEU A  38      11.410 -12.383  -1.105  1.00 96.45           C  
+ATOM    293  CD2 LEU A  38      13.617 -12.116   0.060  1.00 96.45           C  
+ATOM    294  N   LEU A  39      13.712  -7.259   0.812  1.00 96.34           N  
+ATOM    295  CA  LEU A  39      13.910  -5.855   0.469  1.00 96.34           C  
+ATOM    296  C   LEU A  39      15.009  -5.702  -0.577  1.00 96.34           C  
+ATOM    297  CB  LEU A  39      14.261  -5.043   1.718  1.00 96.34           C  
+ATOM    298  O   LEU A  39      15.829  -6.605  -0.760  1.00 96.34           O  
+ATOM    299  CG  LEU A  39      13.189  -4.976   2.807  1.00 96.34           C  
+ATOM    300  CD1 LEU A  39      13.745  -4.303   4.057  1.00 96.34           C  
+ATOM    301  CD2 LEU A  39      11.956  -4.236   2.299  1.00 96.34           C  
+ATOM    302  N   GLY A  40      14.992  -4.649  -1.354  1.00 95.00           N  
+ATOM    303  CA  GLY A  40      15.995  -4.311  -2.351  1.00 95.00           C  
+ATOM    304  C   GLY A  40      15.471  -3.390  -3.436  1.00 95.00           C  
+ATOM    305  O   GLY A  40      14.268  -3.136  -3.515  1.00 95.00           O  
+ATOM    306  N   ALA A  41      16.362  -2.881  -4.165  1.00 93.42           N  
+ATOM    307  CA  ALA A  41      15.990  -2.015  -5.281  1.00 93.42           C  
+ATOM    308  C   ALA A  41      15.233  -2.795  -6.352  1.00 93.42           C  
+ATOM    309  CB  ALA A  41      17.231  -1.358  -5.881  1.00 93.42           C  
+ATOM    310  O   ALA A  41      15.261  -4.028  -6.367  1.00 93.42           O  
+ATOM    311  N   GLY A  42      14.475  -2.077  -7.146  1.00 89.88           N  
+ATOM    312  CA  GLY A  42      13.779  -2.729  -8.244  1.00 89.88           C  
+ATOM    313  C   GLY A  42      14.700  -3.545  -9.131  1.00 89.88           C  
+ATOM    314  O   GLY A  42      15.849  -3.163  -9.361  1.00 89.88           O  
+ATOM    315  N   GLU A  43      14.299  -4.736  -9.467  1.00 90.81           N  
+ATOM    316  CA  GLU A  43      14.971  -5.626 -10.409  1.00 90.81           C  
+ATOM    317  C   GLU A  43      16.183  -6.295  -9.768  1.00 90.81           C  
+ATOM    318  CB  GLU A  43      15.397  -4.858 -11.664  1.00 90.81           C  
+ATOM    319  O   GLU A  43      17.163  -6.602 -10.450  1.00 90.81           O  
+ATOM    320  CG  GLU A  43      14.231  -4.336 -12.491  1.00 90.81           C  
+ATOM    321  CD  GLU A  43      14.666  -3.664 -13.783  1.00 90.81           C  
+ATOM    322  OE1 GLU A  43      13.801  -3.110 -14.499  1.00 90.81           O  
+ATOM    323  OE2 GLU A  43      15.880  -3.693 -14.083  1.00 90.81           O  
+ATOM    324  N   SER A  44      16.248  -6.385  -8.494  1.00 94.64           N  
+ATOM    325  CA  SER A  44      17.364  -6.991  -7.776  1.00 94.64           C  
+ATOM    326  C   SER A  44      17.224  -8.508  -7.716  1.00 94.64           C  
+ATOM    327  CB  SER A  44      17.463  -6.423  -6.360  1.00 94.64           C  
+ATOM    328  O   SER A  44      18.180  -9.212  -7.383  1.00 94.64           O  
+ATOM    329  OG  SER A  44      16.249  -6.618  -5.654  1.00 94.64           O  
+ATOM    330  N   GLY A  45      16.012  -9.066  -7.990  1.00 93.86           N  
+ATOM    331  CA  GLY A  45      15.786 -10.502  -8.013  1.00 93.86           C  
+ATOM    332  C   GLY A  45      14.972 -10.998  -6.833  1.00 93.86           C  
+ATOM    333  O   GLY A  45      15.034 -12.177  -6.481  1.00 93.86           O  
+ATOM    334  N   LYS A  46      14.223 -10.125  -6.128  1.00 95.30           N  
+ATOM    335  CA  LYS A  46      13.416 -10.463  -4.959  1.00 95.30           C  
+ATOM    336  C   LYS A  46      12.271 -11.399  -5.333  1.00 95.30           C  
+ATOM    337  CB  LYS A  46      12.865  -9.197  -4.302  1.00 95.30           C  
+ATOM    338  O   LYS A  46      12.098 -12.454  -4.718  1.00 95.30           O  
+ATOM    339  CG  LYS A  46      13.938  -8.234  -3.815  1.00 95.30           C  
+ATOM    340  CD  LYS A  46      13.329  -7.022  -3.121  1.00 95.30           C  
+ATOM    341  CE  LYS A  46      12.481  -6.196  -4.078  1.00 95.30           C  
+ATOM    342  NZ  LYS A  46      13.308  -5.575  -5.156  1.00 95.30           N  
+ATOM    343  N   SER A  47      11.557 -11.034  -6.397  1.00 94.82           N  
+ATOM    344  CA  SER A  47      10.393 -11.810  -6.815  1.00 94.82           C  
+ATOM    345  C   SER A  47      10.802 -13.183  -7.337  1.00 94.82           C  
+ATOM    346  CB  SER A  47       9.608 -11.059  -7.892  1.00 94.82           C  
+ATOM    347  O   SER A  47      10.057 -14.154  -7.195  1.00 94.82           O  
+ATOM    348  OG  SER A  47       9.080  -9.849  -7.377  1.00 94.82           O  
+ATOM    349  N   THR A  48      12.009 -13.181  -7.892  1.00 95.28           N  
+ATOM    350  CA  THR A  48      12.529 -14.447  -8.396  1.00 95.28           C  
+ATOM    351  C   THR A  48      12.827 -15.405  -7.246  1.00 95.28           C  
+ATOM    352  CB  THR A  48      13.803 -14.234  -9.233  1.00 95.28           C  
+ATOM    353  O   THR A  48      12.581 -16.608  -7.354  1.00 95.28           O  
+ATOM    354  CG2 THR A  48      14.244 -15.530  -9.905  1.00 95.28           C  
+ATOM    355  OG1 THR A  48      13.546 -13.249 -10.242  1.00 95.28           O  
+ATOM    356  N   ILE A  49      13.303 -14.902  -6.153  1.00 95.53           N  
+ATOM    357  CA  ILE A  49      13.566 -15.703  -4.962  1.00 95.53           C  
+ATOM    358  C   ILE A  49      12.257 -16.283  -4.431  1.00 95.53           C  
+ATOM    359  CB  ILE A  49      14.268 -14.871  -3.865  1.00 95.53           C  
+ATOM    360  O   ILE A  49      12.209 -17.441  -4.010  1.00 95.53           O  
+ATOM    361  CG1 ILE A  49      15.679 -14.476  -4.316  1.00 95.53           C  
+ATOM    362  CG2 ILE A  49      14.311 -15.646  -2.545  1.00 95.53           C  
+ATOM    363  CD1 ILE A  49      16.605 -15.660  -4.559  1.00 95.53           C  
+ATOM    364  N   VAL A  50      11.227 -15.503  -4.467  1.00 94.36           N  
+ATOM    365  CA  VAL A  50       9.915 -15.962  -4.024  1.00 94.36           C  
+ATOM    366  C   VAL A  50       9.444 -17.114  -4.908  1.00 94.36           C  
+ATOM    367  CB  VAL A  50       8.877 -14.817  -4.044  1.00 94.36           C  
+ATOM    368  O   VAL A  50       8.953 -18.129  -4.408  1.00 94.36           O  
+ATOM    369  CG1 VAL A  50       7.475 -15.353  -3.762  1.00 94.36           C  
+ATOM    370  CG2 VAL A  50       9.254 -13.739  -3.029  1.00 94.36           C  
+ATOM    371  N   LYS A  51       9.579 -16.972  -6.187  1.00 94.67           N  
+ATOM    372  CA  LYS A  51       9.206 -18.031  -7.119  1.00 94.67           C  
+ATOM    373  C   LYS A  51       9.993 -19.309  -6.842  1.00 94.67           C  
+ATOM    374  CB  LYS A  51       9.430 -17.580  -8.563  1.00 94.67           C  
+ATOM    375  O   LYS A  51       9.452 -20.412  -6.946  1.00 94.67           O  
+ATOM    376  CG  LYS A  51       8.439 -16.530  -9.044  1.00 94.67           C  
+ATOM    377  CD  LYS A  51       8.775 -16.048 -10.449  1.00 94.67           C  
+ATOM    378  CE  LYS A  51       7.866 -14.904 -10.880  1.00 94.67           C  
+ATOM    379  NZ  LYS A  51       8.289 -14.325 -12.191  1.00 94.67           N  
+ATOM    380  N   GLN A  52      11.233 -19.096  -6.417  1.00 95.02           N  
+ATOM    381  CA  GLN A  52      12.087 -20.243  -6.127  1.00 95.02           C  
+ATOM    382  C   GLN A  52      11.576 -21.015  -4.913  1.00 95.02           C  
+ATOM    383  CB  GLN A  52      13.530 -19.795  -5.895  1.00 95.02           C  
+ATOM    384  O   GLN A  52      11.674 -22.243  -4.865  1.00 95.02           O  
+ATOM    385  CG  GLN A  52      14.255 -19.373  -7.166  1.00 95.02           C  
+ATOM    386  CD  GLN A  52      14.617 -20.549  -8.053  1.00 95.02           C  
+ATOM    387  NE2 GLN A  52      15.561 -20.336  -8.964  1.00 95.02           N  
+ATOM    388  OE1 GLN A  52      14.054 -21.640  -7.920  1.00 95.02           O  
+ATOM    389  N   MET A  53      11.025 -20.275  -3.989  1.00 93.68           N  
+ATOM    390  CA  MET A  53      10.508 -20.931  -2.791  1.00 93.68           C  
+ATOM    391  C   MET A  53       9.344 -21.854  -3.136  1.00 93.68           C  
+ATOM    392  CB  MET A  53      10.066 -19.894  -1.758  1.00 93.68           C  
+ATOM    393  O   MET A  53       9.193 -22.920  -2.537  1.00 93.68           O  
+ATOM    394  CG  MET A  53      11.210 -19.075  -1.182  1.00 93.68           C  
+ATOM    395  SD  MET A  53      12.486 -20.120  -0.377  1.00 93.68           S  
+ATOM    396  CE  MET A  53      13.748 -20.144  -1.680  1.00 93.68           C  
+ATOM    397  N   LYS A  54       8.619 -21.411  -4.083  1.00 92.03           N  
+ATOM    398  CA  LYS A  54       7.511 -22.243  -4.543  1.00 92.03           C  
+ATOM    399  C   LYS A  54       8.020 -23.513  -5.219  1.00 92.03           C  
+ATOM    400  CB  LYS A  54       6.615 -21.460  -5.504  1.00 92.03           C  
+ATOM    401  O   LYS A  54       7.483 -24.600  -4.994  1.00 92.03           O  
+ATOM    402  CG  LYS A  54       5.346 -22.197  -5.906  1.00 92.03           C  
+ATOM    403  CD  LYS A  54       4.408 -21.300  -6.704  1.00 92.03           C  
+ATOM    404  CE  LYS A  54       3.161 -22.052  -7.152  1.00 92.03           C  
+ATOM    405  NZ  LYS A  54       2.184 -21.149  -7.829  1.00 92.03           N  
+ATOM    406  N   ILE A  55       9.112 -23.396  -5.958  1.00 92.94           N  
+ATOM    407  CA  ILE A  55       9.692 -24.520  -6.685  1.00 92.94           C  
+ATOM    408  C   ILE A  55      10.389 -25.463  -5.707  1.00 92.94           C  
+ATOM    409  CB  ILE A  55      10.686 -24.041  -7.767  1.00 92.94           C  
+ATOM    410  O   ILE A  55      10.223 -26.682  -5.785  1.00 92.94           O  
+ATOM    411  CG1 ILE A  55       9.950 -23.251  -8.856  1.00 92.94           C  
+ATOM    412  CG2 ILE A  55      11.443 -25.228  -8.369  1.00 92.94           C  
+ATOM    413  CD1 ILE A  55      10.871 -22.596  -9.875  1.00 92.94           C  
+ATOM    414  N   ILE A  56      11.080 -24.957  -4.761  1.00 92.87           N  
+ATOM    415  CA  ILE A  56      11.948 -25.740  -3.889  1.00 92.87           C  
+ATOM    416  C   ILE A  56      11.125 -26.353  -2.757  1.00 92.87           C  
+ATOM    417  CB  ILE A  56      13.095 -24.881  -3.313  1.00 92.87           C  
+ATOM    418  O   ILE A  56      11.302 -27.525  -2.418  1.00 92.87           O  
+ATOM    419  CG1 ILE A  56      14.027 -24.413  -4.437  1.00 92.87           C  
+ATOM    420  CG2 ILE A  56      13.871 -25.659  -2.247  1.00 92.87           C  
+ATOM    421  CD1 ILE A  56      15.038 -23.360  -4.004  1.00 92.87           C  
+ATOM    422  N   HIS A  57      10.205 -25.642  -2.201  1.00 89.98           N  
+ATOM    423  CA  HIS A  57       9.599 -26.077  -0.948  1.00 89.98           C  
+ATOM    424  C   HIS A  57       8.125 -26.421  -1.138  1.00 89.98           C  
+ATOM    425  CB  HIS A  57       9.752 -24.997   0.124  1.00 89.98           C  
+ATOM    426  O   HIS A  57       7.483 -26.945  -0.225  1.00 89.98           O  
+ATOM    427  CG  HIS A  57      11.173 -24.720   0.499  1.00 89.98           C  
+ATOM    428  CD2 HIS A  57      11.896 -23.576   0.459  1.00 89.98           C  
+ATOM    429  ND1 HIS A  57      12.019 -25.696   0.980  1.00 89.98           N  
+ATOM    430  CE1 HIS A  57      13.205 -25.161   1.222  1.00 89.98           C  
+ATOM    431  NE2 HIS A  57      13.156 -23.877   0.913  1.00 89.98           N  
+ATOM    432  N   GLU A  58       7.599 -26.183  -2.279  1.00 88.71           N  
+ATOM    433  CA  GLU A  58       6.226 -26.591  -2.565  1.00 88.71           C  
+ATOM    434  C   GLU A  58       6.172 -27.556  -3.746  1.00 88.71           C  
+ATOM    435  CB  GLU A  58       5.348 -25.369  -2.844  1.00 88.71           C  
+ATOM    436  O   GLU A  58       6.951 -28.509  -3.811  1.00 88.71           O  
+ATOM    437  CG  GLU A  58       5.137 -24.473  -1.631  1.00 88.71           C  
+ATOM    438  CD  GLU A  58       4.121 -23.368  -1.871  1.00 88.71           C  
+ATOM    439  OE1 GLU A  58       3.909 -22.532  -0.964  1.00 88.71           O  
+ATOM    440  OE2 GLU A  58       3.532 -23.339  -2.975  1.00 88.71           O  
+ATOM    441  N   ALA A  59       5.105 -27.445  -4.630  1.00 88.45           N  
+ATOM    442  CA  ALA A  59       4.945 -28.406  -5.719  1.00 88.45           C  
+ATOM    443  C   ALA A  59       5.408 -27.813  -7.046  1.00 88.45           C  
+ATOM    444  CB  ALA A  59       3.490 -28.857  -5.820  1.00 88.45           C  
+ATOM    445  O   ALA A  59       5.255 -28.437  -8.099  1.00 88.45           O  
+ATOM    446  N   GLY A  60       6.075 -26.657  -6.908  1.00 90.45           N  
+ATOM    447  CA  GLY A  60       6.434 -25.991  -8.149  1.00 90.45           C  
+ATOM    448  C   GLY A  60       5.230 -25.508  -8.937  1.00 90.45           C  
+ATOM    449  O   GLY A  60       4.133 -25.383  -8.389  1.00 90.45           O  
+ATOM    450  N   TYR A  61       5.464 -25.129 -10.171  1.00 92.55           N  
+ATOM    451  CA  TYR A  61       4.390 -24.619 -11.016  1.00 92.55           C  
+ATOM    452  C   TYR A  61       3.780 -25.736 -11.855  1.00 92.55           C  
+ATOM    453  CB  TYR A  61       4.908 -23.504 -11.930  1.00 92.55           C  
+ATOM    454  O   TYR A  61       4.495 -26.460 -12.551  1.00 92.55           O  
+ATOM    455  CG  TYR A  61       5.312 -22.252 -11.190  1.00 92.55           C  
+ATOM    456  CD1 TYR A  61       4.381 -21.253 -10.912  1.00 92.55           C  
+ATOM    457  CD2 TYR A  61       6.623 -22.064 -10.768  1.00 92.55           C  
+ATOM    458  CE1 TYR A  61       4.748 -20.096 -10.232  1.00 92.55           C  
+ATOM    459  CE2 TYR A  61       7.002 -20.911 -10.088  1.00 92.55           C  
+ATOM    460  OH  TYR A  61       6.428 -18.792  -9.151  1.00 92.55           O  
+ATOM    461  CZ  TYR A  61       6.059 -19.935  -9.825  1.00 92.55           C  
+ATOM    462  N   SER A  62       2.421 -25.909 -11.674  1.00 92.07           N  
+ATOM    463  CA  SER A  62       1.706 -26.871 -12.507  1.00 92.07           C  
+ATOM    464  C   SER A  62       1.674 -26.425 -13.964  1.00 92.07           C  
+ATOM    465  CB  SER A  62       0.278 -27.068 -11.994  1.00 92.07           C  
+ATOM    466  O   SER A  62       1.981 -25.272 -14.273  1.00 92.07           O  
+ATOM    467  OG  SER A  62      -0.493 -25.895 -12.192  1.00 92.07           O  
+ATOM    468  N   GLU A  63       1.351 -27.283 -14.871  1.00 91.71           N  
+ATOM    469  CA  GLU A  63       1.253 -26.948 -16.289  1.00 91.71           C  
+ATOM    470  C   GLU A  63       0.245 -25.826 -16.522  1.00 91.71           C  
+ATOM    471  CB  GLU A  63       0.865 -28.183 -17.107  1.00 91.71           C  
+ATOM    472  O   GLU A  63       0.479 -24.936 -17.342  1.00 91.71           O  
+ATOM    473  CG  GLU A  63       0.945 -27.973 -18.612  1.00 91.71           C  
+ATOM    474  CD  GLU A  63       0.655 -29.234 -19.410  1.00 91.71           C  
+ATOM    475  OE1 GLU A  63       0.424 -29.137 -20.636  1.00 91.71           O  
+ATOM    476  OE2 GLU A  63       0.658 -30.329 -18.803  1.00 91.71           O  
+ATOM    477  N   GLU A  64      -0.871 -25.903 -15.780  1.00 90.49           N  
+ATOM    478  CA  GLU A  64      -1.914 -24.888 -15.896  1.00 90.49           C  
+ATOM    479  C   GLU A  64      -1.405 -23.521 -15.451  1.00 90.49           C  
+ATOM    480  CB  GLU A  64      -3.144 -25.285 -15.076  1.00 90.49           C  
+ATOM    481  O   GLU A  64      -1.681 -22.509 -16.098  1.00 90.49           O  
+ATOM    482  CG  GLU A  64      -4.387 -24.468 -15.398  1.00 90.49           C  
+ATOM    483  CD  GLU A  64      -4.794 -24.547 -16.861  1.00 90.49           C  
+ATOM    484  OE1 GLU A  64      -5.417 -23.588 -17.370  1.00 90.49           O  
+ATOM    485  OE2 GLU A  64      -4.488 -25.576 -17.503  1.00 90.49           O  
+ATOM    486  N   GLU A  65      -0.633 -23.514 -14.343  1.00 91.12           N  
+ATOM    487  CA  GLU A  65      -0.058 -22.269 -13.842  1.00 91.12           C  
+ATOM    488  C   GLU A  65       0.975 -21.708 -14.814  1.00 91.12           C  
+ATOM    489  CB  GLU A  65       0.577 -22.486 -12.466  1.00 91.12           C  
+ATOM    490  O   GLU A  65       1.051 -20.494 -15.015  1.00 91.12           O  
+ATOM    491  CG  GLU A  65      -0.433 -22.708 -11.350  1.00 91.12           C  
+ATOM    492  CD  GLU A  65       0.212 -23.049 -10.016  1.00 91.12           C  
+ATOM    493  OE1 GLU A  65      -0.260 -22.550  -8.969  1.00 91.12           O  
+ATOM    494  OE2 GLU A  65       1.197 -23.820 -10.018  1.00 91.12           O  
+ATOM    495  N   CYS A  66       1.724 -22.578 -15.356  1.00 93.47           N  
+ATOM    496  CA  CYS A  66       2.739 -22.180 -16.325  1.00 93.47           C  
+ATOM    497  C   CYS A  66       2.100 -21.558 -17.561  1.00 93.47           C  
+ATOM    498  CB  CYS A  66       3.592 -23.381 -16.731  1.00 93.47           C  
+ATOM    499  O   CYS A  66       2.647 -20.620 -18.143  1.00 93.47           O  
+ATOM    500  SG  CYS A  66       4.753 -23.914 -15.454  1.00 93.47           S  
+ATOM    501  N   LYS A  67       0.910 -22.043 -17.948  1.00 92.45           N  
+ATOM    502  CA  LYS A  67       0.191 -21.532 -19.112  1.00 92.45           C  
+ATOM    503  C   LYS A  67      -0.210 -20.073 -18.914  1.00 92.45           C  
+ATOM    504  CB  LYS A  67      -1.049 -22.383 -19.392  1.00 92.45           C  
+ATOM    505  O   LYS A  67      -0.268 -19.304 -19.875  1.00 92.45           O  
+ATOM    506  CG  LYS A  67      -0.750 -23.701 -20.092  1.00 92.45           C  
+ATOM    507  CD  LYS A  67      -2.028 -24.465 -20.413  1.00 92.45           C  
+ATOM    508  CE  LYS A  67      -1.727 -25.815 -21.051  1.00 92.45           C  
+ATOM    509  NZ  LYS A  67      -2.974 -26.600 -21.300  1.00 92.45           N  
+ATOM    510  N   GLN A  68      -0.409 -19.738 -17.675  1.00 91.54           N  
+ATOM    511  CA  GLN A  68      -0.837 -18.379 -17.358  1.00 91.54           C  
+ATOM    512  C   GLN A  68       0.299 -17.382 -17.568  1.00 91.54           C  
+ATOM    513  CB  GLN A  68      -1.347 -18.298 -15.919  1.00 91.54           C  
+ATOM    514  O   GLN A  68       0.057 -16.186 -17.744  1.00 91.54           O  
+ATOM    515  CG  GLN A  68      -2.637 -19.071 -15.679  1.00 91.54           C  
+ATOM    516  CD  GLN A  68      -3.058 -19.073 -14.221  1.00 91.54           C  
+ATOM    517  NE2 GLN A  68      -4.226 -19.641 -13.942  1.00 91.54           N  
+ATOM    518  OE1 GLN A  68      -2.339 -18.569 -13.353  1.00 91.54           O  
+ATOM    519  N   TYR A  69       1.507 -17.919 -17.623  1.00 93.57           N  
+ATOM    520  CA  TYR A  69       2.671 -17.049 -17.752  1.00 93.57           C  
+ATOM    521  C   TYR A  69       3.046 -16.853 -19.216  1.00 93.57           C  
+ATOM    522  CB  TYR A  69       3.862 -17.625 -16.980  1.00 93.57           C  
+ATOM    523  O   TYR A  69       3.977 -16.107 -19.530  1.00 93.57           O  
+ATOM    524  CG  TYR A  69       3.827 -17.328 -15.500  1.00 93.57           C  
+ATOM    525  CD1 TYR A  69       4.367 -16.148 -14.994  1.00 93.57           C  
+ATOM    526  CD2 TYR A  69       3.257 -18.227 -14.606  1.00 93.57           C  
+ATOM    527  CE1 TYR A  69       4.339 -15.871 -13.631  1.00 93.57           C  
+ATOM    528  CE2 TYR A  69       3.224 -17.961 -13.241  1.00 93.57           C  
+ATOM    529  OH  TYR A  69       3.736 -16.513 -11.414  1.00 93.57           O  
+ATOM    530  CZ  TYR A  69       3.766 -16.782 -12.764  1.00 93.57           C  
+ATOM    531  N   LYS A  70       2.330 -17.535 -20.016  1.00 92.67           N  
+ATOM    532  CA  LYS A  70       2.588 -17.465 -21.452  1.00 92.67           C  
+ATOM    533  C   LYS A  70       2.482 -16.030 -21.960  1.00 92.67           C  
+ATOM    534  CB  LYS A  70       1.616 -18.365 -22.216  1.00 92.67           C  
+ATOM    535  O   LYS A  70       3.367 -15.551 -22.672  1.00 92.67           O  
+ATOM    536  CG  LYS A  70       1.938 -18.506 -23.697  1.00 92.67           C  
+ATOM    537  CD  LYS A  70       0.985 -19.475 -24.386  1.00 92.67           C  
+ATOM    538  CE  LYS A  70       1.295 -19.604 -25.871  1.00 92.67           C  
+ATOM    539  NZ  LYS A  70       0.390 -20.584 -26.543  1.00 92.67           N  
+ATOM    540  N   ALA A  71       1.495 -15.360 -21.634  1.00 91.53           N  
+ATOM    541  CA  ALA A  71       1.262 -13.984 -22.066  1.00 91.53           C  
+ATOM    542  C   ALA A  71       2.369 -13.058 -21.569  1.00 91.53           C  
+ATOM    543  CB  ALA A  71      -0.098 -13.495 -21.574  1.00 91.53           C  
+ATOM    544  O   ALA A  71       2.814 -12.167 -22.296  1.00 91.53           O  
+ATOM    545  N   VAL A  72       2.814 -13.366 -20.411  1.00 93.29           N  
+ATOM    546  CA  VAL A  72       3.845 -12.536 -19.797  1.00 93.29           C  
+ATOM    547  C   VAL A  72       5.174 -12.741 -20.522  1.00 93.29           C  
+ATOM    548  CB  VAL A  72       4.006 -12.849 -18.293  1.00 93.29           C  
+ATOM    549  O   VAL A  72       5.891 -11.778 -20.801  1.00 93.29           O  
+ATOM    550  CG1 VAL A  72       5.071 -11.952 -17.665  1.00 93.29           C  
+ATOM    551  CG2 VAL A  72       2.670 -12.685 -17.569  1.00 93.29           C  
+ATOM    552  N   VAL A  73       5.485 -13.963 -20.788  1.00 95.07           N  
+ATOM    553  CA  VAL A  73       6.713 -14.295 -21.502  1.00 95.07           C  
+ATOM    554  C   VAL A  73       6.723 -13.601 -22.862  1.00 95.07           C  
+ATOM    555  CB  VAL A  73       6.872 -15.821 -21.680  1.00 95.07           C  
+ATOM    556  O   VAL A  73       7.714 -12.969 -23.236  1.00 95.07           O  
+ATOM    557  CG1 VAL A  73       8.040 -16.138 -22.612  1.00 95.07           C  
+ATOM    558  CG2 VAL A  73       7.066 -16.499 -20.325  1.00 95.07           C  
+ATOM    559  N   TYR A  74       5.629 -13.677 -23.584  1.00 93.83           N  
+ATOM    560  CA  TYR A  74       5.513 -13.045 -24.893  1.00 93.83           C  
+ATOM    561  C   TYR A  74       5.707 -11.537 -24.790  1.00 93.83           C  
+ATOM    562  CB  TYR A  74       4.150 -13.354 -25.520  1.00 93.83           C  
+ATOM    563  O   TYR A  74       6.454 -10.946 -25.574  1.00 93.83           O  
+ATOM    564  CG  TYR A  74       4.011 -14.778 -25.999  1.00 93.83           C  
+ATOM    565  CD1 TYR A  74       5.126 -15.605 -26.119  1.00 93.83           C  
+ATOM    566  CD2 TYR A  74       2.766 -15.300 -26.334  1.00 93.83           C  
+ATOM    567  CE1 TYR A  74       5.003 -16.918 -26.561  1.00 93.83           C  
+ATOM    568  CE2 TYR A  74       2.632 -16.612 -26.777  1.00 93.83           C  
+ATOM    569  OH  TYR A  74       3.627 -18.711 -27.326  1.00 93.83           O  
+ATOM    570  CZ  TYR A  74       3.754 -17.412 -26.887  1.00 93.83           C  
+ATOM    571  N   SER A  75       5.047 -11.026 -23.870  1.00 92.52           N  
+ATOM    572  CA  SER A  75       5.129  -9.585 -23.657  1.00 92.52           C  
+ATOM    573  C   SER A  75       6.557  -9.153 -23.341  1.00 92.52           C  
+ATOM    574  CB  SER A  75       4.195  -9.155 -22.525  1.00 92.52           C  
+ATOM    575  O   SER A  75       7.054  -8.175 -23.902  1.00 92.52           O  
+ATOM    576  OG  SER A  75       4.330  -7.770 -22.260  1.00 92.52           O  
+ATOM    577  N   ASN A  76       7.243  -9.829 -22.414  1.00 94.16           N  
+ATOM    578  CA  ASN A  76       8.616  -9.507 -22.040  1.00 94.16           C  
+ATOM    579  C   ASN A  76       9.562  -9.613 -23.234  1.00 94.16           C  
+ATOM    580  CB  ASN A  76       9.091 -10.416 -20.905  1.00 94.16           C  
+ATOM    581  O   ASN A  76      10.487  -8.810 -23.371  1.00 94.16           O  
+ATOM    582  CG  ASN A  76       8.454 -10.069 -19.574  1.00 94.16           C  
+ATOM    583  ND2 ASN A  76       7.807  -8.911 -19.510  1.00 94.16           N  
+ATOM    584  OD1 ASN A  76       8.544 -10.834 -18.610  1.00 94.16           O  
+ATOM    585  N   THR A  77       9.273 -10.611 -24.119  1.00 94.97           N  
+ATOM    586  CA  THR A  77      10.103 -10.830 -25.299  1.00 94.97           C  
+ATOM    587  C   THR A  77       9.937  -9.688 -26.297  1.00 94.97           C  
+ATOM    588  CB  THR A  77       9.760 -12.167 -25.983  1.00 94.97           C  
+ATOM    589  O   THR A  77      10.925  -9.123 -26.773  1.00 94.97           O  
+ATOM    590  CG2 THR A  77      10.677 -12.426 -27.173  1.00 94.97           C  
+ATOM    591  OG1 THR A  77       9.909 -13.233 -25.037  1.00 94.97           O  
+ATOM    592  N   ILE A  78       8.737  -9.340 -26.583  1.00 93.84           N  
+ATOM    593  CA  ILE A  78       8.415  -8.305 -27.559  1.00 93.84           C  
+ATOM    594  C   ILE A  78       8.924  -6.953 -27.064  1.00 93.84           C  
+ATOM    595  CB  ILE A  78       6.895  -8.238 -27.831  1.00 93.84           C  
+ATOM    596  O   ILE A  78       9.569  -6.214 -27.811  1.00 93.84           O  
+ATOM    597  CG1 ILE A  78       6.420  -9.521 -28.523  1.00 93.84           C  
+ATOM    598  CG2 ILE A  78       6.551  -7.004 -28.670  1.00 93.84           C  
+ATOM    599  CD1 ILE A  78       4.906  -9.669 -28.582  1.00 93.84           C  
+ATOM    600  N   GLN A  79       8.730  -6.690 -25.821  1.00 93.16           N  
+ATOM    601  CA  GLN A  79       9.152  -5.420 -25.239  1.00 93.16           C  
+ATOM    602  C   GLN A  79      10.673  -5.298 -25.230  1.00 93.16           C  
+ATOM    603  CB  GLN A  79       8.606  -5.272 -23.818  1.00 93.16           C  
+ATOM    604  O   GLN A  79      11.215  -4.205 -25.411  1.00 93.16           O  
+ATOM    605  CG  GLN A  79       7.107  -5.008 -23.761  1.00 93.16           C  
+ATOM    606  CD  GLN A  79       6.589  -4.877 -22.341  1.00 93.16           C  
+ATOM    607  NE2 GLN A  79       5.342  -4.437 -22.203  1.00 93.16           N  
+ATOM    608  OE1 GLN A  79       7.302  -5.169 -21.376  1.00 93.16           O  
+ATOM    609  N   SER A  80      11.317  -6.357 -25.020  1.00 95.66           N  
+ATOM    610  CA  SER A  80      12.777  -6.362 -25.005  1.00 95.66           C  
+ATOM    611  C   SER A  80      13.345  -5.983 -26.369  1.00 95.66           C  
+ATOM    612  CB  SER A  80      13.305  -7.735 -24.587  1.00 95.66           C  
+ATOM    613  O   SER A  80      14.250  -5.151 -26.461  1.00 95.66           O  
+ATOM    614  OG  SER A  80      12.996  -8.000 -23.229  1.00 95.66           O  
+ATOM    615  N   ILE A  81      12.791  -6.593 -27.435  1.00 96.15           N  
+ATOM    616  CA  ILE A  81      13.306  -6.312 -28.770  1.00 96.15           C  
+ATOM    617  C   ILE A  81      12.928  -4.890 -29.180  1.00 96.15           C  
+ATOM    618  CB  ILE A  81      12.775  -7.327 -29.807  1.00 96.15           C  
+ATOM    619  O   ILE A  81      13.711  -4.197 -29.834  1.00 96.15           O  
+ATOM    620  CG1 ILE A  81      13.546  -7.197 -31.125  1.00 96.15           C  
+ATOM    621  CG2 ILE A  81      11.272  -7.135 -30.030  1.00 96.15           C  
+ATOM    622  CD1 ILE A  81      15.022  -7.552 -31.016  1.00 96.15           C  
+ATOM    623  N   ILE A  82      11.818  -4.436 -28.834  1.00 94.75           N  
+ATOM    624  CA  ILE A  82      11.395  -3.068 -29.110  1.00 94.75           C  
+ATOM    625  C   ILE A  82      12.329  -2.086 -28.406  1.00 94.75           C  
+ATOM    626  CB  ILE A  82       9.934  -2.828 -28.669  1.00 94.75           C  
+ATOM    627  O   ILE A  82      12.732  -1.077 -28.988  1.00 94.75           O  
+ATOM    628  CG1 ILE A  82       8.964  -3.515 -29.638  1.00 94.75           C  
+ATOM    629  CG2 ILE A  82       9.639  -1.328 -28.570  1.00 94.75           C  
+ATOM    630  CD1 ILE A  82       7.499  -3.377 -29.248  1.00 94.75           C  
+ATOM    631  N   ALA A  83      12.670  -2.399 -27.174  1.00 94.88           N  
+ATOM    632  CA  ALA A  83      13.588  -1.551 -26.418  1.00 94.88           C  
+ATOM    633  C   ALA A  83      14.943  -1.453 -27.114  1.00 94.88           C  
+ATOM    634  CB  ALA A  83      13.761  -2.086 -24.999  1.00 94.88           C  
+ATOM    635  O   ALA A  83      15.540  -0.375 -27.175  1.00 94.88           O  
+ATOM    636  N   ILE A  84      15.417  -2.499 -27.658  1.00 96.52           N  
+ATOM    637  CA  ILE A  84      16.702  -2.535 -28.346  1.00 96.52           C  
+ATOM    638  C   ILE A  84      16.632  -1.690 -29.616  1.00 96.52           C  
+ATOM    639  CB  ILE A  84      17.120  -3.983 -28.689  1.00 96.52           C  
+ATOM    640  O   ILE A  84      17.521  -0.876 -29.878  1.00 96.52           O  
+ATOM    641  CG1 ILE A  84      17.359  -4.787 -27.406  1.00 96.52           C  
+ATOM    642  CG2 ILE A  84      18.365  -3.989 -29.580  1.00 96.52           C  
+ATOM    643  CD1 ILE A  84      17.578  -6.275 -27.640  1.00 96.52           C  
+ATOM    644  N   ILE A  85      15.566  -1.849 -30.380  1.00 95.59           N  
+ATOM    645  CA  ILE A  85      15.405  -1.146 -31.648  1.00 95.59           C  
+ATOM    646  C   ILE A  85      15.249   0.351 -31.392  1.00 95.59           C  
+ATOM    647  CB  ILE A  85      14.192  -1.683 -32.441  1.00 95.59           C  
+ATOM    648  O   ILE A  85      15.823   1.173 -32.111  1.00 95.59           O  
+ATOM    649  CG1 ILE A  85      14.389  -3.165 -32.780  1.00 95.59           C  
+ATOM    650  CG2 ILE A  85      13.968  -0.855 -33.710  1.00 95.59           C  
+ATOM    651  CD1 ILE A  85      15.649  -3.453 -33.585  1.00 95.59           C  
+ATOM    652  N   ARG A  86      14.549   0.749 -30.441  1.00 94.45           N  
+ATOM    653  CA  ARG A  86      14.412   2.154 -30.073  1.00 94.45           C  
+ATOM    654  C   ARG A  86      15.757   2.749 -29.671  1.00 94.45           C  
+ATOM    655  CB  ARG A  86      13.405   2.316 -28.932  1.00 94.45           C  
+ATOM    656  O   ARG A  86      16.077   3.880 -30.040  1.00 94.45           O  
+ATOM    657  CG  ARG A  86      11.953   2.291 -29.384  1.00 94.45           C  
+ATOM    658  CD  ARG A  86      10.999   2.556 -28.228  1.00 94.45           C  
+ATOM    659  NE  ARG A  86       9.609   2.332 -28.615  1.00 94.45           N  
+ATOM    660  NH1 ARG A  86       8.782   2.396 -26.458  1.00 94.45           N  
+ATOM    661  NH2 ARG A  86       7.362   2.055 -28.226  1.00 94.45           N  
+ATOM    662  CZ  ARG A  86       8.587   2.262 -27.765  1.00 94.45           C  
+ATOM    663  N   ALA A  87      16.474   1.980 -28.936  1.00 94.45           N  
+ATOM    664  CA  ALA A  87      17.787   2.421 -28.472  1.00 94.45           C  
+ATOM    665  C   ALA A  87      18.749   2.605 -29.643  1.00 94.45           C  
+ATOM    666  CB  ALA A  87      18.359   1.423 -27.469  1.00 94.45           C  
+ATOM    667  O   ALA A  87      19.656   3.439 -29.585  1.00 94.45           O  
+ATOM    668  N   MET A  88      18.558   1.767 -30.638  1.00 95.35           N  
+ATOM    669  CA  MET A  88      19.385   1.890 -31.835  1.00 95.35           C  
+ATOM    670  C   MET A  88      19.262   3.284 -32.441  1.00 95.35           C  
+ATOM    671  CB  MET A  88      18.995   0.834 -32.870  1.00 95.35           C  
+ATOM    672  O   MET A  88      20.250   3.852 -32.908  1.00 95.35           O  
+ATOM    673  CG  MET A  88      19.484  -0.565 -32.533  1.00 95.35           C  
+ATOM    674  SD  MET A  88      18.994  -1.805 -33.794  1.00 95.35           S  
+ATOM    675  CE  MET A  88      20.061  -1.300 -35.171  1.00 95.35           C  
+ATOM    676  N   GLY A  89      18.025   3.823 -32.477  1.00 91.27           N  
+ATOM    677  CA  GLY A  89      17.806   5.176 -32.963  1.00 91.27           C  
+ATOM    678  C   GLY A  89      18.500   6.232 -32.123  1.00 91.27           C  
+ATOM    679  O   GLY A  89      19.161   7.124 -32.659  1.00 91.27           O  
+ATOM    680  N   ARG A  90      18.481   6.075 -30.824  1.00 91.15           N  
+ATOM    681  CA  ARG A  90      19.078   7.012 -29.877  1.00 91.15           C  
+ATOM    682  C   ARG A  90      20.600   6.936 -29.917  1.00 91.15           C  
+ATOM    683  CB  ARG A  90      18.576   6.736 -28.458  1.00 91.15           C  
+ATOM    684  O   ARG A  90      21.280   7.962 -29.849  1.00 91.15           O  
+ATOM    685  CG  ARG A  90      17.126   7.131 -28.229  1.00 91.15           C  
+ATOM    686  CD  ARG A  90      16.681   6.840 -26.803  1.00 91.15           C  
+ATOM    687  NE  ARG A  90      15.253   7.089 -26.623  1.00 91.15           N  
+ATOM    688  NH1 ARG A  90      15.193   6.363 -24.430  1.00 91.15           N  
+ATOM    689  NH2 ARG A  90      13.282   7.120 -25.445  1.00 91.15           N  
+ATOM    690  CZ  ARG A  90      14.579   6.857 -25.500  1.00 91.15           C  
+ATOM    691  N   LEU A  91      21.123   5.800 -30.088  1.00 93.31           N  
+ATOM    692  CA  LEU A  91      22.565   5.582 -30.061  1.00 93.31           C  
+ATOM    693  C   LEU A  91      23.158   5.690 -31.462  1.00 93.31           C  
+ATOM    694  CB  LEU A  91      22.889   4.210 -29.462  1.00 93.31           C  
+ATOM    695  O   LEU A  91      24.365   5.517 -31.646  1.00 93.31           O  
+ATOM    696  CG  LEU A  91      22.523   4.010 -27.991  1.00 93.31           C  
+ATOM    697  CD1 LEU A  91      22.783   2.566 -27.573  1.00 93.31           C  
+ATOM    698  CD2 LEU A  91      23.305   4.976 -27.109  1.00 93.31           C  
+ATOM    699  N   LYS A  92      22.301   5.930 -32.416  1.00 93.59           N  
+ATOM    700  CA  LYS A  92      22.699   6.125 -33.807  1.00 93.59           C  
+ATOM    701  C   LYS A  92      23.469   4.918 -34.334  1.00 93.59           C  
+ATOM    702  CB  LYS A  92      23.546   7.390 -33.951  1.00 93.59           C  
+ATOM    703  O   LYS A  92      24.520   5.070 -34.959  1.00 93.59           O  
+ATOM    704  CG  LYS A  92      22.803   8.674 -33.613  1.00 93.59           C  
+ATOM    705  CD  LYS A  92      23.659   9.904 -33.885  1.00 93.59           C  
+ATOM    706  CE  LYS A  92      22.918  11.190 -33.544  1.00 93.59           C  
+ATOM    707  NZ  LYS A  92      23.751  12.399 -33.817  1.00 93.59           N  
+ATOM    708  N   ILE A  93      22.953   3.718 -34.073  1.00 93.73           N  
+ATOM    709  CA  ILE A  93      23.508   2.471 -34.590  1.00 93.73           C  
+ATOM    710  C   ILE A  93      22.705   2.014 -35.806  1.00 93.73           C  
+ATOM    711  CB  ILE A  93      23.519   1.367 -33.509  1.00 93.73           C  
+ATOM    712  O   ILE A  93      21.481   1.882 -35.735  1.00 93.73           O  
+ATOM    713  CG1 ILE A  93      24.355   1.809 -32.303  1.00 93.73           C  
+ATOM    714  CG2 ILE A  93      24.047   0.051 -34.088  1.00 93.73           C  
+ATOM    715  CD1 ILE A  93      24.299   0.846 -31.125  1.00 93.73           C  
+ATOM    716  N   ASP A  94      23.392   1.780 -36.873  1.00 94.80           N  
+ATOM    717  CA  ASP A  94      22.728   1.361 -38.104  1.00 94.80           C  
+ATOM    718  C   ASP A  94      22.543  -0.155 -38.140  1.00 94.80           C  
+ATOM    719  CB  ASP A  94      23.524   1.822 -39.326  1.00 94.80           C  
+ATOM    720  O   ASP A  94      23.303  -0.893 -37.510  1.00 94.80           O  
+ATOM    721  CG  ASP A  94      23.561   3.333 -39.474  1.00 94.80           C  
+ATOM    722  OD1 ASP A  94      22.536   3.997 -39.209  1.00 94.80           O  
+ATOM    723  OD2 ASP A  94      24.624   3.865 -39.861  1.00 94.80           O  
+ATOM    724  N   PHE A  95      21.522  -0.506 -38.875  1.00 95.72           N  
+ATOM    725  CA  PHE A  95      21.327  -1.935 -39.086  1.00 95.72           C  
+ATOM    726  C   PHE A  95      22.460  -2.519 -39.921  1.00 95.72           C  
+ATOM    727  CB  PHE A  95      19.981  -2.200 -39.769  1.00 95.72           C  
+ATOM    728  O   PHE A  95      23.045  -1.825 -40.755  1.00 95.72           O  
+ATOM    729  CG  PHE A  95      18.790  -1.876 -38.909  1.00 95.72           C  
+ATOM    730  CD1 PHE A  95      18.401  -2.731 -37.885  1.00 95.72           C  
+ATOM    731  CD2 PHE A  95      18.057  -0.717 -39.126  1.00 95.72           C  
+ATOM    732  CE1 PHE A  95      17.299  -2.434 -37.087  1.00 95.72           C  
+ATOM    733  CE2 PHE A  95      16.954  -0.413 -38.333  1.00 95.72           C  
+ATOM    734  CZ  PHE A  95      16.576  -1.273 -37.315  1.00 95.72           C  
+ATOM    735  N   GLY A  96      22.902  -3.688 -39.585  1.00 92.11           N  
+ATOM    736  CA  GLY A  96      23.874  -4.361 -40.432  1.00 92.11           C  
+ATOM    737  C   GLY A  96      23.384  -4.572 -41.852  1.00 92.11           C  
+ATOM    738  O   GLY A  96      24.145  -4.409 -42.807  1.00 92.11           O  
+ATOM    739  N   ASP A  97      22.134  -4.957 -41.942  1.00 92.68           N  
+ATOM    740  CA  ASP A  97      21.420  -5.154 -43.200  1.00 92.68           C  
+ATOM    741  C   ASP A  97      20.320  -4.110 -43.377  1.00 92.68           C  
+ATOM    742  CB  ASP A  97      20.823  -6.562 -43.263  1.00 92.68           C  
+ATOM    743  O   ASP A  97      19.401  -4.023 -42.560  1.00 92.68           O  
+ATOM    744  CG  ASP A  97      20.224  -6.892 -44.619  1.00 92.68           C  
+ATOM    745  OD1 ASP A  97      20.108  -5.985 -45.472  1.00 92.68           O  
+ATOM    746  OD2 ASP A  97      19.861  -8.068 -44.836  1.00 92.68           O  
+ATOM    747  N   ALA A  98      20.411  -3.336 -44.443  1.00 90.96           N  
+ATOM    748  CA  ALA A  98      19.478  -2.244 -44.710  1.00 90.96           C  
+ATOM    749  C   ALA A  98      18.042  -2.754 -44.784  1.00 90.96           C  
+ATOM    750  CB  ALA A  98      19.853  -1.529 -46.006  1.00 90.96           C  
+ATOM    751  O   ALA A  98      17.096  -2.003 -44.537  1.00 90.96           O  
+ATOM    752  N   ALA A  99      17.865  -4.067 -45.143  1.00 90.38           N  
+ATOM    753  CA  ALA A  99      16.544  -4.681 -45.245  1.00 90.38           C  
+ATOM    754  C   ALA A  99      15.875  -4.774 -43.877  1.00 90.38           C  
+ATOM    755  CB  ALA A  99      16.649  -6.066 -45.879  1.00 90.38           C  
+ATOM    756  O   ALA A  99      14.648  -4.857 -43.783  1.00 90.38           O  
+ATOM    757  N   ARG A 100      16.702  -4.679 -42.827  1.00 94.06           N  
+ATOM    758  CA  ARG A 100      16.169  -4.846 -41.479  1.00 94.06           C  
+ATOM    759  C   ARG A 100      15.427  -3.593 -41.024  1.00 94.06           C  
+ATOM    760  CB  ARG A 100      17.291  -5.177 -40.493  1.00 94.06           C  
+ATOM    761  O   ARG A 100      14.597  -3.652 -40.115  1.00 94.06           O  
+ATOM    762  CG  ARG A 100      17.972  -6.510 -40.760  1.00 94.06           C  
+ATOM    763  CD  ARG A 100      17.007  -7.677 -40.609  1.00 94.06           C  
+ATOM    764  NE  ARG A 100      16.316  -7.971 -41.861  1.00 94.06           N  
+ATOM    765  NH1 ARG A 100      18.091  -9.100 -42.815  1.00 94.06           N  
+ATOM    766  NH2 ARG A 100      16.129  -8.852 -43.974  1.00 94.06           N  
+ATOM    767  CZ  ARG A 100      16.847  -8.640 -42.881  1.00 94.06           C  
+ATOM    768  N   ALA A 101      15.641  -2.497 -41.704  1.00 91.85           N  
+ATOM    769  CA  ALA A 101      14.895  -1.275 -41.418  1.00 91.85           C  
+ATOM    770  C   ALA A 101      13.399  -1.482 -41.635  1.00 91.85           C  
+ATOM    771  CB  ALA A 101      15.402  -0.126 -42.287  1.00 91.85           C  
+ATOM    772  O   ALA A 101      12.579  -1.001 -40.849  1.00 91.85           O  
+ATOM    773  N   ASP A 102      13.083  -2.207 -42.705  1.00 93.13           N  
+ATOM    774  CA  ASP A 102      11.689  -2.532 -42.992  1.00 93.13           C  
+ATOM    775  C   ASP A 102      11.118  -3.479 -41.938  1.00 93.13           C  
+ATOM    776  CB  ASP A 102      11.558  -3.154 -44.384  1.00 93.13           C  
+ATOM    777  O   ASP A 102       9.974  -3.320 -41.509  1.00 93.13           O  
+ATOM    778  CG  ASP A 102      10.114  -3.351 -44.812  1.00 93.13           C  
+ATOM    779  OD1 ASP A 102       9.381  -2.350 -44.964  1.00 93.13           O  
+ATOM    780  OD2 ASP A 102       9.705  -4.518 -44.995  1.00 93.13           O  
+ATOM    781  N   ASP A 103      11.912  -4.406 -41.475  1.00 94.69           N  
+ATOM    782  CA  ASP A 103      11.493  -5.327 -40.423  1.00 94.69           C  
+ATOM    783  C   ASP A 103      11.192  -4.579 -39.126  1.00 94.69           C  
+ATOM    784  CB  ASP A 103      12.567  -6.389 -40.179  1.00 94.69           C  
+ATOM    785  O   ASP A 103      10.234  -4.906 -38.423  1.00 94.69           O  
+ATOM    786  CG  ASP A 103      12.644  -7.420 -41.291  1.00 94.69           C  
+ATOM    787  OD1 ASP A 103      11.667  -7.566 -42.057  1.00 94.69           O  
+ATOM    788  OD2 ASP A 103      13.691  -8.096 -41.401  1.00 94.69           O  
+ATOM    789  N   ALA A 104      12.026  -3.576 -38.840  1.00 93.59           N  
+ATOM    790  CA  ALA A 104      11.818  -2.760 -37.646  1.00 93.59           C  
+ATOM    791  C   ALA A 104      10.474  -2.039 -37.702  1.00 93.59           C  
+ATOM    792  CB  ALA A 104      12.953  -1.751 -37.487  1.00 93.59           C  
+ATOM    793  O   ALA A 104       9.744  -1.998 -36.710  1.00 93.59           O  
+ATOM    794  N   ARG A 105      10.142  -1.506 -38.900  1.00 93.53           N  
+ATOM    795  CA  ARG A 105       8.850  -0.853 -39.084  1.00 93.53           C  
+ATOM    796  C   ARG A 105       7.705  -1.844 -38.909  1.00 93.53           C  
+ATOM    797  CB  ARG A 105       8.771  -0.199 -40.466  1.00 93.53           C  
+ATOM    798  O   ARG A 105       6.707  -1.539 -38.253  1.00 93.53           O  
+ATOM    799  CG  ARG A 105       9.593   1.074 -40.593  1.00 93.53           C  
+ATOM    800  CD  ARG A 105       9.344   1.775 -41.921  1.00 93.53           C  
+ATOM    801  NE  ARG A 105      10.057   1.122 -43.017  1.00 93.53           N  
+ATOM    802  NH1 ARG A 105       9.035   2.349 -44.686  1.00 93.53           N  
+ATOM    803  NH2 ARG A 105      10.593   0.754 -45.219  1.00 93.53           N  
+ATOM    804  CZ  ARG A 105       9.893   1.410 -44.305  1.00 93.53           C  
+ATOM    805  N   GLN A 106       7.897  -3.022 -39.430  1.00 93.60           N  
+ATOM    806  CA  GLN A 106       6.891  -4.074 -39.330  1.00 93.60           C  
+ATOM    807  C   GLN A 106       6.706  -4.522 -37.883  1.00 93.60           C  
+ATOM    808  CB  GLN A 106       7.275  -5.269 -40.205  1.00 93.60           C  
+ATOM    809  O   GLN A 106       5.593  -4.847 -37.466  1.00 93.60           O  
+ATOM    810  CG  GLN A 106       7.080  -5.028 -41.695  1.00 93.60           C  
+ATOM    811  CD  GLN A 106       7.402  -6.250 -42.535  1.00 93.60           C  
+ATOM    812  NE2 GLN A 106       7.628  -6.039 -43.827  1.00 93.60           N  
+ATOM    813  OE1 GLN A 106       7.447  -7.374 -42.026  1.00 93.60           O  
+ATOM    814  N   LEU A 107       7.810  -4.612 -37.154  1.00 94.37           N  
+ATOM    815  CA  LEU A 107       7.773  -5.011 -35.751  1.00 94.37           C  
+ATOM    816  C   LEU A 107       6.812  -4.130 -34.960  1.00 94.37           C  
+ATOM    817  CB  LEU A 107       9.173  -4.940 -35.136  1.00 94.37           C  
+ATOM    818  O   LEU A 107       5.966  -4.636 -34.219  1.00 94.37           O  
+ATOM    819  CG  LEU A 107       9.263  -5.165 -33.626  1.00 94.37           C  
+ATOM    820  CD1 LEU A 107       8.920  -6.612 -33.285  1.00 94.37           C  
+ATOM    821  CD2 LEU A 107      10.653  -4.805 -33.113  1.00 94.37           C  
+ATOM    822  N   PHE A 108       6.905  -2.785 -35.160  1.00 92.73           N  
+ATOM    823  CA  PHE A 108       6.087  -1.836 -34.414  1.00 92.73           C  
+ATOM    824  C   PHE A 108       4.620  -1.960 -34.807  1.00 92.73           C  
+ATOM    825  CB  PHE A 108       6.575  -0.403 -34.648  1.00 92.73           C  
+ATOM    826  O   PHE A 108       3.734  -1.887 -33.953  1.00 92.73           O  
+ATOM    827  CG  PHE A 108       7.850  -0.070 -33.922  1.00 92.73           C  
+ATOM    828  CD1 PHE A 108       7.849   0.150 -32.550  1.00 92.73           C  
+ATOM    829  CD2 PHE A 108       9.052   0.023 -34.612  1.00 92.73           C  
+ATOM    830  CE1 PHE A 108       9.028   0.459 -31.875  1.00 92.73           C  
+ATOM    831  CE2 PHE A 108      10.234   0.331 -33.945  1.00 92.73           C  
+ATOM    832  CZ  PHE A 108      10.220   0.550 -32.577  1.00 92.73           C  
+ATOM    833  N   VAL A 109       4.375  -2.259 -36.070  1.00 91.89           N  
+ATOM    834  CA  VAL A 109       3.011  -2.415 -36.564  1.00 91.89           C  
+ATOM    835  C   VAL A 109       2.406  -3.704 -36.013  1.00 91.89           C  
+ATOM    836  CB  VAL A 109       2.965  -2.423 -38.109  1.00 91.89           C  
+ATOM    837  O   VAL A 109       1.304  -3.691 -35.459  1.00 91.89           O  
+ATOM    838  CG1 VAL A 109       1.566  -2.783 -38.605  1.00 91.89           C  
+ATOM    839  CG2 VAL A 109       3.400  -1.068 -38.662  1.00 91.89           C  
+ATOM    840  N   LEU A 110       3.123  -4.752 -36.071  1.00 90.35           N  
+ATOM    841  CA  LEU A 110       2.626  -6.056 -35.644  1.00 90.35           C  
+ATOM    842  C   LEU A 110       2.470  -6.108 -34.128  1.00 90.35           C  
+ATOM    843  CB  LEU A 110       3.570  -7.168 -36.110  1.00 90.35           C  
+ATOM    844  O   LEU A 110       1.504  -6.681 -33.619  1.00 90.35           O  
+ATOM    845  CG  LEU A 110       3.605  -7.441 -37.614  1.00 90.35           C  
+ATOM    846  CD1 LEU A 110       4.701  -8.449 -37.944  1.00 90.35           C  
+ATOM    847  CD2 LEU A 110       2.249  -7.941 -38.099  1.00 90.35           C  
+ATOM    848  N   ALA A 111       3.455  -5.552 -33.444  1.00 88.16           N  
+ATOM    849  CA  ALA A 111       3.402  -5.533 -31.985  1.00 88.16           C  
+ATOM    850  C   ALA A 111       2.203  -4.729 -31.490  1.00 88.16           C  
+ATOM    851  CB  ALA A 111       4.696  -4.960 -31.412  1.00 88.16           C  
+ATOM    852  O   ALA A 111       1.568  -5.095 -30.498  1.00 88.16           O  
+ATOM    853  N   GLY A 112       1.912  -3.608 -32.192  1.00 84.78           N  
+ATOM    854  CA  GLY A 112       0.772  -2.773 -31.850  1.00 84.78           C  
+ATOM    855  C   GLY A 112      -0.561  -3.453 -32.102  1.00 84.78           C  
+ATOM    856  O   GLY A 112      -1.543  -3.183 -31.406  1.00 84.78           O  
+ATOM    857  N   ALA A 113      -0.593  -4.383 -33.098  1.00 83.21           N  
+ATOM    858  CA  ALA A 113      -1.816  -5.076 -33.494  1.00 83.21           C  
+ATOM    859  C   ALA A 113      -1.987  -6.377 -32.714  1.00 83.21           C  
+ATOM    860  CB  ALA A 113      -1.806  -5.357 -34.995  1.00 83.21           C  
+ATOM    861  O   ALA A 113      -3.073  -6.961 -32.701  1.00 83.21           O  
+ATOM    862  N   ALA A 114      -0.893  -6.822 -32.101  1.00 76.73           N  
+ATOM    863  CA  ALA A 114      -0.901  -8.127 -31.445  1.00 76.73           C  
+ATOM    864  C   ALA A 114      -1.715  -8.088 -30.155  1.00 76.73           C  
+ATOM    865  CB  ALA A 114       0.526  -8.587 -31.157  1.00 76.73           C  
+ATOM    866  O   ALA A 114      -1.648  -7.114 -29.401  1.00 76.73           O  
+ATOM    867  N   GLU A 115      -2.732  -8.916 -30.086  1.00 73.20           N  
+ATOM    868  CA  GLU A 115      -3.455  -9.110 -28.833  1.00 73.20           C  
+ATOM    869  C   GLU A 115      -2.521  -9.585 -27.724  1.00 73.20           C  
+ATOM    870  CB  GLU A 115      -4.598 -10.111 -29.021  1.00 73.20           C  
+ATOM    871  O   GLU A 115      -1.553 -10.302 -27.985  1.00 73.20           O  
+ATOM    872  CG  GLU A 115      -5.794  -9.544 -29.773  1.00 73.20           C  
+ATOM    873  CD  GLU A 115      -6.930 -10.542 -29.934  1.00 73.20           C  
+ATOM    874  OE1 GLU A 115      -7.943 -10.208 -30.590  1.00 73.20           O  
+ATOM    875  OE2 GLU A 115      -6.806 -11.666 -29.398  1.00 73.20           O  
+ATOM    876  N   GLU A 116      -2.681  -9.008 -26.504  1.00 67.28           N  
+ATOM    877  CA  GLU A 116      -1.911  -9.420 -25.334  1.00 67.28           C  
+ATOM    878  C   GLU A 116      -1.924 -10.938 -25.172  1.00 67.28           C  
+ATOM    879  CB  GLU A 116      -2.456  -8.751 -24.069  1.00 67.28           C  
+ATOM    880  O   GLU A 116      -2.983 -11.565 -25.232  1.00 67.28           O  
+ATOM    881  CG  GLU A 116      -1.857  -7.380 -23.792  1.00 67.28           C  
+ATOM    882  CD  GLU A 116      -2.407  -6.729 -22.533  1.00 67.28           C  
+ATOM    883  OE1 GLU A 116      -2.075  -5.552 -22.265  1.00 67.28           O  
+ATOM    884  OE2 GLU A 116      -3.174  -7.401 -21.809  1.00 67.28           O  
+ATOM    885  N   GLY A 117      -0.786 -11.565 -25.328  1.00 70.99           N  
+ATOM    886  CA  GLY A 117      -0.674 -12.982 -25.022  1.00 70.99           C  
+ATOM    887  C   GLY A 117      -0.465 -13.843 -26.254  1.00 70.99           C  
+ATOM    888  O   GLY A 117      -0.536 -15.071 -26.178  1.00 70.99           O  
+ATOM    889  N   PHE A 118      -0.346 -13.230 -27.493  1.00 81.59           N  
+ATOM    890  CA  PHE A 118      -0.181 -14.058 -28.681  1.00 81.59           C  
+ATOM    891  C   PHE A 118       1.072 -13.659 -29.450  1.00 81.59           C  
+ATOM    892  CB  PHE A 118      -1.411 -13.950 -29.589  1.00 81.59           C  
+ATOM    893  O   PHE A 118       1.338 -12.470 -29.639  1.00 81.59           O  
+ATOM    894  CG  PHE A 118      -2.614 -14.692 -29.072  1.00 81.59           C  
+ATOM    895  CD1 PHE A 118      -2.843 -16.013 -29.437  1.00 81.59           C  
+ATOM    896  CD2 PHE A 118      -3.516 -14.068 -28.221  1.00 81.59           C  
+ATOM    897  CE1 PHE A 118      -3.956 -16.702 -28.960  1.00 81.59           C  
+ATOM    898  CE2 PHE A 118      -4.631 -14.750 -27.740  1.00 81.59           C  
+ATOM    899  CZ  PHE A 118      -4.849 -16.066 -28.112  1.00 81.59           C  
+ATOM    900  N   MET A 119       1.903 -14.674 -29.817  1.00 87.85           N  
+ATOM    901  CA  MET A 119       3.057 -14.525 -30.700  1.00 87.85           C  
+ATOM    902  C   MET A 119       2.784 -15.155 -32.062  1.00 87.85           C  
+ATOM    903  CB  MET A 119       4.300 -15.156 -30.071  1.00 87.85           C  
+ATOM    904  O   MET A 119       2.807 -16.379 -32.200  1.00 87.85           O  
+ATOM    905  CG  MET A 119       5.567 -14.962 -30.889  1.00 87.85           C  
+ATOM    906  SD  MET A 119       6.187 -13.236 -30.825  1.00 87.85           S  
+ATOM    907  CE  MET A 119       6.728 -13.154 -29.095  1.00 87.85           C  
+ATOM    908  N   THR A 120       2.481 -14.287 -33.087  1.00 88.95           N  
+ATOM    909  CA  THR A 120       2.222 -14.807 -34.426  1.00 88.95           C  
+ATOM    910  C   THR A 120       3.522 -15.242 -35.097  1.00 88.95           C  
+ATOM    911  CB  THR A 120       1.514 -13.759 -35.304  1.00 88.95           C  
+ATOM    912  O   THR A 120       4.601 -14.760 -34.745  1.00 88.95           O  
+ATOM    913  CG2 THR A 120       0.190 -13.326 -34.683  1.00 88.95           C  
+ATOM    914  OG1 THR A 120       2.360 -12.612 -35.447  1.00 88.95           O  
+ATOM    915  N   ALA A 121       3.444 -16.220 -35.984  1.00 89.67           N  
+ATOM    916  CA  ALA A 121       4.605 -16.723 -36.713  1.00 89.67           C  
+ATOM    917  C   ALA A 121       5.308 -15.599 -37.469  1.00 89.67           C  
+ATOM    918  CB  ALA A 121       4.188 -17.829 -37.680  1.00 89.67           C  
+ATOM    919  O   ALA A 121       6.538 -15.577 -37.558  1.00 89.67           O  
+ATOM    920  N   GLU A 122       4.451 -14.692 -37.938  1.00 92.08           N  
+ATOM    921  CA  GLU A 122       4.982 -13.550 -38.677  1.00 92.08           C  
+ATOM    922  C   GLU A 122       5.804 -12.639 -37.769  1.00 92.08           C  
+ATOM    923  CB  GLU A 122       3.847 -12.757 -39.330  1.00 92.08           C  
+ATOM    924  O   GLU A 122       6.911 -12.232 -38.128  1.00 92.08           O  
+ATOM    925  CG  GLU A 122       4.325 -11.662 -40.272  1.00 92.08           C  
+ATOM    926  CD  GLU A 122       3.187 -10.894 -40.925  1.00 92.08           C  
+ATOM    927  OE1 GLU A 122       3.456 -10.030 -41.790  1.00 92.08           O  
+ATOM    928  OE2 GLU A 122       2.017 -11.157 -40.567  1.00 92.08           O  
+ATOM    929  N   LEU A 123       5.250 -12.296 -36.649  1.00 93.13           N  
+ATOM    930  CA  LEU A 123       5.934 -11.455 -35.672  1.00 93.13           C  
+ATOM    931  C   LEU A 123       7.223 -12.116 -35.193  1.00 93.13           C  
+ATOM    932  CB  LEU A 123       5.020 -11.167 -34.479  1.00 93.13           C  
+ATOM    933  O   LEU A 123       8.271 -11.470 -35.133  1.00 93.13           O  
+ATOM    934  CG  LEU A 123       5.606 -10.290 -33.371  1.00 93.13           C  
+ATOM    935  CD1 LEU A 123       6.079  -8.958 -33.945  1.00 93.13           C  
+ATOM    936  CD2 LEU A 123       4.581 -10.068 -32.265  1.00 93.13           C  
+ATOM    937  N   ALA A 124       7.135 -13.380 -34.864  1.00 94.05           N  
+ATOM    938  CA  ALA A 124       8.303 -14.138 -34.422  1.00 94.05           C  
+ATOM    939  C   ALA A 124       9.395 -14.134 -35.488  1.00 94.05           C  
+ATOM    940  CB  ALA A 124       7.907 -15.571 -34.075  1.00 94.05           C  
+ATOM    941  O   ALA A 124      10.581 -14.025 -35.169  1.00 94.05           O  
+ATOM    942  N   GLY A 125       8.942 -14.250 -36.762  1.00 94.74           N  
+ATOM    943  CA  GLY A 125       9.887 -14.221 -37.866  1.00 94.74           C  
+ATOM    944  C   GLY A 125      10.642 -12.909 -37.971  1.00 94.74           C  
+ATOM    945  O   GLY A 125      11.859 -12.901 -38.171  1.00 94.74           O  
+ATOM    946  N   VAL A 126       9.953 -11.835 -37.789  1.00 95.27           N  
+ATOM    947  CA  VAL A 126      10.538 -10.499 -37.854  1.00 95.27           C  
+ATOM    948  C   VAL A 126      11.516 -10.307 -36.697  1.00 95.27           C  
+ATOM    949  CB  VAL A 126       9.451  -9.401 -37.820  1.00 95.27           C  
+ATOM    950  O   VAL A 126      12.631  -9.817 -36.893  1.00 95.27           O  
+ATOM    951  CG1 VAL A 126      10.083  -8.021 -37.648  1.00 95.27           C  
+ATOM    952  CG2 VAL A 126       8.605  -9.450 -39.091  1.00 95.27           C  
+ATOM    953  N   ILE A 127      11.142 -10.729 -35.533  1.00 96.07           N  
+ATOM    954  CA  ILE A 127      11.979 -10.584 -34.348  1.00 96.07           C  
+ATOM    955  C   ILE A 127      13.262 -11.394 -34.520  1.00 96.07           C  
+ATOM    956  CB  ILE A 127      11.232 -11.029 -33.070  1.00 96.07           C  
+ATOM    957  O   ILE A 127      14.353 -10.916 -34.200  1.00 96.07           O  
+ATOM    958  CG1 ILE A 127      10.060 -10.084 -32.781  1.00 96.07           C  
+ATOM    959  CG2 ILE A 127      12.191 -11.094 -31.878  1.00 96.07           C  
+ATOM    960  CD1 ILE A 127       9.188 -10.520 -31.611  1.00 96.07           C  
+ATOM    961  N   LYS A 128      13.075 -12.517 -35.058  1.00 95.84           N  
+ATOM    962  CA  LYS A 128      14.216 -13.402 -35.274  1.00 95.84           C  
+ATOM    963  C   LYS A 128      15.227 -12.772 -36.229  1.00 95.84           C  
+ATOM    964  CB  LYS A 128      13.753 -14.753 -35.819  1.00 95.84           C  
+ATOM    965  O   LYS A 128      16.432 -12.803 -35.974  1.00 95.84           O  
+ATOM    966  CG  LYS A 128      14.839 -15.818 -35.839  1.00 95.84           C  
+ATOM    967  CD  LYS A 128      14.301 -17.157 -36.327  1.00 95.84           C  
+ATOM    968  CE  LYS A 128      15.385 -18.226 -36.337  1.00 95.84           C  
+ATOM    969  NZ  LYS A 128      14.852 -19.552 -36.773  1.00 95.84           N  
+ATOM    970  N   ARG A 129      14.804 -12.248 -37.310  1.00 95.67           N  
+ATOM    971  CA  ARG A 129      15.676 -11.608 -38.290  1.00 95.67           C  
+ATOM    972  C   ARG A 129      16.359 -10.381 -37.697  1.00 95.67           C  
+ATOM    973  CB  ARG A 129      14.883 -11.215 -39.539  1.00 95.67           C  
+ATOM    974  O   ARG A 129      17.551 -10.158 -37.922  1.00 95.67           O  
+ATOM    975  CG  ARG A 129      14.439 -12.397 -40.385  1.00 95.67           C  
+ATOM    976  CD  ARG A 129      13.956 -11.957 -41.760  1.00 95.67           C  
+ATOM    977  NE  ARG A 129      12.762 -11.121 -41.669  1.00 95.67           N  
+ATOM    978  NH1 ARG A 129      11.269 -12.879 -41.794  1.00 95.67           N  
+ATOM    979  NH2 ARG A 129      10.501 -10.728 -41.599  1.00 95.67           N  
+ATOM    980  CZ  ARG A 129      11.513 -11.578 -41.688  1.00 95.67           C  
+ATOM    981  N   LEU A 130      15.620  -9.697 -36.961  1.00 96.44           N  
+ATOM    982  CA  LEU A 130      16.171  -8.503 -36.329  1.00 96.44           C  
+ATOM    983  C   LEU A 130      17.228  -8.874 -35.295  1.00 96.44           C  
+ATOM    984  CB  LEU A 130      15.059  -7.684 -35.668  1.00 96.44           C  
+ATOM    985  O   LEU A 130      18.281  -8.236 -35.222  1.00 96.44           O  
+ATOM    986  CG  LEU A 130      14.144  -6.899 -36.610  1.00 96.44           C  
+ATOM    987  CD1 LEU A 130      12.952  -6.336 -35.843  1.00 96.44           C  
+ATOM    988  CD2 LEU A 130      14.919  -5.781 -37.299  1.00 96.44           C  
+ATOM    989  N   TRP A 131      16.975  -9.883 -34.473  1.00 96.86           N  
+ATOM    990  CA  TRP A 131      17.879 -10.295 -33.405  1.00 96.86           C  
+ATOM    991  C   TRP A 131      19.198 -10.806 -33.975  1.00 96.86           C  
+ATOM    992  CB  TRP A 131      17.230 -11.377 -32.538  1.00 96.86           C  
+ATOM    993  O   TRP A 131      20.259 -10.605 -33.379  1.00 96.86           O  
+ATOM    994  CG  TRP A 131      18.098 -11.858 -31.413  1.00 96.86           C  
+ATOM    995  CD1 TRP A 131      18.494 -13.143 -31.169  1.00 96.86           C  
+ATOM    996  CD2 TRP A 131      18.672 -11.057 -30.376  1.00 96.86           C  
+ATOM    997  CE2 TRP A 131      19.406 -11.924 -29.537  1.00 96.86           C  
+ATOM    998  CE3 TRP A 131      18.638  -9.689 -30.074  1.00 96.86           C  
+ATOM    999  NE1 TRP A 131      19.281 -13.190 -30.042  1.00 96.86           N  
+ATOM   1000  CH2 TRP A 131      20.052 -10.124 -28.143  1.00 96.86           C  
+ATOM   1001  CZ2 TRP A 131      20.101 -11.467 -28.415  1.00 96.86           C  
+ATOM   1002  CZ3 TRP A 131      19.331  -9.235 -28.957  1.00 96.86           C  
+ATOM   1003  N   LYS A 132      19.228 -11.372 -35.189  1.00 96.06           N  
+ATOM   1004  CA  LYS A 132      20.425 -11.905 -35.832  1.00 96.06           C  
+ATOM   1005  C   LYS A 132      21.242 -10.791 -36.481  1.00 96.06           C  
+ATOM   1006  CB  LYS A 132      20.051 -12.957 -36.877  1.00 96.06           C  
+ATOM   1007  O   LYS A 132      22.411 -10.988 -36.820  1.00 96.06           O  
+ATOM   1008  CG  LYS A 132      19.602 -14.285 -36.285  1.00 96.06           C  
+ATOM   1009  CD  LYS A 132      19.361 -15.328 -37.369  1.00 96.06           C  
+ATOM   1010  CE  LYS A 132      18.909 -16.656 -36.777  1.00 96.06           C  
+ATOM   1011  NZ  LYS A 132      18.637 -17.671 -37.839  1.00 96.06           N  
+ATOM   1012  N   ASP A 133      20.679  -9.682 -36.613  1.00 97.03           N  
+ATOM   1013  CA  ASP A 133      21.345  -8.556 -37.261  1.00 97.03           C  
+ATOM   1014  C   ASP A 133      22.525  -8.063 -36.427  1.00 97.03           C  
+ATOM   1015  CB  ASP A 133      20.356  -7.413 -37.500  1.00 97.03           C  
+ATOM   1016  O   ASP A 133      22.430  -7.969 -35.201  1.00 97.03           O  
+ATOM   1017  CG  ASP A 133      20.966  -6.252 -38.264  1.00 97.03           C  
+ATOM   1018  OD1 ASP A 133      21.307  -5.223 -37.641  1.00 97.03           O  
+ATOM   1019  OD2 ASP A 133      21.105  -6.365 -39.501  1.00 97.03           O  
+ATOM   1020  N   SER A 134      23.650  -7.719 -37.167  1.00 96.36           N  
+ATOM   1021  CA  SER A 134      24.885  -7.300 -36.513  1.00 96.36           C  
+ATOM   1022  C   SER A 134      24.705  -5.968 -35.793  1.00 96.36           C  
+ATOM   1023  CB  SER A 134      26.020  -7.189 -37.532  1.00 96.36           C  
+ATOM   1024  O   SER A 134      25.277  -5.753 -34.722  1.00 96.36           O  
+ATOM   1025  OG  SER A 134      25.685  -6.275 -38.561  1.00 96.36           O  
+ATOM   1026  N   GLY A 135      23.884  -5.035 -36.425  1.00 95.64           N  
+ATOM   1027  CA  GLY A 135      23.596  -3.762 -35.784  1.00 95.64           C  
+ATOM   1028  C   GLY A 135      22.838  -3.908 -34.479  1.00 95.64           C  
+ATOM   1029  O   GLY A 135      23.171  -3.260 -33.485  1.00 95.64           O  
+ATOM   1030  N   VAL A 136      21.837  -4.813 -34.542  1.00 96.24           N  
+ATOM   1031  CA  VAL A 136      21.030  -5.071 -33.354  1.00 96.24           C  
+ATOM   1032  C   VAL A 136      21.900  -5.690 -32.262  1.00 96.24           C  
+ATOM   1033  CB  VAL A 136      19.834  -5.996 -33.671  1.00 96.24           C  
+ATOM   1034  O   VAL A 136      21.818  -5.296 -31.097  1.00 96.24           O  
+ATOM   1035  CG1 VAL A 136      19.112  -6.404 -32.388  1.00 96.24           C  
+ATOM   1036  CG2 VAL A 136      18.869  -5.309 -34.635  1.00 96.24           C  
+ATOM   1037  N   GLN A 137      22.757  -6.616 -32.616  1.00 96.95           N  
+ATOM   1038  CA  GLN A 137      23.661  -7.257 -31.666  1.00 96.95           C  
+ATOM   1039  C   GLN A 137      24.637  -6.249 -31.069  1.00 96.95           C  
+ATOM   1040  CB  GLN A 137      24.428  -8.396 -32.340  1.00 96.95           C  
+ATOM   1041  O   GLN A 137      24.973  -6.328 -29.885  1.00 96.95           O  
+ATOM   1042  CG  GLN A 137      23.572  -9.616 -32.650  1.00 96.95           C  
+ATOM   1043  CD  GLN A 137      23.055 -10.304 -31.401  1.00 96.95           C  
+ATOM   1044  NE2 GLN A 137      21.799 -10.733 -31.436  1.00 96.95           N  
+ATOM   1045  OE1 GLN A 137      23.781 -10.450 -30.412  1.00 96.95           O  
+ATOM   1046  N   ALA A 138      25.066  -5.304 -31.940  1.00 94.67           N  
+ATOM   1047  CA  ALA A 138      25.958  -4.248 -31.468  1.00 94.67           C  
+ATOM   1048  C   ALA A 138      25.268  -3.370 -30.428  1.00 94.67           C  
+ATOM   1049  CB  ALA A 138      26.443  -3.398 -32.640  1.00 94.67           C  
+ATOM   1050  O   ALA A 138      25.876  -2.991 -29.425  1.00 94.67           O  
+ATOM   1051  N   CYS A 139      24.014  -3.096 -30.676  1.00 95.74           N  
+ATOM   1052  CA  CYS A 139      23.234  -2.284 -29.748  1.00 95.74           C  
+ATOM   1053  C   CYS A 139      22.990  -3.031 -28.442  1.00 95.74           C  
+ATOM   1054  CB  CYS A 139      21.899  -1.886 -30.376  1.00 95.74           C  
+ATOM   1055  O   CYS A 139      23.059  -2.441 -27.363  1.00 95.74           O  
+ATOM   1056  SG  CYS A 139      20.968  -0.682 -29.404  1.00 95.74           S  
+ATOM   1057  N   PHE A 140      22.685  -4.275 -28.531  1.00 95.37           N  
+ATOM   1058  CA  PHE A 140      22.488  -5.124 -27.361  1.00 95.37           C  
+ATOM   1059  C   PHE A 140      23.734  -5.133 -26.483  1.00 95.37           C  
+ATOM   1060  CB  PHE A 140      22.135  -6.553 -27.785  1.00 95.37           C  
+ATOM   1061  O   PHE A 140      23.634  -5.100 -25.254  1.00 95.37           O  
+ATOM   1062  CG  PHE A 140      22.045  -7.522 -26.638  1.00 95.37           C  
+ATOM   1063  CD1 PHE A 140      23.027  -8.486 -26.445  1.00 95.37           C  
+ATOM   1064  CD2 PHE A 140      20.978  -7.469 -25.751  1.00 95.37           C  
+ATOM   1065  CE1 PHE A 140      22.947  -9.384 -25.384  1.00 95.37           C  
+ATOM   1066  CE2 PHE A 140      20.891  -8.363 -24.688  1.00 95.37           C  
+ATOM   1067  CZ  PHE A 140      21.875  -9.321 -24.507  1.00 95.37           C  
+ATOM   1068  N   ASN A 141      24.916  -5.142 -27.071  1.00 92.72           N  
+ATOM   1069  CA  ASN A 141      26.184  -5.144 -26.349  1.00 92.72           C  
+ATOM   1070  C   ASN A 141      26.393  -3.842 -25.580  1.00 92.72           C  
+ATOM   1071  CB  ASN A 141      27.349  -5.386 -27.310  1.00 92.72           C  
+ATOM   1072  O   ASN A 141      27.231  -3.776 -24.679  1.00 92.72           O  
+ATOM   1073  CG  ASN A 141      27.411  -6.819 -27.803  1.00 92.72           C  
+ATOM   1074  ND2 ASN A 141      27.949  -7.010 -29.002  1.00 92.72           N  
+ATOM   1075  OD1 ASN A 141      26.979  -7.745 -27.113  1.00 92.72           O  
+ATOM   1076  N   ARG A 142      25.568  -2.807 -25.888  1.00 92.41           N  
+ATOM   1077  CA  ARG A 142      25.621  -1.516 -25.211  1.00 92.41           C  
+ATOM   1078  C   ARG A 142      24.399  -1.314 -24.321  1.00 92.41           C  
+ATOM   1079  CB  ARG A 142      25.721  -0.378 -26.229  1.00 92.41           C  
+ATOM   1080  O   ARG A 142      23.900  -0.195 -24.188  1.00 92.41           O  
+ATOM   1081  CG  ARG A 142      27.030  -0.358 -27.003  1.00 92.41           C  
+ATOM   1082  CD  ARG A 142      27.037   0.727 -28.071  1.00 92.41           C  
+ATOM   1083  NE  ARG A 142      26.968   2.062 -27.483  1.00 92.41           N  
+ATOM   1084  NH1 ARG A 142      26.774   3.166 -29.503  1.00 92.41           N  
+ATOM   1085  NH2 ARG A 142      26.792   4.351 -27.541  1.00 92.41           N  
+ATOM   1086  CZ  ARG A 142      26.845   3.190 -28.177  1.00 92.41           C  
+ATOM   1087  N   SER A 143      23.847  -2.429 -23.911  1.00 91.21           N  
+ATOM   1088  CA  SER A 143      22.580  -2.432 -23.187  1.00 91.21           C  
+ATOM   1089  C   SER A 143      22.697  -1.679 -21.865  1.00 91.21           C  
+ATOM   1090  CB  SER A 143      22.114  -3.865 -22.928  1.00 91.21           C  
+ATOM   1091  O   SER A 143      21.687  -1.373 -21.228  1.00 91.21           O  
+ATOM   1092  OG  SER A 143      23.096  -4.591 -22.208  1.00 91.21           O  
+ATOM   1093  N   ARG A 144      23.899  -1.310 -21.473  1.00 86.81           N  
+ATOM   1094  CA  ARG A 144      24.089  -0.543 -20.246  1.00 86.81           C  
+ATOM   1095  C   ARG A 144      23.633   0.901 -20.426  1.00 86.81           C  
+ATOM   1096  CB  ARG A 144      25.556  -0.578 -19.811  1.00 86.81           C  
+ATOM   1097  O   ARG A 144      23.445   1.625 -19.446  1.00 86.81           O  
+ATOM   1098  CG  ARG A 144      26.507   0.080 -20.798  1.00 86.81           C  
+ATOM   1099  CD  ARG A 144      27.949   0.026 -20.314  1.00 86.81           C  
+ATOM   1100  NE  ARG A 144      28.867   0.611 -21.287  1.00 86.81           N  
+ATOM   1101  NH1 ARG A 144      30.780  -0.214 -20.288  1.00 86.81           N  
+ATOM   1102  NH2 ARG A 144      30.931   1.057 -22.190  1.00 86.81           N  
+ATOM   1103  CZ  ARG A 144      30.191   0.483 -21.253  1.00 86.81           C  
+ATOM   1104  N   GLU A 145      23.437   1.357 -21.675  1.00 90.00           N  
+ATOM   1105  CA  GLU A 145      23.132   2.747 -22.000  1.00 90.00           C  
+ATOM   1106  C   GLU A 145      21.626   2.985 -22.047  1.00 90.00           C  
+ATOM   1107  CB  GLU A 145      23.769   3.140 -23.335  1.00 90.00           C  
+ATOM   1108  O   GLU A 145      21.176   4.124 -22.194  1.00 90.00           O  
+ATOM   1109  CG  GLU A 145      25.290   3.109 -23.324  1.00 90.00           C  
+ATOM   1110  CD  GLU A 145      25.908   3.487 -24.660  1.00 90.00           C  
+ATOM   1111  OE1 GLU A 145      26.878   2.822 -25.091  1.00 90.00           O  
+ATOM   1112  OE2 GLU A 145      25.420   4.457 -25.282  1.00 90.00           O  
+ATOM   1113  N   TYR A 146      20.936   1.896 -21.986  1.00 90.96           N  
+ATOM   1114  CA  TYR A 146      19.484   2.015 -21.936  1.00 90.96           C  
+ATOM   1115  C   TYR A 146      18.876   0.920 -21.068  1.00 90.96           C  
+ATOM   1116  CB  TYR A 146      18.890   1.953 -23.346  1.00 90.96           C  
+ATOM   1117  O   TYR A 146      19.568  -0.020 -20.670  1.00 90.96           O  
+ATOM   1118  CG  TYR A 146      19.231   0.687 -24.094  1.00 90.96           C  
+ATOM   1119  CD1 TYR A 146      20.450   0.552 -24.754  1.00 90.96           C  
+ATOM   1120  CD2 TYR A 146      18.336  -0.376 -24.142  1.00 90.96           C  
+ATOM   1121  CE1 TYR A 146      20.769  -0.612 -25.445  1.00 90.96           C  
+ATOM   1122  CE2 TYR A 146      18.643  -1.545 -24.830  1.00 90.96           C  
+ATOM   1123  OH  TYR A 146      20.170  -2.809 -26.160  1.00 90.96           O  
+ATOM   1124  CZ  TYR A 146      19.860  -1.654 -25.477  1.00 90.96           C  
+ATOM   1125  N   GLN A 147      17.619   0.970 -20.789  1.00 89.90           N  
+ATOM   1126  CA  GLN A 147      16.964   0.040 -19.875  1.00 89.90           C  
+ATOM   1127  C   GLN A 147      16.477  -1.205 -20.612  1.00 89.90           C  
+ATOM   1128  CB  GLN A 147      15.794   0.720 -19.164  1.00 89.90           C  
+ATOM   1129  O   GLN A 147      15.552  -1.130 -21.424  1.00 89.90           O  
+ATOM   1130  CG  GLN A 147      16.201   1.920 -18.319  1.00 89.90           C  
+ATOM   1131  CD  GLN A 147      17.070   1.537 -17.136  1.00 89.90           C  
+ATOM   1132  NE2 GLN A 147      17.980   2.427 -16.756  1.00 89.90           N  
+ATOM   1133  OE1 GLN A 147      16.924   0.450 -16.568  1.00 89.90           O  
+ATOM   1134  N   LEU A 148      17.153  -2.363 -20.376  1.00 93.17           N  
+ATOM   1135  CA  LEU A 148      16.809  -3.634 -21.004  1.00 93.17           C  
+ATOM   1136  C   LEU A 148      16.659  -4.734 -19.958  1.00 93.17           C  
+ATOM   1137  CB  LEU A 148      17.874  -4.031 -22.029  1.00 93.17           C  
+ATOM   1138  O   LEU A 148      17.458  -4.820 -19.023  1.00 93.17           O  
+ATOM   1139  CG  LEU A 148      17.596  -5.298 -22.840  1.00 93.17           C  
+ATOM   1140  CD1 LEU A 148      16.413  -5.078 -23.777  1.00 93.17           C  
+ATOM   1141  CD2 LEU A 148      18.835  -5.714 -23.625  1.00 93.17           C  
+ATOM   1142  N   ASN A 149      15.670  -5.552 -20.166  1.00 91.61           N  
+ATOM   1143  CA  ASN A 149      15.448  -6.680 -19.268  1.00 91.61           C  
+ATOM   1144  C   ASN A 149      16.613  -7.665 -19.306  1.00 91.61           C  
+ATOM   1145  CB  ASN A 149      14.139  -7.393 -19.615  1.00 91.61           C  
+ATOM   1146  O   ASN A 149      17.122  -7.990 -20.381  1.00 91.61           O  
+ATOM   1147  CG  ASN A 149      13.696  -8.360 -18.534  1.00 91.61           C  
+ATOM   1148  ND2 ASN A 149      12.503  -8.919 -18.692  1.00 91.61           N  
+ATOM   1149  OD1 ASN A 149      14.421  -8.601 -17.565  1.00 91.61           O  
+ATOM   1150  N   ASP A 150      16.971  -8.202 -18.137  1.00 91.82           N  
+ATOM   1151  CA  ASP A 150      18.100  -9.122 -18.033  1.00 91.82           C  
+ATOM   1152  C   ASP A 150      17.822 -10.420 -18.787  1.00 91.82           C  
+ATOM   1153  CB  ASP A 150      18.415  -9.422 -16.566  1.00 91.82           C  
+ATOM   1154  O   ASP A 150      18.749 -11.082 -19.258  1.00 91.82           O  
+ATOM   1155  CG  ASP A 150      18.991  -8.227 -15.827  1.00 91.82           C  
+ATOM   1156  OD1 ASP A 150      19.564  -7.326 -16.477  1.00 91.82           O  
+ATOM   1157  OD2 ASP A 150      18.874  -8.188 -14.583  1.00 91.82           O  
+ATOM   1158  N   SER A 151      16.497 -10.751 -18.945  1.00 93.60           N  
+ATOM   1159  CA  SER A 151      16.105 -12.023 -19.543  1.00 93.60           C  
+ATOM   1160  C   SER A 151      15.970 -11.904 -21.057  1.00 93.60           C  
+ATOM   1161  CB  SER A 151      14.787 -12.514 -18.942  1.00 93.60           C  
+ATOM   1162  O   SER A 151      15.542 -12.849 -21.724  1.00 93.60           O  
+ATOM   1163  OG  SER A 151      14.927 -12.756 -17.553  1.00 93.60           O  
+ATOM   1164  N   ALA A 152      16.328 -10.686 -21.610  1.00 94.97           N  
+ATOM   1165  CA  ALA A 152      16.136 -10.423 -23.033  1.00 94.97           C  
+ATOM   1166  C   ALA A 152      16.853 -11.467 -23.885  1.00 94.97           C  
+ATOM   1167  CB  ALA A 152      16.631  -9.023 -23.387  1.00 94.97           C  
+ATOM   1168  O   ALA A 152      16.243 -12.090 -24.758  1.00 94.97           O  
+ATOM   1169  N   ALA A 153      18.107 -11.687 -23.593  1.00 94.99           N  
+ATOM   1170  CA  ALA A 153      18.913 -12.619 -24.379  1.00 94.99           C  
+ATOM   1171  C   ALA A 153      18.386 -14.045 -24.248  1.00 94.99           C  
+ATOM   1172  CB  ALA A 153      20.375 -12.553 -23.945  1.00 94.99           C  
+ATOM   1173  O   ALA A 153      18.352 -14.793 -25.228  1.00 94.99           O  
+ATOM   1174  N   TYR A 154      17.941 -14.417 -23.140  1.00 95.81           N  
+ATOM   1175  CA  TYR A 154      17.408 -15.749 -22.878  1.00 95.81           C  
+ATOM   1176  C   TYR A 154      16.214 -16.045 -23.777  1.00 95.81           C  
+ATOM   1177  CB  TYR A 154      17.001 -15.886 -21.408  1.00 95.81           C  
+ATOM   1178  O   TYR A 154      16.172 -17.083 -24.442  1.00 95.81           O  
+ATOM   1179  CG  TYR A 154      16.274 -17.172 -21.097  1.00 95.81           C  
+ATOM   1180  CD1 TYR A 154      14.883 -17.210 -21.035  1.00 95.81           C  
+ATOM   1181  CD2 TYR A 154      16.975 -18.349 -20.863  1.00 95.81           C  
+ATOM   1182  CE1 TYR A 154      14.208 -18.392 -20.747  1.00 95.81           C  
+ATOM   1183  CE2 TYR A 154      16.311 -19.537 -20.574  1.00 95.81           C  
+ATOM   1184  OH  TYR A 154      14.267 -20.721 -20.233  1.00 95.81           O  
+ATOM   1185  CZ  TYR A 154      14.930 -19.548 -20.519  1.00 95.81           C  
+ATOM   1186  N   TYR A 155      15.271 -15.123 -23.864  1.00 96.12           N  
+ATOM   1187  CA  TYR A 155      14.058 -15.320 -24.651  1.00 96.12           C  
+ATOM   1188  C   TYR A 155      14.347 -15.183 -26.141  1.00 96.12           C  
+ATOM   1189  CB  TYR A 155      12.977 -14.318 -24.234  1.00 96.12           C  
+ATOM   1190  O   TYR A 155      13.875 -15.987 -26.948  1.00 96.12           O  
+ATOM   1191  CG  TYR A 155      12.394 -14.588 -22.868  1.00 96.12           C  
+ATOM   1192  CD1 TYR A 155      11.927 -15.856 -22.527  1.00 96.12           C  
+ATOM   1193  CD2 TYR A 155      12.308 -13.577 -21.917  1.00 96.12           C  
+ATOM   1194  CE1 TYR A 155      11.386 -16.109 -21.270  1.00 96.12           C  
+ATOM   1195  CE2 TYR A 155      11.769 -13.819 -20.657  1.00 96.12           C  
+ATOM   1196  OH  TYR A 155      10.779 -15.330 -19.098  1.00 96.12           O  
+ATOM   1197  CZ  TYR A 155      11.313 -15.086 -20.344  1.00 96.12           C  
+ATOM   1198  N   LEU A 156      15.181 -14.204 -26.499  1.00 96.20           N  
+ATOM   1199  CA  LEU A 156      15.437 -13.936 -27.910  1.00 96.20           C  
+ATOM   1200  C   LEU A 156      16.264 -15.055 -28.534  1.00 96.20           C  
+ATOM   1201  CB  LEU A 156      16.158 -12.597 -28.080  1.00 96.20           C  
+ATOM   1202  O   LEU A 156      16.086 -15.384 -29.709  1.00 96.20           O  
+ATOM   1203  CG  LEU A 156      15.340 -11.342 -27.768  1.00 96.20           C  
+ATOM   1204  CD1 LEU A 156      16.246 -10.116 -27.729  1.00 96.20           C  
+ATOM   1205  CD2 LEU A 156      14.227 -11.160 -28.794  1.00 96.20           C  
+ATOM   1206  N   ASN A 157      17.113 -15.704 -27.757  1.00 96.22           N  
+ATOM   1207  CA  ASN A 157      17.918 -16.816 -28.251  1.00 96.22           C  
+ATOM   1208  C   ASN A 157      17.078 -18.077 -28.437  1.00 96.22           C  
+ATOM   1209  CB  ASN A 157      19.089 -17.093 -27.306  1.00 96.22           C  
+ATOM   1210  O   ASN A 157      17.392 -18.917 -29.282  1.00 96.22           O  
+ATOM   1211  CG  ASN A 157      20.174 -16.038 -27.397  1.00 96.22           C  
+ATOM   1212  ND2 ASN A 157      20.973 -15.917 -26.343  1.00 96.22           N  
+ATOM   1213  OD1 ASN A 157      20.293 -15.337 -28.405  1.00 96.22           O  
+ATOM   1214  N   ASP A 158      16.007 -18.204 -27.712  1.00 95.00           N  
+ATOM   1215  CA  ASP A 158      15.169 -19.398 -27.760  1.00 95.00           C  
+ATOM   1216  C   ASP A 158      13.800 -19.085 -28.361  1.00 95.00           C  
+ATOM   1217  CB  ASP A 158      15.004 -19.994 -26.361  1.00 95.00           C  
+ATOM   1218  O   ASP A 158      12.792 -19.671 -27.962  1.00 95.00           O  
+ATOM   1219  CG  ASP A 158      16.140 -20.927 -25.976  1.00 95.00           C  
+ATOM   1220  OD1 ASP A 158      16.876 -21.393 -26.872  1.00 95.00           O  
+ATOM   1221  OD2 ASP A 158      16.298 -21.200 -24.767  1.00 95.00           O  
+ATOM   1222  N   LEU A 159      13.785 -18.111 -29.250  1.00 94.03           N  
+ATOM   1223  CA  LEU A 159      12.551 -17.631 -29.862  1.00 94.03           C  
+ATOM   1224  C   LEU A 159      11.864 -18.746 -30.644  1.00 94.03           C  
+ATOM   1225  CB  LEU A 159      12.837 -16.445 -30.787  1.00 94.03           C  
+ATOM   1226  O   LEU A 159      10.633 -18.794 -30.713  1.00 94.03           O  
+ATOM   1227  CG  LEU A 159      11.619 -15.669 -31.291  1.00 94.03           C  
+ATOM   1228  CD1 LEU A 159      10.866 -15.047 -30.119  1.00 94.03           C  
+ATOM   1229  CD2 LEU A 159      12.042 -14.599 -32.290  1.00 94.03           C  
+ATOM   1230  N   ASP A 160      12.572 -19.661 -31.155  1.00 92.60           N  
+ATOM   1231  CA  ASP A 160      12.005 -20.771 -31.915  1.00 92.60           C  
+ATOM   1232  C   ASP A 160      11.114 -21.642 -31.033  1.00 92.60           C  
+ATOM   1233  CB  ASP A 160      13.117 -21.617 -32.538  1.00 92.60           C  
+ATOM   1234  O   ASP A 160      10.030 -22.054 -31.452  1.00 92.60           O  
+ATOM   1235  CG  ASP A 160      13.814 -20.923 -33.695  1.00 92.60           C  
+ATOM   1236  OD1 ASP A 160      13.157 -20.152 -34.428  1.00 92.60           O  
+ATOM   1237  OD2 ASP A 160      15.029 -21.151 -33.877  1.00 92.60           O  
+ATOM   1238  N   ARG A 161      11.584 -21.844 -29.792  1.00 94.54           N  
+ATOM   1239  CA  ARG A 161      10.818 -22.623 -28.824  1.00 94.54           C  
+ATOM   1240  C   ARG A 161       9.605 -21.842 -28.330  1.00 94.54           C  
+ATOM   1241  CB  ARG A 161      11.699 -23.028 -27.641  1.00 94.54           C  
+ATOM   1242  O   ARG A 161       8.501 -22.384 -28.251  1.00 94.54           O  
+ATOM   1243  CG  ARG A 161      10.969 -23.830 -26.575  1.00 94.54           C  
+ATOM   1244  CD  ARG A 161      11.872 -24.148 -25.391  1.00 94.54           C  
+ATOM   1245  NE  ARG A 161      12.268 -22.938 -24.675  1.00 94.54           N  
+ATOM   1246  NH1 ARG A 161      10.424 -22.909 -23.285  1.00 94.54           N  
+ATOM   1247  NH2 ARG A 161      12.024 -21.277 -23.108  1.00 94.54           N  
+ATOM   1248  CZ  ARG A 161      11.571 -22.378 -23.691  1.00 94.54           C  
+ATOM   1249  N   ILE A 162       9.808 -20.589 -28.144  1.00 93.30           N  
+ATOM   1250  CA  ILE A 162       8.797 -19.741 -27.523  1.00 93.30           C  
+ATOM   1251  C   ILE A 162       7.705 -19.410 -28.538  1.00 93.30           C  
+ATOM   1252  CB  ILE A 162       9.417 -18.442 -26.960  1.00 93.30           C  
+ATOM   1253  O   ILE A 162       6.547 -19.202 -28.169  1.00 93.30           O  
+ATOM   1254  CG1 ILE A 162      10.403 -18.766 -25.832  1.00 93.30           C  
+ATOM   1255  CG2 ILE A 162       8.322 -17.488 -26.473  1.00 93.30           C  
+ATOM   1256  CD1 ILE A 162      11.253 -17.582 -25.393  1.00 93.30           C  
+ATOM   1257  N   ALA A 163       8.010 -19.406 -29.816  1.00 92.38           N  
+ATOM   1258  CA  ALA A 163       7.089 -18.970 -30.863  1.00 92.38           C  
+ATOM   1259  C   ALA A 163       6.221 -20.128 -31.347  1.00 92.38           C  
+ATOM   1260  CB  ALA A 163       7.861 -18.362 -32.031  1.00 92.38           C  
+ATOM   1261  O   ALA A 163       5.302 -19.932 -32.146  1.00 92.38           O  
+ATOM   1262  N   GLN A 164       6.431 -21.359 -30.793  1.00 91.84           N  
+ATOM   1263  CA  GLN A 164       5.608 -22.503 -31.173  1.00 91.84           C  
+ATOM   1264  C   GLN A 164       4.175 -22.339 -30.673  1.00 91.84           C  
+ATOM   1265  CB  GLN A 164       6.208 -23.801 -30.630  1.00 91.84           C  
+ATOM   1266  O   GLN A 164       3.949 -21.811 -29.583  1.00 91.84           O  
+ATOM   1267  CG  GLN A 164       7.543 -24.173 -31.263  1.00 91.84           C  
+ATOM   1268  CD  GLN A 164       7.410 -24.572 -32.720  1.00 91.84           C  
+ATOM   1269  NE2 GLN A 164       8.480 -24.385 -33.486  1.00 91.84           N  
+ATOM   1270  OE1 GLN A 164       6.355 -25.045 -33.155  1.00 91.84           O  
+ATOM   1271  N   PRO A 165       3.160 -22.649 -31.452  1.00 86.94           N  
+ATOM   1272  CA  PRO A 165       1.752 -22.503 -31.078  1.00 86.94           C  
+ATOM   1273  C   PRO A 165       1.386 -23.307 -29.832  1.00 86.94           C  
+ATOM   1274  CB  PRO A 165       1.004 -23.029 -32.306  1.00 86.94           C  
+ATOM   1275  O   PRO A 165       0.525 -22.888 -29.054  1.00 86.94           O  
+ATOM   1276  CG  PRO A 165       2.002 -22.964 -33.417  1.00 86.94           C  
+ATOM   1277  CD  PRO A 165       3.380 -23.057 -32.826  1.00 86.94           C  
+ATOM   1278  N   ASN A 166       2.123 -24.416 -29.579  1.00 90.63           N  
+ATOM   1279  CA  ASN A 166       1.830 -25.246 -28.416  1.00 90.63           C  
+ATOM   1280  C   ASN A 166       2.807 -24.978 -27.275  1.00 90.63           C  
+ATOM   1281  CB  ASN A 166       1.852 -26.728 -28.796  1.00 90.63           C  
+ATOM   1282  O   ASN A 166       3.009 -25.833 -26.411  1.00 90.63           O  
+ATOM   1283  CG  ASN A 166       3.182 -27.163 -29.379  1.00 90.63           C  
+ATOM   1284  ND2 ASN A 166       3.456 -28.461 -29.328  1.00 90.63           N  
+ATOM   1285  OD1 ASN A 166       3.957 -26.338 -29.870  1.00 90.63           O  
+ATOM   1286  N   TYR A 167       3.434 -23.895 -27.275  1.00 92.55           N  
+ATOM   1287  CA  TYR A 167       4.432 -23.544 -26.271  1.00 92.55           C  
+ATOM   1288  C   TYR A 167       3.794 -23.399 -24.895  1.00 92.55           C  
+ATOM   1289  CB  TYR A 167       5.148 -22.246 -26.655  1.00 92.55           C  
+ATOM   1290  O   TYR A 167       2.806 -22.678 -24.735  1.00 92.55           O  
+ATOM   1291  CG  TYR A 167       5.977 -21.657 -25.540  1.00 92.55           C  
+ATOM   1292  CD1 TYR A 167       5.665 -20.414 -24.995  1.00 92.55           C  
+ATOM   1293  CD2 TYR A 167       7.075 -22.342 -25.030  1.00 92.55           C  
+ATOM   1294  CE1 TYR A 167       6.427 -19.866 -23.968  1.00 92.55           C  
+ATOM   1295  CE2 TYR A 167       7.844 -21.804 -24.003  1.00 92.55           C  
+ATOM   1296  OH  TYR A 167       8.271 -20.031 -22.463  1.00 92.55           O  
+ATOM   1297  CZ  TYR A 167       7.513 -20.568 -23.479  1.00 92.55           C  
+ATOM   1298  N   ILE A 168       4.375 -24.139 -24.006  1.00 93.00           N  
+ATOM   1299  CA  ILE A 168       4.054 -24.002 -22.590  1.00 93.00           C  
+ATOM   1300  C   ILE A 168       5.308 -23.610 -21.812  1.00 93.00           C  
+ATOM   1301  CB  ILE A 168       3.453 -25.305 -22.018  1.00 93.00           C  
+ATOM   1302  O   ILE A 168       6.326 -24.302 -21.874  1.00 93.00           O  
+ATOM   1303  CG1 ILE A 168       2.186 -25.693 -22.788  1.00 93.00           C  
+ATOM   1304  CG2 ILE A 168       3.160 -25.153 -20.522  1.00 93.00           C  
+ATOM   1305  CD1 ILE A 168       1.637 -27.066 -22.425  1.00 93.00           C  
+ATOM   1306  N   PRO A 169       5.265 -22.463 -21.153  1.00 95.85           N  
+ATOM   1307  CA  PRO A 169       6.446 -22.005 -20.416  1.00 95.85           C  
+ATOM   1308  C   PRO A 169       6.966 -23.048 -19.430  1.00 95.85           C  
+ATOM   1309  CB  PRO A 169       5.941 -20.761 -19.680  1.00 95.85           C  
+ATOM   1310  O   PRO A 169       6.176 -23.727 -18.769  1.00 95.85           O  
+ATOM   1311  CG  PRO A 169       4.786 -20.277 -20.496  1.00 95.85           C  
+ATOM   1312  CD  PRO A 169       4.087 -21.468 -21.086  1.00 95.85           C  
+ATOM   1313  N   THR A 170       8.286 -23.130 -19.438  1.00 95.21           N  
+ATOM   1314  CA  THR A 170       8.941 -23.983 -18.452  1.00 95.21           C  
+ATOM   1315  C   THR A 170       9.083 -23.257 -17.118  1.00 95.21           C  
+ATOM   1316  CB  THR A 170      10.328 -24.439 -18.942  1.00 95.21           C  
+ATOM   1317  O   THR A 170       8.815 -22.057 -17.027  1.00 95.21           O  
+ATOM   1318  CG2 THR A 170      10.237 -25.109 -20.309  1.00 95.21           C  
+ATOM   1319  OG1 THR A 170      11.193 -23.300 -19.038  1.00 95.21           O  
+ATOM   1320  N   GLN A 171       9.425 -23.946 -16.150  1.00 94.27           N  
+ATOM   1321  CA  GLN A 171       9.654 -23.316 -14.854  1.00 94.27           C  
+ATOM   1322  C   GLN A 171      10.760 -22.268 -14.940  1.00 94.27           C  
+ATOM   1323  CB  GLN A 171      10.008 -24.367 -13.801  1.00 94.27           C  
+ATOM   1324  O   GLN A 171      10.711 -21.248 -14.250  1.00 94.27           O  
+ATOM   1325  CG  GLN A 171       8.835 -25.248 -13.393  1.00 94.27           C  
+ATOM   1326  CD  GLN A 171       9.156 -26.142 -12.210  1.00 94.27           C  
+ATOM   1327  NE2 GLN A 171       8.354 -27.184 -12.020  1.00 94.27           N  
+ATOM   1328  OE1 GLN A 171      10.118 -25.899 -11.474  1.00 94.27           O  
+ATOM   1329  N   GLN A 172      11.679 -22.566 -15.842  1.00 94.53           N  
+ATOM   1330  CA  GLN A 172      12.766 -21.617 -16.059  1.00 94.53           C  
+ATOM   1331  C   GLN A 172      12.258 -20.345 -16.732  1.00 94.53           C  
+ATOM   1332  CB  GLN A 172      13.873 -22.251 -16.903  1.00 94.53           C  
+ATOM   1333  O   GLN A 172      12.704 -19.243 -16.404  1.00 94.53           O  
+ATOM   1334  CG  GLN A 172      15.158 -21.435 -16.945  1.00 94.53           C  
+ATOM   1335  CD  GLN A 172      15.754 -21.207 -15.569  1.00 94.53           C  
+ATOM   1336  NE2 GLN A 172      16.513 -20.126 -15.423  1.00 94.53           N  
+ATOM   1337  OE1 GLN A 172      15.532 -21.995 -14.644  1.00 94.53           O  
+ATOM   1338  N   ASP A 173      11.291 -20.532 -17.643  1.00 95.74           N  
+ATOM   1339  CA  ASP A 173      10.668 -19.377 -18.282  1.00 95.74           C  
+ATOM   1340  C   ASP A 173       9.916 -18.525 -17.262  1.00 95.74           C  
+ATOM   1341  CB  ASP A 173       9.717 -19.827 -19.394  1.00 95.74           C  
+ATOM   1342  O   ASP A 173      10.003 -17.295 -17.289  1.00 95.74           O  
+ATOM   1343  CG  ASP A 173      10.435 -20.500 -20.550  1.00 95.74           C  
+ATOM   1344  OD1 ASP A 173      11.624 -20.199 -20.789  1.00 95.74           O  
+ATOM   1345  OD2 ASP A 173       9.804 -21.338 -21.231  1.00 95.74           O  
+ATOM   1346  N   VAL A 174       9.337 -19.257 -16.408  1.00 95.19           N  
+ATOM   1347  CA  VAL A 174       8.543 -18.583 -15.386  1.00 95.19           C  
+ATOM   1348  C   VAL A 174       9.460 -17.785 -14.462  1.00 95.19           C  
+ATOM   1349  CB  VAL A 174       7.703 -19.588 -14.565  1.00 95.19           C  
+ATOM   1350  O   VAL A 174       9.177 -16.626 -14.147  1.00 95.19           O  
+ATOM   1351  CG1 VAL A 174       6.982 -18.880 -13.420  1.00 95.19           C  
+ATOM   1352  CG2 VAL A 174       6.703 -20.308 -15.467  1.00 95.19           C  
+ATOM   1353  N   LEU A 175      10.580 -18.306 -14.077  1.00 95.12           N  
+ATOM   1354  CA  LEU A 175      11.535 -17.650 -13.190  1.00 95.12           C  
+ATOM   1355  C   LEU A 175      12.090 -16.383 -13.831  1.00 95.12           C  
+ATOM   1356  CB  LEU A 175      12.681 -18.602 -12.839  1.00 95.12           C  
+ATOM   1357  O   LEU A 175      12.411 -15.419 -13.133  1.00 95.12           O  
+ATOM   1358  CG  LEU A 175      12.356 -19.717 -11.843  1.00 95.12           C  
+ATOM   1359  CD1 LEU A 175      13.545 -20.660 -11.696  1.00 95.12           C  
+ATOM   1360  CD2 LEU A 175      11.962 -19.129 -10.492  1.00 95.12           C  
+ATOM   1361  N   ARG A 176      12.081 -16.283 -15.130  1.00 94.96           N  
+ATOM   1362  CA  ARG A 176      12.756 -15.199 -15.835  1.00 94.96           C  
+ATOM   1363  C   ARG A 176      11.763 -14.125 -16.269  1.00 94.96           C  
+ATOM   1364  CB  ARG A 176      13.511 -15.736 -17.053  1.00 94.96           C  
+ATOM   1365  O   ARG A 176      12.153 -13.105 -16.840  1.00 94.96           O  
+ATOM   1366  CG  ARG A 176      14.721 -16.587 -16.701  1.00 94.96           C  
+ATOM   1367  CD  ARG A 176      15.573 -16.889 -17.926  1.00 94.96           C  
+ATOM   1368  NE  ARG A 176      16.805 -17.586 -17.567  1.00 94.96           N  
+ATOM   1369  NH1 ARG A 176      18.214 -16.014 -18.506  1.00 94.96           N  
+ATOM   1370  NH2 ARG A 176      19.082 -17.869 -17.476  1.00 94.96           N  
+ATOM   1371  CZ  ARG A 176      18.031 -17.155 -17.851  1.00 94.96           C  
+ATOM   1372  N   THR A 177      10.540 -14.440 -15.993  1.00 94.40           N  
+ATOM   1373  CA  THR A 177       9.535 -13.437 -16.326  1.00 94.40           C  
+ATOM   1374  C   THR A 177       9.671 -12.214 -15.423  1.00 94.40           C  
+ATOM   1375  CB  THR A 177       8.111 -14.011 -16.206  1.00 94.40           C  
+ATOM   1376  O   THR A 177      10.110 -12.329 -14.276  1.00 94.40           O  
+ATOM   1377  CG2 THR A 177       7.903 -15.172 -17.173  1.00 94.40           C  
+ATOM   1378  OG1 THR A 177       7.901 -14.475 -14.867  1.00 94.40           O  
+ATOM   1379  N   ARG A 178       9.275 -11.082 -16.033  1.00 91.19           N  
+ATOM   1380  CA  ARG A 178       9.314  -9.837 -15.273  1.00 91.19           C  
+ATOM   1381  C   ARG A 178       7.932  -9.194 -15.204  1.00 91.19           C  
+ATOM   1382  CB  ARG A 178      10.316  -8.860 -15.890  1.00 91.19           C  
+ATOM   1383  O   ARG A 178       7.337  -8.878 -16.236  1.00 91.19           O  
+ATOM   1384  CG  ARG A 178      10.419  -7.534 -15.153  1.00 91.19           C  
+ATOM   1385  CD  ARG A 178      11.373  -6.574 -15.850  1.00 91.19           C  
+ATOM   1386  NE  ARG A 178      11.427  -5.282 -15.172  1.00 91.19           N  
+ATOM   1387  NH1 ARG A 178      13.065  -4.399 -16.541  1.00 91.19           N  
+ATOM   1388  NH2 ARG A 178      12.197  -3.146 -14.830  1.00 91.19           N  
+ATOM   1389  CZ  ARG A 178      12.230  -4.279 -15.516  1.00 91.19           C  
+ATOM   1390  N   VAL A 179       7.570  -9.065 -13.923  1.00 87.95           N  
+ATOM   1391  CA  VAL A 179       6.352  -8.326 -13.609  1.00 87.95           C  
+ATOM   1392  C   VAL A 179       6.623  -7.343 -12.472  1.00 87.95           C  
+ATOM   1393  CB  VAL A 179       5.194  -9.275 -13.229  1.00 87.95           C  
+ATOM   1394  O   VAL A 179       7.094  -7.736 -11.402  1.00 87.95           O  
+ATOM   1395  CG1 VAL A 179       3.917  -8.485 -12.950  1.00 87.95           C  
+ATOM   1396  CG2 VAL A 179       4.960 -10.301 -14.336  1.00 87.95           C  
+ATOM   1397  N   LYS A 180       6.363  -6.094 -12.802  1.00 85.52           N  
+ATOM   1398  CA  LYS A 180       6.545  -5.096 -11.752  1.00 85.52           C  
+ATOM   1399  C   LYS A 180       5.687  -5.419 -10.532  1.00 85.52           C  
+ATOM   1400  CB  LYS A 180       6.208  -3.699 -12.274  1.00 85.52           C  
+ATOM   1401  O   LYS A 180       4.490  -5.685 -10.661  1.00 85.52           O  
+ATOM   1402  CG  LYS A 180       7.185  -3.177 -13.318  1.00 85.52           C  
+ATOM   1403  CD  LYS A 180       6.818  -1.770 -13.773  1.00 85.52           C  
+ATOM   1404  CE  LYS A 180       7.709  -1.300 -14.914  1.00 85.52           C  
+ATOM   1405  NZ  LYS A 180       7.326   0.062 -15.392  1.00 85.52           N  
+ATOM   1406  N   THR A 181       6.376  -5.568  -9.415  1.00 84.87           N  
+ATOM   1407  CA  THR A 181       5.636  -5.860  -8.193  1.00 84.87           C  
+ATOM   1408  C   THR A 181       5.019  -4.588  -7.618  1.00 84.87           C  
+ATOM   1409  CB  THR A 181       6.540  -6.519  -7.135  1.00 84.87           C  
+ATOM   1410  O   THR A 181       5.723  -3.605  -7.377  1.00 84.87           O  
+ATOM   1411  CG2 THR A 181       5.732  -6.964  -5.921  1.00 84.87           C  
+ATOM   1412  OG1 THR A 181       7.185  -7.661  -7.711  1.00 84.87           O  
+ATOM   1413  N   THR A 182       3.665  -4.615  -7.583  1.00 78.04           N  
+ATOM   1414  CA  THR A 182       2.952  -3.498  -6.973  1.00 78.04           C  
+ATOM   1415  C   THR A 182       2.401  -3.891  -5.605  1.00 78.04           C  
+ATOM   1416  CB  THR A 182       1.800  -3.012  -7.872  1.00 78.04           C  
+ATOM   1417  O   THR A 182       1.892  -5.001  -5.430  1.00 78.04           O  
+ATOM   1418  CG2 THR A 182       2.323  -2.523  -9.219  1.00 78.04           C  
+ATOM   1419  OG1 THR A 182       0.884  -4.092  -8.092  1.00 78.04           O  
+ATOM   1420  N   GLY A 183       2.784  -3.212  -4.599  1.00 78.33           N  
+ATOM   1421  CA  GLY A 183       2.289  -3.484  -3.259  1.00 78.33           C  
+ATOM   1422  C   GLY A 183       3.098  -4.538  -2.526  1.00 78.33           C  
+ATOM   1423  O   GLY A 183       4.314  -4.631  -2.707  1.00 78.33           O  
+ATOM   1424  N   ILE A 184       2.431  -5.296  -1.616  1.00 84.53           N  
+ATOM   1425  CA  ILE A 184       3.061  -6.316  -0.784  1.00 84.53           C  
+ATOM   1426  C   ILE A 184       2.466  -7.685  -1.107  1.00 84.53           C  
+ATOM   1427  CB  ILE A 184       2.894  -6.000   0.719  1.00 84.53           C  
+ATOM   1428  O   ILE A 184       1.248  -7.870  -1.043  1.00 84.53           O  
+ATOM   1429  CG1 ILE A 184       3.450  -4.608   1.037  1.00 84.53           C  
+ATOM   1430  CG2 ILE A 184       3.577  -7.072   1.574  1.00 84.53           C  
+ATOM   1431  CD1 ILE A 184       3.086  -4.098   2.425  1.00 84.53           C  
+ATOM   1432  N   VAL A 185       3.324  -8.574  -1.578  1.00 86.39           N  
+ATOM   1433  CA  VAL A 185       2.897  -9.937  -1.878  1.00 86.39           C  
+ATOM   1434  C   VAL A 185       3.380 -10.883  -0.781  1.00 86.39           C  
+ATOM   1435  CB  VAL A 185       3.420 -10.405  -3.255  1.00 86.39           C  
+ATOM   1436  O   VAL A 185       4.564 -10.893  -0.438  1.00 86.39           O  
+ATOM   1437  CG1 VAL A 185       3.001 -11.848  -3.529  1.00 86.39           C  
+ATOM   1438  CG2 VAL A 185       2.915  -9.480  -4.360  1.00 86.39           C  
+ATOM   1439  N   GLU A 186       2.405 -11.688  -0.276  1.00 88.76           N  
+ATOM   1440  CA  GLU A 186       2.703 -12.633   0.796  1.00 88.76           C  
+ATOM   1441  C   GLU A 186       2.694 -14.070   0.282  1.00 88.76           C  
+ATOM   1442  CB  GLU A 186       1.702 -12.479   1.943  1.00 88.76           C  
+ATOM   1443  O   GLU A 186       1.757 -14.484  -0.404  1.00 88.76           O  
+ATOM   1444  CG  GLU A 186       1.970 -13.402   3.123  1.00 88.76           C  
+ATOM   1445  CD  GLU A 186       0.936 -13.277   4.230  1.00 88.76           C  
+ATOM   1446  OE1 GLU A 186       0.908 -14.142   5.135  1.00 88.76           O  
+ATOM   1447  OE2 GLU A 186       0.147 -12.307   4.192  1.00 88.76           O  
+ATOM   1448  N   THR A 187       3.774 -14.838   0.606  1.00 88.87           N  
+ATOM   1449  CA  THR A 187       3.884 -16.242   0.227  1.00 88.87           C  
+ATOM   1450  C   THR A 187       4.193 -17.108   1.445  1.00 88.87           C  
+ATOM   1451  CB  THR A 187       4.973 -16.449  -0.842  1.00 88.87           C  
+ATOM   1452  O   THR A 187       5.041 -16.753   2.267  1.00 88.87           O  
+ATOM   1453  CG2 THR A 187       5.024 -17.902  -1.302  1.00 88.87           C  
+ATOM   1454  OG1 THR A 187       4.691 -15.612  -1.970  1.00 88.87           O  
+ATOM   1455  N   HIS A 188       3.477 -18.265   1.523  1.00 89.61           N  
+ATOM   1456  CA  HIS A 188       3.646 -19.186   2.642  1.00 89.61           C  
+ATOM   1457  C   HIS A 188       4.284 -20.494   2.188  1.00 89.61           C  
+ATOM   1458  CB  HIS A 188       2.300 -19.464   3.315  1.00 89.61           C  
+ATOM   1459  O   HIS A 188       3.963 -21.006   1.113  1.00 89.61           O  
+ATOM   1460  CG  HIS A 188       1.613 -18.232   3.813  1.00 89.61           C  
+ATOM   1461  CD2 HIS A 188       1.783 -16.928   3.493  1.00 89.61           C  
+ATOM   1462  ND1 HIS A 188       0.616 -18.270   4.763  1.00 89.61           N  
+ATOM   1463  CE1 HIS A 188       0.200 -17.038   5.006  1.00 89.61           C  
+ATOM   1464  NE2 HIS A 188       0.893 -16.205   4.248  1.00 89.61           N  
+ATOM   1465  N   PHE A 189       5.244 -20.991   2.963  1.00 90.34           N  
+ATOM   1466  CA  PHE A 189       5.796 -22.315   2.703  1.00 90.34           C  
+ATOM   1467  C   PHE A 189       6.350 -22.932   3.981  1.00 90.34           C  
+ATOM   1468  CB  PHE A 189       6.893 -22.242   1.636  1.00 90.34           C  
+ATOM   1469  O   PHE A 189       6.586 -22.227   4.965  1.00 90.34           O  
+ATOM   1470  CG  PHE A 189       8.067 -21.387   2.031  1.00 90.34           C  
+ATOM   1471  CD1 PHE A 189       8.057 -20.017   1.798  1.00 90.34           C  
+ATOM   1472  CD2 PHE A 189       9.181 -21.953   2.636  1.00 90.34           C  
+ATOM   1473  CE1 PHE A 189       9.142 -19.223   2.163  1.00 90.34           C  
+ATOM   1474  CE2 PHE A 189      10.269 -21.166   3.003  1.00 90.34           C  
+ATOM   1475  CZ  PHE A 189      10.248 -19.802   2.765  1.00 90.34           C  
+ATOM   1476  N   THR A 190       6.356 -24.246   4.005  1.00 86.78           N  
+ATOM   1477  CA  THR A 190       6.855 -24.982   5.161  1.00 86.78           C  
+ATOM   1478  C   THR A 190       8.200 -25.633   4.850  1.00 86.78           C  
+ATOM   1479  CB  THR A 190       5.853 -26.061   5.612  1.00 86.78           C  
+ATOM   1480  O   THR A 190       8.364 -26.259   3.800  1.00 86.78           O  
+ATOM   1481  CG2 THR A 190       6.339 -26.772   6.871  1.00 86.78           C  
+ATOM   1482  OG1 THR A 190       4.588 -25.445   5.884  1.00 86.78           O  
+ATOM   1483  N   PHE A 191       9.114 -25.385   5.817  1.00 86.30           N  
+ATOM   1484  CA  PHE A 191      10.451 -25.951   5.684  1.00 86.30           C  
+ATOM   1485  C   PHE A 191      11.008 -26.350   7.046  1.00 86.30           C  
+ATOM   1486  CB  PHE A 191      11.394 -24.954   5.004  1.00 86.30           C  
+ATOM   1487  O   PHE A 191      11.036 -25.538   7.973  1.00 86.30           O  
+ATOM   1488  CG  PHE A 191      12.798 -25.467   4.830  1.00 86.30           C  
+ATOM   1489  CD1 PHE A 191      13.878 -24.771   5.358  1.00 86.30           C  
+ATOM   1490  CD2 PHE A 191      13.038 -26.647   4.138  1.00 86.30           C  
+ATOM   1491  CE1 PHE A 191      15.179 -25.244   5.199  1.00 86.30           C  
+ATOM   1492  CE2 PHE A 191      14.334 -27.126   3.974  1.00 86.30           C  
+ATOM   1493  CZ  PHE A 191      15.404 -26.422   4.505  1.00 86.30           C  
+ATOM   1494  N   LYS A 192      11.446 -27.630   7.259  1.00 82.52           N  
+ATOM   1495  CA  LYS A 192      11.999 -28.162   8.502  1.00 82.52           C  
+ATOM   1496  C   LYS A 192      11.032 -27.960   9.665  1.00 82.52           C  
+ATOM   1497  CB  LYS A 192      13.342 -27.502   8.817  1.00 82.52           C  
+ATOM   1498  O   LYS A 192      11.436 -27.536  10.749  1.00 82.52           O  
+ATOM   1499  CG  LYS A 192      14.453 -27.863   7.842  1.00 82.52           C  
+ATOM   1500  CD  LYS A 192      15.809 -27.373   8.334  1.00 82.52           C  
+ATOM   1501  CE  LYS A 192      16.942 -27.882   7.452  1.00 82.52           C  
+ATOM   1502  NZ  LYS A 192      18.279 -27.468   7.973  1.00 82.52           N  
+ATOM   1503  N   ASP A 193       9.657 -28.073   9.427  1.00 79.72           N  
+ATOM   1504  CA  ASP A 193       8.601 -28.020  10.434  1.00 79.72           C  
+ATOM   1505  C   ASP A 193       8.367 -26.589  10.910  1.00 79.72           C  
+ATOM   1506  CB  ASP A 193       8.948 -28.920  11.623  1.00 79.72           C  
+ATOM   1507  O   ASP A 193       7.778 -26.370  11.971  1.00 79.72           O  
+ATOM   1508  CG  ASP A 193       8.973 -30.395  11.262  1.00 79.72           C  
+ATOM   1509  OD1 ASP A 193       8.131 -30.840  10.453  1.00 79.72           O  
+ATOM   1510  OD2 ASP A 193       9.842 -31.119  11.795  1.00 79.72           O  
+ATOM   1511  N   LEU A 194       9.043 -25.687  10.194  1.00 83.97           N  
+ATOM   1512  CA  LEU A 194       8.790 -24.277  10.474  1.00 83.97           C  
+ATOM   1513  C   LEU A 194       7.921 -23.655   9.386  1.00 83.97           C  
+ATOM   1514  CB  LEU A 194      10.109 -23.509  10.592  1.00 83.97           C  
+ATOM   1515  O   LEU A 194       8.085 -23.962   8.203  1.00 83.97           O  
+ATOM   1516  CG  LEU A 194      11.015 -23.893  11.763  1.00 83.97           C  
+ATOM   1517  CD1 LEU A 194      12.367 -23.200  11.636  1.00 83.97           C  
+ATOM   1518  CD2 LEU A 194      10.351 -23.542  13.090  1.00 83.97           C  
+ATOM   1519  N   HIS A 195       7.044 -22.865   9.783  1.00 87.45           N  
+ATOM   1520  CA  HIS A 195       6.173 -22.153   8.855  1.00 87.45           C  
+ATOM   1521  C   HIS A 195       6.731 -20.772   8.525  1.00 87.45           C  
+ATOM   1522  CB  HIS A 195       4.763 -22.025   9.434  1.00 87.45           C  
+ATOM   1523  O   HIS A 195       6.913 -19.942   9.419  1.00 87.45           O  
+ATOM   1524  CG  HIS A 195       4.060 -23.335   9.595  1.00 87.45           C  
+ATOM   1525  CD2 HIS A 195       3.862 -24.110  10.687  1.00 87.45           C  
+ATOM   1526  ND1 HIS A 195       3.462 -23.992   8.541  1.00 87.45           N  
+ATOM   1527  CE1 HIS A 195       2.924 -25.118   8.980  1.00 87.45           C  
+ATOM   1528  NE2 HIS A 195       3.153 -25.214  10.279  1.00 87.45           N  
+ATOM   1529  N   PHE A 196       7.044 -20.552   7.202  1.00 91.10           N  
+ATOM   1530  CA  PHE A 196       7.621 -19.289   6.755  1.00 91.10           C  
+ATOM   1531  C   PHE A 196       6.563 -18.417   6.090  1.00 91.10           C  
+ATOM   1532  CB  PHE A 196       8.781 -19.539   5.787  1.00 91.10           C  
+ATOM   1533  O   PHE A 196       5.746 -18.910   5.309  1.00 91.10           O  
+ATOM   1534  CG  PHE A 196      10.020 -20.078   6.450  1.00 91.10           C  
+ATOM   1535  CD1 PHE A 196      11.041 -19.222   6.846  1.00 91.10           C  
+ATOM   1536  CD2 PHE A 196      10.163 -21.440   6.678  1.00 91.10           C  
+ATOM   1537  CE1 PHE A 196      12.189 -19.718   7.460  1.00 91.10           C  
+ATOM   1538  CE2 PHE A 196      11.308 -21.943   7.291  1.00 91.10           C  
+ATOM   1539  CZ  PHE A 196      12.319 -21.080   7.680  1.00 91.10           C  
+ATOM   1540  N   LYS A 197       6.562 -17.201   6.517  1.00 90.97           N  
+ATOM   1541  CA  LYS A 197       5.839 -16.151   5.805  1.00 90.97           C  
+ATOM   1542  C   LYS A 197       6.804 -15.170   5.144  1.00 90.97           C  
+ATOM   1543  CB  LYS A 197       4.902 -15.404   6.755  1.00 90.97           C  
+ATOM   1544  O   LYS A 197       7.471 -14.392   5.828  1.00 90.97           O  
+ATOM   1545  CG  LYS A 197       3.692 -16.215   7.195  1.00 90.97           C  
+ATOM   1546  CD  LYS A 197       2.716 -15.368   8.002  1.00 90.97           C  
+ATOM   1547  CE  LYS A 197       1.531 -16.191   8.488  1.00 90.97           C  
+ATOM   1548  NZ  LYS A 197       0.567 -15.364   9.274  1.00 90.97           N  
+ATOM   1549  N   MET A 198       6.789 -15.254   3.830  1.00 93.43           N  
+ATOM   1550  CA  MET A 198       7.717 -14.418   3.074  1.00 93.43           C  
+ATOM   1551  C   MET A 198       6.989 -13.248   2.421  1.00 93.43           C  
+ATOM   1552  CB  MET A 198       8.441 -15.244   2.009  1.00 93.43           C  
+ATOM   1553  O   MET A 198       5.967 -13.439   1.760  1.00 93.43           O  
+ATOM   1554  CG  MET A 198       9.508 -14.469   1.254  1.00 93.43           C  
+ATOM   1555  SD  MET A 198      10.432 -15.521   0.067  1.00 93.43           S  
+ATOM   1556  CE  MET A 198      11.393 -16.538   1.223  1.00 93.43           C  
+ATOM   1557  N   PHE A 199       7.498 -12.032   2.701  1.00 93.47           N  
+ATOM   1558  CA  PHE A 199       6.894 -10.817   2.168  1.00 93.47           C  
+ATOM   1559  C   PHE A 199       7.762 -10.218   1.068  1.00 93.47           C  
+ATOM   1560  CB  PHE A 199       6.677  -9.789   3.283  1.00 93.47           C  
+ATOM   1561  O   PHE A 199       8.931  -9.901   1.296  1.00 93.47           O  
+ATOM   1562  CG  PHE A 199       5.751 -10.260   4.371  1.00 93.47           C  
+ATOM   1563  CD1 PHE A 199       4.384 -10.027   4.289  1.00 93.47           C  
+ATOM   1564  CD2 PHE A 199       6.248 -10.937   5.478  1.00 93.47           C  
+ATOM   1565  CE1 PHE A 199       3.524 -10.462   5.295  1.00 93.47           C  
+ATOM   1566  CE2 PHE A 199       5.395 -11.374   6.487  1.00 93.47           C  
+ATOM   1567  CZ  PHE A 199       4.033 -11.135   6.394  1.00 93.47           C  
+ATOM   1568  N   ASP A 200       7.156 -10.114  -0.147  1.00 94.24           N  
+ATOM   1569  CA  ASP A 200       7.795  -9.508  -1.311  1.00 94.24           C  
+ATOM   1570  C   ASP A 200       7.230  -8.116  -1.585  1.00 94.24           C  
+ATOM   1571  CB  ASP A 200       7.620 -10.398  -2.544  1.00 94.24           C  
+ATOM   1572  O   ASP A 200       6.039  -7.967  -1.864  1.00 94.24           O  
+ATOM   1573  CG  ASP A 200       8.371  -9.882  -3.759  1.00 94.24           C  
+ATOM   1574  OD1 ASP A 200       9.341  -9.111  -3.594  1.00 94.24           O  
+ATOM   1575  OD2 ASP A 200       7.987 -10.247  -4.891  1.00 94.24           O  
+ATOM   1576  N   VAL A 201       8.039  -7.128  -1.422  1.00 92.47           N  
+ATOM   1577  CA  VAL A 201       7.596  -5.749  -1.599  1.00 92.47           C  
+ATOM   1578  C   VAL A 201       8.250  -5.152  -2.842  1.00 92.47           C  
+ATOM   1579  CB  VAL A 201       7.921  -4.886  -0.359  1.00 92.47           C  
+ATOM   1580  O   VAL A 201       9.317  -5.601  -3.267  1.00 92.47           O  
+ATOM   1581  CG1 VAL A 201       7.126  -5.364   0.855  1.00 92.47           C  
+ATOM   1582  CG2 VAL A 201       9.420  -4.915  -0.066  1.00 92.47           C  
+ATOM   1583  N   GLY A 202       7.493  -4.228  -3.507  1.00 88.95           N  
+ATOM   1584  CA  GLY A 202       8.056  -3.559  -4.668  1.00 88.95           C  
+ATOM   1585  C   GLY A 202       9.293  -2.742  -4.345  1.00 88.95           C  
+ATOM   1586  O   GLY A 202       9.336  -2.046  -3.329  1.00 88.95           O  
+ATOM   1587  N   GLY A 203      10.328  -2.845  -5.138  1.00 87.62           N  
+ATOM   1588  CA  GLY A 203      11.608  -2.199  -4.898  1.00 87.62           C  
+ATOM   1589  C   GLY A 203      11.725  -0.841  -5.562  1.00 87.62           C  
+ATOM   1590  O   GLY A 203      12.666  -0.091  -5.292  1.00 87.62           O  
+ATOM   1591  N   GLN A 204      10.683  -0.456  -6.336  1.00 86.15           N  
+ATOM   1592  CA  GLN A 204      10.735   0.843  -6.999  1.00 86.15           C  
+ATOM   1593  C   GLN A 204      10.472   1.976  -6.010  1.00 86.15           C  
+ATOM   1594  CB  GLN A 204       9.725   0.902  -8.146  1.00 86.15           C  
+ATOM   1595  O   GLN A 204       9.833   1.769  -4.977  1.00 86.15           O  
+ATOM   1596  CG  GLN A 204      10.038  -0.053  -9.290  1.00 86.15           C  
+ATOM   1597  CD  GLN A 204       8.971  -0.046 -10.369  1.00 86.15           C  
+ATOM   1598  NE2 GLN A 204       8.824  -1.168 -11.064  1.00 86.15           N  
+ATOM   1599  OE1 GLN A 204       8.285   0.960 -10.575  1.00 86.15           O  
+ATOM   1600  N   ARG A 205      10.966   3.164  -6.292  1.00 83.21           N  
+ATOM   1601  CA  ARG A 205      10.883   4.287  -5.364  1.00 83.21           C  
+ATOM   1602  C   ARG A 205       9.436   4.568  -4.971  1.00 83.21           C  
+ATOM   1603  CB  ARG A 205      11.512   5.540  -5.977  1.00 83.21           C  
+ATOM   1604  O   ARG A 205       9.143   4.819  -3.801  1.00 83.21           O  
+ATOM   1605  CG  ARG A 205      13.032   5.539  -5.957  1.00 83.21           C  
+ATOM   1606  CD  ARG A 205      13.603   6.884  -6.384  1.00 83.21           C  
+ATOM   1607  NE  ARG A 205      15.063   6.882  -6.360  1.00 83.21           N  
+ATOM   1608  NH1 ARG A 205      15.283   9.071  -7.065  1.00 83.21           N  
+ATOM   1609  NH2 ARG A 205      17.147   7.811  -6.627  1.00 83.21           N  
+ATOM   1610  CZ  ARG A 205      15.828   7.921  -6.684  1.00 83.21           C  
+ATOM   1611  N   SER A 206       8.557   4.467  -5.871  1.00 76.14           N  
+ATOM   1612  CA  SER A 206       7.145   4.750  -5.632  1.00 76.14           C  
+ATOM   1613  C   SER A 206       6.529   3.726  -4.685  1.00 76.14           C  
+ATOM   1614  CB  SER A 206       6.371   4.767  -6.950  1.00 76.14           C  
+ATOM   1615  O   SER A 206       5.529   4.008  -4.021  1.00 76.14           O  
+ATOM   1616  OG  SER A 206       6.510   3.533  -7.632  1.00 76.14           O  
+ATOM   1617  N   GLU A 207       7.124   2.534  -4.635  1.00 82.90           N  
+ATOM   1618  CA  GLU A 207       6.553   1.439  -3.857  1.00 82.90           C  
+ATOM   1619  C   GLU A 207       7.171   1.372  -2.463  1.00 82.90           C  
+ATOM   1620  CB  GLU A 207       6.746   0.105  -4.583  1.00 82.90           C  
+ATOM   1621  O   GLU A 207       6.643   0.699  -1.576  1.00 82.90           O  
+ATOM   1622  CG  GLU A 207       6.042   0.030  -5.929  1.00 82.90           C  
+ATOM   1623  CD  GLU A 207       4.539   0.242  -5.833  1.00 82.90           C  
+ATOM   1624  OE1 GLU A 207       4.021   1.203  -6.447  1.00 82.90           O  
+ATOM   1625  OE2 GLU A 207       3.875  -0.558  -5.138  1.00 82.90           O  
+ATOM   1626  N   ARG A 208       8.195   2.082  -2.240  1.00 84.98           N  
+ATOM   1627  CA  ARG A 208       8.972   1.975  -1.010  1.00 84.98           C  
+ATOM   1628  C   ARG A 208       8.229   2.604   0.164  1.00 84.98           C  
+ATOM   1629  CB  ARG A 208      10.341   2.636  -1.179  1.00 84.98           C  
+ATOM   1630  O   ARG A 208       8.465   2.245   1.319  1.00 84.98           O  
+ATOM   1631  CG  ARG A 208      11.267   1.901  -2.134  1.00 84.98           C  
+ATOM   1632  CD  ARG A 208      12.616   2.595  -2.259  1.00 84.98           C  
+ATOM   1633  NE  ARG A 208      13.380   2.089  -3.395  1.00 84.98           N  
+ATOM   1634  NH1 ARG A 208      15.076   3.648  -3.215  1.00 84.98           N  
+ATOM   1635  NH2 ARG A 208      15.142   2.061  -4.868  1.00 84.98           N  
+ATOM   1636  CZ  ARG A 208      14.531   2.600  -3.824  1.00 84.98           C  
+ATOM   1637  N   LYS A 209       7.404   3.443  -0.121  1.00 77.40           N  
+ATOM   1638  CA  LYS A 209       6.615   4.065   0.938  1.00 77.40           C  
+ATOM   1639  C   LYS A 209       5.728   3.039   1.638  1.00 77.40           C  
+ATOM   1640  CB  LYS A 209       5.758   5.199   0.374  1.00 77.40           C  
+ATOM   1641  O   LYS A 209       5.322   3.241   2.784  1.00 77.40           O  
+ATOM   1642  CG  LYS A 209       6.563   6.358  -0.197  1.00 77.40           C  
+ATOM   1643  CD  LYS A 209       5.656   7.448  -0.754  1.00 77.40           C  
+ATOM   1644  CE  LYS A 209       6.461   8.592  -1.355  1.00 77.40           C  
+ATOM   1645  NZ  LYS A 209       5.576   9.640  -1.947  1.00 77.40           N  
+ATOM   1646  N   LYS A 210       5.567   1.927   0.973  1.00 79.98           N  
+ATOM   1647  CA  LYS A 210       4.672   0.896   1.490  1.00 79.98           C  
+ATOM   1648  C   LYS A 210       5.430  -0.106   2.356  1.00 79.98           C  
+ATOM   1649  CB  LYS A 210       3.969   0.170   0.342  1.00 79.98           C  
+ATOM   1650  O   LYS A 210       4.821  -0.956   3.010  1.00 79.98           O  
+ATOM   1651  CG  LYS A 210       3.104   1.073  -0.524  1.00 79.98           C  
+ATOM   1652  CD  LYS A 210       2.473   0.304  -1.679  1.00 79.98           C  
+ATOM   1653  CE  LYS A 210       1.666   1.221  -2.587  1.00 79.98           C  
+ATOM   1654  NZ  LYS A 210       1.094   0.482  -3.753  1.00 79.98           N  
+ATOM   1655  N   TRP A 211       6.763   0.009   2.434  1.00 86.14           N  
+ATOM   1656  CA  TRP A 211       7.612  -0.929   3.161  1.00 86.14           C  
+ATOM   1657  C   TRP A 211       7.273  -0.930   4.648  1.00 86.14           C  
+ATOM   1658  CB  TRP A 211       9.090  -0.583   2.962  1.00 86.14           C  
+ATOM   1659  O   TRP A 211       7.276  -1.982   5.292  1.00 86.14           O  
+ATOM   1660  CG  TRP A 211       9.623  -0.946   1.609  1.00 86.14           C  
+ATOM   1661  CD1 TRP A 211       8.901  -1.345   0.518  1.00 86.14           C  
+ATOM   1662  CD2 TRP A 211      10.996  -0.947   1.204  1.00 86.14           C  
+ATOM   1663  CE2 TRP A 211      11.032  -1.357  -0.148  1.00 86.14           C  
+ATOM   1664  CE3 TRP A 211      12.199  -0.639   1.852  1.00 86.14           C  
+ATOM   1665  NE1 TRP A 211       9.743  -1.593  -0.541  1.00 86.14           N  
+ATOM   1666  CH2 TRP A 211      13.390  -1.161  -0.204  1.00 86.14           C  
+ATOM   1667  CZ2 TRP A 211      12.227  -1.467  -0.862  1.00 86.14           C  
+ATOM   1668  CZ3 TRP A 211      13.387  -0.750   1.139  1.00 86.14           C  
+ATOM   1669  N   ILE A 212       6.969   0.174   5.103  1.00 79.73           N  
+ATOM   1670  CA  ILE A 212       6.777   0.377   6.534  1.00 79.73           C  
+ATOM   1671  C   ILE A 212       5.628  -0.497   7.030  1.00 79.73           C  
+ATOM   1672  CB  ILE A 212       6.502   1.861   6.863  1.00 79.73           C  
+ATOM   1673  O   ILE A 212       5.601  -0.897   8.197  1.00 79.73           O  
+ATOM   1674  CG1 ILE A 212       6.573   2.095   8.377  1.00 79.73           C  
+ATOM   1675  CG2 ILE A 212       5.144   2.295   6.305  1.00 79.73           C  
+ATOM   1676  CD1 ILE A 212       6.823   3.545   8.768  1.00 79.73           C  
+ATOM   1677  N   HIS A 213       4.810  -0.943   6.105  1.00 77.34           N  
+ATOM   1678  CA  HIS A 213       3.621  -1.708   6.464  1.00 77.34           C  
+ATOM   1679  C   HIS A 213       3.975  -3.153   6.798  1.00 77.34           C  
+ATOM   1680  CB  HIS A 213       2.595  -1.669   5.329  1.00 77.34           C  
+ATOM   1681  O   HIS A 213       3.173  -3.870   7.401  1.00 77.34           O  
+ATOM   1682  CG  HIS A 213       2.069  -0.298   5.044  1.00 77.34           C  
+ATOM   1683  CD2 HIS A 213       2.207   0.499   3.958  1.00 77.34           C  
+ATOM   1684  ND1 HIS A 213       1.298   0.405   5.944  1.00 77.34           N  
+ATOM   1685  CE1 HIS A 213       0.983   1.579   5.422  1.00 77.34           C  
+ATOM   1686  NE2 HIS A 213       1.522   1.661   4.218  1.00 77.34           N  
+ATOM   1687  N   CYS A 214       5.278  -3.519   6.482  1.00 84.70           N  
+ATOM   1688  CA  CYS A 214       5.647  -4.910   6.720  1.00 84.70           C  
+ATOM   1689  C   CYS A 214       6.759  -5.009   7.757  1.00 84.70           C  
+ATOM   1690  CB  CYS A 214       6.089  -5.577   5.419  1.00 84.70           C  
+ATOM   1691  O   CYS A 214       7.329  -6.082   7.962  1.00 84.70           O  
+ATOM   1692  SG  CYS A 214       4.891  -5.422   4.077  1.00 84.70           S  
+ATOM   1693  N   PHE A 215       7.192  -3.907   8.459  1.00 84.95           N  
+ATOM   1694  CA  PHE A 215       8.366  -3.853   9.323  1.00 84.95           C  
+ATOM   1695  C   PHE A 215       8.072  -4.489  10.676  1.00 84.95           C  
+ATOM   1696  CB  PHE A 215       8.830  -2.406   9.513  1.00 84.95           C  
+ATOM   1697  O   PHE A 215       8.990  -4.904  11.386  1.00 84.95           O  
+ATOM   1698  CG  PHE A 215       9.689  -1.891   8.389  1.00 84.95           C  
+ATOM   1699  CD1 PHE A 215       9.821  -2.614   7.210  1.00 84.95           C  
+ATOM   1700  CD2 PHE A 215      10.364  -0.684   8.513  1.00 84.95           C  
+ATOM   1701  CE1 PHE A 215      10.616  -2.140   6.169  1.00 84.95           C  
+ATOM   1702  CE2 PHE A 215      11.160  -0.204   7.477  1.00 84.95           C  
+ATOM   1703  CZ  PHE A 215      11.285  -0.934   6.306  1.00 84.95           C  
+ATOM   1704  N   GLU A 216       6.820  -4.756  10.914  1.00 80.89           N  
+ATOM   1705  CA  GLU A 216       6.521  -5.273  12.246  1.00 80.89           C  
+ATOM   1706  C   GLU A 216       6.676  -6.791  12.297  1.00 80.89           C  
+ATOM   1707  CB  GLU A 216       5.106  -4.875  12.672  1.00 80.89           C  
+ATOM   1708  O   GLU A 216       6.174  -7.501  11.423  1.00 80.89           O  
+ATOM   1709  CG  GLU A 216       4.810  -5.135  14.142  1.00 80.89           C  
+ATOM   1710  CD  GLU A 216       3.446  -4.626  14.579  1.00 80.89           C  
+ATOM   1711  OE1 GLU A 216       3.126  -4.707  15.787  1.00 80.89           O  
+ATOM   1712  OE2 GLU A 216       2.690  -4.143  13.707  1.00 80.89           O  
+ATOM   1713  N   GLY A 217       7.268  -7.230  13.348  1.00 80.42           N  
+ATOM   1714  CA  GLY A 217       7.356  -8.642  13.683  1.00 80.42           C  
+ATOM   1715  C   GLY A 217       8.208  -9.435  12.710  1.00 80.42           C  
+ATOM   1716  O   GLY A 217       7.971 -10.626  12.497  1.00 80.42           O  
+ATOM   1717  N   VAL A 218       9.139  -8.706  11.998  1.00 89.81           N  
+ATOM   1718  CA  VAL A 218      10.002  -9.374  11.030  1.00 89.81           C  
+ATOM   1719  C   VAL A 218      11.072 -10.182  11.761  1.00 89.81           C  
+ATOM   1720  CB  VAL A 218      10.664  -8.362  10.067  1.00 89.81           C  
+ATOM   1721  O   VAL A 218      11.761  -9.659  12.640  1.00 89.81           O  
+ATOM   1722  CG1 VAL A 218      11.623  -9.072   9.113  1.00 89.81           C  
+ATOM   1723  CG2 VAL A 218       9.600  -7.593   9.287  1.00 89.81           C  
+ATOM   1724  N   THR A 219      11.156 -11.523  11.404  1.00 90.05           N  
+ATOM   1725  CA  THR A 219      12.163 -12.401  11.990  1.00 90.05           C  
+ATOM   1726  C   THR A 219      13.526 -12.167  11.346  1.00 90.05           C  
+ATOM   1727  CB  THR A 219      11.769 -13.882  11.840  1.00 90.05           C  
+ATOM   1728  O   THR A 219      14.542 -12.091  12.040  1.00 90.05           O  
+ATOM   1729  CG2 THR A 219      12.750 -14.790  12.574  1.00 90.05           C  
+ATOM   1730  OG1 THR A 219      10.456 -14.079  12.381  1.00 90.05           O  
+ATOM   1731  N   ALA A 220      13.541 -12.096  10.025  1.00 92.96           N  
+ATOM   1732  CA  ALA A 220      14.770 -11.883   9.265  1.00 92.96           C  
+ATOM   1733  C   ALA A 220      14.494 -11.100   7.984  1.00 92.96           C  
+ATOM   1734  CB  ALA A 220      15.430 -13.219   8.935  1.00 92.96           C  
+ATOM   1735  O   ALA A 220      13.415 -11.218   7.397  1.00 92.96           O  
+ATOM   1736  N   ILE A 221      15.491 -10.251   7.634  1.00 95.27           N  
+ATOM   1737  CA  ILE A 221      15.431  -9.497   6.386  1.00 95.27           C  
+ATOM   1738  C   ILE A 221      16.410 -10.093   5.376  1.00 95.27           C  
+ATOM   1739  CB  ILE A 221      15.742  -8.001   6.615  1.00 95.27           C  
+ATOM   1740  O   ILE A 221      17.569 -10.355   5.705  1.00 95.27           O  
+ATOM   1741  CG1 ILE A 221      14.663  -7.360   7.495  1.00 95.27           C  
+ATOM   1742  CG2 ILE A 221      15.867  -7.265   5.278  1.00 95.27           C  
+ATOM   1743  CD1 ILE A 221      14.991  -5.943   7.944  1.00 95.27           C  
+ATOM   1744  N   ILE A 222      15.888 -10.371   4.206  1.00 96.34           N  
+ATOM   1745  CA  ILE A 222      16.758 -10.709   3.084  1.00 96.34           C  
+ATOM   1746  C   ILE A 222      16.875  -9.512   2.143  1.00 96.34           C  
+ATOM   1747  CB  ILE A 222      16.236 -11.944   2.317  1.00 96.34           C  
+ATOM   1748  O   ILE A 222      15.903  -9.135   1.483  1.00 96.34           O  
+ATOM   1749  CG1 ILE A 222      16.115 -13.147   3.260  1.00 96.34           C  
+ATOM   1750  CG2 ILE A 222      17.148 -12.268   1.130  1.00 96.34           C  
+ATOM   1751  CD1 ILE A 222      15.470 -14.370   2.624  1.00 96.34           C  
+ATOM   1752  N   PHE A 223      18.013  -8.917   2.164  1.00 97.37           N  
+ATOM   1753  CA  PHE A 223      18.242  -7.771   1.292  1.00 97.37           C  
+ATOM   1754  C   PHE A 223      18.950  -8.198   0.011  1.00 97.37           C  
+ATOM   1755  CB  PHE A 223      19.065  -6.700   2.015  1.00 97.37           C  
+ATOM   1756  O   PHE A 223      20.084  -8.679   0.053  1.00 97.37           O  
+ATOM   1757  CG  PHE A 223      19.028  -5.352   1.346  1.00 97.37           C  
+ATOM   1758  CD1 PHE A 223      19.957  -5.020   0.368  1.00 97.37           C  
+ATOM   1759  CD2 PHE A 223      18.064  -4.417   1.697  1.00 97.37           C  
+ATOM   1760  CE1 PHE A 223      19.925  -3.773  -0.252  1.00 97.37           C  
+ATOM   1761  CE2 PHE A 223      18.025  -3.169   1.082  1.00 97.37           C  
+ATOM   1762  CZ  PHE A 223      18.958  -2.849   0.108  1.00 97.37           C  
+ATOM   1763  N   CYS A 224      18.279  -7.983  -1.135  1.00 97.58           N  
+ATOM   1764  CA  CYS A 224      18.800  -8.437  -2.420  1.00 97.58           C  
+ATOM   1765  C   CYS A 224      19.503  -7.301  -3.155  1.00 97.58           C  
+ATOM   1766  CB  CYS A 224      17.673  -8.997  -3.288  1.00 97.58           C  
+ATOM   1767  O   CYS A 224      18.933  -6.222  -3.329  1.00 97.58           O  
+ATOM   1768  SG  CYS A 224      16.905 -10.485  -2.611  1.00 97.58           S  
+ATOM   1769  N   VAL A 225      20.683  -7.587  -3.569  1.00 97.79           N  
+ATOM   1770  CA  VAL A 225      21.481  -6.630  -4.328  1.00 97.79           C  
+ATOM   1771  C   VAL A 225      21.838  -7.220  -5.690  1.00 97.79           C  
+ATOM   1772  CB  VAL A 225      22.765  -6.231  -3.567  1.00 97.79           C  
+ATOM   1773  O   VAL A 225      22.291  -8.364  -5.779  1.00 97.79           O  
+ATOM   1774  CG1 VAL A 225      23.618  -5.281  -4.407  1.00 97.79           C  
+ATOM   1775  CG2 VAL A 225      22.413  -5.592  -2.225  1.00 97.79           C  
+ATOM   1776  N   ALA A 226      21.542  -6.456  -6.707  1.00 96.89           N  
+ATOM   1777  CA  ALA A 226      21.950  -6.879  -8.045  1.00 96.89           C  
+ATOM   1778  C   ALA A 226      23.397  -6.484  -8.327  1.00 96.89           C  
+ATOM   1779  CB  ALA A 226      21.023  -6.279  -9.099  1.00 96.89           C  
+ATOM   1780  O   ALA A 226      23.693  -5.310  -8.559  1.00 96.89           O  
+ATOM   1781  N   LEU A 227      24.291  -7.492  -8.455  1.00 96.56           N  
+ATOM   1782  CA  LEU A 227      25.713  -7.258  -8.686  1.00 96.56           C  
+ATOM   1783  C   LEU A 227      25.950  -6.693 -10.083  1.00 96.56           C  
+ATOM   1784  CB  LEU A 227      26.505  -8.556  -8.506  1.00 96.56           C  
+ATOM   1785  O   LEU A 227      26.870  -5.898 -10.287  1.00 96.56           O  
+ATOM   1786  CG  LEU A 227      26.734  -9.016  -7.066  1.00 96.56           C  
+ATOM   1787  CD1 LEU A 227      27.362 -10.406  -7.047  1.00 96.56           C  
+ATOM   1788  CD2 LEU A 227      27.609  -8.017  -6.317  1.00 96.56           C  
+ATOM   1789  N   SER A 228      25.148  -7.074 -10.980  1.00 94.94           N  
+ATOM   1790  CA  SER A 228      25.312  -6.727 -12.388  1.00 94.94           C  
+ATOM   1791  C   SER A 228      24.897  -5.283 -12.653  1.00 94.94           C  
+ATOM   1792  CB  SER A 228      24.496  -7.671 -13.272  1.00 94.94           C  
+ATOM   1793  O   SER A 228      25.169  -4.741 -13.726  1.00 94.94           O  
+ATOM   1794  OG  SER A 228      23.115  -7.574 -12.970  1.00 94.94           O  
+ATOM   1795  N   ASP A 229      24.369  -4.520 -11.691  1.00 94.76           N  
+ATOM   1796  CA  ASP A 229      23.814  -3.185 -11.891  1.00 94.76           C  
+ATOM   1797  C   ASP A 229      24.868  -2.108 -11.637  1.00 94.76           C  
+ATOM   1798  CB  ASP A 229      22.606  -2.964 -10.978  1.00 94.76           C  
+ATOM   1799  O   ASP A 229      24.564  -0.914 -11.675  1.00 94.76           O  
+ATOM   1800  CG  ASP A 229      21.336  -3.604 -11.510  1.00 94.76           C  
+ATOM   1801  OD1 ASP A 229      21.373  -4.219 -12.598  1.00 94.76           O  
+ATOM   1802  OD2 ASP A 229      20.289  -3.489 -10.838  1.00 94.76           O  
+ATOM   1803  N   TYR A 230      26.093  -2.470 -11.378  1.00 94.52           N  
+ATOM   1804  CA  TYR A 230      27.118  -1.504 -11.000  1.00 94.52           C  
+ATOM   1805  C   TYR A 230      27.336  -0.479 -12.106  1.00 94.52           C  
+ATOM   1806  CB  TYR A 230      28.436  -2.216 -10.681  1.00 94.52           C  
+ATOM   1807  O   TYR A 230      27.811   0.630 -11.848  1.00 94.52           O  
+ATOM   1808  CG  TYR A 230      29.129  -2.783 -11.896  1.00 94.52           C  
+ATOM   1809  CD1 TYR A 230      28.863  -4.079 -12.332  1.00 94.52           C  
+ATOM   1810  CD2 TYR A 230      30.052  -2.026 -12.609  1.00 94.52           C  
+ATOM   1811  CE1 TYR A 230      29.501  -4.607 -13.450  1.00 94.52           C  
+ATOM   1812  CE2 TYR A 230      30.696  -2.543 -13.728  1.00 94.52           C  
+ATOM   1813  OH  TYR A 230      31.048  -4.350 -15.248  1.00 94.52           O  
+ATOM   1814  CZ  TYR A 230      30.414  -3.832 -14.141  1.00 94.52           C  
+ATOM   1815  N   ASP A 231      26.998  -0.750 -13.339  1.00 92.32           N  
+ATOM   1816  CA  ASP A 231      27.263   0.161 -14.449  1.00 92.32           C  
+ATOM   1817  C   ASP A 231      25.963   0.700 -15.040  1.00 92.32           C  
+ATOM   1818  CB  ASP A 231      28.083  -0.540 -15.534  1.00 92.32           C  
+ATOM   1819  O   ASP A 231      25.932   1.136 -16.193  1.00 92.32           O  
+ATOM   1820  CG  ASP A 231      27.378  -1.749 -16.123  1.00 92.32           C  
+ATOM   1821  OD1 ASP A 231      26.342  -2.179 -15.571  1.00 92.32           O  
+ATOM   1822  OD2 ASP A 231      27.864  -2.278 -17.145  1.00 92.32           O  
+ATOM   1823  N   LEU A 232      24.869   0.604 -14.268  1.00 92.47           N  
+ATOM   1824  CA  LEU A 232      23.578   1.078 -14.755  1.00 92.47           C  
+ATOM   1825  C   LEU A 232      23.089   2.264 -13.930  1.00 92.47           C  
+ATOM   1826  CB  LEU A 232      22.543  -0.049 -14.714  1.00 92.47           C  
+ATOM   1827  O   LEU A 232      23.505   2.442 -12.783  1.00 92.47           O  
+ATOM   1828  CG  LEU A 232      22.828  -1.264 -15.598  1.00 92.47           C  
+ATOM   1829  CD1 LEU A 232      21.789  -2.353 -15.353  1.00 92.47           C  
+ATOM   1830  CD2 LEU A 232      22.852  -0.861 -17.069  1.00 92.47           C  
+ATOM   1831  N   VAL A 233      22.234   3.017 -14.593  1.00 91.98           N  
+ATOM   1832  CA  VAL A 233      21.580   4.114 -13.887  1.00 91.98           C  
+ATOM   1833  C   VAL A 233      20.111   3.771 -13.647  1.00 91.98           C  
+ATOM   1834  CB  VAL A 233      21.696   5.441 -14.669  1.00 91.98           C  
+ATOM   1835  O   VAL A 233      19.558   2.887 -14.306  1.00 91.98           O  
+ATOM   1836  CG1 VAL A 233      23.152   5.897 -14.746  1.00 91.98           C  
+ATOM   1837  CG2 VAL A 233      21.107   5.288 -16.070  1.00 91.98           C  
+ATOM   1838  N   LEU A 234      19.459   4.462 -12.704  1.00 86.04           N  
+ATOM   1839  CA  LEU A 234      18.061   4.226 -12.358  1.00 86.04           C  
+ATOM   1840  C   LEU A 234      17.138   4.673 -13.487  1.00 86.04           C  
+ATOM   1841  CB  LEU A 234      17.698   4.962 -11.065  1.00 86.04           C  
+ATOM   1842  O   LEU A 234      17.414   5.666 -14.164  1.00 86.04           O  
+ATOM   1843  CG  LEU A 234      18.354   4.445  -9.783  1.00 86.04           C  
+ATOM   1844  CD1 LEU A 234      18.032   5.369  -8.614  1.00 86.04           C  
+ATOM   1845  CD2 LEU A 234      17.898   3.020  -9.487  1.00 86.04           C  
+ATOM   1846  N   ALA A 235      16.050   3.937 -13.666  1.00 81.87           N  
+ATOM   1847  CA  ALA A 235      15.045   4.339 -14.646  1.00 81.87           C  
+ATOM   1848  C   ALA A 235      14.387   5.657 -14.248  1.00 81.87           C  
+ATOM   1849  CB  ALA A 235      13.989   3.247 -14.805  1.00 81.87           C  
+ATOM   1850  O   ALA A 235      14.101   6.499 -15.103  1.00 81.87           O  
+ATOM   1851  N   GLU A 236      14.258   5.865 -12.931  1.00 78.52           N  
+ATOM   1852  CA  GLU A 236      13.548   6.994 -12.338  1.00 78.52           C  
+ATOM   1853  C   GLU A 236      14.453   8.218 -12.226  1.00 78.52           C  
+ATOM   1854  CB  GLU A 236      12.997   6.619 -10.960  1.00 78.52           C  
+ATOM   1855  O   GLU A 236      13.970   9.341 -12.072  1.00 78.52           O  
+ATOM   1856  CG  GLU A 236      12.005   5.465 -10.987  1.00 78.52           C  
+ATOM   1857  CD  GLU A 236      12.662   4.105 -10.820  1.00 78.52           C  
+ATOM   1858  OE1 GLU A 236      11.951   3.120 -10.519  1.00 78.52           O  
+ATOM   1859  OE2 GLU A 236      13.899   4.023 -10.992  1.00 78.52           O  
+ATOM   1860  N   ASP A 237      15.817   7.947 -12.278  1.00 79.95           N  
+ATOM   1861  CA  ASP A 237      16.824   8.993 -12.133  1.00 79.95           C  
+ATOM   1862  C   ASP A 237      18.078   8.664 -12.939  1.00 79.95           C  
+ATOM   1863  CB  ASP A 237      17.184   9.192 -10.659  1.00 79.95           C  
+ATOM   1864  O   ASP A 237      18.872   7.809 -12.541  1.00 79.95           O  
+ATOM   1865  CG  ASP A 237      18.068  10.403 -10.422  1.00 79.95           C  
+ATOM   1866  OD1 ASP A 237      18.608  10.965 -11.400  1.00 79.95           O  
+ATOM   1867  OD2 ASP A 237      18.229  10.798  -9.247  1.00 79.95           O  
+ATOM   1868  N   GLU A 238      18.275   9.418 -13.999  1.00 82.91           N  
+ATOM   1869  CA  GLU A 238      19.353   9.125 -14.938  1.00 82.91           C  
+ATOM   1870  C   GLU A 238      20.703   9.576 -14.386  1.00 82.91           C  
+ATOM   1871  CB  GLU A 238      19.087   9.794 -16.289  1.00 82.91           C  
+ATOM   1872  O   GLU A 238      21.745   9.312 -14.989  1.00 82.91           O  
+ATOM   1873  CG  GLU A 238      17.908   9.201 -17.047  1.00 82.91           C  
+ATOM   1874  CD  GLU A 238      17.692   9.835 -18.412  1.00 82.91           C  
+ATOM   1875  OE1 GLU A 238      16.780   9.395 -19.148  1.00 82.91           O  
+ATOM   1876  OE2 GLU A 238      18.442  10.778 -18.748  1.00 82.91           O  
+ATOM   1877  N   GLU A 239      20.770  10.108 -13.205  1.00 85.89           N  
+ATOM   1878  CA  GLU A 239      22.015  10.611 -12.631  1.00 85.89           C  
+ATOM   1879  C   GLU A 239      22.523   9.692 -11.524  1.00 85.89           C  
+ATOM   1880  CB  GLU A 239      21.822  12.030 -12.089  1.00 85.89           C  
+ATOM   1881  O   GLU A 239      23.686   9.779 -11.123  1.00 85.89           O  
+ATOM   1882  CG  GLU A 239      21.570  13.072 -13.169  1.00 85.89           C  
+ATOM   1883  CD  GLU A 239      21.564  14.497 -12.639  1.00 85.89           C  
+ATOM   1884  OE1 GLU A 239      21.633  15.447 -13.451  1.00 85.89           O  
+ATOM   1885  OE2 GLU A 239      21.490  14.664 -11.401  1.00 85.89           O  
+ATOM   1886  N   MET A 240      21.657   8.838 -11.055  1.00 89.18           N  
+ATOM   1887  CA  MET A 240      21.996   8.000  -9.908  1.00 89.18           C  
+ATOM   1888  C   MET A 240      22.356   6.587 -10.354  1.00 89.18           C  
+ATOM   1889  CB  MET A 240      20.836   7.955  -8.913  1.00 89.18           C  
+ATOM   1890  O   MET A 240      21.566   5.924 -11.028  1.00 89.18           O  
+ATOM   1891  CG  MET A 240      21.137   7.154  -7.656  1.00 89.18           C  
+ATOM   1892  SD  MET A 240      22.288   8.028  -6.525  1.00 89.18           S  
+ATOM   1893  CE  MET A 240      22.743   6.665  -5.417  1.00 89.18           C  
+ATOM   1894  N   ASN A 241      23.505   6.151  -9.988  1.00 93.50           N  
+ATOM   1895  CA  ASN A 241      23.927   4.774 -10.222  1.00 93.50           C  
+ATOM   1896  C   ASN A 241      23.114   3.789  -9.388  1.00 93.50           C  
+ATOM   1897  CB  ASN A 241      25.420   4.613  -9.927  1.00 93.50           C  
+ATOM   1898  O   ASN A 241      22.859   4.031  -8.206  1.00 93.50           O  
+ATOM   1899  CG  ASN A 241      25.930   3.220 -10.239  1.00 93.50           C  
+ATOM   1900  ND2 ASN A 241      26.556   3.065 -11.400  1.00 93.50           N  
+ATOM   1901  OD1 ASN A 241      25.763   2.292  -9.444  1.00 93.50           O  
+ATOM   1902  N   ARG A 242      22.683   2.698  -9.979  1.00 93.55           N  
+ATOM   1903  CA  ARG A 242      21.796   1.730  -9.341  1.00 93.55           C  
+ATOM   1904  C   ARG A 242      22.471   1.078  -8.139  1.00 93.55           C  
+ATOM   1905  CB  ARG A 242      21.360   0.658 -10.342  1.00 93.55           C  
+ATOM   1906  O   ARG A 242      21.823   0.817  -7.123  1.00 93.55           O  
+ATOM   1907  CG  ARG A 242      20.275   1.118 -11.303  1.00 93.55           C  
+ATOM   1908  CD  ARG A 242      19.653  -0.052 -12.053  1.00 93.55           C  
+ATOM   1909  NE  ARG A 242      18.625   0.394 -12.989  1.00 93.55           N  
+ATOM   1910  NH1 ARG A 242      17.821  -1.726 -13.435  1.00 93.55           N  
+ATOM   1911  NH2 ARG A 242      16.881   0.100 -14.455  1.00 93.55           N  
+ATOM   1912  CZ  ARG A 242      17.778  -0.412 -13.624  1.00 93.55           C  
+ATOM   1913  N   MET A 243      23.802   0.767  -8.239  1.00 95.26           N  
+ATOM   1914  CA  MET A 243      24.536   0.177  -7.123  1.00 95.26           C  
+ATOM   1915  C   MET A 243      24.619   1.149  -5.951  1.00 95.26           C  
+ATOM   1916  CB  MET A 243      25.943  -0.234  -7.562  1.00 95.26           C  
+ATOM   1917  O   MET A 243      24.451   0.752  -4.797  1.00 95.26           O  
+ATOM   1918  CG  MET A 243      26.738  -0.947  -6.481  1.00 95.26           C  
+ATOM   1919  SD  MET A 243      25.990  -2.552  -6.002  1.00 95.26           S  
+ATOM   1920  CE  MET A 243      26.434  -3.557  -7.445  1.00 95.26           C  
+ATOM   1921  N   HIS A 244      24.839   2.370  -6.177  1.00 94.46           N  
+ATOM   1922  CA  HIS A 244      24.887   3.382  -5.128  1.00 94.46           C  
+ATOM   1923  C   HIS A 244      23.526   3.549  -4.461  1.00 94.46           C  
+ATOM   1924  CB  HIS A 244      25.361   4.721  -5.696  1.00 94.46           C  
+ATOM   1925  O   HIS A 244      23.442   3.698  -3.240  1.00 94.46           O  
+ATOM   1926  CG  HIS A 244      26.827   4.763  -5.989  1.00 94.46           C  
+ATOM   1927  CD2 HIS A 244      27.897   4.440  -5.223  1.00 94.46           C  
+ATOM   1928  ND1 HIS A 244      27.332   5.181  -7.201  1.00 94.46           N  
+ATOM   1929  CE1 HIS A 244      28.653   5.113  -7.168  1.00 94.46           C  
+ATOM   1930  NE2 HIS A 244      29.020   4.666  -5.979  1.00 94.46           N  
+ATOM   1931  N   GLU A 245      22.552   3.562  -5.322  1.00 93.91           N  
+ATOM   1932  CA  GLU A 245      21.203   3.613  -4.766  1.00 93.91           C  
+ATOM   1933  C   GLU A 245      20.940   2.426  -3.844  1.00 93.91           C  
+ATOM   1934  CB  GLU A 245      20.160   3.651  -5.886  1.00 93.91           C  
+ATOM   1935  O   GLU A 245      20.377   2.588  -2.760  1.00 93.91           O  
+ATOM   1936  CG  GLU A 245      18.722   3.631  -5.388  1.00 93.91           C  
+ATOM   1937  CD  GLU A 245      18.324   4.901  -4.654  1.00 93.91           C  
+ATOM   1938  OE1 GLU A 245      17.220   4.941  -4.065  1.00 93.91           O  
+ATOM   1939  OE2 GLU A 245      19.122   5.865  -4.669  1.00 93.91           O  
+ATOM   1940  N   SER A 246      21.283   1.275  -4.265  1.00 95.96           N  
+ATOM   1941  CA  SER A 246      21.130   0.063  -3.467  1.00 95.96           C  
+ATOM   1942  C   SER A 246      21.894   0.167  -2.151  1.00 95.96           C  
+ATOM   1943  CB  SER A 246      21.611  -1.160  -4.249  1.00 95.96           C  
+ATOM   1944  O   SER A 246      21.396  -0.249  -1.103  1.00 95.96           O  
+ATOM   1945  OG  SER A 246      21.323  -2.354  -3.543  1.00 95.96           O  
+ATOM   1946  N   MET A 247      23.017   0.775  -2.148  1.00 95.80           N  
+ATOM   1947  CA  MET A 247      23.822   0.967  -0.945  1.00 95.80           C  
+ATOM   1948  C   MET A 247      23.132   1.921   0.024  1.00 95.80           C  
+ATOM   1949  CB  MET A 247      25.210   1.499  -1.304  1.00 95.80           C  
+ATOM   1950  O   MET A 247      23.105   1.675   1.231  1.00 95.80           O  
+ATOM   1951  CG  MET A 247      26.114   0.465  -1.954  1.00 95.80           C  
+ATOM   1952  SD  MET A 247      27.769   1.139  -2.371  1.00 95.80           S  
+ATOM   1953  CE  MET A 247      28.472   1.312  -0.707  1.00 95.80           C  
+ATOM   1954  N   LYS A 248      22.634   3.008  -0.540  1.00 93.75           N  
+ATOM   1955  CA  LYS A 248      21.899   3.961   0.286  1.00 93.75           C  
+ATOM   1956  C   LYS A 248      20.697   3.298   0.954  1.00 93.75           C  
+ATOM   1957  CB  LYS A 248      21.440   5.156  -0.552  1.00 93.75           C  
+ATOM   1958  O   LYS A 248      20.437   3.521   2.138  1.00 93.75           O  
+ATOM   1959  CG  LYS A 248      22.562   6.109  -0.936  1.00 93.75           C  
+ATOM   1960  CD  LYS A 248      22.035   7.304  -1.721  1.00 93.75           C  
+ATOM   1961  CE  LYS A 248      23.164   8.226  -2.162  1.00 93.75           C  
+ATOM   1962  NZ  LYS A 248      22.661   9.359  -2.995  1.00 93.75           N  
+ATOM   1963  N   LEU A 249      20.116   2.452   0.167  1.00 94.04           N  
+ATOM   1964  CA  LEU A 249      18.950   1.747   0.688  1.00 94.04           C  
+ATOM   1965  C   LEU A 249      19.351   0.772   1.789  1.00 94.04           C  
+ATOM   1966  CB  LEU A 249      18.230   0.998  -0.436  1.00 94.04           C  
+ATOM   1967  O   LEU A 249      18.719   0.728   2.847  1.00 94.04           O  
+ATOM   1968  CG  LEU A 249      17.420   1.854  -1.411  1.00 94.04           C  
+ATOM   1969  CD1 LEU A 249      16.922   1.004  -2.575  1.00 94.04           C  
+ATOM   1970  CD2 LEU A 249      16.253   2.524  -0.694  1.00 94.04           C  
+ATOM   1971  N   PHE A 250      20.313   0.056   1.522  1.00 96.17           N  
+ATOM   1972  CA  PHE A 250      20.800  -0.911   2.499  1.00 96.17           C  
+ATOM   1973  C   PHE A 250      21.230  -0.213   3.784  1.00 96.17           C  
+ATOM   1974  CB  PHE A 250      21.969  -1.716   1.923  1.00 96.17           C  
+ATOM   1975  O   PHE A 250      20.944  -0.693   4.883  1.00 96.17           O  
+ATOM   1976  CG  PHE A 250      22.489  -2.781   2.851  1.00 96.17           C  
+ATOM   1977  CD1 PHE A 250      23.749  -2.668   3.424  1.00 96.17           C  
+ATOM   1978  CD2 PHE A 250      21.716  -3.895   3.150  1.00 96.17           C  
+ATOM   1979  CE1 PHE A 250      24.233  -3.652   4.283  1.00 96.17           C  
+ATOM   1980  CE2 PHE A 250      22.192  -4.882   4.007  1.00 96.17           C  
+ATOM   1981  CZ  PHE A 250      23.451  -4.760   4.572  1.00 96.17           C  
+ATOM   1982  N   ASP A 251      21.916   0.884   3.670  1.00 94.24           N  
+ATOM   1983  CA  ASP A 251      22.346   1.664   4.826  1.00 94.24           C  
+ATOM   1984  C   ASP A 251      21.153   2.073   5.687  1.00 94.24           C  
+ATOM   1985  CB  ASP A 251      23.120   2.905   4.378  1.00 94.24           C  
+ATOM   1986  O   ASP A 251      21.202   1.971   6.915  1.00 94.24           O  
+ATOM   1987  CG  ASP A 251      23.723   3.679   5.537  1.00 94.24           C  
+ATOM   1988  OD1 ASP A 251      24.281   3.053   6.464  1.00 94.24           O  
+ATOM   1989  OD2 ASP A 251      23.638   4.926   5.524  1.00 94.24           O  
+ATOM   1990  N   SER A 252      20.088   2.455   5.081  1.00 91.89           N  
+ATOM   1991  CA  SER A 252      18.885   2.893   5.780  1.00 91.89           C  
+ATOM   1992  C   SER A 252      18.195   1.726   6.479  1.00 91.89           C  
+ATOM   1993  CB  SER A 252      17.913   3.563   4.808  1.00 91.89           C  
+ATOM   1994  O   SER A 252      17.665   1.881   7.581  1.00 91.89           O  
+ATOM   1995  OG  SER A 252      16.688   3.868   5.452  1.00 91.89           O  
+ATOM   1996  N   ILE A 253      18.294   0.588   5.931  1.00 92.57           N  
+ATOM   1997  CA  ILE A 253      17.580  -0.577   6.442  1.00 92.57           C  
+ATOM   1998  C   ILE A 253      18.381  -1.218   7.573  1.00 92.57           C  
+ATOM   1999  CB  ILE A 253      17.311  -1.610   5.325  1.00 92.57           C  
+ATOM   2000  O   ILE A 253      17.840  -1.490   8.648  1.00 92.57           O  
+ATOM   2001  CG1 ILE A 253      16.337  -1.036   4.289  1.00 92.57           C  
+ATOM   2002  CG2 ILE A 253      16.774  -2.917   5.915  1.00 92.57           C  
+ATOM   2003  CD1 ILE A 253      14.970  -0.678   4.857  1.00 92.57           C  
+ATOM   2004  N   CYS A 254      19.590  -1.412   7.304  1.00 91.98           N  
+ATOM   2005  CA  CYS A 254      20.418  -2.133   8.263  1.00 91.98           C  
+ATOM   2006  C   CYS A 254      20.564  -1.346   9.560  1.00 91.98           C  
+ATOM   2007  CB  CYS A 254      21.798  -2.419   7.671  1.00 91.98           C  
+ATOM   2008  O   CYS A 254      20.776  -1.928  10.624  1.00 91.98           O  
+ATOM   2009  SG  CYS A 254      22.788  -0.935   7.384  1.00 91.98           S  
+ATOM   2010  N   ASN A 255      20.387  -0.062   9.505  1.00 90.19           N  
+ATOM   2011  CA  ASN A 255      20.570   0.786  10.678  1.00 90.19           C  
+ATOM   2012  C   ASN A 255      19.239   1.330  11.190  1.00 90.19           C  
+ATOM   2013  CB  ASN A 255      21.528   1.937  10.365  1.00 90.19           C  
+ATOM   2014  O   ASN A 255      19.213   2.188  12.074  1.00 90.19           O  
+ATOM   2015  CG  ASN A 255      22.929   1.457  10.038  1.00 90.19           C  
+ATOM   2016  ND2 ASN A 255      23.459   1.904   8.905  1.00 90.19           N  
+ATOM   2017  OD1 ASN A 255      23.529   0.690  10.796  1.00 90.19           O  
+ATOM   2018  N   ASN A 256      18.161   0.794  10.656  1.00 88.27           N  
+ATOM   2019  CA  ASN A 256      16.823   1.219  11.053  1.00 88.27           C  
+ATOM   2020  C   ASN A 256      16.444   0.669  12.425  1.00 88.27           C  
+ATOM   2021  CB  ASN A 256      15.792   0.791  10.007  1.00 88.27           C  
+ATOM   2022  O   ASN A 256      16.696  -0.501  12.721  1.00 88.27           O  
+ATOM   2023  CG  ASN A 256      14.440   1.445  10.217  1.00 88.27           C  
+ATOM   2024  ND2 ASN A 256      13.912   2.066   9.169  1.00 88.27           N  
+ATOM   2025  OD1 ASN A 256      13.876   1.393  11.313  1.00 88.27           O  
+ATOM   2026  N   LYS A 257      15.753   1.473  13.258  1.00 86.38           N  
+ATOM   2027  CA  LYS A 257      15.392   1.133  14.631  1.00 86.38           C  
+ATOM   2028  C   LYS A 257      14.402  -0.028  14.668  1.00 86.38           C  
+ATOM   2029  CB  LYS A 257      14.802   2.349  15.348  1.00 86.38           C  
+ATOM   2030  O   LYS A 257      14.317  -0.746  15.666  1.00 86.38           O  
+ATOM   2031  CG  LYS A 257      15.808   3.457  15.619  1.00 86.38           C  
+ATOM   2032  CD  LYS A 257      15.180   4.603  16.402  1.00 86.38           C  
+ATOM   2033  CE  LYS A 257      16.184   5.718  16.663  1.00 86.38           C  
+ATOM   2034  NZ  LYS A 257      15.565   6.858  17.404  1.00 86.38           N  
+ATOM   2035  N   TRP A 258      13.639  -0.158  13.481  1.00 84.85           N  
+ATOM   2036  CA  TRP A 258      12.652  -1.231  13.425  1.00 84.85           C  
+ATOM   2037  C   TRP A 258      13.331  -2.595  13.397  1.00 84.85           C  
+ATOM   2038  CB  TRP A 258      11.751  -1.069  12.198  1.00 84.85           C  
+ATOM   2039  O   TRP A 258      12.721  -3.607  13.749  1.00 84.85           O  
+ATOM   2040  CG  TRP A 258      10.726   0.016  12.333  1.00 84.85           C  
+ATOM   2041  CD1 TRP A 258      10.850   1.321  11.942  1.00 84.85           C  
+ATOM   2042  CD2 TRP A 258       9.420  -0.108  12.904  1.00 84.85           C  
+ATOM   2043  CE2 TRP A 258       8.806   1.162  12.826  1.00 84.85           C  
+ATOM   2044  CE3 TRP A 258       8.708  -1.171  13.475  1.00 84.85           C  
+ATOM   2045  NE1 TRP A 258       9.699   2.015  12.235  1.00 84.85           N  
+ATOM   2046  CH2 TRP A 258       6.838   0.339  13.851  1.00 84.85           C  
+ATOM   2047  CZ2 TRP A 258       7.513   1.397  13.297  1.00 84.85           C  
+ATOM   2048  CZ3 TRP A 258       7.421  -0.936  13.944  1.00 84.85           C  
+ATOM   2049  N   PHE A 259      14.645  -2.650  13.020  1.00 88.32           N  
+ATOM   2050  CA  PHE A 259      15.284  -3.928  12.728  1.00 88.32           C  
+ATOM   2051  C   PHE A 259      16.456  -4.174  13.669  1.00 88.32           C  
+ATOM   2052  CB  PHE A 259      15.760  -3.972  11.273  1.00 88.32           C  
+ATOM   2053  O   PHE A 259      17.442  -4.809  13.288  1.00 88.32           O  
+ATOM   2054  CG  PHE A 259      14.669  -3.714  10.269  1.00 88.32           C  
+ATOM   2055  CD1 PHE A 259      13.499  -4.462  10.285  1.00 88.32           C  
+ATOM   2056  CD2 PHE A 259      14.815  -2.722   9.307  1.00 88.32           C  
+ATOM   2057  CE1 PHE A 259      12.487  -4.225   9.357  1.00 88.32           C  
+ATOM   2058  CE2 PHE A 259      13.809  -2.479   8.377  1.00 88.32           C  
+ATOM   2059  CZ  PHE A 259      12.646  -3.232   8.403  1.00 88.32           C  
+ATOM   2060  N   THR A 260      16.281  -3.611  14.895  1.00 84.44           N  
+ATOM   2061  CA  THR A 260      17.372  -3.727  15.857  1.00 84.44           C  
+ATOM   2062  C   THR A 260      17.582  -5.183  16.264  1.00 84.44           C  
+ATOM   2063  CB  THR A 260      17.103  -2.875  17.111  1.00 84.44           C  
+ATOM   2064  O   THR A 260      18.720  -5.638  16.392  1.00 84.44           O  
+ATOM   2065  CG2 THR A 260      17.282  -1.389  16.815  1.00 84.44           C  
+ATOM   2066  OG1 THR A 260      15.761  -3.103  17.559  1.00 84.44           O  
+ATOM   2067  N   ASP A 261      16.589  -5.948  16.416  1.00 84.29           N  
+ATOM   2068  CA  ASP A 261      16.675  -7.331  16.875  1.00 84.29           C  
+ATOM   2069  C   ASP A 261      16.405  -8.307  15.731  1.00 84.29           C  
+ATOM   2070  CB  ASP A 261      15.693  -7.579  18.021  1.00 84.29           C  
+ATOM   2071  O   ASP A 261      16.219  -9.504  15.960  1.00 84.29           O  
+ATOM   2072  CG  ASP A 261      16.011  -6.763  19.262  1.00 84.29           C  
+ATOM   2073  OD1 ASP A 261      17.205  -6.578  19.580  1.00 84.29           O  
+ATOM   2074  OD2 ASP A 261      15.058  -6.303  19.928  1.00 84.29           O  
+ATOM   2075  N   THR A 262      16.448  -7.740  14.466  1.00 89.59           N  
+ATOM   2076  CA  THR A 262      16.126  -8.547  13.294  1.00 89.59           C  
+ATOM   2077  C   THR A 262      17.399  -9.017  12.595  1.00 89.59           C  
+ATOM   2078  CB  THR A 262      15.251  -7.762  12.299  1.00 89.59           C  
+ATOM   2079  O   THR A 262      18.338  -8.240  12.415  1.00 89.59           O  
+ATOM   2080  CG2 THR A 262      14.843  -8.637  11.118  1.00 89.59           C  
+ATOM   2081  OG1 THR A 262      14.071  -7.302  12.969  1.00 89.59           O  
+ATOM   2082  N   SER A 263      17.461 -10.359  12.247  1.00 90.59           N  
+ATOM   2083  CA  SER A 263      18.586 -10.876  11.474  1.00 90.59           C  
+ATOM   2084  C   SER A 263      18.567 -10.343  10.046  1.00 90.59           C  
+ATOM   2085  CB  SER A 263      18.569 -12.405  11.458  1.00 90.59           C  
+ATOM   2086  O   SER A 263      17.510 -10.282   9.414  1.00 90.59           O  
+ATOM   2087  OG  SER A 263      18.670 -12.923  12.773  1.00 90.59           O  
+ATOM   2088  N   ILE A 264      19.767  -9.930   9.585  1.00 93.65           N  
+ATOM   2089  CA  ILE A 264      19.852  -9.380   8.236  1.00 93.65           C  
+ATOM   2090  C   ILE A 264      20.730 -10.278   7.367  1.00 93.65           C  
+ATOM   2091  CB  ILE A 264      20.406  -7.938   8.248  1.00 93.65           C  
+ATOM   2092  O   ILE A 264      21.882 -10.552   7.712  1.00 93.65           O  
+ATOM   2093  CG1 ILE A 264      19.481  -7.017   9.052  1.00 93.65           C  
+ATOM   2094  CG2 ILE A 264      20.588  -7.418   6.819  1.00 93.65           C  
+ATOM   2095  CD1 ILE A 264      19.972  -5.579   9.150  1.00 93.65           C  
+ATOM   2096  N   ILE A 265      20.153 -10.693   6.293  1.00 95.47           N  
+ATOM   2097  CA  ILE A 265      20.843 -11.518   5.307  1.00 95.47           C  
+ATOM   2098  C   ILE A 265      21.024 -10.730   4.012  1.00 95.47           C  
+ATOM   2099  CB  ILE A 265      20.076 -12.831   5.032  1.00 95.47           C  
+ATOM   2100  O   ILE A 265      20.063 -10.171   3.478  1.00 95.47           O  
+ATOM   2101  CG1 ILE A 265      19.914 -13.635   6.327  1.00 95.47           C  
+ATOM   2102  CG2 ILE A 265      20.789 -13.658   3.959  1.00 95.47           C  
+ATOM   2103  CD1 ILE A 265      18.509 -13.590   6.913  1.00 95.47           C  
+ATOM   2104  N   LEU A 266      22.213 -10.691   3.555  1.00 96.81           N  
+ATOM   2105  CA  LEU A 266      22.524  -9.951   2.337  1.00 96.81           C  
+ATOM   2106  C   LEU A 266      22.750 -10.901   1.166  1.00 96.81           C  
+ATOM   2107  CB  LEU A 266      23.762  -9.074   2.545  1.00 96.81           C  
+ATOM   2108  O   LEU A 266      23.677 -11.714   1.190  1.00 96.81           O  
+ATOM   2109  CG  LEU A 266      24.233  -8.268   1.333  1.00 96.81           C  
+ATOM   2110  CD1 LEU A 266      23.171  -7.252   0.927  1.00 96.81           C  
+ATOM   2111  CD2 LEU A 266      25.557  -7.574   1.634  1.00 96.81           C  
+ATOM   2112  N   PHE A 267      21.837 -10.785   0.136  1.00 97.74           N  
+ATOM   2113  CA  PHE A 267      21.998 -11.542  -1.099  1.00 97.74           C  
+ATOM   2114  C   PHE A 267      22.668 -10.693  -2.172  1.00 97.74           C  
+ATOM   2115  CB  PHE A 267      20.642 -12.048  -1.602  1.00 97.74           C  
+ATOM   2116  O   PHE A 267      22.104  -9.694  -2.623  1.00 97.74           O  
+ATOM   2117  CG  PHE A 267      20.138 -13.263  -0.870  1.00 97.74           C  
+ATOM   2118  CD1 PHE A 267      20.832 -13.773   0.220  1.00 97.74           C  
+ATOM   2119  CD2 PHE A 267      18.970 -13.897  -1.274  1.00 97.74           C  
+ATOM   2120  CE1 PHE A 267      20.369 -14.897   0.899  1.00 97.74           C  
+ATOM   2121  CE2 PHE A 267      18.501 -15.021  -0.601  1.00 97.74           C  
+ATOM   2122  CZ  PHE A 267      19.202 -15.520   0.485  1.00 97.74           C  
+ATOM   2123  N   LEU A 268      23.855 -11.041  -2.505  1.00 97.68           N  
+ATOM   2124  CA  LEU A 268      24.499 -10.455  -3.676  1.00 97.68           C  
+ATOM   2125  C   LEU A 268      24.190 -11.267  -4.930  1.00 97.68           C  
+ATOM   2126  CB  LEU A 268      26.013 -10.370  -3.469  1.00 97.68           C  
+ATOM   2127  O   LEU A 268      24.899 -12.226  -5.244  1.00 97.68           O  
+ATOM   2128  CG  LEU A 268      26.489  -9.541  -2.276  1.00 97.68           C  
+ATOM   2129  CD1 LEU A 268      27.999  -9.669  -2.109  1.00 97.68           C  
+ATOM   2130  CD2 LEU A 268      26.087  -8.080  -2.446  1.00 97.68           C  
+ATOM   2131  N   ASN A 269      23.084 -10.828  -5.614  1.00 97.61           N  
+ATOM   2132  CA  ASN A 269      22.414 -11.611  -6.646  1.00 97.61           C  
+ATOM   2133  C   ASN A 269      22.965 -11.298  -8.034  1.00 97.61           C  
+ATOM   2134  CB  ASN A 269      20.903 -11.370  -6.608  1.00 97.61           C  
+ATOM   2135  O   ASN A 269      23.790 -10.396  -8.190  1.00 97.61           O  
+ATOM   2136  CG  ASN A 269      20.123 -12.427  -7.365  1.00 97.61           C  
+ATOM   2137  ND2 ASN A 269      18.989 -12.034  -7.932  1.00 97.61           N  
+ATOM   2138  OD1 ASN A 269      20.537 -13.587  -7.438  1.00 97.61           O  
+ATOM   2139  N   LYS A 270      22.687 -12.169  -9.010  1.00 96.62           N  
+ATOM   2140  CA  LYS A 270      23.035 -12.060 -10.424  1.00 96.62           C  
+ATOM   2141  C   LYS A 270      24.540 -12.199 -10.632  1.00 96.62           C  
+ATOM   2142  CB  LYS A 270      22.547 -10.728 -10.996  1.00 96.62           C  
+ATOM   2143  O   LYS A 270      25.143 -11.425 -11.379  1.00 96.62           O  
+ATOM   2144  CG  LYS A 270      21.040 -10.535 -10.917  1.00 96.62           C  
+ATOM   2145  CD  LYS A 270      20.596  -9.286 -11.666  1.00 96.62           C  
+ATOM   2146  CE  LYS A 270      19.118  -8.994 -11.444  1.00 96.62           C  
+ATOM   2147  NZ  LYS A 270      18.646  -7.852 -12.283  1.00 96.62           N  
+ATOM   2148  N   LYS A 271      25.072 -13.092  -9.847  1.00 95.89           N  
+ATOM   2149  CA  LYS A 271      26.515 -13.297  -9.927  1.00 95.89           C  
+ATOM   2150  C   LYS A 271      26.923 -13.807 -11.306  1.00 95.89           C  
+ATOM   2151  CB  LYS A 271      26.980 -14.275  -8.848  1.00 95.89           C  
+ATOM   2152  O   LYS A 271      28.038 -13.551 -11.765  1.00 95.89           O  
+ATOM   2153  CG  LYS A 271      26.482 -15.699  -9.048  1.00 95.89           C  
+ATOM   2154  CD  LYS A 271      27.009 -16.633  -7.966  1.00 95.89           C  
+ATOM   2155  CE  LYS A 271      26.595 -18.076  -8.220  1.00 95.89           C  
+ATOM   2156  NZ  LYS A 271      27.206 -19.011  -7.229  1.00 95.89           N  
+ATOM   2157  N   ASP A 272      26.030 -14.535 -12.009  1.00 94.76           N  
+ATOM   2158  CA  ASP A 272      26.289 -15.048 -13.350  1.00 94.76           C  
+ATOM   2159  C   ASP A 272      26.477 -13.908 -14.348  1.00 94.76           C  
+ATOM   2160  CB  ASP A 272      25.150 -15.963 -13.804  1.00 94.76           C  
+ATOM   2161  O   ASP A 272      27.418 -13.921 -15.145  1.00 94.76           O  
+ATOM   2162  CG  ASP A 272      23.790 -15.290 -13.743  1.00 94.76           C  
+ATOM   2163  OD1 ASP A 272      23.493 -14.604 -12.741  1.00 94.76           O  
+ATOM   2164  OD2 ASP A 272      23.006 -15.450 -14.703  1.00 94.76           O  
+ATOM   2165  N   LEU A 273      25.591 -12.922 -14.251  1.00 94.33           N  
+ATOM   2166  CA  LEU A 273      25.667 -11.782 -15.158  1.00 94.33           C  
+ATOM   2167  C   LEU A 273      26.851 -10.887 -14.809  1.00 94.33           C  
+ATOM   2168  CB  LEU A 273      24.369 -10.972 -15.110  1.00 94.33           C  
+ATOM   2169  O   LEU A 273      27.500 -10.333 -15.699  1.00 94.33           O  
+ATOM   2170  CG  LEU A 273      23.098 -11.700 -15.553  1.00 94.33           C  
+ATOM   2171  CD1 LEU A 273      21.888 -10.782 -15.419  1.00 94.33           C  
+ATOM   2172  CD2 LEU A 273      23.240 -12.200 -16.986  1.00 94.33           C  
+ATOM   2173  N   PHE A 274      27.120 -10.774 -13.567  1.00 96.14           N  
+ATOM   2174  CA  PHE A 274      28.246  -9.972 -13.104  1.00 96.14           C  
+ATOM   2175  C   PHE A 274      29.564 -10.545 -13.610  1.00 96.14           C  
+ATOM   2176  CB  PHE A 274      28.260  -9.896 -11.574  1.00 96.14           C  
+ATOM   2177  O   PHE A 274      30.437  -9.801 -14.063  1.00 96.14           O  
+ATOM   2178  CG  PHE A 274      29.418  -9.114 -11.015  1.00 96.14           C  
+ATOM   2179  CD1 PHE A 274      30.431  -9.752 -10.310  1.00 96.14           C  
+ATOM   2180  CD2 PHE A 274      29.494  -7.739 -11.196  1.00 96.14           C  
+ATOM   2181  CE1 PHE A 274      31.504  -9.031  -9.793  1.00 96.14           C  
+ATOM   2182  CE2 PHE A 274      30.563  -7.011 -10.681  1.00 96.14           C  
+ATOM   2183  CZ  PHE A 274      31.566  -7.659  -9.979  1.00 96.14           C  
+ATOM   2184  N   GLU A 275      29.696 -11.850 -13.532  1.00 95.73           N  
+ATOM   2185  CA  GLU A 275      30.913 -12.529 -13.965  1.00 95.73           C  
+ATOM   2186  C   GLU A 275      31.215 -12.238 -15.432  1.00 95.73           C  
+ATOM   2187  CB  GLU A 275      30.794 -14.039 -13.742  1.00 95.73           C  
+ATOM   2188  O   GLU A 275      32.371 -12.018 -15.801  1.00 95.73           O  
+ATOM   2189  CG  GLU A 275      32.087 -14.801 -13.994  1.00 95.73           C  
+ATOM   2190  CD  GLU A 275      32.021 -16.256 -13.557  1.00 95.73           C  
+ATOM   2191  OE1 GLU A 275      33.076 -16.929 -13.526  1.00 95.73           O  
+ATOM   2192  OE2 GLU A 275      30.905 -16.727 -13.244  1.00 95.73           O  
+ATOM   2193  N   GLU A 276      30.187 -12.168 -16.210  1.00 93.04           N  
+ATOM   2194  CA  GLU A 276      30.359 -11.911 -17.636  1.00 93.04           C  
+ATOM   2195  C   GLU A 276      30.598 -10.428 -17.905  1.00 93.04           C  
+ATOM   2196  CB  GLU A 276      29.138 -12.398 -18.421  1.00 93.04           C  
+ATOM   2197  O   GLU A 276      31.459 -10.069 -18.711  1.00 93.04           O  
+ATOM   2198  CG  GLU A 276      28.995 -13.913 -18.458  1.00 93.04           C  
+ATOM   2199  CD  GLU A 276      30.122 -14.604 -19.209  1.00 93.04           C  
+ATOM   2200  OE1 GLU A 276      30.583 -15.677 -18.759  1.00 93.04           O  
+ATOM   2201  OE2 GLU A 276      30.549 -14.067 -20.255  1.00 93.04           O  
+ATOM   2202  N   LYS A 277      30.011  -9.625 -17.191  1.00 93.10           N  
+ATOM   2203  CA  LYS A 277      30.001  -8.183 -17.417  1.00 93.10           C  
+ATOM   2204  C   LYS A 277      31.310  -7.546 -16.958  1.00 93.10           C  
+ATOM   2205  CB  LYS A 277      28.821  -7.534 -16.692  1.00 93.10           C  
+ATOM   2206  O   LYS A 277      31.797  -6.599 -17.579  1.00 93.10           O  
+ATOM   2207  CG  LYS A 277      28.519  -6.114 -17.149  1.00 93.10           C  
+ATOM   2208  CD  LYS A 277      27.231  -5.589 -16.527  1.00 93.10           C  
+ATOM   2209  CE  LYS A 277      26.749  -4.323 -17.223  1.00 93.10           C  
+ATOM   2210  NZ  LYS A 277      25.455  -3.839 -16.657  1.00 93.10           N  
+ATOM   2211  N   ILE A 278      31.889  -8.060 -15.911  1.00 93.80           N  
+ATOM   2212  CA  ILE A 278      33.101  -7.488 -15.335  1.00 93.80           C  
+ATOM   2213  C   ILE A 278      34.257  -7.628 -16.322  1.00 93.80           C  
+ATOM   2214  CB  ILE A 278      33.459  -8.159 -13.991  1.00 93.80           C  
+ATOM   2215  O   ILE A 278      35.221  -6.860 -16.272  1.00 93.80           O  
+ATOM   2216  CG1 ILE A 278      34.489  -7.316 -13.230  1.00 93.80           C  
+ATOM   2217  CG2 ILE A 278      33.977  -9.582 -14.219  1.00 93.80           C  
+ATOM   2218  CD1 ILE A 278      33.972  -5.951 -12.795  1.00 93.80           C  
+ATOM   2219  N   LYS A 279      34.149  -8.558 -17.255  1.00 93.09           N  
+ATOM   2220  CA  LYS A 279      35.165  -8.755 -18.284  1.00 93.09           C  
+ATOM   2221  C   LYS A 279      35.115  -7.640 -19.325  1.00 93.09           C  
+ATOM   2222  CB  LYS A 279      34.987 -10.114 -18.963  1.00 93.09           C  
+ATOM   2223  O   LYS A 279      36.130  -7.318 -19.947  1.00 93.09           O  
+ATOM   2224  CG  LYS A 279      35.184 -11.301 -18.031  1.00 93.09           C  
+ATOM   2225  CD  LYS A 279      34.920 -12.621 -18.745  1.00 93.09           C  
+ATOM   2226  CE  LYS A 279      35.041 -13.805 -17.795  1.00 93.09           C  
+ATOM   2227  NZ  LYS A 279      34.705 -15.093 -18.471  1.00 93.09           N  
+ATOM   2228  N   LYS A 280      33.992  -6.927 -19.405  1.00 90.47           N  
+ATOM   2229  CA  LYS A 280      33.786  -5.938 -20.459  1.00 90.47           C  
+ATOM   2230  C   LYS A 280      33.746  -4.525 -19.886  1.00 90.47           C  
+ATOM   2231  CB  LYS A 280      32.494  -6.230 -21.223  1.00 90.47           C  
+ATOM   2232  O   LYS A 280      34.115  -3.564 -20.565  1.00 90.47           O  
+ATOM   2233  CG  LYS A 280      32.476  -7.585 -21.915  1.00 90.47           C  
+ATOM   2234  CD  LYS A 280      31.138  -7.850 -22.593  1.00 90.47           C  
+ATOM   2235  CE  LYS A 280      31.084  -9.245 -23.201  1.00 90.47           C  
+ATOM   2236  NZ  LYS A 280      29.752  -9.532 -23.812  1.00 90.47           N  
+ATOM   2237  N   SER A 281      33.266  -4.424 -18.643  1.00 91.27           N  
+ATOM   2238  CA  SER A 281      33.097  -3.129 -17.993  1.00 91.27           C  
+ATOM   2239  C   SER A 281      33.826  -3.083 -16.654  1.00 91.27           C  
+ATOM   2240  CB  SER A 281      31.613  -2.823 -17.785  1.00 91.27           C  
+ATOM   2241  O   SER A 281      33.535  -3.876 -15.755  1.00 91.27           O  
+ATOM   2242  OG  SER A 281      31.438  -1.525 -17.242  1.00 91.27           O  
+ATOM   2243  N   PRO A 282      34.727  -2.120 -16.563  1.00 92.95           N  
+ATOM   2244  CA  PRO A 282      35.513  -2.032 -15.330  1.00 92.95           C  
+ATOM   2245  C   PRO A 282      34.681  -1.588 -14.130  1.00 92.95           C  
+ATOM   2246  CB  PRO A 282      36.584  -0.991 -15.668  1.00 92.95           C  
+ATOM   2247  O   PRO A 282      33.730  -0.816 -14.285  1.00 92.95           O  
+ATOM   2248  CG  PRO A 282      35.978  -0.157 -16.750  1.00 92.95           C  
+ATOM   2249  CD  PRO A 282      35.060  -1.024 -17.563  1.00 92.95           C  
+ATOM   2250  N   LEU A 283      35.056  -2.045 -12.961  1.00 94.28           N  
+ATOM   2251  CA  LEU A 283      34.364  -1.722 -11.718  1.00 94.28           C  
+ATOM   2252  C   LEU A 283      34.566  -0.257 -11.348  1.00 94.28           C  
+ATOM   2253  CB  LEU A 283      34.857  -2.620 -10.580  1.00 94.28           C  
+ATOM   2254  O   LEU A 283      33.803   0.299 -10.555  1.00 94.28           O  
+ATOM   2255  CG  LEU A 283      34.078  -2.540  -9.267  1.00 94.28           C  
+ATOM   2256  CD1 LEU A 283      32.623  -2.940  -9.488  1.00 94.28           C  
+ATOM   2257  CD2 LEU A 283      34.726  -3.422  -8.205  1.00 94.28           C  
+ATOM   2258  N   THR A 284      35.558   0.335 -11.865  1.00 92.72           N  
+ATOM   2259  CA  THR A 284      35.928   1.714 -11.566  1.00 92.72           C  
+ATOM   2260  C   THR A 284      34.832   2.677 -12.013  1.00 92.72           C  
+ATOM   2261  CB  THR A 284      37.257   2.095 -12.245  1.00 92.72           C  
+ATOM   2262  O   THR A 284      34.791   3.827 -11.571  1.00 92.72           O  
+ATOM   2263  CG2 THR A 284      38.433   1.373 -11.595  1.00 92.72           C  
+ATOM   2264  OG1 THR A 284      37.199   1.738 -13.631  1.00 92.72           O  
+ATOM   2265  N   ILE A 285      33.906   2.274 -12.777  1.00 91.32           N  
+ATOM   2266  CA  ILE A 285      32.773   3.086 -13.208  1.00 91.32           C  
+ATOM   2267  C   ILE A 285      31.921   3.466 -11.999  1.00 91.32           C  
+ATOM   2268  CB  ILE A 285      31.914   2.346 -14.258  1.00 91.32           C  
+ATOM   2269  O   ILE A 285      31.438   4.596 -11.902  1.00 91.32           O  
+ATOM   2270  CG1 ILE A 285      32.685   2.206 -15.575  1.00 91.32           C  
+ATOM   2271  CG2 ILE A 285      30.584   3.073 -14.476  1.00 91.32           C  
+ATOM   2272  CD1 ILE A 285      31.980   1.347 -16.616  1.00 91.32           C  
+ATOM   2273  N   CYS A 286      31.744   2.503 -11.213  1.00 91.64           N  
+ATOM   2274  CA  CYS A 286      30.935   2.716 -10.018  1.00 91.64           C  
+ATOM   2275  C   CYS A 286      31.811   3.080  -8.825  1.00 91.64           C  
+ATOM   2276  CB  CYS A 286      30.113   1.469  -9.697  1.00 91.64           C  
+ATOM   2277  O   CYS A 286      31.409   3.875  -7.974  1.00 91.64           O  
+ATOM   2278  SG  CYS A 286      29.016   1.666  -8.275  1.00 91.64           S  
+ATOM   2279  N   TYR A 287      32.994   2.537  -8.757  1.00 92.48           N  
+ATOM   2280  CA  TYR A 287      33.948   2.751  -7.674  1.00 92.48           C  
+ATOM   2281  C   TYR A 287      35.273   3.280  -8.211  1.00 92.48           C  
+ATOM   2282  CB  TYR A 287      34.181   1.452  -6.897  1.00 92.48           C  
+ATOM   2283  O   TYR A 287      36.204   2.508  -8.453  1.00 92.48           O  
+ATOM   2284  CG  TYR A 287      32.928   0.882  -6.278  1.00 92.48           C  
+ATOM   2285  CD1 TYR A 287      32.379   1.443  -5.127  1.00 92.48           C  
+ATOM   2286  CD2 TYR A 287      32.290  -0.218  -6.842  1.00 92.48           C  
+ATOM   2287  CE1 TYR A 287      31.226   0.920  -4.551  1.00 92.48           C  
+ATOM   2288  CE2 TYR A 287      31.136  -0.749  -6.275  1.00 92.48           C  
+ATOM   2289  OH  TYR A 287      29.470  -0.695  -4.567  1.00 92.48           O  
+ATOM   2290  CZ  TYR A 287      30.612  -0.174  -5.132  1.00 92.48           C  
+ATOM   2291  N   PRO A 288      35.366   4.563  -8.367  1.00 91.50           N  
+ATOM   2292  CA  PRO A 288      36.566   5.154  -8.964  1.00 91.50           C  
+ATOM   2293  C   PRO A 288      37.829   4.871  -8.154  1.00 91.50           C  
+ATOM   2294  CB  PRO A 288      36.251   6.652  -8.978  1.00 91.50           C  
+ATOM   2295  O   PRO A 288      38.925   4.800  -8.717  1.00 91.50           O  
+ATOM   2296  CG  PRO A 288      34.759   6.729  -8.933  1.00 91.50           C  
+ATOM   2297  CD  PRO A 288      34.241   5.531  -8.191  1.00 91.50           C  
+ATOM   2298  N   GLU A 289      37.633   4.543  -6.873  1.00 91.18           N  
+ATOM   2299  CA  GLU A 289      38.767   4.333  -5.978  1.00 91.18           C  
+ATOM   2300  C   GLU A 289      39.193   2.868  -5.961  1.00 91.18           C  
+ATOM   2301  CB  GLU A 289      38.426   4.799  -4.560  1.00 91.18           C  
+ATOM   2302  O   GLU A 289      40.154   2.504  -5.281  1.00 91.18           O  
+ATOM   2303  CG  GLU A 289      38.072   6.276  -4.466  1.00 91.18           C  
+ATOM   2304  CD  GLU A 289      37.981   6.781  -3.035  1.00 91.18           C  
+ATOM   2305  OE1 GLU A 289      37.789   8.001  -2.833  1.00 91.18           O  
+ATOM   2306  OE2 GLU A 289      38.102   5.949  -2.108  1.00 91.18           O  
+ATOM   2307  N   TYR A 290      38.602   2.014  -6.665  1.00 92.22           N  
+ATOM   2308  CA  TYR A 290      38.901   0.587  -6.701  1.00 92.22           C  
+ATOM   2309  C   TYR A 290      40.223   0.324  -7.410  1.00 92.22           C  
+ATOM   2310  CB  TYR A 290      37.773  -0.181  -7.397  1.00 92.22           C  
+ATOM   2311  O   TYR A 290      40.417   0.748  -8.552  1.00 92.22           O  
+ATOM   2312  CG  TYR A 290      38.029  -1.664  -7.511  1.00 92.22           C  
+ATOM   2313  CD1 TYR A 290      38.237  -2.262  -8.752  1.00 92.22           C  
+ATOM   2314  CD2 TYR A 290      38.063  -2.471  -6.378  1.00 92.22           C  
+ATOM   2315  CE1 TYR A 290      38.471  -3.628  -8.862  1.00 92.22           C  
+ATOM   2316  CE2 TYR A 290      38.296  -3.839  -6.477  1.00 92.22           C  
+ATOM   2317  OH  TYR A 290      38.731  -5.761  -7.824  1.00 92.22           O  
+ATOM   2318  CZ  TYR A 290      38.499  -4.407  -7.721  1.00 92.22           C  
+ATOM   2319  N   ALA A 291      41.166  -0.284  -6.708  1.00 89.80           N  
+ATOM   2320  CA  ALA A 291      42.510  -0.521  -7.230  1.00 89.80           C  
+ATOM   2321  C   ALA A 291      42.710  -1.992  -7.583  1.00 89.80           C  
+ATOM   2322  CB  ALA A 291      43.561  -0.073  -6.217  1.00 89.80           C  
+ATOM   2323  O   ALA A 291      43.795  -2.393  -8.011  1.00 89.80           O  
+ATOM   2324  N   GLY A 292      41.687  -2.779  -7.410  1.00 87.34           N  
+ATOM   2325  CA  GLY A 292      41.806  -4.205  -7.666  1.00 87.34           C  
+ATOM   2326  C   GLY A 292      41.651  -4.563  -9.132  1.00 87.34           C  
+ATOM   2327  O   GLY A 292      41.399  -3.692  -9.967  1.00 87.34           O  
+ATOM   2328  N   SER A 293      41.924  -5.872  -9.454  1.00 90.28           N  
+ATOM   2329  CA  SER A 293      41.781  -6.365 -10.820  1.00 90.28           C  
+ATOM   2330  C   SER A 293      40.313  -6.539 -11.194  1.00 90.28           C  
+ATOM   2331  CB  SER A 293      42.520  -7.693 -10.991  1.00 90.28           C  
+ATOM   2332  O   SER A 293      39.452  -6.647 -10.318  1.00 90.28           O  
+ATOM   2333  OG  SER A 293      41.961  -8.692 -10.154  1.00 90.28           O  
+ATOM   2334  N   ASN A 294      39.969  -6.415 -12.397  1.00 91.91           N  
+ATOM   2335  CA  ASN A 294      38.614  -6.579 -12.913  1.00 91.91           C  
+ATOM   2336  C   ASN A 294      38.245  -8.052 -13.062  1.00 91.91           C  
+ATOM   2337  CB  ASN A 294      38.457  -5.854 -14.251  1.00 91.91           C  
+ATOM   2338  O   ASN A 294      37.666  -8.452 -14.073  1.00 91.91           O  
+ATOM   2339  CG  ASN A 294      38.246  -4.362 -14.085  1.00 91.91           C  
+ATOM   2340  ND2 ASN A 294      38.811  -3.579 -14.997  1.00 91.91           N  
+ATOM   2341  OD1 ASN A 294      37.582  -3.917 -13.146  1.00 91.91           O  
+ATOM   2342  N   THR A 295      38.721  -8.840 -12.036  1.00 93.30           N  
+ATOM   2343  CA  THR A 295      38.346 -10.247 -11.961  1.00 93.30           C  
+ATOM   2344  C   THR A 295      37.151 -10.440 -11.032  1.00 93.30           C  
+ATOM   2345  CB  THR A 295      39.523 -11.114 -11.476  1.00 93.30           C  
+ATOM   2346  O   THR A 295      36.906  -9.616 -10.149  1.00 93.30           O  
+ATOM   2347  CG2 THR A 295      40.725 -10.981 -12.406  1.00 93.30           C  
+ATOM   2348  OG1 THR A 295      39.904 -10.698 -10.159  1.00 93.30           O  
+ATOM   2349  N   TYR A 296      36.364 -11.414 -11.307  1.00 93.87           N  
+ATOM   2350  CA  TYR A 296      35.148 -11.683 -10.547  1.00 93.87           C  
+ATOM   2351  C   TYR A 296      35.445 -11.765  -9.054  1.00 93.87           C  
+ATOM   2352  CB  TYR A 296      34.495 -12.985 -11.021  1.00 93.87           C  
+ATOM   2353  O   TYR A 296      34.792 -11.098  -8.248  1.00 93.87           O  
+ATOM   2354  CG  TYR A 296      33.415 -13.494 -10.097  1.00 93.87           C  
+ATOM   2355  CD1 TYR A 296      33.665 -14.539  -9.211  1.00 93.87           C  
+ATOM   2356  CD2 TYR A 296      32.143 -12.931 -10.108  1.00 93.87           C  
+ATOM   2357  CE1 TYR A 296      32.673 -15.013  -8.359  1.00 93.87           C  
+ATOM   2358  CE2 TYR A 296      31.143 -13.397  -9.261  1.00 93.87           C  
+ATOM   2359  OH  TYR A 296      30.431 -14.901  -7.550  1.00 93.87           O  
+ATOM   2360  CZ  TYR A 296      31.417 -14.436  -8.391  1.00 93.87           C  
+ATOM   2361  N   GLU A 297      36.400 -12.506  -8.667  1.00 93.95           N  
+ATOM   2362  CA  GLU A 297      36.690 -12.797  -7.266  1.00 93.95           C  
+ATOM   2363  C   GLU A 297      37.047 -11.527  -6.500  1.00 93.95           C  
+ATOM   2364  CB  GLU A 297      37.826 -13.817  -7.153  1.00 93.95           C  
+ATOM   2365  O   GLU A 297      36.472 -11.249  -5.446  1.00 93.95           O  
+ATOM   2366  CG  GLU A 297      37.455 -15.208  -7.645  1.00 93.95           C  
+ATOM   2367  CD  GLU A 297      37.487 -15.338  -9.160  1.00 93.95           C  
+ATOM   2368  OE1 GLU A 297      36.921 -16.316  -9.697  1.00 93.95           O  
+ATOM   2369  OE2 GLU A 297      38.084 -14.453  -9.814  1.00 93.95           O  
+ATOM   2370  N   GLU A 298      37.945 -10.687  -7.092  1.00 93.98           N  
+ATOM   2371  CA  GLU A 298      38.412  -9.488  -6.402  1.00 93.98           C  
+ATOM   2372  C   GLU A 298      37.332  -8.409  -6.378  1.00 93.98           C  
+ATOM   2373  CB  GLU A 298      39.682  -8.947  -7.062  1.00 93.98           C  
+ATOM   2374  O   GLU A 298      37.108  -7.770  -5.348  1.00 93.98           O  
+ATOM   2375  CG  GLU A 298      40.932  -9.756  -6.747  1.00 93.98           C  
+ATOM   2376  CD  GLU A 298      42.212  -9.097  -7.234  1.00 93.98           C  
+ATOM   2377  OE1 GLU A 298      43.285  -9.739  -7.178  1.00 93.98           O  
+ATOM   2378  OE2 GLU A 298      42.142  -7.927  -7.673  1.00 93.98           O  
+ATOM   2379  N   ALA A 299      36.644  -8.299  -7.503  1.00 94.99           N  
+ATOM   2380  CA  ALA A 299      35.606  -7.279  -7.620  1.00 94.99           C  
+ATOM   2381  C   ALA A 299      34.415  -7.603  -6.723  1.00 94.99           C  
+ATOM   2382  CB  ALA A 299      35.154  -7.143  -9.072  1.00 94.99           C  
+ATOM   2383  O   ALA A 299      33.891  -6.725  -6.034  1.00 94.99           O  
+ATOM   2384  N   ALA A 300      33.996  -8.887  -6.741  1.00 95.75           N  
+ATOM   2385  CA  ALA A 300      32.874  -9.325  -5.915  1.00 95.75           C  
+ATOM   2386  C   ALA A 300      33.186  -9.154  -4.431  1.00 95.75           C  
+ATOM   2387  CB  ALA A 300      32.527 -10.781  -6.218  1.00 95.75           C  
+ATOM   2388  O   ALA A 300      32.339  -8.693  -3.662  1.00 95.75           O  
+ATOM   2389  N   ALA A 301      34.393  -9.461  -4.023  1.00 95.41           N  
+ATOM   2390  CA  ALA A 301      34.824  -9.311  -2.636  1.00 95.41           C  
+ATOM   2391  C   ALA A 301      34.813  -7.845  -2.214  1.00 95.41           C  
+ATOM   2392  CB  ALA A 301      36.216  -9.907  -2.443  1.00 95.41           C  
+ATOM   2393  O   ALA A 301      34.439  -7.520  -1.084  1.00 95.41           O  
+ATOM   2394  N   TYR A 302      35.206  -6.998  -3.141  1.00 95.71           N  
+ATOM   2395  CA  TYR A 302      35.217  -5.566  -2.866  1.00 95.71           C  
+ATOM   2396  C   TYR A 302      33.804  -5.046  -2.627  1.00 95.71           C  
+ATOM   2397  CB  TYR A 302      35.866  -4.801  -4.024  1.00 95.71           C  
+ATOM   2398  O   TYR A 302      33.563  -4.301  -1.674  1.00 95.71           O  
+ATOM   2399  CG  TYR A 302      36.010  -3.320  -3.768  1.00 95.71           C  
+ATOM   2400  CD1 TYR A 302      35.112  -2.408  -4.318  1.00 95.71           C  
+ATOM   2401  CD2 TYR A 302      37.043  -2.831  -2.977  1.00 95.71           C  
+ATOM   2402  CE1 TYR A 302      35.241  -1.043  -4.086  1.00 95.71           C  
+ATOM   2403  CE2 TYR A 302      37.183  -1.467  -2.739  1.00 95.71           C  
+ATOM   2404  OH  TYR A 302      36.411   0.768  -3.064  1.00 95.71           O  
+ATOM   2405  CZ  TYR A 302      36.278  -0.583  -3.296  1.00 95.71           C  
+ATOM   2406  N   ILE A 303      32.920  -5.424  -3.485  1.00 95.96           N  
+ATOM   2407  CA  ILE A 303      31.535  -4.984  -3.356  1.00 95.96           C  
+ATOM   2408  C   ILE A 303      30.948  -5.504  -2.046  1.00 95.96           C  
+ATOM   2409  CB  ILE A 303      30.678  -5.458  -4.552  1.00 95.96           C  
+ATOM   2410  O   ILE A 303      30.241  -4.777  -1.343  1.00 95.96           O  
+ATOM   2411  CG1 ILE A 303      31.129  -4.761  -5.841  1.00 95.96           C  
+ATOM   2412  CG2 ILE A 303      29.191  -5.206  -4.284  1.00 95.96           C  
+ATOM   2413  CD1 ILE A 303      30.429  -5.266  -7.095  1.00 95.96           C  
+ATOM   2414  N   GLN A 304      31.233  -6.761  -1.756  1.00 96.01           N  
+ATOM   2415  CA  GLN A 304      30.799  -7.344  -0.490  1.00 96.01           C  
+ATOM   2416  C   GLN A 304      31.259  -6.497   0.692  1.00 96.01           C  
+ATOM   2417  CB  GLN A 304      31.326  -8.773  -0.349  1.00 96.01           C  
+ATOM   2418  O   GLN A 304      30.469  -6.190   1.587  1.00 96.01           O  
+ATOM   2419  CG  GLN A 304      30.930  -9.448   0.958  1.00 96.01           C  
+ATOM   2420  CD  GLN A 304      31.485 -10.854   1.084  1.00 96.01           C  
+ATOM   2421  NE2 GLN A 304      31.351 -11.441   2.268  1.00 96.01           N  
+ATOM   2422  OE1 GLN A 304      32.029 -11.409   0.124  1.00 96.01           O  
+ATOM   2423  N   CYS A 305      32.464  -6.114   0.686  1.00 94.86           N  
+ATOM   2424  CA  CYS A 305      33.034  -5.309   1.761  1.00 94.86           C  
+ATOM   2425  C   CYS A 305      32.345  -3.953   1.851  1.00 94.86           C  
+ATOM   2426  CB  CYS A 305      34.535  -5.117   1.548  1.00 94.86           C  
+ATOM   2427  O   CYS A 305      32.081  -3.457   2.947  1.00 94.86           O  
+ATOM   2428  SG  CYS A 305      35.515  -6.592   1.900  1.00 94.86           S  
+ATOM   2429  N   GLN A 306      32.022  -3.411   0.784  1.00 95.06           N  
+ATOM   2430  CA  GLN A 306      31.363  -2.110   0.755  1.00 95.06           C  
+ATOM   2431  C   GLN A 306      30.006  -2.166   1.451  1.00 95.06           C  
+ATOM   2432  CB  GLN A 306      31.195  -1.624  -0.686  1.00 95.06           C  
+ATOM   2433  O   GLN A 306      29.652  -1.258   2.206  1.00 95.06           O  
+ATOM   2434  CG  GLN A 306      32.506  -1.263  -1.370  1.00 95.06           C  
+ATOM   2435  CD  GLN A 306      33.252  -0.150  -0.658  1.00 95.06           C  
+ATOM   2436  NE2 GLN A 306      34.527  -0.384  -0.365  1.00 95.06           N  
+ATOM   2437  OE1 GLN A 306      32.688   0.911  -0.376  1.00 95.06           O  
+ATOM   2438  N   PHE A 307      29.312  -3.179   1.282  1.00 95.74           N  
+ATOM   2439  CA  PHE A 307      27.993  -3.314   1.888  1.00 95.74           C  
+ATOM   2440  C   PHE A 307      28.110  -3.659   3.368  1.00 95.74           C  
+ATOM   2441  CB  PHE A 307      27.175  -4.387   1.162  1.00 95.74           C  
+ATOM   2442  O   PHE A 307      27.386  -3.105   4.198  1.00 95.74           O  
+ATOM   2443  CG  PHE A 307      26.420  -3.870  -0.033  1.00 95.74           C  
+ATOM   2444  CD1 PHE A 307      25.138  -3.351   0.108  1.00 95.74           C  
+ATOM   2445  CD2 PHE A 307      26.993  -3.902  -1.298  1.00 95.74           C  
+ATOM   2446  CE1 PHE A 307      24.438  -2.872  -0.996  1.00 95.74           C  
+ATOM   2447  CE2 PHE A 307      26.299  -3.425  -2.406  1.00 95.74           C  
+ATOM   2448  CZ  PHE A 307      25.021  -2.911  -2.253  1.00 95.74           C  
+ATOM   2449  N   GLU A 308      28.992  -4.486   3.650  1.00 94.00           N  
+ATOM   2450  CA  GLU A 308      29.176  -4.895   5.039  1.00 94.00           C  
+ATOM   2451  C   GLU A 308      29.656  -3.728   5.898  1.00 94.00           C  
+ATOM   2452  CB  GLU A 308      30.166  -6.058   5.131  1.00 94.00           C  
+ATOM   2453  O   GLU A 308      29.324  -3.645   7.083  1.00 94.00           O  
+ATOM   2454  CG  GLU A 308      29.595  -7.390   4.664  1.00 94.00           C  
+ATOM   2455  CD  GLU A 308      30.590  -8.536   4.760  1.00 94.00           C  
+ATOM   2456  OE1 GLU A 308      30.178  -9.710   4.620  1.00 94.00           O  
+ATOM   2457  OE2 GLU A 308      31.790  -8.257   4.980  1.00 94.00           O  
+ATOM   2458  N   ASP A 309      30.367  -2.839   5.318  1.00 94.42           N  
+ATOM   2459  CA  ASP A 309      30.909  -1.684   6.027  1.00 94.42           C  
+ATOM   2460  C   ASP A 309      29.817  -0.658   6.320  1.00 94.42           C  
+ATOM   2461  CB  ASP A 309      32.035  -1.037   5.218  1.00 94.42           C  
+ATOM   2462  O   ASP A 309      30.014   0.255   7.124  1.00 94.42           O  
+ATOM   2463  CG  ASP A 309      33.336  -1.817   5.285  1.00 94.42           C  
+ATOM   2464  OD1 ASP A 309      33.466  -2.714   6.145  1.00 94.42           O  
+ATOM   2465  OD2 ASP A 309      34.241  -1.530   4.471  1.00 94.42           O  
+ATOM   2466  N   LEU A 310      28.680  -0.863   5.705  1.00 94.05           N  
+ATOM   2467  CA  LEU A 310      27.579   0.067   5.932  1.00 94.05           C  
+ATOM   2468  C   LEU A 310      26.883  -0.229   7.256  1.00 94.05           C  
+ATOM   2469  CB  LEU A 310      26.570  -0.006   4.784  1.00 94.05           C  
+ATOM   2470  O   LEU A 310      26.109   0.593   7.753  1.00 94.05           O  
+ATOM   2471  CG  LEU A 310      27.033   0.553   3.438  1.00 94.05           C  
+ATOM   2472  CD1 LEU A 310      25.979   0.294   2.366  1.00 94.05           C  
+ATOM   2473  CD2 LEU A 310      27.333   2.043   3.552  1.00 94.05           C  
+ATOM   2474  N   ASN A 311      27.172  -1.393   7.817  1.00 92.16           N  
+ATOM   2475  CA  ASN A 311      26.633  -1.787   9.114  1.00 92.16           C  
+ATOM   2476  C   ASN A 311      27.348  -1.073  10.258  1.00 92.16           C  
+ATOM   2477  CB  ASN A 311      26.725  -3.304   9.295  1.00 92.16           C  
+ATOM   2478  O   ASN A 311      28.506  -1.373  10.556  1.00 92.16           O  
+ATOM   2479  CG  ASN A 311      26.115  -3.774  10.601  1.00 92.16           C  
+ATOM   2480  ND2 ASN A 311      26.471  -4.983  11.021  1.00 92.16           N  
+ATOM   2481  OD1 ASN A 311      25.329  -3.058  11.227  1.00 92.16           O  
+ATOM   2482  N   LYS A 312      26.707  -0.198  10.921  1.00 88.97           N  
+ATOM   2483  CA  LYS A 312      27.279   0.632  11.977  1.00 88.97           C  
+ATOM   2484  C   LYS A 312      27.287  -0.107  13.313  1.00 88.97           C  
+ATOM   2485  CB  LYS A 312      26.504   1.943  12.109  1.00 88.97           C  
+ATOM   2486  O   LYS A 312      27.993   0.289  14.243  1.00 88.97           O  
+ATOM   2487  CG  LYS A 312      26.630   2.861  10.901  1.00 88.97           C  
+ATOM   2488  CD  LYS A 312      25.851   4.155  11.099  1.00 88.97           C  
+ATOM   2489  CE  LYS A 312      25.974   5.072   9.890  1.00 88.97           C  
+ATOM   2490  NZ  LYS A 312      25.159   6.313  10.051  1.00 88.97           N  
+ATOM   2491  N   ARG A 313      26.607  -1.255  13.396  1.00 83.74           N  
+ATOM   2492  CA  ARG A 313      26.523  -2.049  14.617  1.00 83.74           C  
+ATOM   2493  C   ARG A 313      27.222  -3.394  14.444  1.00 83.74           C  
+ATOM   2494  CB  ARG A 313      25.062  -2.265  15.018  1.00 83.74           C  
+ATOM   2495  O   ARG A 313      26.661  -4.439  14.781  1.00 83.74           O  
+ATOM   2496  CG  ARG A 313      24.324  -0.984  15.371  1.00 83.74           C  
+ATOM   2497  CD  ARG A 313      22.860  -1.247  15.693  1.00 83.74           C  
+ATOM   2498  NE  ARG A 313      22.036  -0.064  15.461  1.00 83.74           N  
+ATOM   2499  NH1 ARG A 313      20.055  -1.063  16.104  1.00 83.74           N  
+ATOM   2500  NH2 ARG A 313      20.070   1.124  15.417  1.00 83.74           N  
+ATOM   2501  CZ  ARG A 313      20.722  -0.004  15.661  1.00 83.74           C  
+ATOM   2502  N   LYS A 314      28.467  -3.395  14.004  1.00 80.69           N  
+ATOM   2503  CA  LYS A 314      29.207  -4.608  13.669  1.00 80.69           C  
+ATOM   2504  C   LYS A 314      29.437  -5.471  14.907  1.00 80.69           C  
+ATOM   2505  CB  LYS A 314      30.545  -4.259  13.017  1.00 80.69           C  
+ATOM   2506  O   LYS A 314      29.583  -6.690  14.802  1.00 80.69           O  
+ATOM   2507  CG  LYS A 314      30.424  -3.752  11.588  1.00 80.69           C  
+ATOM   2508  CD  LYS A 314      31.792  -3.531  10.955  1.00 80.69           C  
+ATOM   2509  CE  LYS A 314      31.673  -2.976   9.542  1.00 80.69           C  
+ATOM   2510  NZ  LYS A 314      33.011  -2.792   8.904  1.00 80.69           N  
+ATOM   2511  N   ASP A 315      29.319  -4.863  16.021  1.00 80.15           N  
+ATOM   2512  CA  ASP A 315      29.628  -5.560  17.266  1.00 80.15           C  
+ATOM   2513  C   ASP A 315      28.423  -6.353  17.765  1.00 80.15           C  
+ATOM   2514  CB  ASP A 315      30.086  -4.568  18.337  1.00 80.15           C  
+ATOM   2515  O   ASP A 315      28.580  -7.381  18.427  1.00 80.15           O  
+ATOM   2516  CG  ASP A 315      29.123  -3.408  18.521  1.00 80.15           C  
+ATOM   2517  OD1 ASP A 315      28.606  -2.879  17.514  1.00 80.15           O  
+ATOM   2518  OD2 ASP A 315      28.881  -3.018  19.684  1.00 80.15           O  
+ATOM   2519  N   THR A 316      27.291  -5.941  17.368  1.00 80.45           N  
+ATOM   2520  CA  THR A 316      26.097  -6.553  17.940  1.00 80.45           C  
+ATOM   2521  C   THR A 316      25.281  -7.257  16.860  1.00 80.45           C  
+ATOM   2522  CB  THR A 316      25.218  -5.506  18.650  1.00 80.45           C  
+ATOM   2523  O   THR A 316      24.536  -8.196  17.150  1.00 80.45           O  
+ATOM   2524  CG2 THR A 316      25.923  -4.939  19.878  1.00 80.45           C  
+ATOM   2525  OG1 THR A 316      24.930  -4.436  17.741  1.00 80.45           O  
+ATOM   2526  N   LYS A 317      25.528  -6.833  15.626  1.00 81.61           N  
+ATOM   2527  CA  LYS A 317      24.689  -7.340  14.544  1.00 81.61           C  
+ATOM   2528  C   LYS A 317      25.537  -7.819  13.369  1.00 81.61           C  
+ATOM   2529  CB  LYS A 317      23.707  -6.264  14.077  1.00 81.61           C  
+ATOM   2530  O   LYS A 317      26.232  -7.024  12.733  1.00 81.61           O  
+ATOM   2531  CG  LYS A 317      22.629  -6.777  13.133  1.00 81.61           C  
+ATOM   2532  CD  LYS A 317      21.589  -5.705  12.837  1.00 81.61           C  
+ATOM   2533  CE  LYS A 317      20.488  -6.230  11.925  1.00 81.61           C  
+ATOM   2534  NZ  LYS A 317      19.440  -5.197  11.671  1.00 81.61           N  
+ATOM   2535  N   GLU A 318      25.455  -9.057  13.155  1.00 84.35           N  
+ATOM   2536  CA  GLU A 318      26.210  -9.652  12.056  1.00 84.35           C  
+ATOM   2537  C   GLU A 318      25.356  -9.761  10.796  1.00 84.35           C  
+ATOM   2538  CB  GLU A 318      26.742 -11.031  12.453  1.00 84.35           C  
+ATOM   2539  O   GLU A 318      24.194 -10.166  10.861  1.00 84.35           O  
+ATOM   2540  CG  GLU A 318      27.696 -11.639  11.436  1.00 84.35           C  
+ATOM   2541  CD  GLU A 318      28.290 -12.964  11.886  1.00 84.35           C  
+ATOM   2542  OE1 GLU A 318      29.166 -13.509  11.177  1.00 84.35           O  
+ATOM   2543  OE2 GLU A 318      27.876 -13.461  12.957  1.00 84.35           O  
+ATOM   2544  N   ILE A 319      25.901  -9.307   9.696  1.00 91.60           N  
+ATOM   2545  CA  ILE A 319      25.257  -9.432   8.393  1.00 91.60           C  
+ATOM   2546  C   ILE A 319      25.762 -10.687   7.685  1.00 91.60           C  
+ATOM   2547  CB  ILE A 319      25.508  -8.184   7.516  1.00 91.60           C  
+ATOM   2548  O   ILE A 319      26.969 -10.860   7.502  1.00 91.60           O  
+ATOM   2549  CG1 ILE A 319      24.925  -6.935   8.186  1.00 91.60           C  
+ATOM   2550  CG2 ILE A 319      24.920  -8.381   6.116  1.00 91.60           C  
+ATOM   2551  CD1 ILE A 319      25.250  -5.636   7.462  1.00 91.60           C  
+ATOM   2552  N   TYR A 320      24.810 -11.557   7.345  1.00 92.78           N  
+ATOM   2553  CA  TYR A 320      25.153 -12.782   6.631  1.00 92.78           C  
+ATOM   2554  C   TYR A 320      25.061 -12.578   5.123  1.00 92.78           C  
+ATOM   2555  CB  TYR A 320      24.235 -13.930   7.060  1.00 92.78           C  
+ATOM   2556  O   TYR A 320      23.974 -12.347   4.587  1.00 92.78           O  
+ATOM   2557  CG  TYR A 320      24.271 -14.214   8.542  1.00 92.78           C  
+ATOM   2558  CD1 TYR A 320      25.198 -15.105   9.077  1.00 92.78           C  
+ATOM   2559  CD2 TYR A 320      23.377 -13.595   9.409  1.00 92.78           C  
+ATOM   2560  CE1 TYR A 320      25.234 -15.372  10.442  1.00 92.78           C  
+ATOM   2561  CE2 TYR A 320      23.403 -13.854  10.775  1.00 92.78           C  
+ATOM   2562  OH  TYR A 320      24.365 -15.003  12.633  1.00 92.78           O  
+ATOM   2563  CZ  TYR A 320      24.334 -14.742  11.282  1.00 92.78           C  
+ATOM   2564  N   THR A 321      26.194 -12.726   4.484  1.00 95.48           N  
+ATOM   2565  CA  THR A 321      26.271 -12.393   3.065  1.00 95.48           C  
+ATOM   2566  C   THR A 321      26.443 -13.653   2.222  1.00 95.48           C  
+ATOM   2567  CB  THR A 321      27.431 -11.421   2.782  1.00 95.48           C  
+ATOM   2568  O   THR A 321      27.252 -14.523   2.554  1.00 95.48           O  
+ATOM   2569  CG2 THR A 321      27.446 -10.994   1.318  1.00 95.48           C  
+ATOM   2570  OG1 THR A 321      27.283 -10.257   3.606  1.00 95.48           O  
+ATOM   2571  N   HIS A 322      25.655 -13.728   1.126  1.00 96.40           N  
+ATOM   2572  CA  HIS A 322      25.723 -14.850   0.197  1.00 96.40           C  
+ATOM   2573  C   HIS A 322      25.677 -14.371  -1.250  1.00 96.40           C  
+ATOM   2574  CB  HIS A 322      24.582 -15.834   0.461  1.00 96.40           C  
+ATOM   2575  O   HIS A 322      24.945 -13.433  -1.575  1.00 96.40           O  
+ATOM   2576  CG  HIS A 322      24.638 -16.468   1.815  1.00 96.40           C  
+ATOM   2577  CD2 HIS A 322      24.065 -16.110   2.988  1.00 96.40           C  
+ATOM   2578  ND1 HIS A 322      25.356 -17.616   2.070  1.00 96.40           N  
+ATOM   2579  CE1 HIS A 322      25.221 -17.937   3.346  1.00 96.40           C  
+ATOM   2580  NE2 HIS A 322      24.443 -17.040   3.925  1.00 96.40           N  
+ATOM   2581  N   PHE A 323      26.474 -15.022  -2.046  1.00 96.79           N  
+ATOM   2582  CA  PHE A 323      26.373 -14.802  -3.484  1.00 96.79           C  
+ATOM   2583  C   PHE A 323      25.321 -15.718  -4.099  1.00 96.79           C  
+ATOM   2584  CB  PHE A 323      27.728 -15.030  -4.160  1.00 96.79           C  
+ATOM   2585  O   PHE A 323      25.360 -16.935  -3.905  1.00 96.79           O  
+ATOM   2586  CG  PHE A 323      28.780 -14.030  -3.764  1.00 96.79           C  
+ATOM   2587  CD1 PHE A 323      28.931 -12.843  -4.469  1.00 96.79           C  
+ATOM   2588  CD2 PHE A 323      29.619 -14.278  -2.685  1.00 96.79           C  
+ATOM   2589  CE1 PHE A 323      29.904 -11.915  -4.104  1.00 96.79           C  
+ATOM   2590  CE2 PHE A 323      30.594 -13.356  -2.314  1.00 96.79           C  
+ATOM   2591  CZ  PHE A 323      30.735 -12.176  -3.026  1.00 96.79           C  
+ATOM   2592  N   THR A 324      24.386 -15.035  -4.860  1.00 96.74           N  
+ATOM   2593  CA  THR A 324      23.258 -15.840  -5.317  1.00 96.74           C  
+ATOM   2594  C   THR A 324      23.024 -15.642  -6.812  1.00 96.74           C  
+ATOM   2595  CB  THR A 324      21.973 -15.492  -4.543  1.00 96.74           C  
+ATOM   2596  O   THR A 324      23.445 -14.635  -7.384  1.00 96.74           O  
+ATOM   2597  CG2 THR A 324      22.137 -15.768  -3.052  1.00 96.74           C  
+ATOM   2598  OG1 THR A 324      21.671 -14.103  -4.730  1.00 96.74           O  
+ATOM   2599  N   CYS A 325      22.541 -16.679  -7.424  1.00 96.16           N  
+ATOM   2600  CA  CYS A 325      21.900 -16.664  -8.733  1.00 96.16           C  
+ATOM   2601  C   CYS A 325      20.463 -17.164  -8.643  1.00 96.16           C  
+ATOM   2602  CB  CYS A 325      22.686 -17.520  -9.726  1.00 96.16           C  
+ATOM   2603  O   CYS A 325      20.226 -18.371  -8.568  1.00 96.16           O  
+ATOM   2604  SG  CYS A 325      22.008 -17.502 -11.400  1.00 96.16           S  
+ATOM   2605  N   ALA A 326      19.567 -16.186  -8.664  1.00 94.59           N  
+ATOM   2606  CA  ALA A 326      18.171 -16.471  -8.344  1.00 94.59           C  
+ATOM   2607  C   ALA A 326      17.548 -17.397  -9.385  1.00 94.59           C  
+ATOM   2608  CB  ALA A 326      17.372 -15.174  -8.245  1.00 94.59           C  
+ATOM   2609  O   ALA A 326      16.553 -18.072  -9.108  1.00 94.59           O  
+ATOM   2610  N   THR A 327      18.177 -17.488 -10.507  1.00 93.64           N  
+ATOM   2611  CA  THR A 327      17.634 -18.331 -11.566  1.00 93.64           C  
+ATOM   2612  C   THR A 327      18.217 -19.739 -11.489  1.00 93.64           C  
+ATOM   2613  CB  THR A 327      17.916 -17.732 -12.956  1.00 93.64           C  
+ATOM   2614  O   THR A 327      17.799 -20.631 -12.230  1.00 93.64           O  
+ATOM   2615  CG2 THR A 327      17.166 -16.418 -13.151  1.00 93.64           C  
+ATOM   2616  OG1 THR A 327      19.322 -17.491 -13.091  1.00 93.64           O  
+ATOM   2617  N   ASP A 328      19.217 -19.939 -10.629  1.00 95.97           N  
+ATOM   2618  CA  ASP A 328      19.820 -21.245 -10.379  1.00 95.97           C  
+ATOM   2619  C   ASP A 328      19.193 -21.914  -9.158  1.00 95.97           C  
+ATOM   2620  CB  ASP A 328      21.332 -21.110 -10.187  1.00 95.97           C  
+ATOM   2621  O   ASP A 328      19.510 -21.563  -8.020  1.00 95.97           O  
+ATOM   2622  CG  ASP A 328      22.041 -22.450 -10.107  1.00 95.97           C  
+ATOM   2623  OD1 ASP A 328      21.374 -23.480  -9.870  1.00 95.97           O  
+ATOM   2624  OD2 ASP A 328      23.279 -22.476 -10.281  1.00 95.97           O  
+ATOM   2625  N   THR A 329      18.358 -22.922  -9.392  1.00 94.71           N  
+ATOM   2626  CA  THR A 329      17.567 -23.555  -8.342  1.00 94.71           C  
+ATOM   2627  C   THR A 329      18.472 -24.212  -7.304  1.00 94.71           C  
+ATOM   2628  CB  THR A 329      16.604 -24.606  -8.926  1.00 94.71           C  
+ATOM   2629  O   THR A 329      18.213 -24.122  -6.102  1.00 94.71           O  
+ATOM   2630  CG2 THR A 329      15.721 -25.207  -7.837  1.00 94.71           C  
+ATOM   2631  OG1 THR A 329      15.770 -23.986  -9.913  1.00 94.71           O  
+ATOM   2632  N   LYS A 330      19.547 -24.793  -7.700  1.00 95.19           N  
+ATOM   2633  CA  LYS A 330      20.471 -25.463  -6.790  1.00 95.19           C  
+ATOM   2634  C   LYS A 330      21.159 -24.460  -5.868  1.00 95.19           C  
+ATOM   2635  CB  LYS A 330      21.517 -26.257  -7.574  1.00 95.19           C  
+ATOM   2636  O   LYS A 330      21.289 -24.701  -4.666  1.00 95.19           O  
+ATOM   2637  CG  LYS A 330      20.964 -27.493  -8.267  1.00 95.19           C  
+ATOM   2638  CD  LYS A 330      22.061 -28.269  -8.985  1.00 95.19           C  
+ATOM   2639  CE  LYS A 330      21.493 -29.444  -9.769  1.00 95.19           C  
+ATOM   2640  NZ  LYS A 330      22.556 -30.167 -10.531  1.00 95.19           N  
+ATOM   2641  N   ASN A 331      21.611 -23.374  -6.487  1.00 95.16           N  
+ATOM   2642  CA  ASN A 331      22.268 -22.320  -5.721  1.00 95.16           C  
+ATOM   2643  C   ASN A 331      21.336 -21.727  -4.669  1.00 95.16           C  
+ATOM   2644  CB  ASN A 331      22.784 -21.221  -6.653  1.00 95.16           C  
+ATOM   2645  O   ASN A 331      21.721 -21.571  -3.509  1.00 95.16           O  
+ATOM   2646  CG  ASN A 331      23.474 -20.098  -5.905  1.00 95.16           C  
+ATOM   2647  ND2 ASN A 331      24.725 -20.321  -5.522  1.00 95.16           N  
+ATOM   2648  OD1 ASN A 331      22.886 -19.038  -5.672  1.00 95.16           O  
+ATOM   2649  N   VAL A 332      20.065 -21.419  -5.057  1.00 94.51           N  
+ATOM   2650  CA  VAL A 332      19.102 -20.809  -4.146  1.00 94.51           C  
+ATOM   2651  C   VAL A 332      18.770 -21.782  -3.017  1.00 94.51           C  
+ATOM   2652  CB  VAL A 332      17.811 -20.389  -4.885  1.00 94.51           C  
+ATOM   2653  O   VAL A 332      18.654 -21.380  -1.857  1.00 94.51           O  
+ATOM   2654  CG1 VAL A 332      16.748 -19.924  -3.891  1.00 94.51           C  
+ATOM   2655  CG2 VAL A 332      18.112 -19.290  -5.903  1.00 94.51           C  
+ATOM   2656  N   GLN A 333      18.638 -23.051  -3.347  1.00 93.53           N  
+ATOM   2657  CA  GLN A 333      18.363 -24.062  -2.331  1.00 93.53           C  
+ATOM   2658  C   GLN A 333      19.488 -24.127  -1.302  1.00 93.53           C  
+ATOM   2659  CB  GLN A 333      18.163 -25.433  -2.978  1.00 93.53           C  
+ATOM   2660  O   GLN A 333      19.233 -24.154  -0.096  1.00 93.53           O  
+ATOM   2661  CG  GLN A 333      17.722 -26.515  -2.002  1.00 93.53           C  
+ATOM   2662  CD  GLN A 333      17.343 -27.811  -2.694  1.00 93.53           C  
+ATOM   2663  NE2 GLN A 333      16.745 -28.731  -1.944  1.00 93.53           N  
+ATOM   2664  OE1 GLN A 333      17.585 -27.984  -3.893  1.00 93.53           O  
+ATOM   2665  N   PHE A 334      20.710 -24.169  -1.764  1.00 93.66           N  
+ATOM   2666  CA  PHE A 334      21.881 -24.235  -0.897  1.00 93.66           C  
+ATOM   2667  C   PHE A 334      21.952 -23.012   0.010  1.00 93.66           C  
+ATOM   2668  CB  PHE A 334      23.162 -24.346  -1.730  1.00 93.66           C  
+ATOM   2669  O   PHE A 334      22.143 -23.142   1.221  1.00 93.66           O  
+ATOM   2670  CG  PHE A 334      24.422 -24.338  -0.908  1.00 93.66           C  
+ATOM   2671  CD1 PHE A 334      25.163 -23.172  -0.757  1.00 93.66           C  
+ATOM   2672  CD2 PHE A 334      24.867 -25.497  -0.285  1.00 93.66           C  
+ATOM   2673  CE1 PHE A 334      26.330 -23.161   0.003  1.00 93.66           C  
+ATOM   2674  CE2 PHE A 334      26.032 -25.494   0.476  1.00 93.66           C  
+ATOM   2675  CZ  PHE A 334      26.763 -24.325   0.618  1.00 93.66           C  
+ATOM   2676  N   VAL A 335      21.785 -21.838  -0.550  1.00 92.23           N  
+ATOM   2677  CA  VAL A 335      21.899 -20.587   0.192  1.00 92.23           C  
+ATOM   2678  C   VAL A 335      20.767 -20.487   1.212  1.00 92.23           C  
+ATOM   2679  CB  VAL A 335      21.877 -19.364  -0.751  1.00 92.23           C  
+ATOM   2680  O   VAL A 335      20.993 -20.108   2.364  1.00 92.23           O  
+ATOM   2681  CG1 VAL A 335      21.796 -18.066   0.050  1.00 92.23           C  
+ATOM   2682  CG2 VAL A 335      23.111 -19.363  -1.652  1.00 92.23           C  
+ATOM   2683  N   PHE A 336      19.581 -20.849   0.764  1.00 90.29           N  
+ATOM   2684  CA  PHE A 336      18.444 -20.729   1.668  1.00 90.29           C  
+ATOM   2685  C   PHE A 336      18.568 -21.711   2.827  1.00 90.29           C  
+ATOM   2686  CB  PHE A 336      17.130 -20.968   0.916  1.00 90.29           C  
+ATOM   2687  O   PHE A 336      18.168 -21.404   3.952  1.00 90.29           O  
+ATOM   2688  CG  PHE A 336      15.913 -20.475   1.650  1.00 90.29           C  
+ATOM   2689  CD1 PHE A 336      15.085 -21.363   2.327  1.00 90.29           C  
+ATOM   2690  CD2 PHE A 336      15.595 -19.123   1.662  1.00 90.29           C  
+ATOM   2691  CE1 PHE A 336      13.957 -20.909   3.007  1.00 90.29           C  
+ATOM   2692  CE2 PHE A 336      14.470 -18.662   2.339  1.00 90.29           C  
+ATOM   2693  CZ  PHE A 336      13.652 -19.557   3.010  1.00 90.29           C  
+ATOM   2694  N   ASP A 337      19.057 -22.907   2.598  1.00 90.94           N  
+ATOM   2695  CA  ASP A 337      19.327 -23.855   3.674  1.00 90.94           C  
+ATOM   2696  C   ASP A 337      20.279 -23.256   4.707  1.00 90.94           C  
+ATOM   2697  CB  ASP A 337      19.911 -25.153   3.112  1.00 90.94           C  
+ATOM   2698  O   ASP A 337      20.065 -23.400   5.913  1.00 90.94           O  
+ATOM   2699  CG  ASP A 337      18.876 -26.012   2.408  1.00 90.94           C  
+ATOM   2700  OD1 ASP A 337      17.665 -25.725   2.522  1.00 90.94           O  
+ATOM   2701  OD2 ASP A 337      19.274 -26.988   1.735  1.00 90.94           O  
+ATOM   2702  N   ALA A 338      21.291 -22.571   4.273  1.00 89.30           N  
+ATOM   2703  CA  ALA A 338      22.265 -21.924   5.149  1.00 89.30           C  
+ATOM   2704  C   ALA A 338      21.623 -20.787   5.938  1.00 89.30           C  
+ATOM   2705  CB  ALA A 338      23.447 -21.402   4.336  1.00 89.30           C  
+ATOM   2706  O   ALA A 338      21.872 -20.637   7.137  1.00 89.30           O  
+ATOM   2707  N   VAL A 339      20.742 -20.023   5.256  1.00 87.89           N  
+ATOM   2708  CA  VAL A 339      20.061 -18.887   5.868  1.00 87.89           C  
+ATOM   2709  C   VAL A 339      19.130 -19.377   6.975  1.00 87.89           C  
+ATOM   2710  CB  VAL A 339      19.264 -18.072   4.824  1.00 87.89           C  
+ATOM   2711  O   VAL A 339      19.078 -18.788   8.057  1.00 87.89           O  
+ATOM   2712  CG1 VAL A 339      18.346 -17.064   5.511  1.00 87.89           C  
+ATOM   2713  CG2 VAL A 339      20.216 -17.364   3.861  1.00 87.89           C  
+ATOM   2714  N   THR A 340      18.443 -20.451   6.682  1.00 87.44           N  
+ATOM   2715  CA  THR A 340      17.501 -21.009   7.647  1.00 87.44           C  
+ATOM   2716  C   THR A 340      18.228 -21.476   8.905  1.00 87.44           C  
+ATOM   2717  CB  THR A 340      16.711 -22.184   7.041  1.00 87.44           C  
+ATOM   2718  O   THR A 340      17.731 -21.297  10.018  1.00 87.44           O  
+ATOM   2719  CG2 THR A 340      15.677 -22.717   8.027  1.00 87.44           C  
+ATOM   2720  OG1 THR A 340      16.041 -21.741   5.855  1.00 87.44           O  
+ATOM   2721  N   ASP A 341      19.349 -22.018   8.767  1.00 85.92           N  
+ATOM   2722  CA  ASP A 341      20.148 -22.457   9.907  1.00 85.92           C  
+ATOM   2723  C   ASP A 341      20.533 -21.277  10.796  1.00 85.92           C  
+ATOM   2724  CB  ASP A 341      21.405 -23.189   9.431  1.00 85.92           C  
+ATOM   2725  O   ASP A 341      20.498 -21.380  12.023  1.00 85.92           O  
+ATOM   2726  CG  ASP A 341      21.117 -24.589   8.918  1.00 85.92           C  
+ATOM   2727  OD1 ASP A 341      20.009 -25.114   9.165  1.00 85.92           O  
+ATOM   2728  OD2 ASP A 341      22.007 -25.175   8.264  1.00 85.92           O  
+ATOM   2729  N   VAL A 342      20.788 -20.175  10.179  1.00 82.58           N  
+ATOM   2730  CA  VAL A 342      21.160 -18.961  10.899  1.00 82.58           C  
+ATOM   2731  C   VAL A 342      19.948 -18.414  11.650  1.00 82.58           C  
+ATOM   2732  CB  VAL A 342      21.725 -17.885   9.944  1.00 82.58           C  
+ATOM   2733  O   VAL A 342      20.057 -18.019  12.813  1.00 82.58           O  
+ATOM   2734  CG1 VAL A 342      21.927 -16.562  10.681  1.00 82.58           C  
+ATOM   2735  CG2 VAL A 342      23.038 -18.361   9.323  1.00 82.58           C  
+ATOM   2736  N   ILE A 343      18.852 -18.426  10.951  1.00 83.30           N  
+ATOM   2737  CA  ILE A 343      17.622 -17.884  11.519  1.00 83.30           C  
+ATOM   2738  C   ILE A 343      17.196 -18.723  12.721  1.00 83.30           C  
+ATOM   2739  CB  ILE A 343      16.489 -17.835  10.470  1.00 83.30           C  
+ATOM   2740  O   ILE A 343      16.820 -18.180  13.763  1.00 83.30           O  
+ATOM   2741  CG1 ILE A 343      16.830 -16.833   9.361  1.00 83.30           C  
+ATOM   2742  CG2 ILE A 343      15.154 -17.485  11.134  1.00 83.30           C  
+ATOM   2743  CD1 ILE A 343      15.860 -16.854   8.188  1.00 83.30           C  
+ATOM   2744  N   ILE A 344      17.348 -19.983  12.575  1.00 80.67           N  
+ATOM   2745  CA  ILE A 344      16.960 -20.910  13.633  1.00 80.67           C  
+ATOM   2746  C   ILE A 344      17.890 -20.742  14.833  1.00 80.67           C  
+ATOM   2747  CB  ILE A 344      16.983 -22.373  13.138  1.00 80.67           C  
+ATOM   2748  O   ILE A 344      17.436 -20.716  15.979  1.00 80.67           O  
+ATOM   2749  CG1 ILE A 344      15.882 -22.602  12.097  1.00 80.67           C  
+ATOM   2750  CG2 ILE A 344      16.835 -23.343  14.314  1.00 80.67           C  
+ATOM   2751  CD1 ILE A 344      15.911 -23.984  11.458  1.00 80.67           C  
+ATOM   2752  N   LYS A 345      19.103 -20.619  14.584  1.00 78.45           N  
+ATOM   2753  CA  LYS A 345      20.089 -20.447  15.646  1.00 78.45           C  
+ATOM   2754  C   LYS A 345      19.821 -19.174  16.444  1.00 78.45           C  
+ATOM   2755  CB  LYS A 345      21.504 -20.413  15.066  1.00 78.45           C  
+ATOM   2756  O   LYS A 345      19.887 -19.181  17.675  1.00 78.45           O  
+ATOM   2757  CG  LYS A 345      22.605 -20.451  16.115  1.00 78.45           C  
+ATOM   2758  CD  LYS A 345      23.987 -20.447  15.476  1.00 78.45           C  
+ATOM   2759  CE  LYS A 345      25.089 -20.363  16.523  1.00 78.45           C  
+ATOM   2760  NZ  LYS A 345      26.447 -20.371  15.901  1.00 78.45           N  
+ATOM   2761  N   ASN A 346      19.410 -18.117  15.784  1.00 72.63           N  
+ATOM   2762  CA  ASN A 346      19.181 -16.838  16.447  1.00 72.63           C  
+ATOM   2763  C   ASN A 346      17.855 -16.827  17.202  1.00 72.63           C  
+ATOM   2764  CB  ASN A 346      19.224 -15.693  15.434  1.00 72.63           C  
+ATOM   2765  O   ASN A 346      17.739 -16.193  18.252  1.00 72.63           O  
+ATOM   2766  CG  ASN A 346      20.638 -15.320  15.033  1.00 72.63           C  
+ATOM   2767  ND2 ASN A 346      20.772 -14.618  13.914  1.00 72.63           N  
+ATOM   2768  OD1 ASN A 346      21.602 -15.661  15.723  1.00 72.63           O  
+ATOM   2769  N   ASN A 347      16.880 -17.526  16.578  1.00 68.17           N  
+ATOM   2770  CA  ASN A 347      15.569 -17.575  17.218  1.00 68.17           C  
+ATOM   2771  C   ASN A 347      15.581 -18.472  18.452  1.00 68.17           C  
+ATOM   2772  CB  ASN A 347      14.505 -18.049  16.226  1.00 68.17           C  
+ATOM   2773  O   ASN A 347      14.880 -18.201  19.429  1.00 68.17           O  
+ATOM   2774  CG  ASN A 347      13.795 -16.900  15.537  1.00 68.17           C  
+ATOM   2775  ND2 ASN A 347      13.456 -17.088  14.268  1.00 68.17           N  
+ATOM   2776  OD1 ASN A 347      13.555 -15.851  16.141  1.00 68.17           O  
+ATOM   2777  N   LEU A 348      16.301 -19.529  18.456  1.00 61.58           N  
+ATOM   2778  CA  LEU A 348      16.440 -20.410  19.611  1.00 61.58           C  
+ATOM   2779  C   LEU A 348      17.189 -19.711  20.740  1.00 61.58           C  
+ATOM   2780  CB  LEU A 348      17.169 -21.697  19.218  1.00 61.58           C  
+ATOM   2781  O   LEU A 348      16.912 -19.953  21.917  1.00 61.58           O  
+ATOM   2782  CG  LEU A 348      16.369 -22.704  18.391  1.00 61.58           C  
+ATOM   2783  CD1 LEU A 348      17.291 -23.786  17.837  1.00 61.58           C  
+ATOM   2784  CD2 LEU A 348      15.256 -23.322  19.230  1.00 61.58           C  
+ATOM   2785  N   LYS A 349      18.073 -18.826  20.425  1.00 55.99           N  
+ATOM   2786  CA  LYS A 349      18.752 -18.068  21.472  1.00 55.99           C  
+ATOM   2787  C   LYS A 349      17.772 -17.174  22.227  1.00 55.99           C  
+ATOM   2788  CB  LYS A 349      19.880 -17.223  20.878  1.00 55.99           C  
+ATOM   2789  O   LYS A 349      17.866 -17.035  23.448  1.00 55.99           O  
+ATOM   2790  CG  LYS A 349      21.169 -17.995  20.637  1.00 55.99           C  
+ATOM   2791  CD  LYS A 349      22.298 -17.072  20.194  1.00 55.99           C  
+ATOM   2792  CE  LYS A 349      23.560 -17.854  19.855  1.00 55.99           C  
+ATOM   2793  NZ  LYS A 349      24.664 -16.955  19.405  1.00 55.99           N  
+ATOM   2794  N   ASP A 350      16.734 -16.682  21.544  1.00 51.68           N  
+ATOM   2795  CA  ASP A 350      15.751 -15.787  22.148  1.00 51.68           C  
+ATOM   2796  C   ASP A 350      14.757 -16.564  23.009  1.00 51.68           C  
+ATOM   2797  CB  ASP A 350      15.008 -14.998  21.068  1.00 51.68           C  
+ATOM   2798  O   ASP A 350      14.236 -16.037  23.994  1.00 51.68           O  
+ATOM   2799  CG  ASP A 350      15.823 -13.846  20.508  1.00 51.68           C  
+ATOM   2800  OD1 ASP A 350      16.834 -13.455  21.131  1.00 51.68           O  
+ATOM   2801  OD2 ASP A 350      15.450 -13.322  19.436  1.00 51.68           O  
+ATOM   2802  N   CYS A 351      14.560 -17.826  22.736  1.00 48.79           N  
+ATOM   2803  CA  CYS A 351      13.634 -18.657  23.497  1.00 48.79           C  
+ATOM   2804  C   CYS A 351      14.335 -19.310  24.682  1.00 48.79           C  
+ATOM   2805  CB  CYS A 351      13.018 -19.732  22.602  1.00 48.79           C  
+ATOM   2806  O   CYS A 351      13.696 -19.977  25.497  1.00 48.79           O  
+ATOM   2807  SG  CYS A 351      11.905 -19.077  21.339  1.00 48.79           S  
+ATOM   2808  N   GLY A 352      15.578 -18.961  25.068  1.00 37.57           N  
+ATOM   2809  CA  GLY A 352      16.252 -19.497  26.240  1.00 37.57           C  
+ATOM   2810  C   GLY A 352      16.639 -20.957  26.089  1.00 37.57           C  
+ATOM   2811  O   GLY A 352      16.878 -21.647  27.082  1.00 37.57           O  
+ATOM   2812  N   LEU A 353      16.605 -21.526  24.924  1.00 39.63           N  
+ATOM   2813  CA  LEU A 353      17.003 -22.920  24.764  1.00 39.63           C  
+ATOM   2814  C   LEU A 353      18.470 -23.024  24.362  1.00 39.63           C  
+ATOM   2815  CB  LEU A 353      16.124 -23.611  23.718  1.00 39.63           C  
+ATOM   2816  O   LEU A 353      19.039 -24.118  24.351  1.00 39.63           O  
+ATOM   2817  CG  LEU A 353      14.704 -23.971  24.156  1.00 39.63           C  
+ATOM   2818  CD1 LEU A 353      13.805 -24.158  22.939  1.00 39.63           C  
+ATOM   2819  CD2 LEU A 353      14.713 -25.229  25.019  1.00 39.63           C  
+ATOM   2820  N   PHE A 354      19.301 -21.902  24.510  1.00 36.64           N  
+ATOM   2821  CA  PHE A 354      20.757 -21.877  24.570  1.00 36.64           C  
+ATOM   2822  C   PHE A 354      21.239 -20.861  25.599  1.00 36.64           C  
+ATOM   2823  CB  PHE A 354      21.348 -21.551  23.194  1.00 36.64           C  
+ATOM   2824  O   PHE A 354      22.234 -21.093  26.290  1.00 36.64           O  
+ATOM   2825  CG  PHE A 354      21.471 -22.747  22.289  1.00 36.64           C  
+ATOM   2826  CD1 PHE A 354      22.582 -23.579  22.360  1.00 36.64           C  
+ATOM   2827  CD2 PHE A 354      20.476 -23.039  21.365  1.00 36.64           C  
+ATOM   2828  CE1 PHE A 354      22.699 -24.686  21.523  1.00 36.64           C  
+ATOM   2829  CE2 PHE A 354      20.586 -24.144  20.526  1.00 36.64           C  
+ATOM   2830  CZ  PHE A 354      21.698 -24.965  20.606  1.00 36.64           C  
+ATOM   2831  N   MET B 555       7.028  28.662 -28.869  1.00 58.74           N  
+ATOM   2832  CA  MET B 555       6.528  28.185 -27.582  1.00 58.74           C  
+ATOM   2833  C   MET B 555       5.631  26.965 -27.766  1.00 58.74           C  
+ATOM   2834  CB  MET B 555       5.763  29.293 -26.857  1.00 58.74           C  
+ATOM   2835  O   MET B 555       4.751  26.960 -28.628  1.00 58.74           O  
+ATOM   2836  CG  MET B 555       6.061  29.372 -25.369  1.00 58.74           C  
+ATOM   2837  SD  MET B 555       5.107  30.695 -24.529  1.00 58.74           S  
+ATOM   2838  CE  MET B 555       6.212  32.108 -24.802  1.00 58.74           C  
+ATOM   2839  N   SER B 556       6.086  25.777 -27.595  1.00 75.09           N  
+ATOM   2840  CA  SER B 556       5.398  24.499 -27.746  1.00 75.09           C  
+ATOM   2841  C   SER B 556       3.963  24.580 -27.236  1.00 75.09           C  
+ATOM   2842  CB  SER B 556       6.150  23.394 -27.003  1.00 75.09           C  
+ATOM   2843  O   SER B 556       3.637  25.443 -26.418  1.00 75.09           O  
+ATOM   2844  OG  SER B 556       5.852  23.426 -25.618  1.00 75.09           O  
+ATOM   2845  N   GLU B 557       2.912  24.512 -27.983  1.00 84.32           N  
+ATOM   2846  CA  GLU B 557       1.509  24.310 -27.638  1.00 84.32           C  
+ATOM   2847  C   GLU B 557       1.351  23.925 -26.169  1.00 84.32           C  
+ATOM   2848  CB  GLU B 557       0.884  23.236 -28.532  1.00 84.32           C  
+ATOM   2849  O   GLU B 557       0.441  24.405 -25.491  1.00 84.32           O  
+ATOM   2850  CG  GLU B 557      -0.635  23.297 -28.597  1.00 84.32           C  
+ATOM   2851  CD  GLU B 557      -1.235  22.301 -29.577  1.00 84.32           C  
+ATOM   2852  OE1 GLU B 557      -2.480  22.223 -29.677  1.00 84.32           O  
+ATOM   2853  OE2 GLU B 557      -0.453  21.593 -30.250  1.00 84.32           O  
+ATOM   2854  N   LEU B 558       2.238  23.216 -25.598  1.00 82.12           N  
+ATOM   2855  CA  LEU B 558       2.201  22.780 -24.206  1.00 82.12           C  
+ATOM   2856  C   LEU B 558       2.481  23.945 -23.264  1.00 82.12           C  
+ATOM   2857  CB  LEU B 558       3.217  21.660 -23.968  1.00 82.12           C  
+ATOM   2858  O   LEU B 558       1.838  24.074 -22.220  1.00 82.12           O  
+ATOM   2859  CG  LEU B 558       2.642  20.285 -23.624  1.00 82.12           C  
+ATOM   2860  CD1 LEU B 558       3.391  19.193 -24.381  1.00 82.12           C  
+ATOM   2861  CD2 LEU B 558       2.705  20.040 -22.120  1.00 82.12           C  
+ATOM   2862  N   ASP B 559       3.430  24.783 -23.611  1.00 84.71           N  
+ATOM   2863  CA  ASP B 559       3.763  25.941 -22.787  1.00 84.71           C  
+ATOM   2864  C   ASP B 559       2.605  26.935 -22.742  1.00 84.71           C  
+ATOM   2865  CB  ASP B 559       5.025  26.629 -23.312  1.00 84.71           C  
+ATOM   2866  O   ASP B 559       2.320  27.517 -21.693  1.00 84.71           O  
+ATOM   2867  CG  ASP B 559       6.297  25.871 -22.976  1.00 84.71           C  
+ATOM   2868  OD1 ASP B 559       6.288  25.052 -22.031  1.00 84.71           O  
+ATOM   2869  OD2 ASP B 559       7.319  26.096 -23.660  1.00 84.71           O  
+ATOM   2870  N   GLN B 560       1.938  27.111 -23.866  1.00 87.53           N  
+ATOM   2871  CA  GLN B 560       0.773  27.986 -23.939  1.00 87.53           C  
+ATOM   2872  C   GLN B 560      -0.362  27.465 -23.062  1.00 87.53           C  
+ATOM   2873  CB  GLN B 560       0.296  28.127 -25.386  1.00 87.53           C  
+ATOM   2874  O   GLN B 560      -1.009  28.237 -22.352  1.00 87.53           O  
+ATOM   2875  CG  GLN B 560      -0.610  29.328 -25.620  1.00 87.53           C  
+ATOM   2876  CD  GLN B 560      -0.968  29.516 -27.082  1.00 87.53           C  
+ATOM   2877  NE2 GLN B 560      -1.589  30.647 -27.400  1.00 87.53           N  
+ATOM   2878  OE1 GLN B 560      -0.689  28.653 -27.920  1.00 87.53           O  
+ATOM   2879  N   LEU B 561      -0.607  26.196 -23.125  1.00 88.22           N  
+ATOM   2880  CA  LEU B 561      -1.662  25.587 -22.322  1.00 88.22           C  
+ATOM   2881  C   LEU B 561      -1.349  25.703 -20.834  1.00 88.22           C  
+ATOM   2882  CB  LEU B 561      -1.845  24.116 -22.704  1.00 88.22           C  
+ATOM   2883  O   LEU B 561      -2.247  25.943 -20.024  1.00 88.22           O  
+ATOM   2884  CG  LEU B 561      -2.544  23.843 -24.037  1.00 88.22           C  
+ATOM   2885  CD1 LEU B 561      -2.481  22.357 -24.374  1.00 88.22           C  
+ATOM   2886  CD2 LEU B 561      -3.991  24.324 -23.990  1.00 88.22           C  
+ATOM   2887  N   ARG B 562      -0.055  25.579 -20.486  1.00 83.86           N  
+ATOM   2888  CA  ARG B 562       0.381  25.737 -19.102  1.00 83.86           C  
+ATOM   2889  C   ARG B 562       0.125  27.156 -18.606  1.00 83.86           C  
+ATOM   2890  CB  ARG B 562       1.865  25.393 -18.963  1.00 83.86           C  
+ATOM   2891  O   ARG B 562      -0.341  27.352 -17.481  1.00 83.86           O  
+ATOM   2892  CG  ARG B 562       2.138  23.909 -18.770  1.00 83.86           C  
+ATOM   2893  CD  ARG B 562       3.621  23.630 -18.572  1.00 83.86           C  
+ATOM   2894  NE  ARG B 562       3.888  22.200 -18.446  1.00 83.86           N  
+ATOM   2895  NH1 ARG B 562       6.175  22.436 -18.223  1.00 83.86           N  
+ATOM   2896  NH2 ARG B 562       5.224  20.351 -18.180  1.00 83.86           N  
+ATOM   2897  CZ  ARG B 562       5.095  21.666 -18.283  1.00 83.86           C  
+ATOM   2898  N   GLN B 563       0.441  28.099 -19.407  1.00 87.97           N  
+ATOM   2899  CA  GLN B 563       0.232  29.496 -19.044  1.00 87.97           C  
+ATOM   2900  C   GLN B 563      -1.253  29.809 -18.893  1.00 87.97           C  
+ATOM   2901  CB  GLN B 563       0.860  30.422 -20.087  1.00 87.97           C  
+ATOM   2902  O   GLN B 563      -1.654  30.510 -17.961  1.00 87.97           O  
+ATOM   2903  CG  GLN B 563       2.342  30.691 -19.858  1.00 87.97           C  
+ATOM   2904  CD  GLN B 563       2.944  31.598 -20.916  1.00 87.97           C  
+ATOM   2905  NE2 GLN B 563       4.265  31.732 -20.899  1.00 87.97           N  
+ATOM   2906  OE1 GLN B 563       2.227  32.172 -21.741  1.00 87.97           O  
+ATOM   2907  N   GLU B 564      -2.011  29.340 -19.846  1.00 90.83           N  
+ATOM   2908  CA  GLU B 564      -3.457  29.536 -19.779  1.00 90.83           C  
+ATOM   2909  C   GLU B 564      -4.040  28.910 -18.515  1.00 90.83           C  
+ATOM   2910  CB  GLU B 564      -4.137  28.950 -21.018  1.00 90.83           C  
+ATOM   2911  O   GLU B 564      -4.897  29.506 -17.860  1.00 90.83           O  
+ATOM   2912  CG  GLU B 564      -4.218  29.917 -22.190  1.00 90.83           C  
+ATOM   2913  CD  GLU B 564      -4.900  29.322 -23.413  1.00 90.83           C  
+ATOM   2914  OE1 GLU B 564      -4.977  30.006 -24.458  1.00 90.83           O  
+ATOM   2915  OE2 GLU B 564      -5.362  28.162 -23.324  1.00 90.83           O  
+ATOM   2916  N   ALA B 565      -3.639  27.723 -18.219  1.00 84.96           N  
+ATOM   2917  CA  ALA B 565      -4.094  27.026 -17.018  1.00 84.96           C  
+ATOM   2918  C   ALA B 565      -3.742  27.814 -15.760  1.00 84.96           C  
+ATOM   2919  CB  ALA B 565      -3.487  25.626 -16.953  1.00 84.96           C  
+ATOM   2920  O   ALA B 565      -4.564  27.943 -14.850  1.00 84.96           O  
+ATOM   2921  N   GLU B 566      -2.518  28.365 -15.724  1.00 86.43           N  
+ATOM   2922  CA  GLU B 566      -2.072  29.172 -14.592  1.00 86.43           C  
+ATOM   2923  C   GLU B 566      -2.913  30.437 -14.451  1.00 86.43           C  
+ATOM   2924  CB  GLU B 566      -0.593  29.537 -14.742  1.00 86.43           C  
+ATOM   2925  O   GLU B 566      -3.258  30.839 -13.338  1.00 86.43           O  
+ATOM   2926  CG  GLU B 566       0.043  30.065 -13.464  1.00 86.43           C  
+ATOM   2927  CD  GLU B 566       0.100  29.031 -12.351  1.00 86.43           C  
+ATOM   2928  OE1 GLU B 566       0.316  29.413 -11.178  1.00 86.43           O  
+ATOM   2929  OE2 GLU B 566      -0.072  27.829 -12.654  1.00 86.43           O  
+ATOM   2930  N   GLN B 567      -3.195  31.081 -15.561  1.00 91.15           N  
+ATOM   2931  CA  GLN B 567      -4.038  32.272 -15.559  1.00 91.15           C  
+ATOM   2932  C   GLN B 567      -5.436  31.956 -15.035  1.00 91.15           C  
+ATOM   2933  CB  GLN B 567      -4.127  32.869 -16.965  1.00 91.15           C  
+ATOM   2934  O   GLN B 567      -5.997  32.722 -14.249  1.00 91.15           O  
+ATOM   2935  CG  GLN B 567      -4.753  34.257 -17.005  1.00 91.15           C  
+ATOM   2936  CD  GLN B 567      -4.788  34.845 -18.403  1.00 91.15           C  
+ATOM   2937  NE2 GLN B 567      -5.183  36.109 -18.504  1.00 91.15           N  
+ATOM   2938  OE1 GLN B 567      -4.460  34.169 -19.383  1.00 91.15           O  
+ATOM   2939  N   LEU B 568      -6.001  30.866 -15.483  1.00 89.83           N  
+ATOM   2940  CA  LEU B 568      -7.325  30.451 -15.032  1.00 89.83           C  
+ATOM   2941  C   LEU B 568      -7.324  30.165 -13.534  1.00 89.83           C  
+ATOM   2942  CB  LEU B 568      -7.789  29.211 -15.800  1.00 89.83           C  
+ATOM   2943  O   LEU B 568      -8.269  30.524 -12.828  1.00 89.83           O  
+ATOM   2944  CG  LEU B 568      -8.248  29.438 -17.241  1.00 89.83           C  
+ATOM   2945  CD1 LEU B 568      -8.432  28.103 -17.956  1.00 89.83           C  
+ATOM   2946  CD2 LEU B 568      -9.540  30.248 -17.269  1.00 89.83           C  
+ATOM   2947  N   LYS B 569      -6.273  29.534 -13.043  1.00 84.19           N  
+ATOM   2948  CA  LYS B 569      -6.135  29.257 -11.617  1.00 84.19           C  
+ATOM   2949  C   LYS B 569      -6.134  30.548 -10.803  1.00 84.19           C  
+ATOM   2950  CB  LYS B 569      -4.854  28.466 -11.345  1.00 84.19           C  
+ATOM   2951  O   LYS B 569      -6.778  30.628  -9.755  1.00 84.19           O  
+ATOM   2952  CG  LYS B 569      -4.964  26.982 -11.663  1.00 84.19           C  
+ATOM   2953  CD  LYS B 569      -3.684  26.237 -11.307  1.00 84.19           C  
+ATOM   2954  CE  LYS B 569      -3.774  24.762 -11.672  1.00 84.19           C  
+ATOM   2955  NZ  LYS B 569      -2.518  24.029 -11.330  1.00 84.19           N  
+ATOM   2956  N   ASN B 570      -5.388  31.551 -11.299  1.00 87.59           N  
+ATOM   2957  CA  ASN B 570      -5.326  32.842 -10.622  1.00 87.59           C  
+ATOM   2958  C   ASN B 570      -6.684  33.538 -10.615  1.00 87.59           C  
+ATOM   2959  CB  ASN B 570      -4.272  33.740 -11.274  1.00 87.59           C  
+ATOM   2960  O   ASN B 570      -7.061  34.163  -9.622  1.00 87.59           O  
+ATOM   2961  CG  ASN B 570      -2.856  33.324 -10.929  1.00 87.59           C  
+ATOM   2962  ND2 ASN B 570      -1.905  33.699 -11.777  1.00 87.59           N  
+ATOM   2963  OD1 ASN B 570      -2.619  32.672  -9.909  1.00 87.59           O  
+ATOM   2964  N   GLN B 571      -7.403  33.416 -11.720  1.00 89.59           N  
+ATOM   2965  CA  GLN B 571      -8.730  34.013 -11.822  1.00 89.59           C  
+ATOM   2966  C   GLN B 571      -9.694  33.388 -10.818  1.00 89.59           C  
+ATOM   2967  CB  GLN B 571      -9.279  33.862 -13.241  1.00 89.59           C  
+ATOM   2968  O   GLN B 571     -10.494  34.090 -10.197  1.00 89.59           O  
+ATOM   2969  CG  GLN B 571      -8.612  34.776 -14.260  1.00 89.59           C  
+ATOM   2970  CD  GLN B 571      -9.163  34.595 -15.662  1.00 89.59           C  
+ATOM   2971  NE2 GLN B 571      -8.597  35.320 -16.620  1.00 89.59           N  
+ATOM   2972  OE1 GLN B 571     -10.090  33.808 -15.882  1.00 89.59           O  
+ATOM   2973  N   ILE B 572      -9.616  32.105 -10.701  1.00 85.24           N  
+ATOM   2974  CA  ILE B 572     -10.466  31.386  -9.757  1.00 85.24           C  
+ATOM   2975  C   ILE B 572     -10.122  31.806  -8.330  1.00 85.24           C  
+ATOM   2976  CB  ILE B 572     -10.319  29.856  -9.916  1.00 85.24           C  
+ATOM   2977  O   ILE B 572     -11.016  32.051  -7.516  1.00 85.24           O  
+ATOM   2978  CG1 ILE B 572     -10.905  29.400 -11.257  1.00 85.24           C  
+ATOM   2979  CG2 ILE B 572     -10.989  29.126  -8.749  1.00 85.24           C  
+ATOM   2980  CD1 ILE B 572     -10.657  27.932 -11.573  1.00 85.24           C  
+ATOM   2981  N   ARG B 573      -8.819  31.911  -8.062  1.00 83.91           N  
+ATOM   2982  CA  ARG B 573      -8.367  32.358  -6.748  1.00 83.91           C  
+ATOM   2983  C   ARG B 573      -8.912  33.745  -6.424  1.00 83.91           C  
+ATOM   2984  CB  ARG B 573      -6.839  32.366  -6.679  1.00 83.91           C  
+ATOM   2985  O   ARG B 573      -9.383  33.988  -5.311  1.00 83.91           O  
+ATOM   2986  CG  ARG B 573      -6.286  32.626  -5.287  1.00 83.91           C  
+ATOM   2987  CD  ARG B 573      -4.765  32.684  -5.286  1.00 83.91           C  
+ATOM   2988  NE  ARG B 573      -4.177  31.425  -5.733  1.00 83.91           N  
+ATOM   2989  NH1 ARG B 573      -2.156  32.353  -6.360  1.00 83.91           N  
+ATOM   2990  NH2 ARG B 573      -2.516  30.103  -6.609  1.00 83.91           N  
+ATOM   2991  CZ  ARG B 573      -2.951  31.296  -6.233  1.00 83.91           C  
+ATOM   2992  N   ASP B 574      -8.826  34.647  -7.353  1.00 87.27           N  
+ATOM   2993  CA  ASP B 574      -9.302  36.014  -7.170  1.00 87.27           C  
+ATOM   2994  C   ASP B 574     -10.814  36.046  -6.962  1.00 87.27           C  
+ATOM   2995  CB  ASP B 574      -8.918  36.882  -8.371  1.00 87.27           C  
+ATOM   2996  O   ASP B 574     -11.316  36.799  -6.125  1.00 87.27           O  
+ATOM   2997  CG  ASP B 574      -7.431  37.182  -8.434  1.00 87.27           C  
+ATOM   2998  OD1 ASP B 574      -6.732  37.019  -7.411  1.00 87.27           O  
+ATOM   2999  OD2 ASP B 574      -6.954  37.588  -9.516  1.00 87.27           O  
+ATOM   3000  N   ALA B 575     -11.520  35.233  -7.730  1.00 87.05           N  
+ATOM   3001  CA  ALA B 575     -12.972  35.153  -7.594  1.00 87.05           C  
+ATOM   3002  C   ALA B 575     -13.366  34.632  -6.215  1.00 87.05           C  
+ATOM   3003  CB  ALA B 575     -13.559  34.260  -8.684  1.00 87.05           C  
+ATOM   3004  O   ALA B 575     -14.323  35.121  -5.610  1.00 87.05           O  
+ATOM   3005  N   ARG B 576     -12.601  33.655  -5.728  1.00 83.88           N  
+ATOM   3006  CA  ARG B 576     -12.861  33.107  -4.401  1.00 83.88           C  
+ATOM   3007  C   ARG B 576     -12.634  34.159  -3.320  1.00 83.88           C  
+ATOM   3008  CB  ARG B 576     -11.976  31.887  -4.139  1.00 83.88           C  
+ATOM   3009  O   ARG B 576     -13.425  34.273  -2.382  1.00 83.88           O  
+ATOM   3010  CG  ARG B 576     -12.421  30.633  -4.875  1.00 83.88           C  
+ATOM   3011  CD  ARG B 576     -11.492  29.459  -4.601  1.00 83.88           C  
+ATOM   3012  NE  ARG B 576     -11.977  28.231  -5.224  1.00 83.88           N  
+ATOM   3013  NH1 ARG B 576     -10.102  26.983  -4.710  1.00 83.88           N  
+ATOM   3014  NH2 ARG B 576     -11.841  26.027  -5.856  1.00 83.88           N  
+ATOM   3015  CZ  ARG B 576     -11.305  27.083  -5.262  1.00 83.88           C  
+ATOM   3016  N   LYS B 577     -11.567  34.931  -3.476  1.00 83.89           N  
+ATOM   3017  CA  LYS B 577     -11.235  35.981  -2.517  1.00 83.89           C  
+ATOM   3018  C   LYS B 577     -12.304  37.070  -2.502  1.00 83.89           C  
+ATOM   3019  CB  LYS B 577      -9.870  36.592  -2.841  1.00 83.89           C  
+ATOM   3020  O   LYS B 577     -12.643  37.599  -1.441  1.00 83.89           O  
+ATOM   3021  CG  LYS B 577      -8.690  35.748  -2.383  1.00 83.89           C  
+ATOM   3022  CD  LYS B 577      -7.367  36.467  -2.611  1.00 83.89           C  
+ATOM   3023  CE  LYS B 577      -6.180  35.580  -2.261  1.00 83.89           C  
+ATOM   3024  NZ  LYS B 577      -4.879  36.268  -2.518  1.00 83.89           N  
+ATOM   3025  N   ALA B 578     -12.833  37.334  -3.646  1.00 85.52           N  
+ATOM   3026  CA  ALA B 578     -13.833  38.389  -3.780  1.00 85.52           C  
+ATOM   3027  C   ALA B 578     -15.134  38.004  -3.081  1.00 85.52           C  
+ATOM   3028  CB  ALA B 578     -14.094  38.691  -5.254  1.00 85.52           C  
+ATOM   3029  O   ALA B 578     -15.864  38.871  -2.594  1.00 85.52           O  
+ATOM   3030  N   CYS B 579     -15.416  36.724  -2.973  1.00 82.70           N  
+ATOM   3031  CA  CYS B 579     -16.669  36.245  -2.400  1.00 82.70           C  
+ATOM   3032  C   CYS B 579     -16.506  35.934  -0.917  1.00 82.70           C  
+ATOM   3033  CB  CYS B 579     -17.156  35.001  -3.141  1.00 82.70           C  
+ATOM   3034  O   CYS B 579     -17.482  35.616  -0.234  1.00 82.70           O  
+ATOM   3035  SG  CYS B 579     -17.656  35.320  -4.848  1.00 82.70           S  
+ATOM   3036  N   ALA B 580     -15.218  35.992  -0.356  1.00 80.96           N  
+ATOM   3037  CA  ALA B 580     -14.926  35.715   1.048  1.00 80.96           C  
+ATOM   3038  C   ALA B 580     -15.277  36.911   1.928  1.00 80.96           C  
+ATOM   3039  CB  ALA B 580     -13.455  35.343   1.222  1.00 80.96           C  
+ATOM   3040  O   ALA B 580     -14.389  37.638   2.380  1.00 80.96           O  
+ATOM   3041  N   ASP B 581     -16.575  37.250   2.175  1.00 86.11           N  
+ATOM   3042  CA  ASP B 581     -17.055  38.467   2.824  1.00 86.11           C  
+ATOM   3043  C   ASP B 581     -16.929  38.366   4.342  1.00 86.11           C  
+ATOM   3044  CB  ASP B 581     -18.508  38.746   2.434  1.00 86.11           C  
+ATOM   3045  O   ASP B 581     -17.065  39.366   5.050  1.00 86.11           O  
+ATOM   3046  CG  ASP B 581     -19.432  37.574   2.713  1.00 86.11           C  
+ATOM   3047  OD1 ASP B 581     -18.938  36.460   2.988  1.00 86.11           O  
+ATOM   3048  OD2 ASP B 581     -20.666  37.767   2.654  1.00 86.11           O  
+ATOM   3049  N   ALA B 582     -16.696  37.223   4.952  1.00 88.48           N  
+ATOM   3050  CA  ALA B 582     -16.555  37.038   6.394  1.00 88.48           C  
+ATOM   3051  C   ALA B 582     -15.848  35.723   6.711  1.00 88.48           C  
+ATOM   3052  CB  ALA B 582     -17.922  37.081   7.072  1.00 88.48           C  
+ATOM   3053  O   ALA B 582     -15.815  34.813   5.879  1.00 88.48           O  
+ATOM   3054  N   THR B 583     -15.172  35.680   7.825  1.00 89.98           N  
+ATOM   3055  CA  THR B 583     -14.552  34.446   8.295  1.00 89.98           C  
+ATOM   3056  C   THR B 583     -15.429  33.765   9.342  1.00 89.98           C  
+ATOM   3057  CB  THR B 583     -13.156  34.713   8.886  1.00 89.98           C  
+ATOM   3058  O   THR B 583     -16.309  34.398   9.929  1.00 89.98           O  
+ATOM   3059  CG2 THR B 583     -12.289  35.506   7.914  1.00 89.98           C  
+ATOM   3060  OG1 THR B 583     -13.292  35.457  10.103  1.00 89.98           O  
+ATOM   3061  N   LEU B 584     -15.345  32.477   9.438  1.00 92.64           N  
+ATOM   3062  CA  LEU B 584     -16.080  31.731  10.453  1.00 92.64           C  
+ATOM   3063  C   LEU B 584     -15.831  32.312  11.841  1.00 92.64           C  
+ATOM   3064  CB  LEU B 584     -15.682  30.253  10.427  1.00 92.64           C  
+ATOM   3065  O   LEU B 584     -16.754  32.408  12.653  1.00 92.64           O  
+ATOM   3066  CG  LEU B 584     -16.447  29.327  11.375  1.00 92.64           C  
+ATOM   3067  CD1 LEU B 584     -17.943  29.394  11.088  1.00 92.64           C  
+ATOM   3068  CD2 LEU B 584     -15.936  27.896  11.252  1.00 92.64           C  
+ATOM   3069  N   SER B 585     -14.631  32.779  12.127  1.00 92.43           N  
+ATOM   3070  CA  SER B 585     -14.282  33.384  13.408  1.00 92.43           C  
+ATOM   3071  C   SER B 585     -15.085  34.657  13.655  1.00 92.43           C  
+ATOM   3072  CB  SER B 585     -12.786  33.697  13.464  1.00 92.43           C  
+ATOM   3073  O   SER B 585     -15.559  34.892  14.769  1.00 92.43           O  
+ATOM   3074  OG  SER B 585     -12.440  34.283  14.707  1.00 92.43           O  
+ATOM   3075  N   GLN B 586     -15.273  35.448  12.633  1.00 93.46           N  
+ATOM   3076  CA  GLN B 586     -16.031  36.691  12.726  1.00 93.46           C  
+ATOM   3077  C   GLN B 586     -17.510  36.417  12.980  1.00 93.46           C  
+ATOM   3078  CB  GLN B 586     -15.862  37.521  11.452  1.00 93.46           C  
+ATOM   3079  O   GLN B 586     -18.136  37.079  13.811  1.00 93.46           O  
+ATOM   3080  CG  GLN B 586     -14.485  38.154  11.308  1.00 93.46           C  
+ATOM   3081  CD  GLN B 586     -14.266  38.780   9.944  1.00 93.46           C  
+ATOM   3082  NE2 GLN B 586     -13.359  39.748   9.874  1.00 93.46           N  
+ATOM   3083  OE1 GLN B 586     -14.907  38.396   8.960  1.00 93.46           O  
+ATOM   3084  N   ILE B 587     -18.001  35.407  12.331  1.00 92.85           N  
+ATOM   3085  CA  ILE B 587     -19.429  35.113  12.379  1.00 92.85           C  
+ATOM   3086  C   ILE B 587     -19.779  34.469  13.719  1.00 92.85           C  
+ATOM   3087  CB  ILE B 587     -19.855  34.191  11.214  1.00 92.85           C  
+ATOM   3088  O   ILE B 587     -20.886  34.650  14.230  1.00 92.85           O  
+ATOM   3089  CG1 ILE B 587     -19.674  34.909   9.872  1.00 92.85           C  
+ATOM   3090  CG2 ILE B 587     -21.303  33.726  11.396  1.00 92.85           C  
+ATOM   3091  CD1 ILE B 587     -19.912  34.021   8.658  1.00 92.85           C  
+ATOM   3092  N   THR B 588     -18.828  33.790  14.295  1.00 94.83           N  
+ATOM   3093  CA  THR B 588     -19.116  33.043  15.514  1.00 94.83           C  
+ATOM   3094  C   THR B 588     -18.550  33.763  16.735  1.00 94.83           C  
+ATOM   3095  CB  THR B 588     -18.541  31.616  15.444  1.00 94.83           C  
+ATOM   3096  O   THR B 588     -18.423  33.169  17.808  1.00 94.83           O  
+ATOM   3097  CG2 THR B 588     -19.185  30.819  14.314  1.00 94.83           C  
+ATOM   3098  OG1 THR B 588     -17.128  31.687  15.219  1.00 94.83           O  
+ATOM   3099  N   ASN B 589     -18.221  35.038  16.589  1.00 94.54           N  
+ATOM   3100  CA  ASN B 589     -17.589  35.813  17.652  1.00 94.54           C  
+ATOM   3101  C   ASN B 589     -18.435  35.819  18.921  1.00 94.54           C  
+ATOM   3102  CB  ASN B 589     -17.322  37.246  17.184  1.00 94.54           C  
+ATOM   3103  O   ASN B 589     -17.899  35.815  20.030  1.00 94.54           O  
+ATOM   3104  CG  ASN B 589     -16.443  38.020  18.147  1.00 94.54           C  
+ATOM   3105  ND2 ASN B 589     -16.729  39.307  18.308  1.00 94.54           N  
+ATOM   3106  OD1 ASN B 589     -15.514  37.466  18.741  1.00 94.54           O  
+ATOM   3107  N   ASN B 590     -19.764  35.773  18.777  1.00 95.33           N  
+ATOM   3108  CA  ASN B 590     -20.663  35.896  19.919  1.00 95.33           C  
+ATOM   3109  C   ASN B 590     -21.061  34.529  20.470  1.00 95.33           C  
+ATOM   3110  CB  ASN B 590     -21.910  36.697  19.537  1.00 95.33           C  
+ATOM   3111  O   ASN B 590     -21.820  34.441  21.436  1.00 95.33           O  
+ATOM   3112  CG  ASN B 590     -21.593  38.139  19.192  1.00 95.33           C  
+ATOM   3113  ND2 ASN B 590     -22.387  38.724  18.303  1.00 95.33           N  
+ATOM   3114  OD1 ASN B 590     -20.642  38.722  19.719  1.00 95.33           O  
+ATOM   3115  N   ILE B 591     -20.445  33.515  19.862  1.00 94.98           N  
+ATOM   3116  CA  ILE B 591     -20.746  32.161  20.315  1.00 94.98           C  
+ATOM   3117  C   ILE B 591     -19.706  31.717  21.341  1.00 94.98           C  
+ATOM   3118  CB  ILE B 591     -20.791  31.167  19.133  1.00 94.98           C  
+ATOM   3119  O   ILE B 591     -18.502  31.870  21.121  1.00 94.98           O  
+ATOM   3120  CG1 ILE B 591     -21.903  31.554  18.152  1.00 94.98           C  
+ATOM   3121  CG2 ILE B 591     -20.982  29.734  19.639  1.00 94.98           C  
+ATOM   3122  CD1 ILE B 591     -21.947  30.696  16.895  1.00 94.98           C  
+ATOM   3123  N   ASP B 592     -20.183  31.192  22.449  1.00 95.66           N  
+ATOM   3124  CA  ASP B 592     -19.287  30.726  23.503  1.00 95.66           C  
+ATOM   3125  C   ASP B 592     -18.553  29.456  23.077  1.00 95.66           C  
+ATOM   3126  CB  ASP B 592     -20.064  30.475  24.797  1.00 95.66           C  
+ATOM   3127  O   ASP B 592     -19.126  28.599  22.401  1.00 95.66           O  
+ATOM   3128  CG  ASP B 592     -20.615  31.749  25.414  1.00 95.66           C  
+ATOM   3129  OD1 ASP B 592     -19.938  32.798  25.353  1.00 95.66           O  
+ATOM   3130  OD2 ASP B 592     -21.734  31.702  25.969  1.00 95.66           O  
+ATOM   3131  N   PRO B 593     -17.239  29.403  23.478  1.00 95.42           N  
+ATOM   3132  CA  PRO B 593     -16.522  28.150  23.231  1.00 95.42           C  
+ATOM   3133  C   PRO B 593     -17.117  26.969  23.994  1.00 95.42           C  
+ATOM   3134  CB  PRO B 593     -15.103  28.454  23.716  1.00 95.42           C  
+ATOM   3135  O   PRO B 593     -17.786  27.161  25.012  1.00 95.42           O  
+ATOM   3136  CG  PRO B 593     -15.270  29.544  24.726  1.00 95.42           C  
+ATOM   3137  CD  PRO B 593     -16.469  30.365  24.347  1.00 95.42           C  
+ATOM   3138  N   VAL B 594     -17.038  25.776  23.496  1.00 94.58           N  
+ATOM   3139  CA  VAL B 594     -17.597  24.558  24.072  1.00 94.58           C  
+ATOM   3140  C   VAL B 594     -16.967  24.296  25.438  1.00 94.58           C  
+ATOM   3141  CB  VAL B 594     -17.383  23.341  23.144  1.00 94.58           C  
+ATOM   3142  O   VAL B 594     -17.642  23.834  26.362  1.00 94.58           O  
+ATOM   3143  CG1 VAL B 594     -17.767  22.045  23.856  1.00 94.58           C  
+ATOM   3144  CG2 VAL B 594     -18.187  23.506  21.856  1.00 94.58           C  
+ATOM   3145  N   GLY B 595     -15.818  24.794  25.722  1.00 93.64           N  
+ATOM   3146  CA  GLY B 595     -15.092  24.476  26.941  1.00 93.64           C  
+ATOM   3147  C   GLY B 595     -14.436  23.109  26.906  1.00 93.64           C  
+ATOM   3148  O   GLY B 595     -14.388  22.465  25.856  1.00 93.64           O  
+ATOM   3149  N   ARG B 596     -13.850  22.676  28.052  1.00 94.57           N  
+ATOM   3150  CA  ARG B 596     -13.105  21.427  28.173  1.00 94.57           C  
+ATOM   3151  C   ARG B 596     -14.046  20.227  28.186  1.00 94.57           C  
+ATOM   3152  CB  ARG B 596     -12.246  21.433  29.439  1.00 94.57           C  
+ATOM   3153  O   ARG B 596     -15.016  20.200  28.946  1.00 94.57           O  
+ATOM   3154  CG  ARG B 596     -11.270  20.271  29.527  1.00 94.57           C  
+ATOM   3155  CD  ARG B 596     -10.373  20.378  30.752  1.00 94.57           C  
+ATOM   3156  NE  ARG B 596      -9.419  19.275  30.821  1.00 94.57           N  
+ATOM   3157  NH1 ARG B 596      -8.532  19.896  32.861  1.00 94.57           N  
+ATOM   3158  NH2 ARG B 596      -7.741  18.036  31.781  1.00 94.57           N  
+ATOM   3159  CZ  ARG B 596      -8.566  19.072  31.821  1.00 94.57           C  
+ATOM   3160  N   ILE B 597     -13.777  19.330  27.263  1.00 93.76           N  
+ATOM   3161  CA  ILE B 597     -14.543  18.093  27.155  1.00 93.76           C  
+ATOM   3162  C   ILE B 597     -13.702  16.920  27.655  1.00 93.76           C  
+ATOM   3163  CB  ILE B 597     -15.005  17.840  25.702  1.00 93.76           C  
+ATOM   3164  O   ILE B 597     -12.584  16.704  27.182  1.00 93.76           O  
+ATOM   3165  CG1 ILE B 597     -15.977  18.937  25.253  1.00 93.76           C  
+ATOM   3166  CG2 ILE B 597     -15.645  16.454  25.573  1.00 93.76           C  
+ATOM   3167  CD1 ILE B 597     -16.478  18.773  23.824  1.00 93.76           C  
+ATOM   3168  N   GLN B 598     -14.244  16.244  28.616  1.00 91.75           N  
+ATOM   3169  CA  GLN B 598     -13.577  15.047  29.118  1.00 91.75           C  
+ATOM   3170  C   GLN B 598     -14.383  13.792  28.796  1.00 91.75           C  
+ATOM   3171  CB  GLN B 598     -13.348  15.152  30.627  1.00 91.75           C  
+ATOM   3172  O   GLN B 598     -15.492  13.613  29.303  1.00 91.75           O  
+ATOM   3173  CG  GLN B 598     -12.285  16.169  31.019  1.00 91.75           C  
+ATOM   3174  CD  GLN B 598     -12.011  16.186  32.511  1.00 91.75           C  
+ATOM   3175  NE2 GLN B 598     -11.065  17.019  32.931  1.00 91.75           N  
+ATOM   3176  OE1 GLN B 598     -12.646  15.458  33.281  1.00 91.75           O  
+ATOM   3177  N   MET B 599     -13.832  13.035  27.839  1.00 94.18           N  
+ATOM   3178  CA  MET B 599     -14.439  11.748  27.513  1.00 94.18           C  
+ATOM   3179  C   MET B 599     -13.668  10.603  28.162  1.00 94.18           C  
+ATOM   3180  CB  MET B 599     -14.496  11.547  25.998  1.00 94.18           C  
+ATOM   3181  O   MET B 599     -12.439  10.643  28.240  1.00 94.18           O  
+ATOM   3182  CG  MET B 599     -15.376  12.557  25.279  1.00 94.18           C  
+ATOM   3183  SD  MET B 599     -15.460  12.254  23.471  1.00 94.18           S  
+ATOM   3184  CE  MET B 599     -16.667  13.520  22.990  1.00 94.18           C  
+ATOM   3185  N   ARG B 600     -14.385   9.696  28.740  1.00 93.56           N  
+ATOM   3186  CA  ARG B 600     -13.717   8.556  29.359  1.00 93.56           C  
+ATOM   3187  C   ARG B 600     -13.936   7.285  28.545  1.00 93.56           C  
+ATOM   3188  CB  ARG B 600     -14.214   8.354  30.792  1.00 93.56           C  
+ATOM   3189  O   ARG B 600     -14.945   7.155  27.848  1.00 93.56           O  
+ATOM   3190  CG  ARG B 600     -13.936   9.531  31.713  1.00 93.56           C  
+ATOM   3191  CD  ARG B 600     -14.430   9.269  33.129  1.00 93.56           C  
+ATOM   3192  NE  ARG B 600     -14.116  10.378  34.024  1.00 93.56           N  
+ATOM   3193  NH1 ARG B 600     -15.026   9.391  35.904  1.00 93.56           N  
+ATOM   3194  NH2 ARG B 600     -14.074  11.472  36.043  1.00 93.56           N  
+ATOM   3195  CZ  ARG B 600     -14.406  10.411  35.321  1.00 93.56           C  
+ATOM   3196  N   THR B 601     -12.906   6.463  28.640  1.00 95.05           N  
+ATOM   3197  CA  THR B 601     -13.032   5.154  28.008  1.00 95.05           C  
+ATOM   3198  C   THR B 601     -14.064   4.299  28.737  1.00 95.05           C  
+ATOM   3199  CB  THR B 601     -11.680   4.416  27.977  1.00 95.05           C  
+ATOM   3200  O   THR B 601     -13.901   3.992  29.920  1.00 95.05           O  
+ATOM   3201  CG2 THR B 601     -11.791   3.097  27.221  1.00 95.05           C  
+ATOM   3202  OG1 THR B 601     -10.705   5.244  27.331  1.00 95.05           O  
+ATOM   3203  N   ARG B 602     -15.070   3.924  28.028  1.00 94.46           N  
+ATOM   3204  CA  ARG B 602     -16.124   3.097  28.606  1.00 94.46           C  
+ATOM   3205  C   ARG B 602     -15.804   1.614  28.453  1.00 94.46           C  
+ATOM   3206  CB  ARG B 602     -17.473   3.412  27.955  1.00 94.46           C  
+ATOM   3207  O   ARG B 602     -15.975   0.837  29.395  1.00 94.46           O  
+ATOM   3208  CG  ARG B 602     -18.665   2.825  28.693  1.00 94.46           C  
+ATOM   3209  CD  ARG B 602     -19.983   3.222  28.042  1.00 94.46           C  
+ATOM   3210  NE  ARG B 602     -21.126   2.651  28.748  1.00 94.46           N  
+ATOM   3211  NH1 ARG B 602     -22.718   3.749  27.483  1.00 94.46           N  
+ATOM   3212  NH2 ARG B 602     -23.362   2.340  29.172  1.00 94.46           N  
+ATOM   3213  CZ  ARG B 602     -22.399   2.915  28.466  1.00 94.46           C  
+ATOM   3214  N   ARG B 603     -15.332   1.293  27.244  1.00 95.82           N  
+ATOM   3215  CA  ARG B 603     -15.027  -0.101  26.938  1.00 95.82           C  
+ATOM   3216  C   ARG B 603     -13.771  -0.211  26.079  1.00 95.82           C  
+ATOM   3217  CB  ARG B 603     -16.208  -0.766  26.227  1.00 95.82           C  
+ATOM   3218  O   ARG B 603     -13.497   0.665  25.256  1.00 95.82           O  
+ATOM   3219  CG  ARG B 603     -17.482  -0.806  27.056  1.00 95.82           C  
+ATOM   3220  CD  ARG B 603     -18.549  -1.676  26.407  1.00 95.82           C  
+ATOM   3221  NE  ARG B 603     -19.782  -1.691  27.190  1.00 95.82           N  
+ATOM   3222  NH1 ARG B 603     -20.227  -3.929  26.828  1.00 95.82           N  
+ATOM   3223  NH2 ARG B 603     -21.650  -2.664  28.104  1.00 95.82           N  
+ATOM   3224  CZ  ARG B 603     -20.550  -2.762  27.372  1.00 95.82           C  
+ATOM   3225  N   THR B 604     -13.079  -1.250  26.372  1.00 97.12           N  
+ATOM   3226  CA  THR B 604     -11.962  -1.630  25.515  1.00 97.12           C  
+ATOM   3227  C   THR B 604     -12.239  -2.963  24.824  1.00 97.12           C  
+ATOM   3228  CB  THR B 604     -10.650  -1.728  26.316  1.00 97.12           C  
+ATOM   3229  O   THR B 604     -12.483  -3.973  25.488  1.00 97.12           O  
+ATOM   3230  CG2 THR B 604      -9.479  -2.098  25.412  1.00 97.12           C  
+ATOM   3231  OG1 THR B 604     -10.380  -0.464  26.935  1.00 97.12           O  
+ATOM   3232  N   LEU B 605     -12.277  -2.922  23.481  1.00 97.86           N  
+ATOM   3233  CA  LEU B 605     -12.519  -4.135  22.708  1.00 97.86           C  
+ATOM   3234  C   LEU B 605     -11.212  -4.865  22.419  1.00 97.86           C  
+ATOM   3235  CB  LEU B 605     -13.232  -3.800  21.395  1.00 97.86           C  
+ATOM   3236  O   LEU B 605     -10.361  -4.357  21.686  1.00 97.86           O  
+ATOM   3237  CG  LEU B 605     -14.488  -2.935  21.506  1.00 97.86           C  
+ATOM   3238  CD1 LEU B 605     -15.187  -2.839  20.154  1.00 97.86           C  
+ATOM   3239  CD2 LEU B 605     -15.432  -3.496  22.564  1.00 97.86           C  
+ATOM   3240  N   ARG B 606     -11.121  -6.112  22.993  1.00 96.18           N  
+ATOM   3241  CA  ARG B 606      -9.914  -6.923  22.863  1.00 96.18           C  
+ATOM   3242  C   ARG B 606     -10.166  -8.142  21.983  1.00 96.18           C  
+ATOM   3243  CB  ARG B 606      -9.412  -7.364  24.239  1.00 96.18           C  
+ATOM   3244  O   ARG B 606     -11.157  -8.853  22.166  1.00 96.18           O  
+ATOM   3245  CG  ARG B 606      -9.057  -6.211  25.165  1.00 96.18           C  
+ATOM   3246  CD  ARG B 606      -8.624  -6.704  26.539  1.00 96.18           C  
+ATOM   3247  NE  ARG B 606      -8.240  -5.598  27.411  1.00 96.18           N  
+ATOM   3248  NH1 ARG B 606      -6.267  -6.568  28.119  1.00 96.18           N  
+ATOM   3249  NH2 ARG B 606      -6.879  -4.502  28.902  1.00 96.18           N  
+ATOM   3250  CZ  ARG B 606      -7.130  -5.559  28.142  1.00 96.18           C  
+ATOM   3251  N   GLY B 607      -9.256  -8.362  21.046  1.00 94.09           N  
+ATOM   3252  CA  GLY B 607      -9.381  -9.509  20.161  1.00 94.09           C  
+ATOM   3253  C   GLY B 607      -8.357  -9.513  19.042  1.00 94.09           C  
+ATOM   3254  O   GLY B 607      -7.644 -10.500  18.850  1.00 94.09           O  
+ATOM   3255  N   HIS B 608      -8.199  -8.398  18.469  1.00 96.86           N  
+ATOM   3256  CA  HIS B 608      -7.180  -8.323  17.428  1.00 96.86           C  
+ATOM   3257  C   HIS B 608      -5.788  -8.571  18.000  1.00 96.86           C  
+ATOM   3258  CB  HIS B 608      -7.225  -6.962  16.731  1.00 96.86           C  
+ATOM   3259  O   HIS B 608      -5.516  -8.228  19.153  1.00 96.86           O  
+ATOM   3260  CG  HIS B 608      -8.282  -6.862  15.677  1.00 96.86           C  
+ATOM   3261  CD2 HIS B 608      -9.334  -6.020  15.550  1.00 96.86           C  
+ATOM   3262  ND1 HIS B 608      -8.328  -7.705  14.587  1.00 96.86           N  
+ATOM   3263  CE1 HIS B 608      -9.365  -7.383  13.833  1.00 96.86           C  
+ATOM   3264  NE2 HIS B 608      -9.993  -6.364  14.395  1.00 96.86           N  
+ATOM   3265  N   LEU B 609      -4.875  -9.178  17.197  1.00 92.71           N  
+ATOM   3266  CA  LEU B 609      -3.552  -9.572  17.669  1.00 92.71           C  
+ATOM   3267  C   LEU B 609      -2.469  -8.697  17.045  1.00 92.71           C  
+ATOM   3268  CB  LEU B 609      -3.283 -11.044  17.345  1.00 92.71           C  
+ATOM   3269  O   LEU B 609      -1.277  -8.928  17.260  1.00 92.71           O  
+ATOM   3270  CG  LEU B 609      -4.267 -12.057  17.932  1.00 92.71           C  
+ATOM   3271  CD1 LEU B 609      -3.929 -13.464  17.450  1.00 92.71           C  
+ATOM   3272  CD2 LEU B 609      -4.258 -11.991  19.455  1.00 92.71           C  
+ATOM   3273  N   ALA B 610      -2.893  -7.824  16.173  1.00 92.20           N  
+ATOM   3274  CA  ALA B 610      -1.954  -6.929  15.503  1.00 92.20           C  
+ATOM   3275  C   ALA B 610      -2.572  -5.551  15.282  1.00 92.20           C  
+ATOM   3276  CB  ALA B 610      -1.506  -7.527  14.171  1.00 92.20           C  
+ATOM   3277  O   ALA B 610      -3.588  -5.214  15.894  1.00 92.20           O  
+ATOM   3278  N   LYS B 611      -2.000  -4.707  14.482  1.00 94.97           N  
+ATOM   3279  CA  LYS B 611      -2.386  -3.317  14.259  1.00 94.97           C  
+ATOM   3280  C   LYS B 611      -3.769  -3.226  13.619  1.00 94.97           C  
+ATOM   3281  CB  LYS B 611      -1.355  -2.608  13.380  1.00 94.97           C  
+ATOM   3282  O   LYS B 611      -4.063  -3.942  12.661  1.00 94.97           O  
+ATOM   3283  CG  LYS B 611       0.034  -2.529  13.996  1.00 94.97           C  
+ATOM   3284  CD  LYS B 611       1.043  -1.927  13.026  1.00 94.97           C  
+ATOM   3285  CE  LYS B 611       2.435  -1.855  13.639  1.00 94.97           C  
+ATOM   3286  NZ  LYS B 611       3.440  -1.324  12.670  1.00 94.97           N  
+ATOM   3287  N   ILE B 612      -4.509  -2.379  14.151  1.00 98.11           N  
+ATOM   3288  CA  ILE B 612      -5.817  -2.090  13.572  1.00 98.11           C  
+ATOM   3289  C   ILE B 612      -5.701  -0.923  12.593  1.00 98.11           C  
+ATOM   3290  CB  ILE B 612      -6.861  -1.772  14.665  1.00 98.11           C  
+ATOM   3291  O   ILE B 612      -5.244   0.161  12.962  1.00 98.11           O  
+ATOM   3292  CG1 ILE B 612      -7.022  -2.966  15.613  1.00 98.11           C  
+ATOM   3293  CG2 ILE B 612      -8.203  -1.389  14.034  1.00 98.11           C  
+ATOM   3294  CD1 ILE B 612      -7.800  -2.647  16.883  1.00 98.11           C  
+ATOM   3295  N   TYR B 613      -6.224  -1.087  11.358  1.00 97.26           N  
+ATOM   3296  CA  TYR B 613      -6.046  -0.081  10.317  1.00 97.26           C  
+ATOM   3297  C   TYR B 613      -7.334   0.699  10.086  1.00 97.26           C  
+ATOM   3298  CB  TYR B 613      -5.591  -0.736   9.009  1.00 97.26           C  
+ATOM   3299  O   TYR B 613      -7.297   1.872   9.705  1.00 97.26           O  
+ATOM   3300  CG  TYR B 613      -4.102  -0.967   8.931  1.00 97.26           C  
+ATOM   3301  CD1 TYR B 613      -3.245   0.034   8.478  1.00 97.26           C  
+ATOM   3302  CD2 TYR B 613      -3.548  -2.185   9.310  1.00 97.26           C  
+ATOM   3303  CE1 TYR B 613      -1.872  -0.174   8.403  1.00 97.26           C  
+ATOM   3304  CE2 TYR B 613      -2.176  -2.404   9.239  1.00 97.26           C  
+ATOM   3305  OH  TYR B 613       0.011  -1.606   8.713  1.00 97.26           O  
+ATOM   3306  CZ  TYR B 613      -1.347  -1.395   8.785  1.00 97.26           C  
+ATOM   3307  N   ALA B 614      -8.447  -0.009  10.239  1.00 98.04           N  
+ATOM   3308  CA  ALA B 614      -9.705   0.657   9.914  1.00 98.04           C  
+ATOM   3309  C   ALA B 614     -10.854   0.100  10.749  1.00 98.04           C  
+ATOM   3310  CB  ALA B 614     -10.015   0.513   8.426  1.00 98.04           C  
+ATOM   3311  O   ALA B 614     -10.803  -1.048  11.199  1.00 98.04           O  
+ATOM   3312  N   MET B 615     -11.790   0.930  10.975  1.00 98.13           N  
+ATOM   3313  CA  MET B 615     -13.022   0.555  11.663  1.00 98.13           C  
+ATOM   3314  C   MET B 615     -14.214   1.320  11.099  1.00 98.13           C  
+ATOM   3315  CB  MET B 615     -12.899   0.812  13.166  1.00 98.13           C  
+ATOM   3316  O   MET B 615     -14.051   2.398  10.524  1.00 98.13           O  
+ATOM   3317  CG  MET B 615     -12.812   2.285  13.531  1.00 98.13           C  
+ATOM   3318  SD  MET B 615     -14.440   2.989  14.002  1.00 98.13           S  
+ATOM   3319  CE  MET B 615     -15.353   1.466  14.373  1.00 98.13           C  
+ATOM   3320  N   HIS B 616     -15.380   0.722  11.122  1.00 98.34           N  
+ATOM   3321  CA  HIS B 616     -16.593   1.386  10.657  1.00 98.34           C  
+ATOM   3322  C   HIS B 616     -17.812   0.923  11.448  1.00 98.34           C  
+ATOM   3323  CB  HIS B 616     -16.806   1.127   9.164  1.00 98.34           C  
+ATOM   3324  O   HIS B 616     -18.015  -0.279  11.637  1.00 98.34           O  
+ATOM   3325  CG  HIS B 616     -17.884   1.967   8.557  1.00 98.34           C  
+ATOM   3326  CD2 HIS B 616     -17.986   3.309   8.406  1.00 98.34           C  
+ATOM   3327  ND1 HIS B 616     -19.034   1.430   8.021  1.00 98.34           N  
+ATOM   3328  CE1 HIS B 616     -19.798   2.407   7.563  1.00 98.34           C  
+ATOM   3329  NE2 HIS B 616     -19.185   3.557   7.785  1.00 98.34           N  
+ATOM   3330  N   TRP B 617     -18.613   1.918  11.903  1.00 98.09           N  
+ATOM   3331  CA  TRP B 617     -19.842   1.621  12.630  1.00 98.09           C  
+ATOM   3332  C   TRP B 617     -20.920   1.098  11.687  1.00 98.09           C  
+ATOM   3333  CB  TRP B 617     -20.348   2.866  13.364  1.00 98.09           C  
+ATOM   3334  O   TRP B 617     -21.003   1.523  10.533  1.00 98.09           O  
+ATOM   3335  CG  TRP B 617     -19.547   3.224  14.580  1.00 98.09           C  
+ATOM   3336  CD1 TRP B 617     -18.611   4.214  14.689  1.00 98.09           C  
+ATOM   3337  CD2 TRP B 617     -19.611   2.589  15.861  1.00 98.09           C  
+ATOM   3338  CE2 TRP B 617     -18.684   3.247  16.700  1.00 98.09           C  
+ATOM   3339  CE3 TRP B 617     -20.362   1.527  16.381  1.00 98.09           C  
+ATOM   3340  NE1 TRP B 617     -18.088   4.233  15.961  1.00 98.09           N  
+ATOM   3341  CH2 TRP B 617     -19.238   1.834  18.517  1.00 98.09           C  
+ATOM   3342  CZ2 TRP B 617     -18.490   2.877  18.033  1.00 98.09           C  
+ATOM   3343  CZ3 TRP B 617     -20.167   1.160  17.708  1.00 98.09           C  
+ATOM   3344  N   GLY B 618     -21.708   0.162  12.148  1.00 96.64           N  
+ATOM   3345  CA  GLY B 618     -22.961  -0.159  11.485  1.00 96.64           C  
+ATOM   3346  C   GLY B 618     -24.039   0.885  11.707  1.00 96.64           C  
+ATOM   3347  O   GLY B 618     -23.917   1.731  12.596  1.00 96.64           O  
+ATOM   3348  N   THR B 619     -25.081   0.844  10.953  1.00 93.96           N  
+ATOM   3349  CA  THR B 619     -26.129   1.855  11.040  1.00 93.96           C  
+ATOM   3350  C   THR B 619     -26.987   1.640  12.283  1.00 93.96           C  
+ATOM   3351  CB  THR B 619     -27.023   1.842   9.787  1.00 93.96           C  
+ATOM   3352  O   THR B 619     -27.744   2.527  12.683  1.00 93.96           O  
+ATOM   3353  CG2 THR B 619     -26.254   2.315   8.557  1.00 93.96           C  
+ATOM   3354  OG1 THR B 619     -27.495   0.509   9.558  1.00 93.96           O  
+ATOM   3355  N   ASP B 620     -26.832   0.539  12.977  1.00 95.16           N  
+ATOM   3356  CA  ASP B 620     -27.619   0.213  14.162  1.00 95.16           C  
+ATOM   3357  C   ASP B 620     -27.017   0.850  15.413  1.00 95.16           C  
+ATOM   3358  CB  ASP B 620     -27.719  -1.303  14.340  1.00 95.16           C  
+ATOM   3359  O   ASP B 620     -27.507   0.634  16.523  1.00 95.16           O  
+ATOM   3360  CG  ASP B 620     -26.364  -1.974  14.483  1.00 95.16           C  
+ATOM   3361  OD1 ASP B 620     -25.330  -1.272  14.459  1.00 95.16           O  
+ATOM   3362  OD2 ASP B 620     -26.330  -3.216  14.616  1.00 95.16           O  
+ATOM   3363  N   SER B 621     -25.903   1.628  15.302  1.00 95.00           N  
+ATOM   3364  CA  SER B 621     -25.218   2.340  16.376  1.00 95.00           C  
+ATOM   3365  C   SER B 621     -24.784   1.385  17.483  1.00 95.00           C  
+ATOM   3366  CB  SER B 621     -26.119   3.431  16.957  1.00 95.00           C  
+ATOM   3367  O   SER B 621     -24.673   1.782  18.645  1.00 95.00           O  
+ATOM   3368  OG  SER B 621     -26.425   4.406  15.975  1.00 95.00           O  
+ATOM   3369  N   ARG B 622     -24.627   0.169  17.117  1.00 95.22           N  
+ATOM   3370  CA  ARG B 622     -24.261  -0.866  18.077  1.00 95.22           C  
+ATOM   3371  C   ARG B 622     -23.082  -1.691  17.570  1.00 95.22           C  
+ATOM   3372  CB  ARG B 622     -25.454  -1.780  18.365  1.00 95.22           C  
+ATOM   3373  O   ARG B 622     -22.043  -1.767  18.228  1.00 95.22           O  
+ATOM   3374  CG  ARG B 622     -25.140  -2.922  19.318  1.00 95.22           C  
+ATOM   3375  CD  ARG B 622     -26.375  -3.759  19.622  1.00 95.22           C  
+ATOM   3376  NE  ARG B 622     -26.044  -4.940  20.414  1.00 95.22           N  
+ATOM   3377  NH1 ARG B 622     -28.220  -5.702  20.567  1.00 95.22           N  
+ATOM   3378  NH2 ARG B 622     -26.518  -6.874  21.558  1.00 95.22           N  
+ATOM   3379  CZ  ARG B 622     -26.928  -5.836  20.844  1.00 95.22           C  
+ATOM   3380  N   LEU B 623     -23.183  -2.183  16.393  1.00 97.39           N  
+ATOM   3381  CA  LEU B 623     -22.160  -3.054  15.825  1.00 97.39           C  
+ATOM   3382  C   LEU B 623     -21.100  -2.240  15.091  1.00 97.39           C  
+ATOM   3383  CB  LEU B 623     -22.792  -4.071  14.870  1.00 97.39           C  
+ATOM   3384  O   LEU B 623     -21.402  -1.186  14.526  1.00 97.39           O  
+ATOM   3385  CG  LEU B 623     -23.822  -5.023  15.479  1.00 97.39           C  
+ATOM   3386  CD1 LEU B 623     -24.342  -5.989  14.420  1.00 97.39           C  
+ATOM   3387  CD2 LEU B 623     -23.219  -5.784  16.654  1.00 97.39           C  
+ATOM   3388  N   LEU B 624     -19.911  -2.719  15.185  1.00 97.77           N  
+ATOM   3389  CA  LEU B 624     -18.842  -2.108  14.402  1.00 97.77           C  
+ATOM   3390  C   LEU B 624     -17.898  -3.170  13.849  1.00 97.77           C  
+ATOM   3391  CB  LEU B 624     -18.059  -1.106  15.254  1.00 97.77           C  
+ATOM   3392  O   LEU B 624     -17.769  -4.253  14.424  1.00 97.77           O  
+ATOM   3393  CG  LEU B 624     -17.265  -1.686  16.425  1.00 97.77           C  
+ATOM   3394  CD1 LEU B 624     -15.795  -1.835  16.046  1.00 97.77           C  
+ATOM   3395  CD2 LEU B 624     -17.417  -0.808  17.662  1.00 97.77           C  
+ATOM   3396  N   VAL B 625     -17.355  -2.881  12.705  1.00 98.51           N  
+ATOM   3397  CA  VAL B 625     -16.389  -3.771  12.070  1.00 98.51           C  
+ATOM   3398  C   VAL B 625     -14.995  -3.150  12.133  1.00 98.51           C  
+ATOM   3399  CB  VAL B 625     -16.772  -4.073  10.604  1.00 98.51           C  
+ATOM   3400  O   VAL B 625     -14.844  -1.934  11.994  1.00 98.51           O  
+ATOM   3401  CG1 VAL B 625     -16.816  -2.786   9.781  1.00 98.51           C  
+ATOM   3402  CG2 VAL B 625     -15.790  -5.069   9.991  1.00 98.51           C  
+ATOM   3403  N   SER B 626     -14.007  -3.995  12.440  1.00 98.65           N  
+ATOM   3404  CA  SER B 626     -12.615  -3.557  12.446  1.00 98.65           C  
+ATOM   3405  C   SER B 626     -11.752  -4.449  11.559  1.00 98.65           C  
+ATOM   3406  CB  SER B 626     -12.061  -3.551  13.871  1.00 98.65           C  
+ATOM   3407  O   SER B 626     -12.017  -5.645  11.428  1.00 98.65           O  
+ATOM   3408  OG  SER B 626     -12.097  -4.852  14.431  1.00 98.65           O  
+ATOM   3409  N   ALA B 627     -10.778  -3.857  10.902  1.00 98.15           N  
+ATOM   3410  CA  ALA B 627      -9.818  -4.553  10.049  1.00 98.15           C  
+ATOM   3411  C   ALA B 627      -8.404  -4.447  10.613  1.00 98.15           C  
+ATOM   3412  CB  ALA B 627      -9.865  -3.994   8.629  1.00 98.15           C  
+ATOM   3413  O   ALA B 627      -7.920  -3.347  10.888  1.00 98.15           O  
+ATOM   3414  N   SER B 628      -7.717  -5.586  10.695  1.00 97.07           N  
+ATOM   3415  CA  SER B 628      -6.421  -5.600  11.365  1.00 97.07           C  
+ATOM   3416  C   SER B 628      -5.379  -6.346  10.539  1.00 97.07           C  
+ATOM   3417  CB  SER B 628      -6.540  -6.241  12.749  1.00 97.07           C  
+ATOM   3418  O   SER B 628      -5.727  -7.141   9.663  1.00 97.07           O  
+ATOM   3419  OG  SER B 628      -5.261  -6.422  13.331  1.00 97.07           O  
+ATOM   3420  N   GLN B 629      -4.192  -6.040  10.865  1.00 92.28           N  
+ATOM   3421  CA  GLN B 629      -3.055  -6.693  10.226  1.00 92.28           C  
+ATOM   3422  C   GLN B 629      -2.947  -8.154  10.654  1.00 92.28           C  
+ATOM   3423  CB  GLN B 629      -1.757  -5.953  10.553  1.00 92.28           C  
+ATOM   3424  O   GLN B 629      -2.132  -8.905  10.117  1.00 92.28           O  
+ATOM   3425  CG  GLN B 629      -0.578  -6.365   9.682  1.00 92.28           C  
+ATOM   3426  CD  GLN B 629       0.644  -5.490   9.896  1.00 92.28           C  
+ATOM   3427  NE2 GLN B 629       1.537  -5.469   8.912  1.00 92.28           N  
+ATOM   3428  OE1 GLN B 629       0.783  -4.839  10.936  1.00 92.28           O  
+ATOM   3429  N   ASP B 630      -3.638  -8.491  11.556  1.00 91.58           N  
+ATOM   3430  CA  ASP B 630      -3.653  -9.893  11.965  1.00 91.58           C  
+ATOM   3431  C   ASP B 630      -4.420 -10.749  10.960  1.00 91.58           C  
+ATOM   3432  CB  ASP B 630      -4.268 -10.039  13.358  1.00 91.58           C  
+ATOM   3433  O   ASP B 630      -4.601 -11.950  11.170  1.00 91.58           O  
+ATOM   3434  CG  ASP B 630      -5.718  -9.592  13.416  1.00 91.58           C  
+ATOM   3435  OD1 ASP B 630      -6.317  -9.325  12.352  1.00 91.58           O  
+ATOM   3436  OD2 ASP B 630      -6.266  -9.504  14.536  1.00 91.58           O  
+ATOM   3437  N   GLY B 631      -4.934 -10.157   9.887  1.00 91.38           N  
+ATOM   3438  CA  GLY B 631      -5.585 -10.862   8.795  1.00 91.38           C  
+ATOM   3439  C   GLY B 631      -7.048 -11.157   9.063  1.00 91.38           C  
+ATOM   3440  O   GLY B 631      -7.612 -12.095   8.496  1.00 91.38           O  
+ATOM   3441  N   LYS B 632      -7.652 -10.362   9.959  1.00 95.79           N  
+ATOM   3442  CA  LYS B 632      -9.041 -10.646  10.307  1.00 95.79           C  
+ATOM   3443  C   LYS B 632      -9.887  -9.376  10.274  1.00 95.79           C  
+ATOM   3444  CB  LYS B 632      -9.127 -11.297  11.688  1.00 95.79           C  
+ATOM   3445  O   LYS B 632      -9.397  -8.289  10.586  1.00 95.79           O  
+ATOM   3446  CG  LYS B 632      -8.482 -12.673  11.765  1.00 95.79           C  
+ATOM   3447  CD  LYS B 632      -8.723 -13.328  13.119  1.00 95.79           C  
+ATOM   3448  CE  LYS B 632      -8.145 -14.736  13.170  1.00 95.79           C  
+ATOM   3449  NZ  LYS B 632      -6.691 -14.751  12.829  1.00 95.79           N  
+ATOM   3450  N   LEU B 633     -11.138  -9.523   9.826  1.00 97.77           N  
+ATOM   3451  CA  LEU B 633     -12.225  -8.616  10.178  1.00 97.77           C  
+ATOM   3452  C   LEU B 633     -12.964  -9.108  11.418  1.00 97.77           C  
+ATOM   3453  CB  LEU B 633     -13.204  -8.473   9.009  1.00 97.77           C  
+ATOM   3454  O   LEU B 633     -13.325 -10.284  11.504  1.00 97.77           O  
+ATOM   3455  CG  LEU B 633     -12.656  -7.812   7.743  1.00 97.77           C  
+ATOM   3456  CD1 LEU B 633     -13.708  -7.829   6.639  1.00 97.77           C  
+ATOM   3457  CD2 LEU B 633     -12.205  -6.386   8.037  1.00 97.77           C  
+ATOM   3458  N   ILE B 634     -13.123  -8.163  12.362  1.00 97.87           N  
+ATOM   3459  CA  ILE B 634     -13.921  -8.561  13.517  1.00 97.87           C  
+ATOM   3460  C   ILE B 634     -15.155  -7.668  13.624  1.00 97.87           C  
+ATOM   3461  CB  ILE B 634     -13.097  -8.497  14.822  1.00 97.87           C  
+ATOM   3462  O   ILE B 634     -15.050  -6.442  13.545  1.00 97.87           O  
+ATOM   3463  CG1 ILE B 634     -11.945  -9.507  14.778  1.00 97.87           C  
+ATOM   3464  CG2 ILE B 634     -13.994  -8.742  16.040  1.00 97.87           C  
+ATOM   3465  CD1 ILE B 634     -11.079  -9.514  16.030  1.00 97.87           C  
+ATOM   3466  N   ILE B 635     -16.291  -8.295  13.741  1.00 97.60           N  
+ATOM   3467  CA  ILE B 635     -17.530  -7.586  14.039  1.00 97.60           C  
+ATOM   3468  C   ILE B 635     -17.796  -7.620  15.542  1.00 97.60           C  
+ATOM   3469  CB  ILE B 635     -18.727  -8.189  13.269  1.00 97.60           C  
+ATOM   3470  O   ILE B 635     -17.867  -8.696  16.142  1.00 97.60           O  
+ATOM   3471  CG1 ILE B 635     -18.381  -8.347  11.783  1.00 97.60           C  
+ATOM   3472  CG2 ILE B 635     -19.978  -7.325  13.451  1.00 97.60           C  
+ATOM   3473  CD1 ILE B 635     -18.036  -7.038  11.086  1.00 97.60           C  
+ATOM   3474  N   TRP B 636     -17.944  -6.377  16.097  1.00 97.76           N  
+ATOM   3475  CA  TRP B 636     -18.060  -6.226  17.543  1.00 97.76           C  
+ATOM   3476  C   TRP B 636     -19.466  -5.784  17.933  1.00 97.76           C  
+ATOM   3477  CB  TRP B 636     -17.032  -5.217  18.063  1.00 97.76           C  
+ATOM   3478  O   TRP B 636     -20.129  -5.065  17.182  1.00 97.76           O  
+ATOM   3479  CG  TRP B 636     -15.634  -5.469  17.582  1.00 97.76           C  
+ATOM   3480  CD1 TRP B 636     -15.080  -5.053  16.404  1.00 97.76           C  
+ATOM   3481  CD2 TRP B 636     -14.614  -6.202  18.268  1.00 97.76           C  
+ATOM   3482  CE2 TRP B 636     -13.465  -6.188  17.446  1.00 97.76           C  
+ATOM   3483  CE3 TRP B 636     -14.559  -6.868  19.500  1.00 97.76           C  
+ATOM   3484  NE1 TRP B 636     -13.776  -5.481  16.316  1.00 97.76           N  
+ATOM   3485  CH2 TRP B 636     -12.248  -7.461  19.027  1.00 97.76           C  
+ATOM   3486  CZ2 TRP B 636     -12.274  -6.817  17.818  1.00 97.76           C  
+ATOM   3487  CZ3 TRP B 636     -13.373  -7.493  19.867  1.00 97.76           C  
+ATOM   3488  N   ASP B 637     -19.905  -6.294  19.008  1.00 96.31           N  
+ATOM   3489  CA  ASP B 637     -20.969  -5.633  19.759  1.00 96.31           C  
+ATOM   3490  C   ASP B 637     -20.393  -4.690  20.813  1.00 96.31           C  
+ATOM   3491  CB  ASP B 637     -21.881  -6.668  20.422  1.00 96.31           C  
+ATOM   3492  O   ASP B 637     -19.857  -5.138  21.829  1.00 96.31           O  
+ATOM   3493  CG  ASP B 637     -23.112  -6.051  21.061  1.00 96.31           C  
+ATOM   3494  OD1 ASP B 637     -23.027  -4.916  21.579  1.00 96.31           O  
+ATOM   3495  OD2 ASP B 637     -24.177  -6.706  21.050  1.00 96.31           O  
+ATOM   3496  N   SER B 638     -20.610  -3.410  20.572  1.00 95.43           N  
+ATOM   3497  CA  SER B 638     -19.918  -2.402  21.369  1.00 95.43           C  
+ATOM   3498  C   SER B 638     -20.512  -2.303  22.771  1.00 95.43           C  
+ATOM   3499  CB  SER B 638     -19.983  -1.038  20.682  1.00 95.43           C  
+ATOM   3500  O   SER B 638     -19.846  -1.845  23.702  1.00 95.43           O  
+ATOM   3501  OG  SER B 638     -21.324  -0.593  20.571  1.00 95.43           O  
+ATOM   3502  N   TYR B 639     -21.710  -2.757  23.047  1.00 93.05           N  
+ATOM   3503  CA  TYR B 639     -22.349  -2.691  24.356  1.00 93.05           C  
+ATOM   3504  C   TYR B 639     -21.872  -3.826  25.254  1.00 93.05           C  
+ATOM   3505  CB  TYR B 639     -23.873  -2.744  24.214  1.00 93.05           C  
+ATOM   3506  O   TYR B 639     -21.563  -3.609  26.429  1.00 93.05           O  
+ATOM   3507  CG  TYR B 639     -24.481  -1.459  23.706  1.00 93.05           C  
+ATOM   3508  CD1 TYR B 639     -24.499  -0.314  24.499  1.00 93.05           C  
+ATOM   3509  CD2 TYR B 639     -25.038  -1.387  22.434  1.00 93.05           C  
+ATOM   3510  CE1 TYR B 639     -25.060   0.873  24.036  1.00 93.05           C  
+ATOM   3511  CE2 TYR B 639     -25.601  -0.207  21.961  1.00 93.05           C  
+ATOM   3512  OH  TYR B 639     -26.163   2.088  22.305  1.00 93.05           O  
+ATOM   3513  CZ  TYR B 639     -25.607   0.916  22.768  1.00 93.05           C  
+ATOM   3514  N   THR B 640     -21.715  -5.028  24.598  1.00 94.29           N  
+ATOM   3515  CA  THR B 640     -21.383  -6.209  25.388  1.00 94.29           C  
+ATOM   3516  C   THR B 640     -19.901  -6.546  25.260  1.00 94.29           C  
+ATOM   3517  CB  THR B 640     -22.227  -7.424  24.959  1.00 94.29           C  
+ATOM   3518  O   THR B 640     -19.383  -7.384  26.001  1.00 94.29           O  
+ATOM   3519  CG2 THR B 640     -23.719  -7.129  25.083  1.00 94.29           C  
+ATOM   3520  OG1 THR B 640     -21.928  -7.748  23.595  1.00 94.29           O  
+ATOM   3521  N   THR B 641     -19.232  -6.009  24.230  1.00 95.39           N  
+ATOM   3522  CA  THR B 641     -17.830  -6.227  23.892  1.00 95.39           C  
+ATOM   3523  C   THR B 641     -17.628  -7.615  23.290  1.00 95.39           C  
+ATOM   3524  CB  THR B 641     -16.926  -6.064  25.128  1.00 95.39           C  
+ATOM   3525  O   THR B 641     -16.494  -8.074  23.142  1.00 95.39           O  
+ATOM   3526  CG2 THR B 641     -17.132  -4.703  25.784  1.00 95.39           C  
+ATOM   3527  OG1 THR B 641     -17.235  -7.091  26.077  1.00 95.39           O  
+ATOM   3528  N   ASN B 642     -18.761  -8.222  23.005  1.00 96.10           N  
+ATOM   3529  CA  ASN B 642     -18.697  -9.547  22.397  1.00 96.10           C  
+ATOM   3530  C   ASN B 642     -18.267  -9.472  20.934  1.00 96.10           C  
+ATOM   3531  CB  ASN B 642     -20.045 -10.260  22.519  1.00 96.10           C  
+ATOM   3532  O   ASN B 642     -18.625  -8.530  20.225  1.00 96.10           O  
+ATOM   3533  CG  ASN B 642     -20.362 -10.669  23.943  1.00 96.10           C  
+ATOM   3534  ND2 ASN B 642     -21.642 -10.877  24.230  1.00 96.10           N  
+ATOM   3535  OD1 ASN B 642     -19.465 -10.797  24.780  1.00 96.10           O  
+ATOM   3536  N   LYS B 643     -17.443 -10.474  20.492  1.00 95.51           N  
+ATOM   3537  CA  LYS B 643     -17.141 -10.652  19.074  1.00 95.51           C  
+ATOM   3538  C   LYS B 643     -18.245 -11.438  18.371  1.00 95.51           C  
+ATOM   3539  CB  LYS B 643     -15.798 -11.362  18.897  1.00 95.51           C  
+ATOM   3540  O   LYS B 643     -18.501 -12.596  18.708  1.00 95.51           O  
+ATOM   3541  CG  LYS B 643     -14.626 -10.641  19.546  1.00 95.51           C  
+ATOM   3542  CD  LYS B 643     -13.350 -11.469  19.472  1.00 95.51           C  
+ATOM   3543  CE  LYS B 643     -12.277 -10.929  20.407  1.00 95.51           C  
+ATOM   3544  NZ  LYS B 643     -12.677 -11.054  21.841  1.00 95.51           N  
+ATOM   3545  N   VAL B 644     -18.904 -10.700  17.426  1.00 94.25           N  
+ATOM   3546  CA  VAL B 644     -20.017 -11.326  16.720  1.00 94.25           C  
+ATOM   3547  C   VAL B 644     -19.483 -12.233  15.614  1.00 94.25           C  
+ATOM   3548  CB  VAL B 644     -20.979 -10.272  16.128  1.00 94.25           C  
+ATOM   3549  O   VAL B 644     -19.939 -13.369  15.460  1.00 94.25           O  
+ATOM   3550  CG1 VAL B 644     -22.120 -10.948  15.369  1.00 94.25           C  
+ATOM   3551  CG2 VAL B 644     -21.528  -9.370  17.232  1.00 94.25           C  
+ATOM   3552  N   HIS B 645     -18.480 -11.743  14.855  1.00 94.33           N  
+ATOM   3553  CA  HIS B 645     -17.784 -12.477  13.804  1.00 94.33           C  
+ATOM   3554  C   HIS B 645     -16.285 -12.197  13.837  1.00 94.33           C  
+ATOM   3555  CB  HIS B 645     -18.356 -12.119  12.432  1.00 94.33           C  
+ATOM   3556  O   HIS B 645     -15.862 -11.101  14.211  1.00 94.33           O  
+ATOM   3557  CG  HIS B 645     -19.775 -12.552  12.241  1.00 94.33           C  
+ATOM   3558  CD2 HIS B 645     -20.922 -11.836  12.181  1.00 94.33           C  
+ATOM   3559  ND1 HIS B 645     -20.135 -13.873  12.088  1.00 94.33           N  
+ATOM   3560  CE1 HIS B 645     -21.447 -13.951  11.942  1.00 94.33           C  
+ATOM   3561  NE2 HIS B 645     -21.949 -12.729  11.994  1.00 94.33           N  
+ATOM   3562  N   ALA B 646     -15.539 -13.223  13.535  1.00 94.66           N  
+ATOM   3563  CA  ALA B 646     -14.130 -13.074  13.179  1.00 94.66           C  
+ATOM   3564  C   ALA B 646     -13.841 -13.691  11.814  1.00 94.66           C  
+ATOM   3565  CB  ALA B 646     -13.242 -13.710  14.246  1.00 94.66           C  
+ATOM   3566  O   ALA B 646     -13.690 -14.910  11.696  1.00 94.66           O  
+ATOM   3567  N   ILE B 647     -13.729 -12.783  10.839  1.00 95.19           N  
+ATOM   3568  CA  ILE B 647     -13.665 -13.204   9.444  1.00 95.19           C  
+ATOM   3569  C   ILE B 647     -12.214 -13.194   8.968  1.00 95.19           C  
+ATOM   3570  CB  ILE B 647     -14.532 -12.299   8.540  1.00 95.19           C  
+ATOM   3571  O   ILE B 647     -11.572 -12.142   8.936  1.00 95.19           O  
+ATOM   3572  CG1 ILE B 647     -15.973 -12.249   9.060  1.00 95.19           C  
+ATOM   3573  CG2 ILE B 647     -14.490 -12.785   7.089  1.00 95.19           C  
+ATOM   3574  CD1 ILE B 647     -16.812 -11.132   8.453  1.00 95.19           C  
+ATOM   3575  N   PRO B 648     -11.664 -14.385   8.597  1.00 92.77           N  
+ATOM   3576  CA  PRO B 648     -10.302 -14.415   8.059  1.00 92.77           C  
+ATOM   3577  C   PRO B 648     -10.203 -13.790   6.669  1.00 92.77           C  
+ATOM   3578  CB  PRO B 648      -9.975 -15.910   8.010  1.00 92.77           C  
+ATOM   3579  O   PRO B 648     -11.070 -14.020   5.822  1.00 92.77           O  
+ATOM   3580  CG  PRO B 648     -11.304 -16.589   7.929  1.00 92.77           C  
+ATOM   3581  CD  PRO B 648     -12.324 -15.725   8.613  1.00 92.77           C  
+ATOM   3582  N   LEU B 649      -9.133 -13.007   6.507  1.00 91.80           N  
+ATOM   3583  CA  LEU B 649      -8.921 -12.333   5.230  1.00 91.80           C  
+ATOM   3584  C   LEU B 649      -7.938 -13.111   4.361  1.00 91.80           C  
+ATOM   3585  CB  LEU B 649      -8.405 -10.909   5.455  1.00 91.80           C  
+ATOM   3586  O   LEU B 649      -7.094 -13.847   4.878  1.00 91.80           O  
+ATOM   3587  CG  LEU B 649      -9.266 -10.008   6.342  1.00 91.80           C  
+ATOM   3588  CD1 LEU B 649      -8.550  -8.689   6.610  1.00 91.80           C  
+ATOM   3589  CD2 LEU B 649     -10.625  -9.764   5.697  1.00 91.80           C  
+ATOM   3590  N   ARG B 650      -8.000 -12.914   3.090  1.00 81.79           N  
+ATOM   3591  CA  ARG B 650      -7.065 -13.501   2.136  1.00 81.79           C  
+ATOM   3592  C   ARG B 650      -5.667 -12.917   2.307  1.00 81.79           C  
+ATOM   3593  CB  ARG B 650      -7.552 -13.283   0.701  1.00 81.79           C  
+ATOM   3594  O   ARG B 650      -4.670 -13.630   2.179  1.00 81.79           O  
+ATOM   3595  CG  ARG B 650      -6.723 -14.007  -0.348  1.00 81.79           C  
+ATOM   3596  CD  ARG B 650      -7.252 -13.760  -1.753  1.00 81.79           C  
+ATOM   3597  NE  ARG B 650      -6.454 -14.455  -2.759  1.00 81.79           N  
+ATOM   3598  NH1 ARG B 650      -7.435 -13.401  -4.566  1.00 81.79           N  
+ATOM   3599  NH2 ARG B 650      -5.784 -14.955  -4.898  1.00 81.79           N  
+ATOM   3600  CZ  ARG B 650      -6.559 -14.269  -4.072  1.00 81.79           C  
+ATOM   3601  N   SER B 651      -5.741 -11.586   2.497  1.00 84.26           N  
+ATOM   3602  CA  SER B 651      -4.497 -10.852   2.703  1.00 84.26           C  
+ATOM   3603  C   SER B 651      -4.511 -10.102   4.031  1.00 84.26           C  
+ATOM   3604  CB  SER B 651      -4.257  -9.869   1.556  1.00 84.26           C  
+ATOM   3605  O   SER B 651      -5.514  -9.480   4.388  1.00 84.26           O  
+ATOM   3606  OG  SER B 651      -3.139  -9.042   1.828  1.00 84.26           O  
+ATOM   3607  N   SER B 652      -3.408 -10.228   4.760  1.00 87.00           N  
+ATOM   3608  CA  SER B 652      -3.298  -9.558   6.051  1.00 87.00           C  
+ATOM   3609  C   SER B 652      -3.041  -8.064   5.879  1.00 87.00           C  
+ATOM   3610  CB  SER B 652      -2.179 -10.183   6.886  1.00 87.00           C  
+ATOM   3611  O   SER B 652      -3.154  -7.296   6.837  1.00 87.00           O  
+ATOM   3612  OG  SER B 652      -0.936 -10.089   6.212  1.00 87.00           O  
+ATOM   3613  N   TRP B 653      -2.780  -7.664   4.671  1.00 86.92           N  
+ATOM   3614  CA  TRP B 653      -2.419  -6.273   4.417  1.00 86.92           C  
+ATOM   3615  C   TRP B 653      -3.655  -5.440   4.096  1.00 86.92           C  
+ATOM   3616  CB  TRP B 653      -1.412  -6.179   3.267  1.00 86.92           C  
+ATOM   3617  O   TRP B 653      -3.790  -4.919   2.986  1.00 86.92           O  
+ATOM   3618  CG  TRP B 653      -0.125  -6.904   3.524  1.00 86.92           C  
+ATOM   3619  CD1 TRP B 653       0.295  -8.068   2.943  1.00 86.92           C  
+ATOM   3620  CD2 TRP B 653       0.908  -6.514   4.433  1.00 86.92           C  
+ATOM   3621  CE2 TRP B 653       1.927  -7.489   4.352  1.00 86.92           C  
+ATOM   3622  CE3 TRP B 653       1.071  -5.433   5.310  1.00 86.92           C  
+ATOM   3623  NE1 TRP B 653       1.528  -8.425   3.436  1.00 86.92           N  
+ATOM   3624  CH2 TRP B 653       3.229  -6.346   5.965  1.00 86.92           C  
+ATOM   3625  CZ2 TRP B 653       3.094  -7.414   5.115  1.00 86.92           C  
+ATOM   3626  CZ3 TRP B 653       2.234  -5.360   6.069  1.00 86.92           C  
+ATOM   3627  N   VAL B 654      -4.537  -5.351   5.034  1.00 95.36           N  
+ATOM   3628  CA  VAL B 654      -5.813  -4.652   4.920  1.00 95.36           C  
+ATOM   3629  C   VAL B 654      -5.639  -3.189   5.322  1.00 95.36           C  
+ATOM   3630  CB  VAL B 654      -6.905  -5.317   5.787  1.00 95.36           C  
+ATOM   3631  O   VAL B 654      -4.866  -2.877   6.232  1.00 95.36           O  
+ATOM   3632  CG1 VAL B 654      -6.530  -5.259   7.266  1.00 95.36           C  
+ATOM   3633  CG2 VAL B 654      -8.257  -4.647   5.548  1.00 95.36           C  
+ATOM   3634  N   MET B 655      -6.332  -2.298   4.605  1.00 95.60           N  
+ATOM   3635  CA  MET B 655      -6.168  -0.878   4.902  1.00 95.60           C  
+ATOM   3636  C   MET B 655      -7.512  -0.230   5.222  1.00 95.60           C  
+ATOM   3637  CB  MET B 655      -5.505  -0.155   3.728  1.00 95.60           C  
+ATOM   3638  O   MET B 655      -7.560   0.856   5.801  1.00 95.60           O  
+ATOM   3639  CG  MET B 655      -4.064  -0.572   3.487  1.00 95.60           C  
+ATOM   3640  SD  MET B 655      -3.240   0.452   2.207  1.00 95.60           S  
+ATOM   3641  CE  MET B 655      -3.108   2.029   3.095  1.00 95.60           C  
+ATOM   3642  N   THR B 656      -8.637  -0.876   4.820  1.00 98.01           N  
+ATOM   3643  CA  THR B 656      -9.942  -0.247   4.988  1.00 98.01           C  
+ATOM   3644  C   THR B 656     -11.033  -1.301   5.155  1.00 98.01           C  
+ATOM   3645  CB  THR B 656     -10.282   0.663   3.793  1.00 98.01           C  
+ATOM   3646  O   THR B 656     -10.886  -2.434   4.691  1.00 98.01           O  
+ATOM   3647  CG2 THR B 656     -10.501  -0.155   2.524  1.00 98.01           C  
+ATOM   3648  OG1 THR B 656     -11.477   1.399   4.085  1.00 98.01           O  
+ATOM   3649  N   CYS B 657     -12.090  -0.929   5.838  1.00 98.35           N  
+ATOM   3650  CA  CYS B 657     -13.306  -1.728   5.935  1.00 98.35           C  
+ATOM   3651  C   CYS B 657     -14.539  -0.838   6.018  1.00 98.35           C  
+ATOM   3652  CB  CYS B 657     -13.246  -2.648   7.155  1.00 98.35           C  
+ATOM   3653  O   CYS B 657     -14.438   0.340   6.368  1.00 98.35           O  
+ATOM   3654  SG  CYS B 657     -13.189  -1.765   8.730  1.00 98.35           S  
+ATOM   3655  N   ALA B 658     -15.701  -1.430   5.610  1.00 98.38           N  
+ATOM   3656  CA  ALA B 658     -16.933  -0.646   5.630  1.00 98.38           C  
+ATOM   3657  C   ALA B 658     -18.155  -1.547   5.784  1.00 98.38           C  
+ATOM   3658  CB  ALA B 658     -17.051   0.192   4.358  1.00 98.38           C  
+ATOM   3659  O   ALA B 658     -18.199  -2.645   5.223  1.00 98.38           O  
+ATOM   3660  N   TYR B 659     -19.128  -1.009   6.547  1.00 97.90           N  
+ATOM   3661  CA  TYR B 659     -20.436  -1.640   6.690  1.00 97.90           C  
+ATOM   3662  C   TYR B 659     -21.397  -1.156   5.611  1.00 97.90           C  
+ATOM   3663  CB  TYR B 659     -21.021  -1.355   8.077  1.00 97.90           C  
+ATOM   3664  O   TYR B 659     -21.467   0.042   5.326  1.00 97.90           O  
+ATOM   3665  CG  TYR B 659     -21.101  -2.573   8.964  1.00 97.90           C  
+ATOM   3666  CD1 TYR B 659     -22.012  -3.594   8.698  1.00 97.90           C  
+ATOM   3667  CD2 TYR B 659     -20.268  -2.706  10.070  1.00 97.90           C  
+ATOM   3668  CE1 TYR B 659     -22.091  -4.718   9.514  1.00 97.90           C  
+ATOM   3669  CE2 TYR B 659     -20.339  -3.826  10.893  1.00 97.90           C  
+ATOM   3670  OH  TYR B 659     -21.325  -5.935  11.418  1.00 97.90           O  
+ATOM   3671  CZ  TYR B 659     -21.251  -4.825  10.607  1.00 97.90           C  
+ATOM   3672  N   ALA B 660     -22.121  -2.152   5.068  1.00 97.61           N  
+ATOM   3673  CA  ALA B 660     -23.224  -1.758   4.195  1.00 97.61           C  
+ATOM   3674  C   ALA B 660     -24.404  -1.229   5.006  1.00 97.61           C  
+ATOM   3675  CB  ALA B 660     -23.663  -2.935   3.327  1.00 97.61           C  
+ATOM   3676  O   ALA B 660     -24.608  -1.635   6.152  1.00 97.61           O  
+ATOM   3677  N   PRO B 661     -25.231  -0.351   4.423  1.00 96.75           N  
+ATOM   3678  CA  PRO B 661     -26.343   0.259   5.156  1.00 96.75           C  
+ATOM   3679  C   PRO B 661     -27.338  -0.771   5.684  1.00 96.75           C  
+ATOM   3680  CB  PRO B 661     -26.998   1.166   4.112  1.00 96.75           C  
+ATOM   3681  O   PRO B 661     -27.919  -0.581   6.756  1.00 96.75           O  
+ATOM   3682  CG  PRO B 661     -25.893   1.526   3.171  1.00 96.75           C  
+ATOM   3683  CD  PRO B 661     -24.968   0.349   3.050  1.00 96.75           C  
+ATOM   3684  N   SER B 662     -27.460  -1.844   5.007  1.00 95.67           N  
+ATOM   3685  CA  SER B 662     -28.392  -2.889   5.415  1.00 95.67           C  
+ATOM   3686  C   SER B 662     -27.912  -3.597   6.678  1.00 95.67           C  
+ATOM   3687  CB  SER B 662     -28.580  -3.908   4.290  1.00 95.67           C  
+ATOM   3688  O   SER B 662     -28.711  -4.192   7.404  1.00 95.67           O  
+ATOM   3689  OG  SER B 662     -27.385  -4.637   4.067  1.00 95.67           O  
+ATOM   3690  N   GLY B 663     -26.568  -3.559   6.886  1.00 94.57           N  
+ATOM   3691  CA  GLY B 663     -25.954  -4.297   7.978  1.00 94.57           C  
+ATOM   3692  C   GLY B 663     -25.658  -5.743   7.628  1.00 94.57           C  
+ATOM   3693  O   GLY B 663     -25.163  -6.501   8.465  1.00 94.57           O  
+ATOM   3694  N   ASN B 664     -25.864  -6.075   6.382  1.00 94.33           N  
+ATOM   3695  CA  ASN B 664     -25.748  -7.466   5.955  1.00 94.33           C  
+ATOM   3696  C   ASN B 664     -24.387  -7.748   5.324  1.00 94.33           C  
+ATOM   3697  CB  ASN B 664     -26.870  -7.824   4.979  1.00 94.33           C  
+ATOM   3698  O   ASN B 664     -23.980  -8.905   5.207  1.00 94.33           O  
+ATOM   3699  CG  ASN B 664     -28.235  -7.840   5.639  1.00 94.33           C  
+ATOM   3700  ND2 ASN B 664     -29.278  -7.612   4.850  1.00 94.33           N  
+ATOM   3701  OD1 ASN B 664     -28.351  -8.055   6.848  1.00 94.33           O  
+ATOM   3702  N   TYR B 665     -23.721  -6.676   4.885  1.00 96.91           N  
+ATOM   3703  CA  TYR B 665     -22.445  -6.844   4.198  1.00 96.91           C  
+ATOM   3704  C   TYR B 665     -21.358  -6.000   4.852  1.00 96.91           C  
+ATOM   3705  CB  TYR B 665     -22.577  -6.470   2.719  1.00 96.91           C  
+ATOM   3706  O   TYR B 665     -21.637  -4.928   5.394  1.00 96.91           O  
+ATOM   3707  CG  TYR B 665     -23.612  -7.282   1.978  1.00 96.91           C  
+ATOM   3708  CD1 TYR B 665     -23.347  -8.590   1.580  1.00 96.91           C  
+ATOM   3709  CD2 TYR B 665     -24.857  -6.741   1.673  1.00 96.91           C  
+ATOM   3710  CE1 TYR B 665     -24.297  -9.341   0.896  1.00 96.91           C  
+ATOM   3711  CE2 TYR B 665     -25.814  -7.483   0.988  1.00 96.91           C  
+ATOM   3712  OH  TYR B 665     -26.470  -9.518  -0.073  1.00 96.91           O  
+ATOM   3713  CZ  TYR B 665     -25.526  -8.779   0.605  1.00 96.91           C  
+ATOM   3714  N   VAL B 666     -20.188  -6.567   4.800  1.00 98.14           N  
+ATOM   3715  CA  VAL B 666     -19.001  -5.775   5.107  1.00 98.14           C  
+ATOM   3716  C   VAL B 666     -17.982  -5.911   3.978  1.00 98.14           C  
+ATOM   3717  CB  VAL B 666     -18.368  -6.200   6.451  1.00 98.14           C  
+ATOM   3718  O   VAL B 666     -17.957  -6.924   3.275  1.00 98.14           O  
+ATOM   3719  CG1 VAL B 666     -19.308  -5.888   7.614  1.00 98.14           C  
+ATOM   3720  CG2 VAL B 666     -18.016  -7.687   6.428  1.00 98.14           C  
+ATOM   3721  N   ALA B 667     -17.271  -4.851   3.783  1.00 98.35           N  
+ATOM   3722  CA  ALA B 667     -16.240  -4.841   2.749  1.00 98.35           C  
+ATOM   3723  C   ALA B 667     -14.874  -4.504   3.340  1.00 98.35           C  
+ATOM   3724  CB  ALA B 667     -16.599  -3.848   1.647  1.00 98.35           C  
+ATOM   3725  O   ALA B 667     -14.786  -3.846   4.380  1.00 98.35           O  
+ATOM   3726  N   CYS B 668     -13.827  -5.043   2.671  1.00 98.14           N  
+ATOM   3727  CA  CYS B 668     -12.459  -4.676   3.020  1.00 98.14           C  
+ATOM   3728  C   CYS B 668     -11.588  -4.571   1.775  1.00 98.14           C  
+ATOM   3729  CB  CYS B 668     -11.860  -5.696   3.988  1.00 98.14           C  
+ATOM   3730  O   CYS B 668     -11.944  -5.093   0.717  1.00 98.14           O  
+ATOM   3731  SG  CYS B 668     -11.592  -7.325   3.255  1.00 98.14           S  
+ATOM   3732  N   GLY B 669     -10.528  -3.797   1.907  1.00 96.78           N  
+ATOM   3733  CA  GLY B 669      -9.533  -3.610   0.863  1.00 96.78           C  
+ATOM   3734  C   GLY B 669      -8.169  -3.224   1.402  1.00 96.78           C  
+ATOM   3735  O   GLY B 669      -8.056  -2.736   2.528  1.00 96.78           O  
+ATOM   3736  N   GLY B 670      -7.131  -3.477   0.527  1.00 94.97           N  
+ATOM   3737  CA  GLY B 670      -5.791  -3.172   1.002  1.00 94.97           C  
+ATOM   3738  C   GLY B 670      -4.739  -3.255  -0.088  1.00 94.97           C  
+ATOM   3739  O   GLY B 670      -4.938  -2.743  -1.191  1.00 94.97           O  
+ATOM   3740  N   LEU B 671      -3.584  -3.822   0.233  1.00 90.60           N  
+ATOM   3741  CA  LEU B 671      -2.412  -3.791  -0.635  1.00 90.60           C  
+ATOM   3742  C   LEU B 671      -2.530  -4.830  -1.745  1.00 90.60           C  
+ATOM   3743  CB  LEU B 671      -1.137  -4.037   0.176  1.00 90.60           C  
+ATOM   3744  O   LEU B 671      -1.718  -4.849  -2.673  1.00 90.60           O  
+ATOM   3745  CG  LEU B 671      -0.685  -2.897   1.090  1.00 90.60           C  
+ATOM   3746  CD1 LEU B 671       0.473  -3.353   1.972  1.00 90.60           C  
+ATOM   3747  CD2 LEU B 671      -0.289  -1.676   0.268  1.00 90.60           C  
+ATOM   3748  N   ASP B 672      -3.547  -5.633  -1.689  1.00 88.54           N  
+ATOM   3749  CA  ASP B 672      -3.733  -6.636  -2.733  1.00 88.54           C  
+ATOM   3750  C   ASP B 672      -4.561  -6.078  -3.889  1.00 88.54           C  
+ATOM   3751  CB  ASP B 672      -4.403  -7.887  -2.162  1.00 88.54           C  
+ATOM   3752  O   ASP B 672      -4.924  -6.812  -4.810  1.00 88.54           O  
+ATOM   3753  CG  ASP B 672      -5.749  -7.599  -1.521  1.00 88.54           C  
+ATOM   3754  OD1 ASP B 672      -6.170  -6.423  -1.488  1.00 88.54           O  
+ATOM   3755  OD2 ASP B 672      -6.394  -8.557  -1.043  1.00 88.54           O  
+ATOM   3756  N   ASN B 673      -4.977  -4.830  -3.755  1.00 91.99           N  
+ATOM   3757  CA  ASN B 673      -5.664  -4.068  -4.793  1.00 91.99           C  
+ATOM   3758  C   ASN B 673      -7.084  -4.581  -5.017  1.00 91.99           C  
+ATOM   3759  CB  ASN B 673      -4.872  -4.107  -6.101  1.00 91.99           C  
+ATOM   3760  O   ASN B 673      -7.704  -4.277  -6.038  1.00 91.99           O  
+ATOM   3761  CG  ASN B 673      -3.437  -3.649  -5.930  1.00 91.99           C  
+ATOM   3762  ND2 ASN B 673      -2.607  -3.911  -6.932  1.00 91.99           N  
+ATOM   3763  OD1 ASN B 673      -3.078  -3.065  -4.904  1.00 91.99           O  
+ATOM   3764  N   ILE B 674      -7.543  -5.456  -4.172  1.00 94.55           N  
+ATOM   3765  CA  ILE B 674      -8.853  -6.075  -4.345  1.00 94.55           C  
+ATOM   3766  C   ILE B 674      -9.786  -5.632  -3.221  1.00 94.55           C  
+ATOM   3767  CB  ILE B 674      -8.749  -7.617  -4.379  1.00 94.55           C  
+ATOM   3768  O   ILE B 674      -9.395  -5.615  -2.051  1.00 94.55           O  
+ATOM   3769  CG1 ILE B 674      -7.875  -8.068  -5.554  1.00 94.55           C  
+ATOM   3770  CG2 ILE B 674     -10.141  -8.250  -4.457  1.00 94.55           C  
+ATOM   3771  CD1 ILE B 674      -7.568  -9.559  -5.561  1.00 94.55           C  
+ATOM   3772  N   CYS B 675     -11.004  -5.234  -3.581  1.00 97.29           N  
+ATOM   3773  CA  CYS B 675     -12.069  -5.022  -2.606  1.00 97.29           C  
+ATOM   3774  C   CYS B 675     -12.921  -6.275  -2.448  1.00 97.29           C  
+ATOM   3775  CB  CYS B 675     -12.950  -3.844  -3.023  1.00 97.29           C  
+ATOM   3776  O   CYS B 675     -13.552  -6.727  -3.405  1.00 97.29           O  
+ATOM   3777  SG  CYS B 675     -14.276  -3.477  -1.853  1.00 97.29           S  
+ATOM   3778  N   SER B 676     -12.966  -6.818  -1.262  1.00 97.48           N  
+ATOM   3779  CA  SER B 676     -13.708  -8.039  -0.965  1.00 97.48           C  
+ATOM   3780  C   SER B 676     -14.973  -7.737  -0.168  1.00 97.48           C  
+ATOM   3781  CB  SER B 676     -12.832  -9.024  -0.190  1.00 97.48           C  
+ATOM   3782  O   SER B 676     -14.930  -6.998   0.818  1.00 97.48           O  
+ATOM   3783  OG  SER B 676     -11.685  -9.378  -0.945  1.00 97.48           O  
+ATOM   3784  N   ILE B 677     -16.074  -8.356  -0.583  1.00 97.51           N  
+ATOM   3785  CA  ILE B 677     -17.368  -8.186   0.070  1.00 97.51           C  
+ATOM   3786  C   ILE B 677     -17.758  -9.476   0.787  1.00 97.51           C  
+ATOM   3787  CB  ILE B 677     -18.463  -7.783  -0.944  1.00 97.51           C  
+ATOM   3788  O   ILE B 677     -17.700 -10.561   0.203  1.00 97.51           O  
+ATOM   3789  CG1 ILE B 677     -17.996  -6.593  -1.790  1.00 97.51           C  
+ATOM   3790  CG2 ILE B 677     -19.775  -7.461  -0.222  1.00 97.51           C  
+ATOM   3791  CD1 ILE B 677     -17.762  -5.319  -0.989  1.00 97.51           C  
+ATOM   3792  N   TYR B 678     -18.174  -9.326   2.047  1.00 96.30           N  
+ATOM   3793  CA  TYR B 678     -18.561 -10.469   2.866  1.00 96.30           C  
+ATOM   3794  C   TYR B 678     -20.028 -10.379   3.270  1.00 96.30           C  
+ATOM   3795  CB  TYR B 678     -17.680 -10.558   4.116  1.00 96.30           C  
+ATOM   3796  O   TYR B 678     -20.499  -9.319   3.688  1.00 96.30           O  
+ATOM   3797  CG  TYR B 678     -16.209 -10.705   3.813  1.00 96.30           C  
+ATOM   3798  CD1 TYR B 678     -15.609 -11.962   3.770  1.00 96.30           C  
+ATOM   3799  CD2 TYR B 678     -15.416  -9.589   3.570  1.00 96.30           C  
+ATOM   3800  CE1 TYR B 678     -14.253 -12.102   3.493  1.00 96.30           C  
+ATOM   3801  CE2 TYR B 678     -14.059  -9.717   3.292  1.00 96.30           C  
+ATOM   3802  OH  TYR B 678     -12.145 -11.109   2.980  1.00 96.30           O  
+ATOM   3803  CZ  TYR B 678     -13.488 -10.976   3.255  1.00 96.30           C  
+ATOM   3804  N   ASN B 679     -20.661 -11.501   3.153  1.00 94.30           N  
+ATOM   3805  CA  ASN B 679     -22.047 -11.614   3.596  1.00 94.30           C  
+ATOM   3806  C   ASN B 679     -22.138 -12.123   5.031  1.00 94.30           C  
+ATOM   3807  CB  ASN B 679     -22.837 -12.528   2.657  1.00 94.30           C  
+ATOM   3808  O   ASN B 679     -21.744 -13.255   5.319  1.00 94.30           O  
+ATOM   3809  CG  ASN B 679     -24.323 -12.531   2.959  1.00 94.30           C  
+ATOM   3810  ND2 ASN B 679     -25.123 -12.970   1.995  1.00 94.30           N  
+ATOM   3811  OD1 ASN B 679     -24.748 -12.141   4.050  1.00 94.30           O  
+ATOM   3812  N   LEU B 680     -22.733 -11.262   5.893  1.00 92.32           N  
+ATOM   3813  CA  LEU B 680     -22.764 -11.593   7.314  1.00 92.32           C  
+ATOM   3814  C   LEU B 680     -23.937 -12.515   7.631  1.00 92.32           C  
+ATOM   3815  CB  LEU B 680     -22.858 -10.320   8.159  1.00 92.32           C  
+ATOM   3816  O   LEU B 680     -23.967 -13.146   8.690  1.00 92.32           O  
+ATOM   3817  CG  LEU B 680     -21.692  -9.338   8.037  1.00 92.32           C  
+ATOM   3818  CD1 LEU B 680     -21.948  -8.102   8.893  1.00 92.32           C  
+ATOM   3819  CD2 LEU B 680     -20.382 -10.009   8.437  1.00 92.32           C  
+ATOM   3820  N   LYS B 681     -24.867 -12.662   6.729  1.00 84.62           N  
+ATOM   3821  CA  LYS B 681     -25.988 -13.572   6.945  1.00 84.62           C  
+ATOM   3822  C   LYS B 681     -25.690 -14.957   6.377  1.00 84.62           C  
+ATOM   3823  CB  LYS B 681     -27.264 -13.011   6.313  1.00 84.62           C  
+ATOM   3824  O   LYS B 681     -25.591 -15.127   5.160  1.00 84.62           O  
+ATOM   3825  CG  LYS B 681     -27.834 -11.803   7.041  1.00 84.62           C  
+ATOM   3826  CD  LYS B 681     -29.240 -11.472   6.557  1.00 84.62           C  
+ATOM   3827  CE  LYS B 681     -29.850 -10.325   7.351  1.00 84.62           C  
+ATOM   3828  NZ  LYS B 681     -31.237 -10.010   6.894  1.00 84.62           N  
+ATOM   3829  N   THR B 682     -25.073 -15.771   7.197  1.00 69.85           N  
+ATOM   3830  CA  THR B 682     -24.840 -17.106   6.657  1.00 69.85           C  
+ATOM   3831  C   THR B 682     -25.568 -18.160   7.486  1.00 69.85           C  
+ATOM   3832  CB  THR B 682     -23.336 -17.435   6.611  1.00 69.85           C  
+ATOM   3833  O   THR B 682     -25.741 -17.995   8.696  1.00 69.85           O  
+ATOM   3834  CG2 THR B 682     -22.563 -16.366   5.845  1.00 69.85           C  
+ATOM   3835  OG1 THR B 682     -22.828 -17.509   7.949  1.00 69.85           O  
+ATOM   3836  N   ARG B 683     -26.207 -19.065   6.810  1.00 62.79           N  
+ATOM   3837  CA  ARG B 683     -26.900 -20.188   7.432  1.00 62.79           C  
+ATOM   3838  C   ARG B 683     -25.927 -21.067   8.212  1.00 62.79           C  
+ATOM   3839  CB  ARG B 683     -27.629 -21.022   6.377  1.00 62.79           C  
+ATOM   3840  O   ARG B 683     -26.249 -21.543   9.302  1.00 62.79           O  
+ATOM   3841  CG  ARG B 683     -28.907 -20.381   5.861  1.00 62.79           C  
+ATOM   3842  CD  ARG B 683     -29.665 -21.310   4.922  1.00 62.79           C  
+ATOM   3843  NE  ARG B 683     -30.884 -20.686   4.415  1.00 62.79           N  
+ATOM   3844  NH1 ARG B 683     -31.623 -22.564   3.291  1.00 62.79           N  
+ATOM   3845  NH2 ARG B 683     -32.860 -20.634   3.245  1.00 62.79           N  
+ATOM   3846  CZ  ARG B 683     -31.786 -21.296   3.651  1.00 62.79           C  
+ATOM   3847  N   GLU B 684     -24.613 -21.119   7.739  1.00 64.91           N  
+ATOM   3848  CA  GLU B 684     -23.625 -22.076   8.226  1.00 64.91           C  
+ATOM   3849  C   GLU B 684     -22.723 -21.448   9.285  1.00 64.91           C  
+ATOM   3850  CB  GLU B 684     -22.781 -22.614   7.068  1.00 64.91           C  
+ATOM   3851  O   GLU B 684     -21.874 -22.127   9.866  1.00 64.91           O  
+ATOM   3852  CG  GLU B 684     -23.549 -23.519   6.115  1.00 64.91           C  
+ATOM   3853  CD  GLU B 684     -22.676 -24.123   5.027  1.00 64.91           C  
+ATOM   3854  OE1 GLU B 684     -23.187 -24.929   4.216  1.00 64.91           O  
+ATOM   3855  OE2 GLU B 684     -21.471 -23.789   4.985  1.00 64.91           O  
+ATOM   3856  N   GLY B 685     -23.005 -20.093   9.608  1.00 67.56           N  
+ATOM   3857  CA  GLY B 685     -22.241 -19.423  10.648  1.00 67.56           C  
+ATOM   3858  C   GLY B 685     -20.870 -18.970  10.184  1.00 67.56           C  
+ATOM   3859  O   GLY B 685     -20.244 -18.118  10.818  1.00 67.56           O  
+ATOM   3860  N   ASN B 686     -20.334 -19.582   8.983  1.00 75.39           N  
+ATOM   3861  CA  ASN B 686     -19.041 -19.113   8.494  1.00 75.39           C  
+ATOM   3862  C   ASN B 686     -19.204 -18.061   7.400  1.00 75.39           C  
+ATOM   3863  CB  ASN B 686     -18.204 -20.287   7.981  1.00 75.39           C  
+ATOM   3864  O   ASN B 686     -19.887 -18.297   6.402  1.00 75.39           O  
+ATOM   3865  CG  ASN B 686     -17.742 -21.206   9.095  1.00 75.39           C  
+ATOM   3866  ND2 ASN B 686     -17.456 -22.456   8.752  1.00 75.39           N  
+ATOM   3867  OD1 ASN B 686     -17.644 -20.795  10.254  1.00 75.39           O  
+ATOM   3868  N   VAL B 687     -18.720 -16.924   7.692  1.00 84.47           N  
+ATOM   3869  CA  VAL B 687     -18.796 -15.823   6.737  1.00 84.47           C  
+ATOM   3870  C   VAL B 687     -17.720 -15.992   5.667  1.00 84.47           C  
+ATOM   3871  CB  VAL B 687     -18.642 -14.454   7.437  1.00 84.47           C  
+ATOM   3872  O   VAL B 687     -16.532 -16.095   5.983  1.00 84.47           O  
+ATOM   3873  CG1 VAL B 687     -18.741 -13.315   6.423  1.00 84.47           C  
+ATOM   3874  CG2 VAL B 687     -19.697 -14.293   8.530  1.00 84.47           C  
+ATOM   3875  N   ARG B 688     -18.183 -16.161   4.413  1.00 84.07           N  
+ATOM   3876  CA  ARG B 688     -17.258 -16.269   3.290  1.00 84.07           C  
+ATOM   3877  C   ARG B 688     -17.390 -15.072   2.354  1.00 84.07           C  
+ATOM   3878  CB  ARG B 688     -17.499 -17.568   2.517  1.00 84.07           C  
+ATOM   3879  O   ARG B 688     -18.362 -14.318   2.437  1.00 84.07           O  
+ATOM   3880  CG  ARG B 688     -17.260 -18.826   3.337  1.00 84.07           C  
+ATOM   3881  CD  ARG B 688     -17.461 -20.086   2.507  1.00 84.07           C  
+ATOM   3882  NE  ARG B 688     -17.208 -21.292   3.289  1.00 84.07           N  
+ATOM   3883  NH1 ARG B 688     -17.504 -22.750   1.522  1.00 84.07           N  
+ATOM   3884  NH2 ARG B 688     -16.988 -23.557   3.604  1.00 84.07           N  
+ATOM   3885  CZ  ARG B 688     -17.234 -22.530   2.803  1.00 84.07           C  
+ATOM   3886  N   VAL B 689     -16.319 -14.991   1.566  1.00 87.25           N  
+ATOM   3887  CA  VAL B 689     -16.292 -13.891   0.608  1.00 87.25           C  
+ATOM   3888  C   VAL B 689     -17.457 -14.026  -0.369  1.00 87.25           C  
+ATOM   3889  CB  VAL B 689     -14.953 -13.842  -0.162  1.00 87.25           C  
+ATOM   3890  O   VAL B 689     -17.649 -15.084  -0.973  1.00 87.25           O  
+ATOM   3891  CG1 VAL B 689     -14.781 -15.091  -1.025  1.00 87.25           C  
+ATOM   3892  CG2 VAL B 689     -14.878 -12.581  -1.022  1.00 87.25           C  
+ATOM   3893  N   SER B 690     -18.268 -13.004  -0.528  1.00 89.31           N  
+ATOM   3894  CA  SER B 690     -19.388 -12.972  -1.463  1.00 89.31           C  
+ATOM   3895  C   SER B 690     -18.944 -12.493  -2.841  1.00 89.31           C  
+ATOM   3896  CB  SER B 690     -20.502 -12.066  -0.934  1.00 89.31           C  
+ATOM   3897  O   SER B 690     -19.297 -13.096  -3.857  1.00 89.31           O  
+ATOM   3898  OG  SER B 690     -21.588 -12.022  -1.844  1.00 89.31           O  
+ATOM   3899  N   ARG B 691     -18.111 -11.464  -2.840  1.00 93.28           N  
+ATOM   3900  CA  ARG B 691     -17.653 -10.881  -4.097  1.00 93.28           C  
+ATOM   3901  C   ARG B 691     -16.257 -10.286  -3.948  1.00 93.28           C  
+ATOM   3902  CB  ARG B 691     -18.631  -9.808  -4.581  1.00 93.28           C  
+ATOM   3903  O   ARG B 691     -15.932  -9.704  -2.911  1.00 93.28           O  
+ATOM   3904  CG  ARG B 691     -19.992 -10.352  -4.983  1.00 93.28           C  
+ATOM   3905  CD  ARG B 691     -19.925 -11.131  -6.290  1.00 93.28           C  
+ATOM   3906  NE  ARG B 691     -21.252 -11.531  -6.748  1.00 93.28           N  
+ATOM   3907  NH1 ARG B 691     -20.849 -13.800  -6.594  1.00 93.28           N  
+ATOM   3908  NH2 ARG B 691     -22.890 -13.040  -7.308  1.00 93.28           N  
+ATOM   3909  CZ  ARG B 691     -21.661 -12.789  -6.883  1.00 93.28           C  
+ATOM   3910  N   GLU B 692     -15.528 -10.406  -5.110  1.00 94.68           N  
+ATOM   3911  CA  GLU B 692     -14.227  -9.749  -5.197  1.00 94.68           C  
+ATOM   3912  C   GLU B 692     -14.181  -8.769  -6.366  1.00 94.68           C  
+ATOM   3913  CB  GLU B 692     -13.109 -10.785  -5.335  1.00 94.68           C  
+ATOM   3914  O   GLU B 692     -14.416  -9.152  -7.514  1.00 94.68           O  
+ATOM   3915  CG  GLU B 692     -12.897 -11.631  -4.088  1.00 94.68           C  
+ATOM   3916  CD  GLU B 692     -11.771 -12.642  -4.233  1.00 94.68           C  
+ATOM   3917  OE1 GLU B 692     -11.377 -13.262  -3.219  1.00 94.68           O  
+ATOM   3918  OE2 GLU B 692     -11.277 -12.814  -5.370  1.00 94.68           O  
+ATOM   3919  N   LEU B 693     -13.890  -7.594  -5.980  1.00 96.58           N  
+ATOM   3920  CA  LEU B 693     -13.846  -6.540  -6.987  1.00 96.58           C  
+ATOM   3921  C   LEU B 693     -12.405  -6.177  -7.332  1.00 96.58           C  
+ATOM   3922  CB  LEU B 693     -14.594  -5.297  -6.497  1.00 96.58           C  
+ATOM   3923  O   LEU B 693     -11.764  -5.411  -6.610  1.00 96.58           O  
+ATOM   3924  CG  LEU B 693     -15.967  -5.537  -5.867  1.00 96.58           C  
+ATOM   3925  CD1 LEU B 693     -16.552  -4.224  -5.357  1.00 96.58           C  
+ATOM   3926  CD2 LEU B 693     -16.908  -6.194  -6.870  1.00 96.58           C  
+ATOM   3927  N   ALA B 694     -11.904  -6.709  -8.481  1.00 92.85           N  
+ATOM   3928  CA  ALA B 694     -10.525  -6.526  -8.925  1.00 92.85           C  
+ATOM   3929  C   ALA B 694     -10.451  -5.552 -10.097  1.00 92.85           C  
+ATOM   3930  CB  ALA B 694      -9.908  -7.868  -9.313  1.00 92.85           C  
+ATOM   3931  O   ALA B 694     -11.087  -5.765 -11.132  1.00 92.85           O  
+ATOM   3932  N   GLY B 695      -9.901  -4.408  -9.989  1.00 87.67           N  
+ATOM   3933  CA  GLY B 695      -9.805  -3.433 -11.064  1.00 87.67           C  
+ATOM   3934  C   GLY B 695      -8.788  -2.342 -10.791  1.00 87.67           C  
+ATOM   3935  O   GLY B 695      -8.137  -1.847 -11.714  1.00 87.67           O  
+ATOM   3936  N   HIS B 696      -8.501  -2.105  -9.593  1.00 93.32           N  
+ATOM   3937  CA  HIS B 696      -7.497  -1.102  -9.257  1.00 93.32           C  
+ATOM   3938  C   HIS B 696      -6.088  -1.619  -9.529  1.00 93.32           C  
+ATOM   3939  CB  HIS B 696      -7.629  -0.681  -7.793  1.00 93.32           C  
+ATOM   3940  O   HIS B 696      -5.827  -2.817  -9.399  1.00 93.32           O  
+ATOM   3941  CG  HIS B 696      -8.683   0.354  -7.558  1.00 93.32           C  
+ATOM   3942  CD2 HIS B 696      -9.798   0.330  -6.791  1.00 93.32           C  
+ATOM   3943  ND1 HIS B 696      -8.654   1.594  -8.158  1.00 93.32           N  
+ATOM   3944  CE1 HIS B 696      -9.709   2.290  -7.767  1.00 93.32           C  
+ATOM   3945  NE2 HIS B 696     -10.419   1.546  -6.937  1.00 93.32           N  
+ATOM   3946  N   THR B 697      -5.171  -0.762  -9.987  1.00 89.24           N  
+ATOM   3947  CA  THR B 697      -3.782  -1.124 -10.247  1.00 89.24           C  
+ATOM   3948  C   THR B 697      -2.890  -0.719  -9.077  1.00 89.24           C  
+ATOM   3949  CB  THR B 697      -3.267  -0.467 -11.541  1.00 89.24           C  
+ATOM   3950  O   THR B 697      -1.663  -0.784  -9.174  1.00 89.24           O  
+ATOM   3951  CG2 THR B 697      -4.043  -0.962 -12.756  1.00 89.24           C  
+ATOM   3952  OG1 THR B 697      -3.415   0.955 -11.440  1.00 89.24           O  
+ATOM   3953  N   GLY B 698      -3.469  -0.158  -8.031  1.00 88.95           N  
+ATOM   3954  CA  GLY B 698      -2.806   0.207  -6.790  1.00 88.95           C  
+ATOM   3955  C   GLY B 698      -3.544  -0.276  -5.555  1.00 88.95           C  
+ATOM   3956  O   GLY B 698      -4.598  -0.906  -5.662  1.00 88.95           O  
+ATOM   3957  N   TYR B 699      -2.978  -0.033  -4.327  1.00 93.28           N  
+ATOM   3958  CA  TYR B 699      -3.601  -0.505  -3.096  1.00 93.28           C  
+ATOM   3959  C   TYR B 699      -4.884   0.264  -2.804  1.00 93.28           C  
+ATOM   3960  CB  TYR B 699      -2.632  -0.371  -1.917  1.00 93.28           C  
+ATOM   3961  O   TYR B 699      -5.040   1.409  -3.234  1.00 93.28           O  
+ATOM   3962  CG  TYR B 699      -2.156   1.042  -1.680  1.00 93.28           C  
+ATOM   3963  CD1 TYR B 699      -0.962   1.498  -2.235  1.00 93.28           C  
+ATOM   3964  CD2 TYR B 699      -2.898   1.923  -0.901  1.00 93.28           C  
+ATOM   3965  CE1 TYR B 699      -0.519   2.798  -2.018  1.00 93.28           C  
+ATOM   3966  CE2 TYR B 699      -2.464   3.226  -0.677  1.00 93.28           C  
+ATOM   3967  OH  TYR B 699      -0.842   4.942  -1.021  1.00 93.28           O  
+ATOM   3968  CZ  TYR B 699      -1.276   3.654  -1.240  1.00 93.28           C  
+ATOM   3969  N   LEU B 700      -5.783  -0.423  -2.141  1.00 97.18           N  
+ATOM   3970  CA  LEU B 700      -7.022   0.222  -1.720  1.00 97.18           C  
+ATOM   3971  C   LEU B 700      -6.841   0.922  -0.377  1.00 97.18           C  
+ATOM   3972  CB  LEU B 700      -8.156  -0.802  -1.627  1.00 97.18           C  
+ATOM   3973  O   LEU B 700      -6.440   0.293   0.606  1.00 97.18           O  
+ATOM   3974  CG  LEU B 700      -8.977  -1.022  -2.899  1.00 97.18           C  
+ATOM   3975  CD1 LEU B 700      -8.103  -1.619  -3.997  1.00 97.18           C  
+ATOM   3976  CD2 LEU B 700     -10.175  -1.921  -2.614  1.00 97.18           C  
+ATOM   3977  N   SER B 701      -7.099   2.205  -0.384  1.00 96.99           N  
+ATOM   3978  CA  SER B 701      -6.890   3.003   0.819  1.00 96.99           C  
+ATOM   3979  C   SER B 701      -8.195   3.201   1.584  1.00 96.99           C  
+ATOM   3980  CB  SER B 701      -6.286   4.362   0.464  1.00 96.99           C  
+ATOM   3981  O   SER B 701      -8.184   3.382   2.804  1.00 96.99           O  
+ATOM   3982  OG  SER B 701      -7.114   5.056  -0.454  1.00 96.99           O  
+ATOM   3983  N   CYS B 702      -9.385   3.274   0.982  1.00 98.11           N  
+ATOM   3984  CA  CYS B 702     -10.674   3.499   1.627  1.00 98.11           C  
+ATOM   3985  C   CYS B 702     -11.814   2.971   0.766  1.00 98.11           C  
+ATOM   3986  CB  CYS B 702     -10.881   4.987   1.907  1.00 98.11           C  
+ATOM   3987  O   CYS B 702     -11.717   2.961  -0.463  1.00 98.11           O  
+ATOM   3988  SG  CYS B 702     -12.252   5.333   3.031  1.00 98.11           S  
+ATOM   3989  N   CYS B 703     -12.904   2.459   1.453  1.00 98.30           N  
+ATOM   3990  CA  CYS B 703     -14.102   2.016   0.748  1.00 98.30           C  
+ATOM   3991  C   CYS B 703     -15.360   2.396   1.519  1.00 98.30           C  
+ATOM   3992  CB  CYS B 703     -14.065   0.505   0.526  1.00 98.30           C  
+ATOM   3993  O   CYS B 703     -15.372   2.364   2.751  1.00 98.30           O  
+ATOM   3994  SG  CYS B 703     -14.075  -0.456   2.055  1.00 98.30           S  
+ATOM   3995  N   ARG B 704     -16.449   2.809   0.799  1.00 98.34           N  
+ATOM   3996  CA  ARG B 704     -17.730   3.187   1.389  1.00 98.34           C  
+ATOM   3997  C   ARG B 704     -18.892   2.736   0.509  1.00 98.34           C  
+ATOM   3998  CB  ARG B 704     -17.795   4.700   1.608  1.00 98.34           C  
+ATOM   3999  O   ARG B 704     -18.897   2.987  -0.697  1.00 98.34           O  
+ATOM   4000  CG  ARG B 704     -16.828   5.211   2.664  1.00 98.34           C  
+ATOM   4001  CD  ARG B 704     -17.248   4.789   4.065  1.00 98.34           C  
+ATOM   4002  NE  ARG B 704     -16.384   5.376   5.086  1.00 98.34           N  
+ATOM   4003  NH1 ARG B 704     -14.814   3.683   5.026  1.00 98.34           N  
+ATOM   4004  NH2 ARG B 704     -14.540   5.456   6.452  1.00 98.34           N  
+ATOM   4005  CZ  ARG B 704     -15.248   4.837   5.519  1.00 98.34           C  
+ATOM   4006  N   PHE B 705     -19.881   2.022   1.120  1.00 98.44           N  
+ATOM   4007  CA  PHE B 705     -21.089   1.600   0.420  1.00 98.44           C  
+ATOM   4008  C   PHE B 705     -22.003   2.790   0.153  1.00 98.44           C  
+ATOM   4009  CB  PHE B 705     -21.836   0.535   1.228  1.00 98.44           C  
+ATOM   4010  O   PHE B 705     -22.307   3.563   1.064  1.00 98.44           O  
+ATOM   4011  CG  PHE B 705     -21.188  -0.823   1.186  1.00 98.44           C  
+ATOM   4012  CD1 PHE B 705     -21.489  -1.721   0.169  1.00 98.44           C  
+ATOM   4013  CD2 PHE B 705     -20.279  -1.202   2.164  1.00 98.44           C  
+ATOM   4014  CE1 PHE B 705     -20.891  -2.979   0.127  1.00 98.44           C  
+ATOM   4015  CE2 PHE B 705     -19.677  -2.457   2.130  1.00 98.44           C  
+ATOM   4016  CZ  PHE B 705     -19.986  -3.344   1.111  1.00 98.44           C  
+ATOM   4017  N   LEU B 706     -22.401   2.942  -1.115  1.00 97.54           N  
+ATOM   4018  CA  LEU B 706     -23.492   3.861  -1.420  1.00 97.54           C  
+ATOM   4019  C   LEU B 706     -24.834   3.269  -1.000  1.00 97.54           C  
+ATOM   4020  CB  LEU B 706     -23.513   4.193  -2.914  1.00 97.54           C  
+ATOM   4021  O   LEU B 706     -25.678   3.970  -0.438  1.00 97.54           O  
+ATOM   4022  CG  LEU B 706     -22.378   5.081  -3.427  1.00 97.54           C  
+ATOM   4023  CD1 LEU B 706     -22.430   5.181  -4.948  1.00 97.54           C  
+ATOM   4024  CD2 LEU B 706     -22.453   6.465  -2.791  1.00 97.54           C  
+ATOM   4025  N   ASP B 707     -24.973   2.083  -1.348  1.00 97.30           N  
+ATOM   4026  CA  ASP B 707     -26.059   1.181  -0.976  1.00 97.30           C  
+ATOM   4027  C   ASP B 707     -25.592  -0.273  -0.980  1.00 97.30           C  
+ATOM   4028  CB  ASP B 707     -27.248   1.355  -1.923  1.00 97.30           C  
+ATOM   4029  O   ASP B 707     -24.394  -0.545  -1.073  1.00 97.30           O  
+ATOM   4030  CG  ASP B 707     -26.891   1.098  -3.376  1.00 97.30           C  
+ATOM   4031  OD1 ASP B 707     -26.214   0.089  -3.669  1.00 97.30           O  
+ATOM   4032  OD2 ASP B 707     -27.288   1.914  -4.237  1.00 97.30           O  
+ATOM   4033  N   ASP B 708     -26.482  -1.208  -0.859  1.00 96.62           N  
+ATOM   4034  CA  ASP B 708     -26.082  -2.606  -0.735  1.00 96.62           C  
+ATOM   4035  C   ASP B 708     -25.578  -3.153  -2.069  1.00 96.62           C  
+ATOM   4036  CB  ASP B 708     -27.249  -3.455  -0.226  1.00 96.62           C  
+ATOM   4037  O   ASP B 708     -24.928  -4.200  -2.111  1.00 96.62           O  
+ATOM   4038  CG  ASP B 708     -27.430  -3.373   1.279  1.00 96.62           C  
+ATOM   4039  OD1 ASP B 708     -26.893  -2.435   1.908  1.00 96.62           O  
+ATOM   4040  OD2 ASP B 708     -28.113  -4.255   1.843  1.00 96.62           O  
+ATOM   4041  N   ASN B 709     -25.732  -2.365  -3.156  1.00 97.59           N  
+ATOM   4042  CA  ASN B 709     -25.382  -2.864  -4.481  1.00 97.59           C  
+ATOM   4043  C   ASN B 709     -24.217  -2.084  -5.084  1.00 97.59           C  
+ATOM   4044  CB  ASN B 709     -26.595  -2.811  -5.413  1.00 97.59           C  
+ATOM   4045  O   ASN B 709     -23.680  -2.468  -6.125  1.00 97.59           O  
+ATOM   4046  CG  ASN B 709     -27.691  -3.773  -5.000  1.00 97.59           C  
+ATOM   4047  ND2 ASN B 709     -28.939  -3.386  -5.235  1.00 97.59           N  
+ATOM   4048  OD1 ASN B 709     -27.418  -4.855  -4.473  1.00 97.59           O  
+ATOM   4049  N   GLN B 710     -23.919  -1.009  -4.447  1.00 98.20           N  
+ATOM   4050  CA  GLN B 710     -22.863  -0.165  -4.997  1.00 98.20           C  
+ATOM   4051  C   GLN B 710     -21.879   0.262  -3.912  1.00 98.20           C  
+ATOM   4052  CB  GLN B 710     -23.461   1.067  -5.678  1.00 98.20           C  
+ATOM   4053  O   GLN B 710     -22.282   0.582  -2.792  1.00 98.20           O  
+ATOM   4054  CG  GLN B 710     -24.288   0.746  -6.915  1.00 98.20           C  
+ATOM   4055  CD  GLN B 710     -24.827   1.987  -7.600  1.00 98.20           C  
+ATOM   4056  NE2 GLN B 710     -25.010   1.908  -8.914  1.00 98.20           N  
+ATOM   4057  OE1 GLN B 710     -25.078   3.010  -6.954  1.00 98.20           O  
+ATOM   4058  N   ILE B 711     -20.567   0.312  -4.309  1.00 98.61           N  
+ATOM   4059  CA  ILE B 711     -19.519   0.715  -3.377  1.00 98.61           C  
+ATOM   4060  C   ILE B 711     -18.503   1.599  -4.095  1.00 98.61           C  
+ATOM   4061  CB  ILE B 711     -18.817  -0.510  -2.751  1.00 98.61           C  
+ATOM   4062  O   ILE B 711     -18.228   1.403  -5.282  1.00 98.61           O  
+ATOM   4063  CG1 ILE B 711     -17.916  -0.074  -1.590  1.00 98.61           C  
+ATOM   4064  CG2 ILE B 711     -18.014  -1.271  -3.810  1.00 98.61           C  
+ATOM   4065  CD1 ILE B 711     -17.392  -1.228  -0.746  1.00 98.61           C  
+ATOM   4066  N   VAL B 712     -18.013   2.602  -3.386  1.00 98.55           N  
+ATOM   4067  CA  VAL B 712     -16.962   3.475  -3.897  1.00 98.55           C  
+ATOM   4068  C   VAL B 712     -15.639   3.151  -3.207  1.00 98.55           C  
+ATOM   4069  CB  VAL B 712     -17.315   4.966  -3.696  1.00 98.55           C  
+ATOM   4070  O   VAL B 712     -15.597   2.960  -1.989  1.00 98.55           O  
+ATOM   4071  CG1 VAL B 712     -16.200   5.862  -4.231  1.00 98.55           C  
+ATOM   4072  CG2 VAL B 712     -18.642   5.295  -4.378  1.00 98.55           C  
+ATOM   4073  N   THR B 713     -14.543   3.117  -4.038  1.00 98.70           N  
+ATOM   4074  CA  THR B 713     -13.220   2.815  -3.502  1.00 98.70           C  
+ATOM   4075  C   THR B 713     -12.214   3.888  -3.907  1.00 98.70           C  
+ATOM   4076  CB  THR B 713     -12.725   1.437  -3.978  1.00 98.70           C  
+ATOM   4077  O   THR B 713     -12.372   4.534  -4.945  1.00 98.70           O  
+ATOM   4078  CG2 THR B 713     -13.660   0.325  -3.513  1.00 98.70           C  
+ATOM   4079  OG1 THR B 713     -12.664   1.426  -5.410  1.00 98.70           O  
+ATOM   4080  N   SER B 714     -11.257   4.165  -3.030  1.00 98.35           N  
+ATOM   4081  CA  SER B 714     -10.100   4.994  -3.350  1.00 98.35           C  
+ATOM   4082  C   SER B 714      -8.818   4.168  -3.375  1.00 98.35           C  
+ATOM   4083  CB  SER B 714      -9.962   6.134  -2.340  1.00 98.35           C  
+ATOM   4084  O   SER B 714      -8.683   3.200  -2.625  1.00 98.35           O  
+ATOM   4085  OG  SER B 714      -9.673   5.629  -1.047  1.00 98.35           O  
+ATOM   4086  N   SER B 715      -7.815   4.625  -4.247  1.00 97.93           N  
+ATOM   4087  CA  SER B 715      -6.698   3.719  -4.493  1.00 97.93           C  
+ATOM   4088  C   SER B 715      -5.396   4.488  -4.694  1.00 97.93           C  
+ATOM   4089  CB  SER B 715      -6.976   2.844  -5.716  1.00 97.93           C  
+ATOM   4090  O   SER B 715      -5.415   5.694  -4.947  1.00 97.93           O  
+ATOM   4091  OG  SER B 715      -5.836   2.072  -6.052  1.00 97.93           O  
+ATOM   4092  N   GLY B 716      -4.301   3.784  -4.496  1.00 93.72           N  
+ATOM   4093  CA  GLY B 716      -2.968   4.303  -4.757  1.00 93.72           C  
+ATOM   4094  C   GLY B 716      -2.671   4.471  -6.235  1.00 93.72           C  
+ATOM   4095  O   GLY B 716      -1.576   4.894  -6.610  1.00 93.72           O  
+ATOM   4096  N   ASP B 717      -3.517   4.109  -7.047  1.00 93.80           N  
+ATOM   4097  CA  ASP B 717      -3.380   4.318  -8.485  1.00 93.80           C  
+ATOM   4098  C   ASP B 717      -3.878   5.705  -8.888  1.00 93.80           C  
+ATOM   4099  CB  ASP B 717      -4.143   3.241  -9.259  1.00 93.80           C  
+ATOM   4100  O   ASP B 717      -4.097   5.972 -10.071  1.00 93.80           O  
+ATOM   4101  CG  ASP B 717      -5.641   3.287  -9.020  1.00 93.80           C  
+ATOM   4102  OD1 ASP B 717      -6.135   4.274  -8.433  1.00 93.80           O  
+ATOM   4103  OD2 ASP B 717      -6.334   2.326  -9.419  1.00 93.80           O  
+ATOM   4104  N   THR B 718      -4.140   6.497  -7.944  1.00 96.62           N  
+ATOM   4105  CA  THR B 718      -4.484   7.910  -8.058  1.00 96.62           C  
+ATOM   4106  C   THR B 718      -5.951   8.080  -8.444  1.00 96.62           C  
+ATOM   4107  CB  THR B 718      -3.593   8.621  -9.093  1.00 96.62           C  
+ATOM   4108  O   THR B 718      -6.374   9.171  -8.832  1.00 96.62           O  
+ATOM   4109  CG2 THR B 718      -2.115   8.405  -8.786  1.00 96.62           C  
+ATOM   4110  OG1 THR B 718      -3.879   8.104 -10.398  1.00 96.62           O  
+ATOM   4111  N   THR B 719      -6.763   7.026  -8.412  1.00 97.88           N  
+ATOM   4112  CA  THR B 719      -8.152   7.106  -8.849  1.00 97.88           C  
+ATOM   4113  C   THR B 719      -9.093   6.623  -7.749  1.00 97.88           C  
+ATOM   4114  CB  THR B 719      -8.384   6.280 -10.127  1.00 97.88           C  
+ATOM   4115  O   THR B 719      -8.658   5.987  -6.787  1.00 97.88           O  
+ATOM   4116  CG2 THR B 719      -7.407   6.681 -11.227  1.00 97.88           C  
+ATOM   4117  OG1 THR B 719      -8.206   4.889  -9.829  1.00 97.88           O  
+ATOM   4118  N   CYS B 720     -10.361   7.027  -7.804  1.00 98.43           N  
+ATOM   4119  CA  CYS B 720     -11.504   6.406  -7.145  1.00 98.43           C  
+ATOM   4120  C   CYS B 720     -12.359   5.636  -8.145  1.00 98.43           C  
+ATOM   4121  CB  CYS B 720     -12.355   7.462  -6.440  1.00 98.43           C  
+ATOM   4122  O   CYS B 720     -12.309   5.904  -9.346  1.00 98.43           O  
+ATOM   4123  SG  CYS B 720     -11.453   8.416  -5.200  1.00 98.43           S  
+ATOM   4124  N   ALA B 721     -13.057   4.651  -7.609  1.00 98.24           N  
+ATOM   4125  CA  ALA B 721     -13.875   3.845  -8.512  1.00 98.24           C  
+ATOM   4126  C   ALA B 721     -15.225   3.515  -7.882  1.00 98.24           C  
+ATOM   4127  CB  ALA B 721     -13.141   2.562  -8.892  1.00 98.24           C  
+ATOM   4128  O   ALA B 721     -15.313   3.280  -6.674  1.00 98.24           O  
+ATOM   4129  N   LEU B 722     -16.237   3.581  -8.721  1.00 98.43           N  
+ATOM   4130  CA  LEU B 722     -17.568   3.099  -8.368  1.00 98.43           C  
+ATOM   4131  C   LEU B 722     -17.799   1.693  -8.912  1.00 98.43           C  
+ATOM   4132  CB  LEU B 722     -18.643   4.049  -8.902  1.00 98.43           C  
+ATOM   4133  O   LEU B 722     -17.569   1.436 -10.096  1.00 98.43           O  
+ATOM   4134  CG  LEU B 722     -20.094   3.668  -8.605  1.00 98.43           C  
+ATOM   4135  CD1 LEU B 722     -20.360   3.724  -7.105  1.00 98.43           C  
+ATOM   4136  CD2 LEU B 722     -21.052   4.584  -9.358  1.00 98.43           C  
+ATOM   4137  N   TRP B 723     -18.324   0.812  -7.974  1.00 98.39           N  
+ATOM   4138  CA  TRP B 723     -18.463  -0.594  -8.337  1.00 98.39           C  
+ATOM   4139  C   TRP B 723     -19.915  -1.045  -8.221  1.00 98.39           C  
+ATOM   4140  CB  TRP B 723     -17.571  -1.470  -7.452  1.00 98.39           C  
+ATOM   4141  O   TRP B 723     -20.630  -0.628  -7.307  1.00 98.39           O  
+ATOM   4142  CG  TRP B 723     -16.125  -1.076  -7.467  1.00 98.39           C  
+ATOM   4143  CD1 TRP B 723     -15.538  -0.068  -6.753  1.00 98.39           C  
+ATOM   4144  CD2 TRP B 723     -15.083  -1.680  -8.239  1.00 98.39           C  
+ATOM   4145  CE2 TRP B 723     -13.888  -0.988  -7.942  1.00 98.39           C  
+ATOM   4146  CE3 TRP B 723     -15.044  -2.742  -9.153  1.00 98.39           C  
+ATOM   4147  NE1 TRP B 723     -14.192  -0.011  -7.034  1.00 98.39           N  
+ATOM   4148  CH2 TRP B 723     -12.655  -2.367  -9.420  1.00 98.39           C  
+ATOM   4149  CZ2 TRP B 723     -12.665  -1.325  -8.529  1.00 98.39           C  
+ATOM   4150  CZ3 TRP B 723     -13.826  -3.075  -9.735  1.00 98.39           C  
+ATOM   4151  N   ASP B 724     -20.268  -1.861  -9.211  1.00 97.64           N  
+ATOM   4152  CA  ASP B 724     -21.474  -2.672  -9.084  1.00 97.64           C  
+ATOM   4153  C   ASP B 724     -21.160  -4.028  -8.456  1.00 97.64           C  
+ATOM   4154  CB  ASP B 724     -22.136  -2.867 -10.450  1.00 97.64           C  
+ATOM   4155  O   ASP B 724     -20.471  -4.853  -9.059  1.00 97.64           O  
+ATOM   4156  CG  ASP B 724     -23.472  -3.583 -10.365  1.00 97.64           C  
+ATOM   4157  OD1 ASP B 724     -23.497  -4.793 -10.050  1.00 97.64           O  
+ATOM   4158  OD2 ASP B 724     -24.510  -2.933 -10.617  1.00 97.64           O  
+ATOM   4159  N   ILE B 725     -21.730  -4.221  -7.268  1.00 97.16           N  
+ATOM   4160  CA  ILE B 725     -21.325  -5.369  -6.465  1.00 97.16           C  
+ATOM   4161  C   ILE B 725     -21.869  -6.653  -7.088  1.00 97.16           C  
+ATOM   4162  CB  ILE B 725     -21.809  -5.236  -5.003  1.00 97.16           C  
+ATOM   4163  O   ILE B 725     -21.174  -7.671  -7.135  1.00 97.16           O  
+ATOM   4164  CG1 ILE B 725     -21.113  -4.057  -4.315  1.00 97.16           C  
+ATOM   4165  CG2 ILE B 725     -21.570  -6.539  -4.234  1.00 97.16           C  
+ATOM   4166  CD1 ILE B 725     -21.652  -3.743  -2.927  1.00 97.16           C  
+ATOM   4167  N   GLU B 726     -23.025  -6.602  -7.649  1.00 94.71           N  
+ATOM   4168  CA  GLU B 726     -23.641  -7.779  -8.255  1.00 94.71           C  
+ATOM   4169  C   GLU B 726     -22.843  -8.259  -9.464  1.00 94.71           C  
+ATOM   4170  CB  GLU B 726     -25.085  -7.480  -8.664  1.00 94.71           C  
+ATOM   4171  O   GLU B 726     -22.539  -9.448  -9.582  1.00 94.71           O  
+ATOM   4172  CG  GLU B 726     -25.842  -8.694  -9.182  1.00 94.71           C  
+ATOM   4173  CD  GLU B 726     -27.317  -8.421  -9.431  1.00 94.71           C  
+ATOM   4174  OE1 GLU B 726     -28.046  -9.352  -9.842  1.00 94.71           O  
+ATOM   4175  OE2 GLU B 726     -27.747  -7.266  -9.215  1.00 94.71           O  
+ATOM   4176  N   THR B 727     -22.449  -7.362 -10.313  1.00 95.35           N  
+ATOM   4177  CA  THR B 727     -21.759  -7.735 -11.543  1.00 95.35           C  
+ATOM   4178  C   THR B 727     -20.250  -7.788 -11.322  1.00 95.35           C  
+ATOM   4179  CB  THR B 727     -22.080  -6.750 -12.683  1.00 95.35           C  
+ATOM   4180  O   THR B 727     -19.523  -8.392 -12.113  1.00 95.35           O  
+ATOM   4181  CG2 THR B 727     -23.582  -6.670 -12.935  1.00 95.35           C  
+ATOM   4182  OG1 THR B 727     -21.596  -5.448 -12.332  1.00 95.35           O  
+ATOM   4183  N   GLY B 728     -19.700  -7.189 -10.256  1.00 94.48           N  
+ATOM   4184  CA  GLY B 728     -18.274  -7.131  -9.975  1.00 94.48           C  
+ATOM   4185  C   GLY B 728     -17.524  -6.177 -10.885  1.00 94.48           C  
+ATOM   4186  O   GLY B 728     -16.294  -6.207 -10.945  1.00 94.48           O  
+ATOM   4187  N   GLN B 729     -18.295  -5.345 -11.598  1.00 94.85           N  
+ATOM   4188  CA  GLN B 729     -17.692  -4.460 -12.589  1.00 94.85           C  
+ATOM   4189  C   GLN B 729     -17.510  -3.051 -12.032  1.00 94.85           C  
+ATOM   4190  CB  GLN B 729     -18.543  -4.416 -13.859  1.00 94.85           C  
+ATOM   4191  O   GLN B 729     -18.329  -2.581 -11.239  1.00 94.85           O  
+ATOM   4192  CG  GLN B 729     -18.573  -5.732 -14.625  1.00 94.85           C  
+ATOM   4193  CD  GLN B 729     -17.237  -6.073 -15.258  1.00 94.85           C  
+ATOM   4194  NE2 GLN B 729     -16.998  -7.361 -15.481  1.00 94.85           N  
+ATOM   4195  OE1 GLN B 729     -16.427  -5.186 -15.546  1.00 94.85           O  
+ATOM   4196  N   GLN B 730     -16.355  -2.518 -12.532  1.00 95.26           N  
+ATOM   4197  CA  GLN B 730     -16.158  -1.090 -12.308  1.00 95.26           C  
+ATOM   4198  C   GLN B 730     -17.069  -0.261 -13.210  1.00 95.26           C  
+ATOM   4199  CB  GLN B 730     -14.697  -0.706 -12.542  1.00 95.26           C  
+ATOM   4200  O   GLN B 730     -16.908  -0.262 -14.432  1.00 95.26           O  
+ATOM   4201  CG  GLN B 730     -14.364   0.724 -12.138  1.00 95.26           C  
+ATOM   4202  CD  GLN B 730     -12.906   1.076 -12.369  1.00 95.26           C  
+ATOM   4203  NE2 GLN B 730     -12.650   2.322 -12.752  1.00 95.26           N  
+ATOM   4204  OE1 GLN B 730     -12.017   0.234 -12.204  1.00 95.26           O  
+ATOM   4205  N   THR B 731     -18.042   0.520 -12.599  1.00 96.50           N  
+ATOM   4206  CA  THR B 731     -19.013   1.261 -13.397  1.00 96.50           C  
+ATOM   4207  C   THR B 731     -18.462   2.630 -13.784  1.00 96.50           C  
+ATOM   4208  CB  THR B 731     -20.342   1.435 -12.639  1.00 96.50           C  
+ATOM   4209  O   THR B 731     -18.644   3.081 -14.917  1.00 96.50           O  
+ATOM   4210  CG2 THR B 731     -21.048   0.097 -12.452  1.00 96.50           C  
+ATOM   4211  OG1 THR B 731     -20.080   2.009 -11.352  1.00 96.50           O  
+ATOM   4212  N   THR B 732     -17.787   3.289 -12.858  1.00 97.22           N  
+ATOM   4213  CA  THR B 732     -17.233   4.617 -13.096  1.00 97.22           C  
+ATOM   4214  C   THR B 732     -15.838   4.738 -12.488  1.00 97.22           C  
+ATOM   4215  CB  THR B 732     -18.145   5.714 -12.517  1.00 97.22           C  
+ATOM   4216  O   THR B 732     -15.608   4.305 -11.357  1.00 97.22           O  
+ATOM   4217  CG2 THR B 732     -17.638   7.104 -12.889  1.00 97.22           C  
+ATOM   4218  OG1 THR B 732     -19.471   5.547 -13.034  1.00 97.22           O  
+ATOM   4219  N   THR B 733     -14.933   5.309 -13.239  1.00 97.53           N  
+ATOM   4220  CA  THR B 733     -13.614   5.658 -12.722  1.00 97.53           C  
+ATOM   4221  C   THR B 733     -13.474   7.171 -12.575  1.00 97.53           C  
+ATOM   4222  CB  THR B 733     -12.496   5.124 -13.636  1.00 97.53           C  
+ATOM   4223  O   THR B 733     -13.673   7.915 -13.538  1.00 97.53           O  
+ATOM   4224  CG2 THR B 733     -11.119   5.467 -13.079  1.00 97.53           C  
+ATOM   4225  OG1 THR B 733     -12.615   3.700 -13.743  1.00 97.53           O  
+ATOM   4226  N   PHE B 734     -13.163   7.586 -11.357  1.00 98.04           N  
+ATOM   4227  CA  PHE B 734     -12.977   9.003 -11.066  1.00 98.04           C  
+ATOM   4228  C   PHE B 734     -11.501   9.377 -11.115  1.00 98.04           C  
+ATOM   4229  CB  PHE B 734     -13.563   9.352  -9.694  1.00 98.04           C  
+ATOM   4230  O   PHE B 734     -10.742   9.052 -10.199  1.00 98.04           O  
+ATOM   4231  CG  PHE B 734     -15.008   8.966  -9.534  1.00 98.04           C  
+ATOM   4232  CD1 PHE B 734     -16.021   9.841  -9.906  1.00 98.04           C  
+ATOM   4233  CD2 PHE B 734     -15.354   7.726  -9.013  1.00 98.04           C  
+ATOM   4234  CE1 PHE B 734     -17.360   9.486  -9.759  1.00 98.04           C  
+ATOM   4235  CE2 PHE B 734     -16.690   7.364  -8.863  1.00 98.04           C  
+ATOM   4236  CZ  PHE B 734     -17.691   8.246  -9.236  1.00 98.04           C  
+ATOM   4237  N   THR B 735     -11.100  10.159 -12.212  1.00 96.27           N  
+ATOM   4238  CA  THR B 735      -9.712  10.535 -12.455  1.00 96.27           C  
+ATOM   4239  C   THR B 735      -9.514  12.034 -12.247  1.00 96.27           C  
+ATOM   4240  CB  THR B 735      -9.270  10.150 -13.879  1.00 96.27           C  
+ATOM   4241  O   THR B 735     -10.338  12.841 -12.681  1.00 96.27           O  
+ATOM   4242  CG2 THR B 735      -9.363   8.643 -14.095  1.00 96.27           C  
+ATOM   4243  OG1 THR B 735     -10.113  10.811 -14.830  1.00 96.27           O  
+ATOM   4244  N   GLY B 736      -8.549  12.464 -11.500  1.00 92.80           N  
+ATOM   4245  CA  GLY B 736      -8.275  13.870 -11.251  1.00 92.80           C  
+ATOM   4246  C   GLY B 736      -7.151  14.092 -10.257  1.00 92.80           C  
+ATOM   4247  O   GLY B 736      -6.368  15.033 -10.397  1.00 92.80           O  
+ATOM   4248  N   HIS B 737      -6.937  13.194  -9.360  1.00 96.52           N  
+ATOM   4249  CA  HIS B 737      -5.842  13.312  -8.404  1.00 96.52           C  
+ATOM   4250  C   HIS B 737      -4.506  12.959  -9.049  1.00 96.52           C  
+ATOM   4251  CB  HIS B 737      -6.092  12.415  -7.190  1.00 96.52           C  
+ATOM   4252  O   HIS B 737      -4.456  12.150  -9.979  1.00 96.52           O  
+ATOM   4253  CG  HIS B 737      -7.031  13.009  -6.188  1.00 96.52           C  
+ATOM   4254  CD2 HIS B 737      -8.270  12.629  -5.797  1.00 96.52           C  
+ATOM   4255  ND1 HIS B 737      -6.725  14.139  -5.461  1.00 96.52           N  
+ATOM   4256  CE1 HIS B 737      -7.738  14.428  -4.662  1.00 96.52           C  
+ATOM   4257  NE2 HIS B 737      -8.689  13.528  -4.846  1.00 96.52           N  
+ATOM   4258  N   THR B 738      -3.413  13.604  -8.629  1.00 92.85           N  
+ATOM   4259  CA  THR B 738      -2.081  13.348  -9.166  1.00 92.85           C  
+ATOM   4260  C   THR B 738      -1.231  12.577  -8.160  1.00 92.85           C  
+ATOM   4261  CB  THR B 738      -1.370  14.660  -9.545  1.00 92.85           C  
+ATOM   4262  O   THR B 738      -0.035  12.374  -8.377  1.00 92.85           O  
+ATOM   4263  CG2 THR B 738      -2.109  15.382 -10.666  1.00 92.85           C  
+ATOM   4264  OG1 THR B 738      -1.314  15.515  -8.396  1.00 92.85           O  
+ATOM   4265  N   GLY B 739      -1.790  12.253  -7.041  1.00 90.36           N  
+ATOM   4266  CA  GLY B 739      -1.180  11.425  -6.013  1.00 90.36           C  
+ATOM   4267  C   GLY B 739      -2.101  10.331  -5.505  1.00 90.36           C  
+ATOM   4268  O   GLY B 739      -3.251  10.230  -5.936  1.00 90.36           O  
+ATOM   4269  N   ASP B 740      -1.604   9.444  -4.596  1.00 96.23           N  
+ATOM   4270  CA  ASP B 740      -2.406   8.374  -4.013  1.00 96.23           C  
+ATOM   4271  C   ASP B 740      -3.640   8.934  -3.309  1.00 96.23           C  
+ATOM   4272  CB  ASP B 740      -1.570   7.549  -3.033  1.00 96.23           C  
+ATOM   4273  O   ASP B 740      -3.529   9.828  -2.468  1.00 96.23           O  
+ATOM   4274  CG  ASP B 740      -0.419   6.820  -3.703  1.00 96.23           C  
+ATOM   4275  OD1 ASP B 740      -0.227   6.978  -4.928  1.00 96.23           O  
+ATOM   4276  OD2 ASP B 740       0.301   6.078  -3.000  1.00 96.23           O  
+ATOM   4277  N   VAL B 741      -4.777   8.409  -3.713  1.00 98.41           N  
+ATOM   4278  CA  VAL B 741      -5.994   8.788  -3.003  1.00 98.41           C  
+ATOM   4279  C   VAL B 741      -6.085   8.020  -1.687  1.00 98.41           C  
+ATOM   4280  CB  VAL B 741      -7.254   8.529  -3.860  1.00 98.41           C  
+ATOM   4281  O   VAL B 741      -6.155   6.789  -1.682  1.00 98.41           O  
+ATOM   4282  CG1 VAL B 741      -8.499   9.085  -3.170  1.00 98.41           C  
+ATOM   4283  CG2 VAL B 741      -7.089   9.143  -5.249  1.00 98.41           C  
+ATOM   4284  N   MET B 742      -6.109   8.724  -0.541  1.00 97.71           N  
+ATOM   4285  CA  MET B 742      -5.895   8.111   0.767  1.00 97.71           C  
+ATOM   4286  C   MET B 742      -7.217   7.923   1.503  1.00 97.71           C  
+ATOM   4287  CB  MET B 742      -4.943   8.962   1.610  1.00 97.71           C  
+ATOM   4288  O   MET B 742      -7.330   7.057   2.372  1.00 97.71           O  
+ATOM   4289  CG  MET B 742      -3.527   9.025   1.061  1.00 97.71           C  
+ATOM   4290  SD  MET B 742      -2.800   7.360   0.799  1.00 97.71           S  
+ATOM   4291  CE  MET B 742      -2.692   6.785   2.516  1.00 97.71           C  
+ATOM   4292  N   SER B 743      -8.226   8.741   1.241  1.00 97.52           N  
+ATOM   4293  CA  SER B 743      -9.462   8.690   2.015  1.00 97.52           C  
+ATOM   4294  C   SER B 743     -10.647   9.196   1.198  1.00 97.52           C  
+ATOM   4295  CB  SER B 743      -9.327   9.513   3.297  1.00 97.52           C  
+ATOM   4296  O   SER B 743     -10.469   9.950   0.239  1.00 97.52           O  
+ATOM   4297  OG  SER B 743      -9.063  10.872   2.996  1.00 97.52           O  
+ATOM   4298  N   LEU B 744     -11.814   8.661   1.484  1.00 97.76           N  
+ATOM   4299  CA  LEU B 744     -13.066   9.101   0.877  1.00 97.76           C  
+ATOM   4300  C   LEU B 744     -14.159   9.247   1.930  1.00 97.76           C  
+ATOM   4301  CB  LEU B 744     -13.512   8.115  -0.206  1.00 97.76           C  
+ATOM   4302  O   LEU B 744     -14.138   8.558   2.953  1.00 97.76           O  
+ATOM   4303  CG  LEU B 744     -13.769   6.678   0.250  1.00 97.76           C  
+ATOM   4304  CD1 LEU B 744     -15.160   6.557   0.863  1.00 97.76           C  
+ATOM   4305  CD2 LEU B 744     -13.607   5.710  -0.916  1.00 97.76           C  
+ATOM   4306  N   SER B 745     -15.064  10.215   1.743  1.00 98.37           N  
+ATOM   4307  CA  SER B 745     -16.240  10.396   2.588  1.00 98.37           C  
+ATOM   4308  C   SER B 745     -17.479  10.702   1.753  1.00 98.37           C  
+ATOM   4309  CB  SER B 745     -16.006  11.520   3.599  1.00 98.37           C  
+ATOM   4310  O   SER B 745     -17.451  11.583   0.891  1.00 98.37           O  
+ATOM   4311  OG  SER B 745     -17.127  11.669   4.453  1.00 98.37           O  
+ATOM   4312  N   LEU B 746     -18.532   9.915   2.013  1.00 98.23           N  
+ATOM   4313  CA  LEU B 746     -19.790  10.136   1.309  1.00 98.23           C  
+ATOM   4314  C   LEU B 746     -20.569  11.288   1.935  1.00 98.23           C  
+ATOM   4315  CB  LEU B 746     -20.641   8.863   1.321  1.00 98.23           C  
+ATOM   4316  O   LEU B 746     -20.600  11.429   3.159  1.00 98.23           O  
+ATOM   4317  CG  LEU B 746     -20.070   7.658   0.573  1.00 98.23           C  
+ATOM   4318  CD1 LEU B 746     -20.964   6.438   0.770  1.00 98.23           C  
+ATOM   4319  CD2 LEU B 746     -19.909   7.975  -0.910  1.00 98.23           C  
+ATOM   4320  N   ALA B 747     -21.174  12.079   1.079  1.00 97.59           N  
+ATOM   4321  CA  ALA B 747     -22.170  13.022   1.581  1.00 97.59           C  
+ATOM   4322  C   ALA B 747     -23.384  12.290   2.145  1.00 97.59           C  
+ATOM   4323  CB  ALA B 747     -22.599  13.983   0.475  1.00 97.59           C  
+ATOM   4324  O   ALA B 747     -23.686  11.167   1.734  1.00 97.59           O  
+ATOM   4325  N   PRO B 748     -24.111  12.913   3.071  1.00 95.77           N  
+ATOM   4326  CA  PRO B 748     -25.263  12.255   3.691  1.00 95.77           C  
+ATOM   4327  C   PRO B 748     -26.296  11.786   2.669  1.00 95.77           C  
+ATOM   4328  CB  PRO B 748     -25.846  13.344   4.596  1.00 95.77           C  
+ATOM   4329  O   PRO B 748     -26.907  10.730   2.844  1.00 95.77           O  
+ATOM   4330  CG  PRO B 748     -24.674  14.187   4.982  1.00 95.77           C  
+ATOM   4331  CD  PRO B 748     -23.743  14.278   3.807  1.00 95.77           C  
+ATOM   4332  N   ASP B 749     -26.464  12.464   1.567  1.00 94.84           N  
+ATOM   4333  CA  ASP B 749     -27.443  12.093   0.550  1.00 94.84           C  
+ATOM   4334  C   ASP B 749     -26.860  11.079  -0.431  1.00 94.84           C  
+ATOM   4335  CB  ASP B 749     -27.931  13.332  -0.203  1.00 94.84           C  
+ATOM   4336  O   ASP B 749     -27.539  10.649  -1.365  1.00 94.84           O  
+ATOM   4337  CG  ASP B 749     -26.812  14.073  -0.913  1.00 94.84           C  
+ATOM   4338  OD1 ASP B 749     -25.671  13.564  -0.951  1.00 94.84           O  
+ATOM   4339  OD2 ASP B 749     -27.072  15.178  -1.437  1.00 94.84           O  
+ATOM   4340  N   THR B 750     -25.544  10.764  -0.388  1.00 95.76           N  
+ATOM   4341  CA  THR B 750     -24.823   9.721  -1.109  1.00 95.76           C  
+ATOM   4342  C   THR B 750     -24.718  10.064  -2.592  1.00 95.76           C  
+ATOM   4343  CB  THR B 750     -25.506   8.351  -0.943  1.00 95.76           C  
+ATOM   4344  O   THR B 750     -24.412   9.198  -3.415  1.00 95.76           O  
+ATOM   4345  CG2 THR B 750     -25.608   7.963   0.529  1.00 95.76           C  
+ATOM   4346  OG1 THR B 750     -26.824   8.410  -1.502  1.00 95.76           O  
+ATOM   4347  N   ARG B 751     -25.041  11.317  -2.931  1.00 95.20           N  
+ATOM   4348  CA  ARG B 751     -24.946  11.764  -4.317  1.00 95.20           C  
+ATOM   4349  C   ARG B 751     -23.548  12.288  -4.629  1.00 95.20           C  
+ATOM   4350  CB  ARG B 751     -25.988  12.846  -4.606  1.00 95.20           C  
+ATOM   4351  O   ARG B 751     -23.123  12.289  -5.786  1.00 95.20           O  
+ATOM   4352  CG  ARG B 751     -27.423  12.347  -4.563  1.00 95.20           C  
+ATOM   4353  CD  ARG B 751     -28.414  13.445  -4.926  1.00 95.20           C  
+ATOM   4354  NE  ARG B 751     -29.793  12.972  -4.854  1.00 95.20           N  
+ATOM   4355  NH1 ARG B 751     -30.735  14.987  -5.476  1.00 95.20           N  
+ATOM   4356  NH2 ARG B 751     -32.074  13.183  -5.021  1.00 95.20           N  
+ATOM   4357  CZ  ARG B 751     -30.864  13.715  -5.117  1.00 95.20           C  
+ATOM   4358  N   LEU B 752     -22.939  12.746  -3.571  1.00 97.40           N  
+ATOM   4359  CA  LEU B 752     -21.594  13.303  -3.658  1.00 97.40           C  
+ATOM   4360  C   LEU B 752     -20.631  12.541  -2.754  1.00 97.40           C  
+ATOM   4361  CB  LEU B 752     -21.601  14.786  -3.281  1.00 97.40           C  
+ATOM   4362  O   LEU B 752     -21.053  11.908  -1.783  1.00 97.40           O  
+ATOM   4363  CG  LEU B 752     -22.549  15.684  -4.078  1.00 97.40           C  
+ATOM   4364  CD1 LEU B 752     -22.600  17.079  -3.464  1.00 97.40           C  
+ATOM   4365  CD2 LEU B 752     -22.120  15.753  -5.539  1.00 97.40           C  
+ATOM   4366  N   PHE B 753     -19.408  12.586  -3.138  1.00 98.46           N  
+ATOM   4367  CA  PHE B 753     -18.372  12.189  -2.192  1.00 98.46           C  
+ATOM   4368  C   PHE B 753     -17.124  13.046  -2.364  1.00 98.46           C  
+ATOM   4369  CB  PHE B 753     -18.021  10.708  -2.367  1.00 98.46           C  
+ATOM   4370  O   PHE B 753     -16.940  13.682  -3.404  1.00 98.46           O  
+ATOM   4371  CG  PHE B 753     -17.217  10.418  -3.605  1.00 98.46           C  
+ATOM   4372  CD1 PHE B 753     -17.847  10.169  -4.818  1.00 98.46           C  
+ATOM   4373  CD2 PHE B 753     -15.829  10.393  -3.556  1.00 98.46           C  
+ATOM   4374  CE1 PHE B 753     -17.105   9.899  -5.966  1.00 98.46           C  
+ATOM   4375  CE2 PHE B 753     -15.081  10.125  -4.699  1.00 98.46           C  
+ATOM   4376  CZ  PHE B 753     -15.721   9.877  -5.902  1.00 98.46           C  
+ATOM   4377  N   VAL B 754     -16.391  13.075  -1.279  1.00 98.69           N  
+ATOM   4378  CA  VAL B 754     -15.144  13.832  -1.304  1.00 98.69           C  
+ATOM   4379  C   VAL B 754     -13.962  12.888  -1.097  1.00 98.69           C  
+ATOM   4380  CB  VAL B 754     -15.133  14.944  -0.231  1.00 98.69           C  
+ATOM   4381  O   VAL B 754     -14.076  11.888  -0.385  1.00 98.69           O  
+ATOM   4382  CG1 VAL B 754     -15.486  14.373   1.142  1.00 98.69           C  
+ATOM   4383  CG2 VAL B 754     -13.771  15.634  -0.192  1.00 98.69           C  
+ATOM   4384  N   SER B 755     -12.838  13.217  -1.815  1.00 98.73           N  
+ATOM   4385  CA  SER B 755     -11.616  12.430  -1.685  1.00 98.73           C  
+ATOM   4386  C   SER B 755     -10.428  13.311  -1.312  1.00 98.73           C  
+ATOM   4387  CB  SER B 755     -11.319  11.682  -2.986  1.00 98.73           C  
+ATOM   4388  O   SER B 755     -10.376  14.483  -1.689  1.00 98.73           O  
+ATOM   4389  OG  SER B 755     -11.092  12.592  -4.048  1.00 98.73           O  
+ATOM   4390  N   GLY B 756      -9.523  12.777  -0.473  1.00 98.51           N  
+ATOM   4391  CA  GLY B 756      -8.246  13.383  -0.134  1.00 98.51           C  
+ATOM   4392  C   GLY B 756      -7.055  12.575  -0.614  1.00 98.51           C  
+ATOM   4393  O   GLY B 756      -7.058  11.345  -0.528  1.00 98.51           O  
+ATOM   4394  N   ALA B 757      -5.979  13.302  -0.984  1.00 98.23           N  
+ATOM   4395  CA  ALA B 757      -4.925  12.543  -1.650  1.00 98.23           C  
+ATOM   4396  C   ALA B 757      -3.544  13.066  -1.264  1.00 98.23           C  
+ATOM   4397  CB  ALA B 757      -5.106  12.598  -3.165  1.00 98.23           C  
+ATOM   4398  O   ALA B 757      -3.429  14.040  -0.516  1.00 98.23           O  
+ATOM   4399  N   CYS B 758      -2.503  12.429  -1.727  1.00 96.08           N  
+ATOM   4400  CA  CYS B 758      -1.105  12.761  -1.474  1.00 96.08           C  
+ATOM   4401  C   CYS B 758      -0.660  13.939  -2.332  1.00 96.08           C  
+ATOM   4402  CB  CYS B 758      -0.211  11.552  -1.748  1.00 96.08           C  
+ATOM   4403  O   CYS B 758       0.486  14.380  -2.241  1.00 96.08           O  
+ATOM   4404  SG  CYS B 758      -0.453  10.190  -0.587  1.00 96.08           S  
+ATOM   4405  N   ASP B 759      -1.482  14.487  -3.119  1.00 94.95           N  
+ATOM   4406  CA  ASP B 759      -1.218  15.711  -3.869  1.00 94.95           C  
+ATOM   4407  C   ASP B 759      -1.654  16.944  -3.079  1.00 94.95           C  
+ATOM   4408  CB  ASP B 759      -1.929  15.676  -5.223  1.00 94.95           C  
+ATOM   4409  O   ASP B 759      -1.760  18.038  -3.636  1.00 94.95           O  
+ATOM   4410  CG  ASP B 759      -3.436  15.531  -5.098  1.00 94.95           C  
+ATOM   4411  OD1 ASP B 759      -3.973  15.687  -3.980  1.00 94.95           O  
+ATOM   4412  OD2 ASP B 759      -4.091  15.255  -6.126  1.00 94.95           O  
+ATOM   4413  N   ALA B 760      -1.973  16.728  -1.863  1.00 96.23           N  
+ATOM   4414  CA  ALA B 760      -2.315  17.754  -0.881  1.00 96.23           C  
+ATOM   4415  C   ALA B 760      -3.629  18.441  -1.240  1.00 96.23           C  
+ATOM   4416  CB  ALA B 760      -1.192  18.784  -0.775  1.00 96.23           C  
+ATOM   4417  O   ALA B 760      -3.822  19.621  -0.940  1.00 96.23           O  
+ATOM   4418  N   SER B 761      -4.463  17.763  -2.020  1.00 97.65           N  
+ATOM   4419  CA  SER B 761      -5.739  18.354  -2.413  1.00 97.65           C  
+ATOM   4420  C   SER B 761      -6.907  17.449  -2.035  1.00 97.65           C  
+ATOM   4421  CB  SER B 761      -5.761  18.629  -3.917  1.00 97.65           C  
+ATOM   4422  O   SER B 761      -6.733  16.241  -1.864  1.00 97.65           O  
+ATOM   4423  OG  SER B 761      -5.779  17.417  -4.650  1.00 97.65           O  
+ATOM   4424  N   ALA B 762      -8.070  18.067  -1.759  1.00 98.46           N  
+ATOM   4425  CA  ALA B 762      -9.361  17.395  -1.641  1.00 98.46           C  
+ATOM   4426  C   ALA B 762     -10.247  17.693  -2.848  1.00 98.46           C  
+ATOM   4427  CB  ALA B 762     -10.064  17.814  -0.352  1.00 98.46           C  
+ATOM   4428  O   ALA B 762     -10.291  18.829  -3.328  1.00 98.46           O  
+ATOM   4429  N   LYS B 763     -10.908  16.659  -3.332  1.00 98.53           N  
+ATOM   4430  CA  LYS B 763     -11.756  16.836  -4.507  1.00 98.53           C  
+ATOM   4431  C   LYS B 763     -13.176  16.346  -4.240  1.00 98.53           C  
+ATOM   4432  CB  LYS B 763     -11.166  16.100  -5.711  1.00 98.53           C  
+ATOM   4433  O   LYS B 763     -13.370  15.301  -3.616  1.00 98.53           O  
+ATOM   4434  CG  LYS B 763      -9.920  16.756  -6.288  1.00 98.53           C  
+ATOM   4435  CD  LYS B 763      -9.396  15.994  -7.498  1.00 98.53           C  
+ATOM   4436  CE  LYS B 763      -8.114  16.612  -8.038  1.00 98.53           C  
+ATOM   4437  NZ  LYS B 763      -8.368  17.926  -8.701  1.00 98.53           N  
+ATOM   4438  N   LEU B 764     -14.142  17.112  -4.732  1.00 98.34           N  
+ATOM   4439  CA  LEU B 764     -15.564  16.796  -4.651  1.00 98.34           C  
+ATOM   4440  C   LEU B 764     -16.055  16.163  -5.949  1.00 98.34           C  
+ATOM   4441  CB  LEU B 764     -16.377  18.057  -4.345  1.00 98.34           C  
+ATOM   4442  O   LEU B 764     -15.838  16.710  -7.032  1.00 98.34           O  
+ATOM   4443  CG  LEU B 764     -17.886  17.868  -4.186  1.00 98.34           C  
+ATOM   4444  CD1 LEU B 764     -18.195  17.142  -2.881  1.00 98.34           C  
+ATOM   4445  CD2 LEU B 764     -18.602  19.213  -4.238  1.00 98.34           C  
+ATOM   4446  N   TRP B 765     -16.763  14.997  -5.805  1.00 98.29           N  
+ATOM   4447  CA  TRP B 765     -17.184  14.223  -6.968  1.00 98.29           C  
+ATOM   4448  C   TRP B 765     -18.696  14.022  -6.970  1.00 98.29           C  
+ATOM   4449  CB  TRP B 765     -16.476  12.866  -6.998  1.00 98.29           C  
+ATOM   4450  O   TRP B 765     -19.299  13.795  -5.919  1.00 98.29           O  
+ATOM   4451  CG  TRP B 765     -14.995  12.947  -6.776  1.00 98.29           C  
+ATOM   4452  CD1 TRP B 765     -14.337  12.896  -5.579  1.00 98.29           C  
+ATOM   4453  CD2 TRP B 765     -13.988  13.098  -7.781  1.00 98.29           C  
+ATOM   4454  CE2 TRP B 765     -12.740  13.131  -7.121  1.00 98.29           C  
+ATOM   4455  CE3 TRP B 765     -14.020  13.208  -9.178  1.00 98.29           C  
+ATOM   4456  NE1 TRP B 765     -12.981  13.006  -5.779  1.00 98.29           N  
+ATOM   4457  CH2 TRP B 765     -11.593  13.375  -9.177  1.00 98.29           C  
+ATOM   4458  CZ2 TRP B 765     -11.534  13.269  -7.812  1.00 98.29           C  
+ATOM   4459  CZ3 TRP B 765     -12.819  13.346  -9.863  1.00 98.29           C  
+ATOM   4460  N   ASP B 766     -19.238  14.159  -8.157  1.00 97.02           N  
+ATOM   4461  CA  ASP B 766     -20.613  13.719  -8.372  1.00 97.02           C  
+ATOM   4462  C   ASP B 766     -20.658  12.261  -8.825  1.00 97.02           C  
+ATOM   4463  CB  ASP B 766     -21.307  14.612  -9.402  1.00 97.02           C  
+ATOM   4464  O   ASP B 766     -20.133  11.919  -9.886  1.00 97.02           O  
+ATOM   4465  CG  ASP B 766     -22.802  14.362  -9.492  1.00 97.02           C  
+ATOM   4466  OD1 ASP B 766     -23.214  13.212  -9.761  1.00 97.02           O  
+ATOM   4467  OD2 ASP B 766     -23.576  15.323  -9.295  1.00 97.02           O  
+ATOM   4468  N   VAL B 767     -21.386  11.444  -8.047  1.00 95.81           N  
+ATOM   4469  CA  VAL B 767     -21.367  10.002  -8.271  1.00 95.81           C  
+ATOM   4470  C   VAL B 767     -21.987   9.681  -9.629  1.00 95.81           C  
+ATOM   4471  CB  VAL B 767     -22.114   9.244  -7.151  1.00 95.81           C  
+ATOM   4472  O   VAL B 767     -21.463   8.853 -10.378  1.00 95.81           O  
+ATOM   4473  CG1 VAL B 767     -22.236   7.760  -7.492  1.00 95.81           C  
+ATOM   4474  CG2 VAL B 767     -21.401   9.431  -5.813  1.00 95.81           C  
+ATOM   4475  N   ARG B 768     -22.962  10.361 -10.083  1.00 93.76           N  
+ATOM   4476  CA  ARG B 768     -23.706  10.087 -11.308  1.00 93.76           C  
+ATOM   4477  C   ARG B 768     -22.951  10.592 -12.532  1.00 93.76           C  
+ATOM   4478  CB  ARG B 768     -25.096  10.725 -11.248  1.00 93.76           C  
+ATOM   4479  O   ARG B 768     -22.852   9.890 -13.541  1.00 93.76           O  
+ATOM   4480  CG  ARG B 768     -26.039  10.057 -10.261  1.00 93.76           C  
+ATOM   4481  CD  ARG B 768     -27.408  10.722 -10.250  1.00 93.76           C  
+ATOM   4482  NE  ARG B 768     -28.306  10.093  -9.285  1.00 93.76           N  
+ATOM   4483  NH1 ARG B 768     -30.128  11.414  -9.807  1.00 93.76           N  
+ATOM   4484  NH2 ARG B 768     -30.304   9.796  -8.192  1.00 93.76           N  
+ATOM   4485  CZ  ARG B 768     -29.577  10.436  -9.097  1.00 93.76           C  
+ATOM   4486  N   GLU B 769     -22.373  11.759 -12.395  1.00 92.84           N  
+ATOM   4487  CA  GLU B 769     -21.743  12.406 -13.542  1.00 92.84           C  
+ATOM   4488  C   GLU B 769     -20.319  11.898 -13.750  1.00 92.84           C  
+ATOM   4489  CB  GLU B 769     -21.739  13.927 -13.367  1.00 92.84           C  
+ATOM   4490  O   GLU B 769     -19.778  11.986 -14.853  1.00 92.84           O  
+ATOM   4491  CG  GLU B 769     -23.128  14.548 -13.354  1.00 92.84           C  
+ATOM   4492  CD  GLU B 769     -23.107  16.061 -13.200  1.00 92.84           C  
+ATOM   4493  OE1 GLU B 769     -24.193  16.680 -13.146  1.00 92.84           O  
+ATOM   4494  OE2 GLU B 769     -21.995  16.631 -13.135  1.00 92.84           O  
+ATOM   4495  N   GLY B 770     -19.659  11.397 -12.730  1.00 90.74           N  
+ATOM   4496  CA  GLY B 770     -18.310  10.858 -12.803  1.00 90.74           C  
+ATOM   4497  C   GLY B 770     -17.248  11.927 -12.974  1.00 90.74           C  
+ATOM   4498  O   GLY B 770     -16.182  11.667 -13.536  1.00 90.74           O  
+ATOM   4499  N   MET B 771     -17.637  13.240 -12.659  1.00 90.37           N  
+ATOM   4500  CA  MET B 771     -16.685  14.331 -12.847  1.00 90.37           C  
+ATOM   4501  C   MET B 771     -16.392  15.031 -11.524  1.00 90.37           C  
+ATOM   4502  CB  MET B 771     -17.217  15.340 -13.866  1.00 90.37           C  
+ATOM   4503  O   MET B 771     -17.236  15.051 -10.627  1.00 90.37           O  
+ATOM   4504  CG  MET B 771     -17.376  14.771 -15.266  1.00 90.37           C  
+ATOM   4505  SD  MET B 771     -17.931  16.032 -16.479  1.00 90.37           S  
+ATOM   4506  CE  MET B 771     -17.932  15.038 -17.997  1.00 90.37           C  
+ATOM   4507  N   CYS B 772     -15.153  15.542 -11.528  1.00 95.39           N  
+ATOM   4508  CA  CYS B 772     -14.776  16.379 -10.395  1.00 95.39           C  
+ATOM   4509  C   CYS B 772     -15.479  17.730 -10.457  1.00 95.39           C  
+ATOM   4510  CB  CYS B 772     -13.262  16.583 -10.359  1.00 95.39           C  
+ATOM   4511  O   CYS B 772     -15.344  18.460 -11.442  1.00 95.39           O  
+ATOM   4512  SG  CYS B 772     -12.697  17.608  -8.983  1.00 95.39           S  
+ATOM   4513  N   ARG B 773     -16.213  18.126  -9.352  1.00 95.56           N  
+ATOM   4514  CA  ARG B 773     -16.990  19.361  -9.312  1.00 95.56           C  
+ATOM   4515  C   ARG B 773     -16.170  20.506  -8.729  1.00 95.56           C  
+ATOM   4516  CB  ARG B 773     -18.270  19.164  -8.496  1.00 95.56           C  
+ATOM   4517  O   ARG B 773     -16.267  21.645  -9.192  1.00 95.56           O  
+ATOM   4518  CG  ARG B 773     -19.277  18.228  -9.145  1.00 95.56           C  
+ATOM   4519  CD  ARG B 773     -19.991  18.891 -10.315  1.00 95.56           C  
+ATOM   4520  NE  ARG B 773     -21.083  18.064 -10.819  1.00 95.56           N  
+ATOM   4521  NH1 ARG B 773     -22.144  19.782 -11.941  1.00 95.56           N  
+ATOM   4522  NH2 ARG B 773     -23.023  17.666 -11.983  1.00 95.56           N  
+ATOM   4523  CZ  ARG B 773     -22.081  18.506 -11.580  1.00 95.56           C  
+ATOM   4524  N   GLN B 774     -15.419  20.193  -7.692  1.00 95.31           N  
+ATOM   4525  CA  GLN B 774     -14.613  21.200  -7.010  1.00 95.31           C  
+ATOM   4526  C   GLN B 774     -13.287  20.612  -6.533  1.00 95.31           C  
+ATOM   4527  CB  GLN B 774     -15.381  21.792  -5.828  1.00 95.31           C  
+ATOM   4528  O   GLN B 774     -13.205  19.422  -6.224  1.00 95.31           O  
+ATOM   4529  CG  GLN B 774     -16.640  22.547  -6.229  1.00 95.31           C  
+ATOM   4530  CD  GLN B 774     -17.417  23.069  -5.034  1.00 95.31           C  
+ATOM   4531  NE2 GLN B 774     -18.448  23.864  -5.299  1.00 95.31           N  
+ATOM   4532  OE1 GLN B 774     -17.094  22.759  -3.883  1.00 95.31           O  
+ATOM   4533  N   THR B 775     -12.244  21.467  -6.561  1.00 95.73           N  
+ATOM   4534  CA  THR B 775     -10.941  21.114  -6.007  1.00 95.73           C  
+ATOM   4535  C   THR B 775     -10.557  22.069  -4.880  1.00 95.73           C  
+ATOM   4536  CB  THR B 775      -9.849  21.131  -7.092  1.00 95.73           C  
+ATOM   4537  O   THR B 775     -10.573  23.288  -5.059  1.00 95.73           O  
+ATOM   4538  CG2 THR B 775      -8.487  20.776  -6.507  1.00 95.73           C  
+ATOM   4539  OG1 THR B 775     -10.182  20.180  -8.111  1.00 95.73           O  
+ATOM   4540  N   PHE B 776     -10.255  21.453  -3.715  1.00 96.42           N  
+ATOM   4541  CA  PHE B 776      -9.890  22.232  -2.538  1.00 96.42           C  
+ATOM   4542  C   PHE B 776      -8.421  22.027  -2.187  1.00 96.42           C  
+ATOM   4543  CB  PHE B 776     -10.772  21.851  -1.345  1.00 96.42           C  
+ATOM   4544  O   PHE B 776      -7.966  20.892  -2.035  1.00 96.42           O  
+ATOM   4545  CG  PHE B 776     -12.241  22.079  -1.579  1.00 96.42           C  
+ATOM   4546  CD1 PHE B 776     -12.835  23.287  -1.236  1.00 96.42           C  
+ATOM   4547  CD2 PHE B 776     -13.029  21.083  -2.143  1.00 96.42           C  
+ATOM   4548  CE1 PHE B 776     -14.194  23.501  -1.452  1.00 96.42           C  
+ATOM   4549  CE2 PHE B 776     -14.388  21.289  -2.361  1.00 96.42           C  
+ATOM   4550  CZ  PHE B 776     -14.969  22.498  -2.014  1.00 96.42           C  
+ATOM   4551  N   THR B 777      -7.670  23.165  -2.058  1.00 93.90           N  
+ATOM   4552  CA  THR B 777      -6.253  23.166  -1.712  1.00 93.90           C  
+ATOM   4553  C   THR B 777      -6.010  23.954  -0.428  1.00 93.90           C  
+ATOM   4554  CB  THR B 777      -5.401  23.758  -2.849  1.00 93.90           C  
+ATOM   4555  O   THR B 777      -6.891  24.680   0.037  1.00 93.90           O  
+ATOM   4556  CG2 THR B 777      -5.567  22.957  -4.136  1.00 93.90           C  
+ATOM   4557  OG1 THR B 777      -5.806  25.112  -3.087  1.00 93.90           O  
+ATOM   4558  N   GLY B 778      -4.870  23.786   0.265  1.00 91.63           N  
+ATOM   4559  CA  GLY B 778      -4.535  24.495   1.489  1.00 91.63           C  
+ATOM   4560  C   GLY B 778      -3.531  23.754   2.352  1.00 91.63           C  
+ATOM   4561  O   GLY B 778      -2.627  24.365   2.925  1.00 91.63           O  
+ATOM   4562  N   HIS B 779      -3.624  22.455   2.304  1.00 95.91           N  
+ATOM   4563  CA  HIS B 779      -2.668  21.667   3.074  1.00 95.91           C  
+ATOM   4564  C   HIS B 779      -1.284  21.703   2.435  1.00 95.91           C  
+ATOM   4565  CB  HIS B 779      -3.149  20.221   3.205  1.00 95.91           C  
+ATOM   4566  O   HIS B 779      -1.159  21.894   1.223  1.00 95.91           O  
+ATOM   4567  CG  HIS B 779      -4.188  20.027   4.263  1.00 95.91           C  
+ATOM   4568  CD2 HIS B 779      -5.497  19.694   4.173  1.00 95.91           C  
+ATOM   4569  ND1 HIS B 779      -3.920  20.183   5.606  1.00 95.91           N  
+ATOM   4570  CE1 HIS B 779      -5.023  19.952   6.298  1.00 95.91           C  
+ATOM   4571  NE2 HIS B 779      -5.994  19.653   5.453  1.00 95.91           N  
+ATOM   4572  N   GLU B 780      -0.202  21.527   3.237  1.00 93.09           N  
+ATOM   4573  CA  GLU B 780       1.180  21.571   2.770  1.00 93.09           C  
+ATOM   4574  C   GLU B 780       1.750  20.166   2.598  1.00 93.09           C  
+ATOM   4575  CB  GLU B 780       2.050  22.377   3.739  1.00 93.09           C  
+ATOM   4576  O   GLU B 780       2.911  20.003   2.215  1.00 93.09           O  
+ATOM   4577  CG  GLU B 780       1.648  23.840   3.854  1.00 93.09           C  
+ATOM   4578  CD  GLU B 780       2.567  24.644   4.761  1.00 93.09           C  
+ATOM   4579  OE1 GLU B 780       2.444  25.889   4.799  1.00 93.09           O  
+ATOM   4580  OE2 GLU B 780       3.417  24.024   5.437  1.00 93.09           O  
+ATOM   4581  N   SER B 781       0.988  19.210   3.025  1.00 93.39           N  
+ATOM   4582  CA  SER B 781       1.405  17.816   2.922  1.00 93.39           C  
+ATOM   4583  C   SER B 781       0.226  16.911   2.580  1.00 93.39           C  
+ATOM   4584  CB  SER B 781       2.053  17.351   4.226  1.00 93.39           C  
+ATOM   4585  O   SER B 781      -0.838  17.391   2.184  1.00 93.39           O  
+ATOM   4586  OG  SER B 781       2.795  16.161   4.023  1.00 93.39           O  
+ATOM   4587  N   ASP B 782       0.404  15.584   2.571  1.00 96.01           N  
+ATOM   4588  CA  ASP B 782      -0.575  14.574   2.181  1.00 96.01           C  
+ATOM   4589  C   ASP B 782      -1.832  14.666   3.042  1.00 96.01           C  
+ATOM   4590  CB  ASP B 782       0.031  13.173   2.281  1.00 96.01           C  
+ATOM   4591  O   ASP B 782      -1.745  14.816   4.263  1.00 96.01           O  
+ATOM   4592  CG  ASP B 782       1.211  12.968   1.347  1.00 96.01           C  
+ATOM   4593  OD1 ASP B 782       1.504  13.866   0.529  1.00 96.01           O  
+ATOM   4594  OD2 ASP B 782       1.851  11.897   1.428  1.00 96.01           O  
+ATOM   4595  N   ILE B 783      -2.977  14.617   2.376  1.00 98.29           N  
+ATOM   4596  CA  ILE B 783      -4.250  14.503   3.079  1.00 98.29           C  
+ATOM   4597  C   ILE B 783      -4.561  13.032   3.348  1.00 98.29           C  
+ATOM   4598  CB  ILE B 783      -5.398  15.155   2.277  1.00 98.29           C  
+ATOM   4599  O   ILE B 783      -4.784  12.257   2.415  1.00 98.29           O  
+ATOM   4600  CG1 ILE B 783      -5.123  16.649   2.068  1.00 98.29           C  
+ATOM   4601  CG2 ILE B 783      -6.740  14.939   2.982  1.00 98.29           C  
+ATOM   4602  CD1 ILE B 783      -6.133  17.344   1.166  1.00 98.29           C  
+ATOM   4603  N   ASN B 784      -4.654  12.654   4.662  1.00 97.67           N  
+ATOM   4604  CA  ASN B 784      -4.791  11.257   5.056  1.00 97.67           C  
+ATOM   4605  C   ASN B 784      -6.233  10.916   5.420  1.00 97.67           C  
+ATOM   4606  CB  ASN B 784      -3.858  10.935   6.226  1.00 97.67           C  
+ATOM   4607  O   ASN B 784      -6.621   9.746   5.410  1.00 97.67           O  
+ATOM   4608  CG  ASN B 784      -2.395  11.118   5.873  1.00 97.67           C  
+ATOM   4609  ND2 ASN B 784      -1.663  11.825   6.726  1.00 97.67           N  
+ATOM   4610  OD1 ASN B 784      -1.926  10.629   4.842  1.00 97.67           O  
+ATOM   4611  N   ALA B 785      -7.011  11.903   5.851  1.00 98.12           N  
+ATOM   4612  CA  ALA B 785      -8.362  11.647   6.344  1.00 98.12           C  
+ATOM   4613  C   ALA B 785      -9.318  12.762   5.928  1.00 98.12           C  
+ATOM   4614  CB  ALA B 785      -8.354  11.497   7.863  1.00 98.12           C  
+ATOM   4615  O   ALA B 785      -8.944  13.937   5.918  1.00 98.12           O  
+ATOM   4616  N   ILE B 786     -10.471  12.321   5.538  1.00 98.46           N  
+ATOM   4617  CA  ILE B 786     -11.496  13.273   5.124  1.00 98.46           C  
+ATOM   4618  C   ILE B 786     -12.858  12.827   5.652  1.00 98.46           C  
+ATOM   4619  CB  ILE B 786     -11.541  13.423   3.586  1.00 98.46           C  
+ATOM   4620  O   ILE B 786     -13.136  11.628   5.736  1.00 98.46           O  
+ATOM   4621  CG1 ILE B 786     -12.419  14.615   3.191  1.00 98.46           C  
+ATOM   4622  CG2 ILE B 786     -12.042  12.132   2.932  1.00 98.46           C  
+ATOM   4623  CD1 ILE B 786     -12.184  15.113   1.772  1.00 98.46           C  
+ATOM   4624  N   CYS B 787     -13.710  13.831   6.083  1.00 98.34           N  
+ATOM   4625  CA  CYS B 787     -15.031  13.503   6.606  1.00 98.34           C  
+ATOM   4626  C   CYS B 787     -16.031  14.612   6.300  1.00 98.34           C  
+ATOM   4627  CB  CYS B 787     -14.967  13.265   8.115  1.00 98.34           C  
+ATOM   4628  O   CYS B 787     -15.766  15.784   6.572  1.00 98.34           O  
+ATOM   4629  SG  CYS B 787     -16.557  12.828   8.852  1.00 98.34           S  
+ATOM   4630  N   PHE B 788     -17.150  14.240   5.771  1.00 98.43           N  
+ATOM   4631  CA  PHE B 788     -18.215  15.194   5.488  1.00 98.43           C  
+ATOM   4632  C   PHE B 788     -18.825  15.723   6.781  1.00 98.43           C  
+ATOM   4633  CB  PHE B 788     -19.300  14.550   4.620  1.00 98.43           C  
+ATOM   4634  O   PHE B 788     -18.933  14.991   7.767  1.00 98.43           O  
+ATOM   4635  CG  PHE B 788     -19.276  15.001   3.184  1.00 98.43           C  
+ATOM   4636  CD1 PHE B 788     -19.755  16.255   2.827  1.00 98.43           C  
+ATOM   4637  CD2 PHE B 788     -18.775  14.169   2.192  1.00 98.43           C  
+ATOM   4638  CE1 PHE B 788     -19.734  16.675   1.499  1.00 98.43           C  
+ATOM   4639  CE2 PHE B 788     -18.751  14.581   0.862  1.00 98.43           C  
+ATOM   4640  CZ  PHE B 788     -19.231  15.834   0.518  1.00 98.43           C  
+ATOM   4641  N   PHE B 789     -19.139  16.996   6.722  1.00 98.07           N  
+ATOM   4642  CA  PHE B 789     -19.947  17.601   7.774  1.00 98.07           C  
+ATOM   4643  C   PHE B 789     -21.353  17.013   7.782  1.00 98.07           C  
+ATOM   4644  CB  PHE B 789     -20.015  19.121   7.594  1.00 98.07           C  
+ATOM   4645  O   PHE B 789     -21.895  16.672   6.729  1.00 98.07           O  
+ATOM   4646  CG  PHE B 789     -20.389  19.864   8.848  1.00 98.07           C  
+ATOM   4647  CD1 PHE B 789     -21.688  20.317   9.043  1.00 98.07           C  
+ATOM   4648  CD2 PHE B 789     -19.440  20.110   9.832  1.00 98.07           C  
+ATOM   4649  CE1 PHE B 789     -22.037  21.006  10.203  1.00 98.07           C  
+ATOM   4650  CE2 PHE B 789     -19.781  20.797  10.994  1.00 98.07           C  
+ATOM   4651  CZ  PHE B 789     -21.080  21.245  11.177  1.00 98.07           C  
+ATOM   4652  N   PRO B 790     -22.012  16.895   8.985  1.00 97.54           N  
+ATOM   4653  CA  PRO B 790     -23.270  16.159   9.121  1.00 97.54           C  
+ATOM   4654  C   PRO B 790     -24.371  16.699   8.211  1.00 97.54           C  
+ATOM   4655  CB  PRO B 790     -23.635  16.353  10.595  1.00 97.54           C  
+ATOM   4656  O   PRO B 790     -25.198  15.930   7.713  1.00 97.54           O  
+ATOM   4657  CG  PRO B 790     -22.323  16.470  11.301  1.00 97.54           C  
+ATOM   4658  CD  PRO B 790     -21.377  17.242  10.426  1.00 97.54           C  
+ATOM   4659  N   ASN B 791     -24.367  17.960   7.857  1.00 96.33           N  
+ATOM   4660  CA  ASN B 791     -25.446  18.496   7.034  1.00 96.33           C  
+ATOM   4661  C   ASN B 791     -25.129  18.376   5.546  1.00 96.33           C  
+ATOM   4662  CB  ASN B 791     -25.729  19.954   7.402  1.00 96.33           C  
+ATOM   4663  O   ASN B 791     -25.948  18.743   4.702  1.00 96.33           O  
+ATOM   4664  CG  ASN B 791     -24.556  20.868   7.110  1.00 96.33           C  
+ATOM   4665  ND2 ASN B 791     -24.654  22.117   7.548  1.00 96.33           N  
+ATOM   4666  OD1 ASN B 791     -23.569  20.454   6.495  1.00 96.33           O  
+ATOM   4667  N   GLY B 792     -23.856  18.030   5.232  1.00 97.32           N  
+ATOM   4668  CA  GLY B 792     -23.497  17.731   3.854  1.00 97.32           C  
+ATOM   4669  C   GLY B 792     -23.005  18.946   3.090  1.00 97.32           C  
+ATOM   4670  O   GLY B 792     -22.735  18.863   1.890  1.00 97.32           O  
+ATOM   4671  N   ASN B 793     -22.865  20.065   3.710  1.00 97.06           N  
+ATOM   4672  CA  ASN B 793     -22.495  21.298   3.023  1.00 97.06           C  
+ATOM   4673  C   ASN B 793     -21.030  21.654   3.259  1.00 97.06           C  
+ATOM   4674  CB  ASN B 793     -23.400  22.451   3.464  1.00 97.06           C  
+ATOM   4675  O   ASN B 793     -20.539  22.657   2.739  1.00 97.06           O  
+ATOM   4676  CG  ASN B 793     -24.829  22.287   2.986  1.00 97.06           C  
+ATOM   4677  ND2 ASN B 793     -25.780  22.727   3.801  1.00 97.06           N  
+ATOM   4678  OD1 ASN B 793     -25.076  21.768   1.895  1.00 97.06           O  
+ATOM   4679  N   ALA B 794     -20.341  20.917   4.073  1.00 97.93           N  
+ATOM   4680  CA  ALA B 794     -18.936  21.134   4.408  1.00 97.93           C  
+ATOM   4681  C   ALA B 794     -18.229  19.812   4.690  1.00 97.93           C  
+ATOM   4682  CB  ALA B 794     -18.814  22.066   5.611  1.00 97.93           C  
+ATOM   4683  O   ALA B 794     -18.875  18.767   4.800  1.00 97.93           O  
+ATOM   4684  N   PHE B 795     -16.940  19.933   4.743  1.00 98.60           N  
+ATOM   4685  CA  PHE B 795     -16.165  18.753   5.106  1.00 98.60           C  
+ATOM   4686  C   PHE B 795     -14.844  19.150   5.753  1.00 98.60           C  
+ATOM   4687  CB  PHE B 795     -15.905  17.879   3.875  1.00 98.60           C  
+ATOM   4688  O   PHE B 795     -14.398  20.291   5.615  1.00 98.60           O  
+ATOM   4689  CG  PHE B 795     -15.076  18.554   2.816  1.00 98.60           C  
+ATOM   4690  CD1 PHE B 795     -15.680  19.303   1.813  1.00 98.60           C  
+ATOM   4691  CD2 PHE B 795     -13.692  18.440   2.823  1.00 98.60           C  
+ATOM   4692  CE1 PHE B 795     -14.916  19.929   0.832  1.00 98.60           C  
+ATOM   4693  CE2 PHE B 795     -12.921  19.062   1.845  1.00 98.60           C  
+ATOM   4694  CZ  PHE B 795     -13.535  19.806   0.850  1.00 98.60           C  
+ATOM   4695  N   ALA B 796     -14.274  18.190   6.516  1.00 98.67           N  
+ATOM   4696  CA  ALA B 796     -12.990  18.425   7.171  1.00 98.67           C  
+ATOM   4697  C   ALA B 796     -11.921  17.476   6.638  1.00 98.67           C  
+ATOM   4698  CB  ALA B 796     -13.128  18.270   8.684  1.00 98.67           C  
+ATOM   4699  O   ALA B 796     -12.226  16.353   6.228  1.00 98.67           O  
+ATOM   4700  N   THR B 797     -10.693  17.991   6.644  1.00 98.77           N  
+ATOM   4701  CA  THR B 797      -9.547  17.200   6.209  1.00 98.77           C  
+ATOM   4702  C   THR B 797      -8.482  17.144   7.302  1.00 98.77           C  
+ATOM   4703  CB  THR B 797      -8.931  17.772   4.919  1.00 98.77           C  
+ATOM   4704  O   THR B 797      -8.344  18.082   8.090  1.00 98.77           O  
+ATOM   4705  CG2 THR B 797      -9.945  17.772   3.779  1.00 98.77           C  
+ATOM   4706  OG1 THR B 797      -8.497  19.116   5.158  1.00 98.77           O  
+ATOM   4707  N   GLY B 798      -7.794  16.021   7.405  1.00 98.39           N  
+ATOM   4708  CA  GLY B 798      -6.616  15.817   8.233  1.00 98.39           C  
+ATOM   4709  C   GLY B 798      -5.378  15.461   7.433  1.00 98.39           C  
+ATOM   4710  O   GLY B 798      -5.406  14.540   6.614  1.00 98.39           O  
+ATOM   4711  N   SER B 799      -4.223  16.036   7.814  1.00 98.16           N  
+ATOM   4712  CA  SER B 799      -3.062  15.944   6.934  1.00 98.16           C  
+ATOM   4713  C   SER B 799      -1.791  15.654   7.725  1.00 98.16           C  
+ATOM   4714  CB  SER B 799      -2.892  17.237   6.135  1.00 98.16           C  
+ATOM   4715  O   SER B 799      -1.772  15.788   8.950  1.00 98.16           O  
+ATOM   4716  OG  SER B 799      -1.667  17.229   5.421  1.00 98.16           O  
+ATOM   4717  N   ASP B 800      -0.718  15.293   6.966  1.00 94.28           N  
+ATOM   4718  CA  ASP B 800       0.614  15.080   7.525  1.00 94.28           C  
+ATOM   4719  C   ASP B 800       1.228  16.396   7.997  1.00 94.28           C  
+ATOM   4720  CB  ASP B 800       1.528  14.413   6.495  1.00 94.28           C  
+ATOM   4721  O   ASP B 800       2.274  16.400   8.650  1.00 94.28           O  
+ATOM   4722  CG  ASP B 800       1.273  12.922   6.354  1.00 94.28           C  
+ATOM   4723  OD1 ASP B 800       0.713  12.308   7.287  1.00 94.28           O  
+ATOM   4724  OD2 ASP B 800       1.638  12.356   5.301  1.00 94.28           O  
+ATOM   4725  N   ASP B 801       0.634  17.483   7.699  1.00 94.68           N  
+ATOM   4726  CA  ASP B 801       1.129  18.779   8.154  1.00 94.68           C  
+ATOM   4727  C   ASP B 801       0.614  19.102   9.554  1.00 94.68           C  
+ATOM   4728  CB  ASP B 801       0.720  19.882   7.175  1.00 94.68           C  
+ATOM   4729  O   ASP B 801       0.741  20.236  10.022  1.00 94.68           O  
+ATOM   4730  CG  ASP B 801      -0.781  20.101   7.122  1.00 94.68           C  
+ATOM   4731  OD1 ASP B 801      -1.512  19.530   7.960  1.00 94.68           O  
+ATOM   4732  OD2 ASP B 801      -1.239  20.850   6.231  1.00 94.68           O  
+ATOM   4733  N   ALA B 802      -0.041  18.167  10.151  1.00 95.31           N  
+ATOM   4734  CA  ALA B 802      -0.469  18.179  11.547  1.00 95.31           C  
+ATOM   4735  C   ALA B 802      -1.686  19.079  11.740  1.00 95.31           C  
+ATOM   4736  CB  ALA B 802       0.674  18.635  12.450  1.00 95.31           C  
+ATOM   4737  O   ALA B 802      -1.972  19.517  12.857  1.00 95.31           O  
+ATOM   4738  N   THR B 803      -2.395  19.427  10.645  1.00 97.96           N  
+ATOM   4739  CA  THR B 803      -3.553  20.305  10.760  1.00 97.96           C  
+ATOM   4740  C   THR B 803      -4.804  19.627  10.208  1.00 97.96           C  
+ATOM   4741  CB  THR B 803      -3.320  21.636  10.021  1.00 97.96           C  
+ATOM   4742  O   THR B 803      -4.711  18.736   9.360  1.00 97.96           O  
+ATOM   4743  CG2 THR B 803      -2.039  22.313  10.498  1.00 97.96           C  
+ATOM   4744  OG1 THR B 803      -3.219  21.384   8.614  1.00 97.96           O  
+ATOM   4745  N   CYS B 804      -5.998  19.970  10.845  1.00 98.24           N  
+ATOM   4746  CA  CYS B 804      -7.305  19.774  10.229  1.00 98.24           C  
+ATOM   4747  C   CYS B 804      -7.794  21.057   9.567  1.00 98.24           C  
+ATOM   4748  CB  CYS B 804      -8.323  19.307  11.269  1.00 98.24           C  
+ATOM   4749  O   CYS B 804      -7.542  22.154  10.067  1.00 98.24           O  
+ATOM   4750  SG  CYS B 804      -7.919  17.714  12.018  1.00 98.24           S  
+ATOM   4751  N   ARG B 805      -8.425  20.866   8.464  1.00 98.37           N  
+ATOM   4752  CA  ARG B 805      -9.012  22.026   7.800  1.00 98.37           C  
+ATOM   4753  C   ARG B 805     -10.484  21.789   7.482  1.00 98.37           C  
+ATOM   4754  CB  ARG B 805      -8.245  22.357   6.518  1.00 98.37           C  
+ATOM   4755  O   ARG B 805     -10.865  20.694   7.062  1.00 98.37           O  
+ATOM   4756  CG  ARG B 805      -6.811  22.803   6.755  1.00 98.37           C  
+ATOM   4757  CD  ARG B 805      -6.138  23.248   5.465  1.00 98.37           C  
+ATOM   4758  NE  ARG B 805      -4.771  23.704   5.699  1.00 98.37           N  
+ATOM   4759  NH1 ARG B 805      -4.698  25.095   3.856  1.00 98.37           N  
+ATOM   4760  NH2 ARG B 805      -2.876  24.916   5.235  1.00 98.37           N  
+ATOM   4761  CZ  ARG B 805      -4.118  24.570   4.930  1.00 98.37           C  
+ATOM   4762  N   LEU B 806     -11.265  22.829   7.670  1.00 98.32           N  
+ATOM   4763  CA  LEU B 806     -12.693  22.816   7.373  1.00 98.32           C  
+ATOM   4764  C   LEU B 806     -12.991  23.601   6.099  1.00 98.32           C  
+ATOM   4765  CB  LEU B 806     -13.490  23.399   8.543  1.00 98.32           C  
+ATOM   4766  O   LEU B 806     -12.613  24.769   5.982  1.00 98.32           O  
+ATOM   4767  CG  LEU B 806     -15.011  23.420   8.384  1.00 98.32           C  
+ATOM   4768  CD1 LEU B 806     -15.554  21.998   8.293  1.00 98.32           C  
+ATOM   4769  CD2 LEU B 806     -15.660  24.172   9.541  1.00 98.32           C  
+ATOM   4770  N   PHE B 807     -13.688  22.940   5.178  1.00 97.48           N  
+ATOM   4771  CA  PHE B 807     -14.047  23.534   3.895  1.00 97.48           C  
+ATOM   4772  C   PHE B 807     -15.560  23.574   3.721  1.00 97.48           C  
+ATOM   4773  CB  PHE B 807     -13.406  22.754   2.742  1.00 97.48           C  
+ATOM   4774  O   PHE B 807     -16.261  22.640   4.116  1.00 97.48           O  
+ATOM   4775  CG  PHE B 807     -11.903  22.717   2.797  1.00 97.48           C  
+ATOM   4776  CD1 PHE B 807     -11.147  23.722   2.207  1.00 97.48           C  
+ATOM   4777  CD2 PHE B 807     -11.246  21.675   3.438  1.00 97.48           C  
+ATOM   4778  CE1 PHE B 807      -9.755  23.690   2.256  1.00 97.48           C  
+ATOM   4779  CE2 PHE B 807      -9.855  21.636   3.491  1.00 97.48           C  
+ATOM   4780  CZ  PHE B 807      -9.112  22.643   2.898  1.00 97.48           C  
+ATOM   4781  N   ASP B 808     -16.018  24.611   3.123  1.00 95.31           N  
+ATOM   4782  CA  ASP B 808     -17.437  24.755   2.812  1.00 95.31           C  
+ATOM   4783  C   ASP B 808     -17.682  24.661   1.308  1.00 95.31           C  
+ATOM   4784  CB  ASP B 808     -17.972  26.083   3.351  1.00 95.31           C  
+ATOM   4785  O   ASP B 808     -17.016  25.338   0.522  1.00 95.31           O  
+ATOM   4786  CG  ASP B 808     -19.481  26.206   3.234  1.00 95.31           C  
+ATOM   4787  OD1 ASP B 808     -19.981  26.565   2.146  1.00 95.31           O  
+ATOM   4788  OD2 ASP B 808     -20.176  25.943   4.239  1.00 95.31           O  
+ATOM   4789  N   LEU B 809     -18.681  23.836   0.921  1.00 95.54           N  
+ATOM   4790  CA  LEU B 809     -18.947  23.574  -0.489  1.00 95.54           C  
+ATOM   4791  C   LEU B 809     -19.571  24.793  -1.160  1.00 95.54           C  
+ATOM   4792  CB  LEU B 809     -19.869  22.363  -0.645  1.00 95.54           C  
+ATOM   4793  O   LEU B 809     -19.289  25.078  -2.326  1.00 95.54           O  
+ATOM   4794  CG  LEU B 809     -19.343  21.035  -0.097  1.00 95.54           C  
+ATOM   4795  CD1 LEU B 809     -20.334  19.912  -0.387  1.00 95.54           C  
+ATOM   4796  CD2 LEU B 809     -17.976  20.715  -0.691  1.00 95.54           C  
+ATOM   4797  N   ARG B 810     -20.315  25.525  -0.462  1.00 93.10           N  
+ATOM   4798  CA  ARG B 810     -21.038  26.656  -1.035  1.00 93.10           C  
+ATOM   4799  C   ARG B 810     -20.118  27.859  -1.216  1.00 93.10           C  
+ATOM   4800  CB  ARG B 810     -22.230  27.035  -0.153  1.00 93.10           C  
+ATOM   4801  O   ARG B 810     -20.186  28.551  -2.234  1.00 93.10           O  
+ATOM   4802  CG  ARG B 810     -23.254  25.923   0.010  1.00 93.10           C  
+ATOM   4803  CD  ARG B 810     -24.220  26.210   1.151  1.00 93.10           C  
+ATOM   4804  NE  ARG B 810     -23.527  26.315   2.431  1.00 93.10           N  
+ATOM   4805  NH1 ARG B 810     -25.416  26.861   3.644  1.00 93.10           N  
+ATOM   4806  NH2 ARG B 810     -23.385  26.690   4.693  1.00 93.10           N  
+ATOM   4807  CZ  ARG B 810     -24.111  26.622   3.586  1.00 93.10           C  
+ATOM   4808  N   ALA B 811     -19.303  28.032  -0.237  1.00 90.34           N  
+ATOM   4809  CA  ALA B 811     -18.359  29.146  -0.269  1.00 90.34           C  
+ATOM   4810  C   ALA B 811     -17.151  28.818  -1.141  1.00 90.34           C  
+ATOM   4811  CB  ALA B 811     -17.909  29.503   1.146  1.00 90.34           C  
+ATOM   4812  O   ALA B 811     -16.405  29.714  -1.542  1.00 90.34           O  
+ATOM   4813  N   ASP B 812     -17.025  27.554  -1.444  1.00 90.37           N  
+ATOM   4814  CA  ASP B 812     -15.920  27.041  -2.246  1.00 90.37           C  
+ATOM   4815  C   ASP B 812     -14.575  27.499  -1.686  1.00 90.37           C  
+ATOM   4816  CB  ASP B 812     -16.061  27.487  -3.703  1.00 90.37           C  
+ATOM   4817  O   ASP B 812     -13.704  27.944  -2.435  1.00 90.37           O  
+ATOM   4818  CG  ASP B 812     -15.199  26.679  -4.657  1.00 90.37           C  
+ATOM   4819  OD1 ASP B 812     -14.884  25.509  -4.352  1.00 90.37           O  
+ATOM   4820  OD2 ASP B 812     -14.829  27.219  -5.722  1.00 90.37           O  
+ATOM   4821  N   GLN B 813     -14.364  27.434  -0.381  1.00 90.53           N  
+ATOM   4822  CA  GLN B 813     -13.099  27.834   0.226  1.00 90.53           C  
+ATOM   4823  C   GLN B 813     -12.937  27.221   1.614  1.00 90.53           C  
+ATOM   4824  CB  GLN B 813     -13.001  29.358   0.310  1.00 90.53           C  
+ATOM   4825  O   GLN B 813     -13.884  26.653   2.162  1.00 90.53           O  
+ATOM   4826  CG  GLN B 813     -14.067  29.994   1.193  1.00 90.53           C  
+ATOM   4827  CD  GLN B 813     -13.990  31.510   1.205  1.00 90.53           C  
+ATOM   4828  NE2 GLN B 813     -14.680  32.130   2.156  1.00 90.53           N  
+ATOM   4829  OE1 GLN B 813     -13.317  32.117   0.367  1.00 90.53           O  
+ATOM   4830  N   GLU B 814     -11.706  27.397   2.130  1.00 93.90           N  
+ATOM   4831  CA  GLU B 814     -11.385  26.976   3.491  1.00 93.90           C  
+ATOM   4832  C   GLU B 814     -12.001  27.921   4.520  1.00 93.90           C  
+ATOM   4833  CB  GLU B 814      -9.869  26.900   3.688  1.00 93.90           C  
+ATOM   4834  O   GLU B 814     -11.896  29.142   4.390  1.00 93.90           O  
+ATOM   4835  CG  GLU B 814      -9.450  26.514   5.099  1.00 93.90           C  
+ATOM   4836  CD  GLU B 814      -7.948  26.589   5.321  1.00 93.90           C  
+ATOM   4837  OE1 GLU B 814      -7.517  26.890   6.457  1.00 93.90           O  
+ATOM   4838  OE2 GLU B 814      -7.196  26.346   4.350  1.00 93.90           O  
+ATOM   4839  N   LEU B 815     -12.681  27.353   5.586  1.00 94.50           N  
+ATOM   4840  CA  LEU B 815     -13.334  28.162   6.609  1.00 94.50           C  
+ATOM   4841  C   LEU B 815     -12.447  28.301   7.842  1.00 94.50           C  
+ATOM   4842  CB  LEU B 815     -14.680  27.546   7.001  1.00 94.50           C  
+ATOM   4843  O   LEU B 815     -12.415  29.359   8.473  1.00 94.50           O  
+ATOM   4844  CG  LEU B 815     -15.751  27.507   5.910  1.00 94.50           C  
+ATOM   4845  CD1 LEU B 815     -17.060  26.963   6.472  1.00 94.50           C  
+ATOM   4846  CD2 LEU B 815     -15.956  28.895   5.312  1.00 94.50           C  
+ATOM   4847  N   MET B 816     -11.762  27.233   8.193  1.00 96.33           N  
+ATOM   4848  CA  MET B 816     -11.049  27.226   9.467  1.00 96.33           C  
+ATOM   4849  C   MET B 816      -9.942  26.178   9.465  1.00 96.33           C  
+ATOM   4850  CB  MET B 816     -12.016  26.964  10.623  1.00 96.33           C  
+ATOM   4851  O   MET B 816     -10.049  25.156   8.785  1.00 96.33           O  
+ATOM   4852  CG  MET B 816     -11.401  27.179  11.997  1.00 96.33           C  
+ATOM   4853  SD  MET B 816     -12.634  27.729  13.240  1.00 96.33           S  
+ATOM   4854  CE  MET B 816     -12.734  29.494  12.833  1.00 96.33           C  
+ATOM   4855  N   THR B 817      -8.841  26.489  10.195  1.00 97.39           N  
+ATOM   4856  CA  THR B 817      -7.732  25.570  10.423  1.00 97.39           C  
+ATOM   4857  C   THR B 817      -7.606  25.233  11.906  1.00 97.39           C  
+ATOM   4858  CB  THR B 817      -6.404  26.160   9.913  1.00 97.39           C  
+ATOM   4859  O   THR B 817      -7.642  26.125  12.756  1.00 97.39           O  
+ATOM   4860  CG2 THR B 817      -5.256  25.173  10.099  1.00 97.39           C  
+ATOM   4861  OG1 THR B 817      -6.530  26.472   8.521  1.00 97.39           O  
+ATOM   4862  N   TYR B 818      -7.488  23.941  12.164  1.00 97.53           N  
+ATOM   4863  CA  TYR B 818      -7.331  23.448  13.528  1.00 97.53           C  
+ATOM   4864  C   TYR B 818      -5.911  22.949  13.767  1.00 97.53           C  
+ATOM   4865  CB  TYR B 818      -8.333  22.326  13.812  1.00 97.53           C  
+ATOM   4866  O   TYR B 818      -5.501  21.930  13.206  1.00 97.53           O  
+ATOM   4867  CG  TYR B 818      -9.758  22.680  13.460  1.00 97.53           C  
+ATOM   4868  CD1 TYR B 818     -10.637  23.161  14.428  1.00 97.53           C  
+ATOM   4869  CD2 TYR B 818     -10.227  22.534  12.159  1.00 97.53           C  
+ATOM   4870  CE1 TYR B 818     -11.950  23.487  14.108  1.00 97.53           C  
+ATOM   4871  CE2 TYR B 818     -11.539  22.857  11.828  1.00 97.53           C  
+ATOM   4872  OH  TYR B 818     -13.691  23.653  12.485  1.00 97.53           O  
+ATOM   4873  CZ  TYR B 818     -12.392  23.332  12.807  1.00 97.53           C  
+ATOM   4874  N   SER B 819      -5.190  23.648  14.637  1.00 95.71           N  
+ATOM   4875  CA  SER B 819      -3.792  23.327  14.908  1.00 95.71           C  
+ATOM   4876  C   SER B 819      -3.408  23.695  16.337  1.00 95.71           C  
+ATOM   4877  CB  SER B 819      -2.875  24.051  13.922  1.00 95.71           C  
+ATOM   4878  O   SER B 819      -4.119  24.451  17.002  1.00 95.71           O  
+ATOM   4879  OG  SER B 819      -2.939  25.454  14.112  1.00 95.71           O  
+ATOM   4880  N   HIS B 820      -2.440  23.008  16.810  1.00 91.78           N  
+ATOM   4881  CA  HIS B 820      -1.852  23.278  18.118  1.00 91.78           C  
+ATOM   4882  C   HIS B 820      -0.332  23.165  18.072  1.00 91.78           C  
+ATOM   4883  CB  HIS B 820      -2.418  22.319  19.167  1.00 91.78           C  
+ATOM   4884  O   HIS B 820       0.211  22.321  17.356  1.00 91.78           O  
+ATOM   4885  CG  HIS B 820      -2.181  22.763  20.576  1.00 91.78           C  
+ATOM   4886  CD2 HIS B 820      -3.016  23.315  21.486  1.00 91.78           C  
+ATOM   4887  ND1 HIS B 820      -0.952  22.660  21.191  1.00 91.78           N  
+ATOM   4888  CE1 HIS B 820      -1.043  23.130  22.424  1.00 91.78           C  
+ATOM   4889  NE2 HIS B 820      -2.286  23.534  22.628  1.00 91.78           N  
+ATOM   4890  N   ASP B 821       0.410  24.078  18.784  1.00 87.61           N  
+ATOM   4891  CA  ASP B 821       1.866  24.190  18.761  1.00 87.61           C  
+ATOM   4892  C   ASP B 821       2.523  22.900  19.250  1.00 87.61           C  
+ATOM   4893  CB  ASP B 821       2.327  25.371  19.617  1.00 87.61           C  
+ATOM   4894  O   ASP B 821       3.630  22.563  18.827  1.00 87.61           O  
+ATOM   4895  CG  ASP B 821       1.992  26.717  18.999  1.00 87.61           C  
+ATOM   4896  OD1 ASP B 821       1.761  26.785  17.772  1.00 87.61           O  
+ATOM   4897  OD2 ASP B 821       1.960  27.720  19.744  1.00 87.61           O  
+ATOM   4898  N   ASN B 822       1.829  22.103  20.033  1.00 86.62           N  
+ATOM   4899  CA  ASN B 822       2.413  20.900  20.615  1.00 86.62           C  
+ATOM   4900  C   ASN B 822       2.118  19.666  19.767  1.00 86.62           C  
+ATOM   4901  CB  ASN B 822       1.908  20.694  22.045  1.00 86.62           C  
+ATOM   4902  O   ASN B 822       2.635  18.581  20.040  1.00 86.62           O  
+ATOM   4903  CG  ASN B 822       2.431  21.744  23.006  1.00 86.62           C  
+ATOM   4904  ND2 ASN B 822       1.658  22.035  24.045  1.00 86.62           N  
+ATOM   4905  OD1 ASN B 822       3.521  22.290  22.815  1.00 86.62           O  
+ATOM   4906  N   ILE B 823       1.324  19.883  18.727  1.00 86.03           N  
+ATOM   4907  CA  ILE B 823       0.979  18.766  17.855  1.00 86.03           C  
+ATOM   4908  C   ILE B 823       1.747  18.883  16.540  1.00 86.03           C  
+ATOM   4909  CB  ILE B 823      -0.541  18.708  17.584  1.00 86.03           C  
+ATOM   4910  O   ILE B 823       1.451  19.751  15.716  1.00 86.03           O  
+ATOM   4911  CG1 ILE B 823      -1.314  18.593  18.903  1.00 86.03           C  
+ATOM   4912  CG2 ILE B 823      -0.879  17.544  16.648  1.00 86.03           C  
+ATOM   4913  CD1 ILE B 823      -2.824  18.709  18.748  1.00 86.03           C  
+ATOM   4914  N   ILE B 824       2.746  17.992  16.413  1.00 84.25           N  
+ATOM   4915  CA  ILE B 824       3.586  18.106  15.226  1.00 84.25           C  
+ATOM   4916  C   ILE B 824       3.476  16.833  14.391  1.00 84.25           C  
+ATOM   4917  CB  ILE B 824       5.061  18.375  15.601  1.00 84.25           C  
+ATOM   4918  O   ILE B 824       4.056  16.741  13.307  1.00 84.25           O  
+ATOM   4919  CG1 ILE B 824       5.560  17.320  16.595  1.00 84.25           C  
+ATOM   4920  CG2 ILE B 824       5.224  19.787  16.173  1.00 84.25           C  
+ATOM   4921  CD1 ILE B 824       7.061  17.366  16.845  1.00 84.25           C  
+ATOM   4922  N   CYS B 825       2.677  15.941  14.866  1.00 89.06           N  
+ATOM   4923  CA  CYS B 825       2.551  14.661  14.177  1.00 89.06           C  
+ATOM   4924  C   CYS B 825       1.370  14.674  13.215  1.00 89.06           C  
+ATOM   4925  CB  CYS B 825       2.388  13.524  15.185  1.00 89.06           C  
+ATOM   4926  O   CYS B 825       0.457  15.490  13.356  1.00 89.06           O  
+ATOM   4927  SG  CYS B 825       1.216  13.888  16.510  1.00 89.06           S  
+ATOM   4928  N   GLY B 826       1.460  13.846  12.206  1.00 91.90           N  
+ATOM   4929  CA  GLY B 826       0.441  13.781  11.171  1.00 91.90           C  
+ATOM   4930  C   GLY B 826      -0.883  13.235  11.669  1.00 91.90           C  
+ATOM   4931  O   GLY B 826      -0.917  12.435  12.607  1.00 91.90           O  
+ATOM   4932  N   ILE B 827      -1.934  13.704  11.073  1.00 97.51           N  
+ATOM   4933  CA  ILE B 827      -3.296  13.277  11.378  1.00 97.51           C  
+ATOM   4934  C   ILE B 827      -3.639  12.029  10.568  1.00 97.51           C  
+ATOM   4935  CB  ILE B 827      -4.317  14.400  11.090  1.00 97.51           C  
+ATOM   4936  O   ILE B 827      -3.393  11.978   9.360  1.00 97.51           O  
+ATOM   4937  CG1 ILE B 827      -4.031  15.621  11.972  1.00 97.51           C  
+ATOM   4938  CG2 ILE B 827      -5.748  13.895  11.301  1.00 97.51           C  
+ATOM   4939  CD1 ILE B 827      -4.774  16.880  11.545  1.00 97.51           C  
+ATOM   4940  N   THR B 828      -4.312  11.071  11.222  1.00 97.48           N  
+ATOM   4941  CA  THR B 828      -4.561   9.796  10.557  1.00 97.48           C  
+ATOM   4942  C   THR B 828      -6.057   9.572  10.359  1.00 97.48           C  
+ATOM   4943  CB  THR B 828      -3.964   8.623  11.357  1.00 97.48           C  
+ATOM   4944  O   THR B 828      -6.464   8.779   9.507  1.00 97.48           O  
+ATOM   4945  CG2 THR B 828      -2.444   8.719  11.422  1.00 97.48           C  
+ATOM   4946  OG1 THR B 828      -4.491   8.645  12.690  1.00 97.48           O  
+ATOM   4947  N   SER B 829      -6.893  10.180  11.156  1.00 98.11           N  
+ATOM   4948  CA  SER B 829      -8.338  10.002  11.059  1.00 98.11           C  
+ATOM   4949  C   SER B 829      -9.083  11.225  11.584  1.00 98.11           C  
+ATOM   4950  CB  SER B 829      -8.779   8.757  11.830  1.00 98.11           C  
+ATOM   4951  O   SER B 829      -8.569  11.953  12.437  1.00 98.11           O  
+ATOM   4952  OG  SER B 829      -8.418   8.859  13.197  1.00 98.11           O  
+ATOM   4953  N   VAL B 830     -10.271  11.497  10.970  1.00 98.47           N  
+ATOM   4954  CA  VAL B 830     -11.086  12.633  11.388  1.00 98.47           C  
+ATOM   4955  C   VAL B 830     -12.560  12.237  11.394  1.00 98.47           C  
+ATOM   4956  CB  VAL B 830     -10.866  13.857  10.471  1.00 98.47           C  
+ATOM   4957  O   VAL B 830     -12.989  11.405  10.591  1.00 98.47           O  
+ATOM   4958  CG1 VAL B 830      -9.445  14.397  10.622  1.00 98.47           C  
+ATOM   4959  CG2 VAL B 830     -11.150  13.491   9.016  1.00 98.47           C  
+ATOM   4960  N   SER B 831     -13.337  12.804  12.347  1.00 98.33           N  
+ATOM   4961  CA  SER B 831     -14.780  12.603  12.423  1.00 98.33           C  
+ATOM   4962  C   SER B 831     -15.459  13.748  13.168  1.00 98.33           C  
+ATOM   4963  CB  SER B 831     -15.102  11.275  13.109  1.00 98.33           C  
+ATOM   4964  O   SER B 831     -14.868  14.347  14.068  1.00 98.33           O  
+ATOM   4965  OG  SER B 831     -16.478  10.963  12.981  1.00 98.33           O  
+ATOM   4966  N   PHE B 832     -16.691  14.051  12.756  1.00 98.44           N  
+ATOM   4967  CA  PHE B 832     -17.485  15.057  13.450  1.00 98.44           C  
+ATOM   4968  C   PHE B 832     -18.428  14.404  14.454  1.00 98.44           C  
+ATOM   4969  CB  PHE B 832     -18.285  15.898  12.449  1.00 98.44           C  
+ATOM   4970  O   PHE B 832     -18.863  13.268  14.257  1.00 98.44           O  
+ATOM   4971  CG  PHE B 832     -17.470  16.958  11.760  1.00 98.44           C  
+ATOM   4972  CD1 PHE B 832     -17.119  18.127  12.425  1.00 98.44           C  
+ATOM   4973  CD2 PHE B 832     -17.054  16.787  10.446  1.00 98.44           C  
+ATOM   4974  CE1 PHE B 832     -16.365  19.111  11.789  1.00 98.44           C  
+ATOM   4975  CE2 PHE B 832     -16.300  17.765   9.804  1.00 98.44           C  
+ATOM   4976  CZ  PHE B 832     -15.957  18.927  10.477  1.00 98.44           C  
+ATOM   4977  N   SER B 833     -18.660  15.168  15.486  1.00 97.64           N  
+ATOM   4978  CA  SER B 833     -19.836  14.815  16.275  1.00 97.64           C  
+ATOM   4979  C   SER B 833     -21.117  14.996  15.468  1.00 97.64           C  
+ATOM   4980  CB  SER B 833     -19.902  15.660  17.547  1.00 97.64           C  
+ATOM   4981  O   SER B 833     -21.131  15.719  14.469  1.00 97.64           O  
+ATOM   4982  OG  SER B 833     -20.106  17.027  17.234  1.00 97.64           O  
+ATOM   4983  N   LYS B 834     -22.175  14.324  15.909  1.00 95.91           N  
+ATOM   4984  CA  LYS B 834     -23.411  14.380  15.133  1.00 95.91           C  
+ATOM   4985  C   LYS B 834     -23.997  15.789  15.131  1.00 95.91           C  
+ATOM   4986  CB  LYS B 834     -24.435  13.386  15.683  1.00 95.91           C  
+ATOM   4987  O   LYS B 834     -24.648  16.195  14.167  1.00 95.91           O  
+ATOM   4988  CG  LYS B 834     -24.121  11.932  15.364  1.00 95.91           C  
+ATOM   4989  CD  LYS B 834     -23.952  11.712  13.866  1.00 95.91           C  
+ATOM   4990  CE  LYS B 834     -23.490  10.294  13.557  1.00 95.91           C  
+ATOM   4991  NZ  LYS B 834     -23.296  10.082  12.091  1.00 95.91           N  
+ATOM   4992  N   SER B 835     -23.733  16.584  16.167  1.00 95.77           N  
+ATOM   4993  CA  SER B 835     -24.160  17.978  16.218  1.00 95.77           C  
+ATOM   4994  C   SER B 835     -23.313  18.850  15.297  1.00 95.77           C  
+ATOM   4995  CB  SER B 835     -24.083  18.510  17.650  1.00 95.77           C  
+ATOM   4996  O   SER B 835     -23.729  19.945  14.914  1.00 95.77           O  
+ATOM   4997  OG  SER B 835     -22.735  18.631  18.070  1.00 95.77           O  
+ATOM   4998  N   GLY B 836     -22.122  18.338  14.971  1.00 96.94           N  
+ATOM   4999  CA  GLY B 836     -21.182  19.120  14.183  1.00 96.94           C  
+ATOM   5000  C   GLY B 836     -20.372  20.095  15.016  1.00 96.94           C  
+ATOM   5001  O   GLY B 836     -19.526  20.818  14.487  1.00 96.94           O  
+ATOM   5002  N   ARG B 837     -20.560  20.115  16.338  1.00 96.31           N  
+ATOM   5003  CA  ARG B 837     -19.943  21.063  17.259  1.00 96.31           C  
+ATOM   5004  C   ARG B 837     -18.525  20.633  17.619  1.00 96.31           C  
+ATOM   5005  CB  ARG B 837     -20.785  21.206  18.529  1.00 96.31           C  
+ATOM   5006  O   ARG B 837     -17.693  21.465  17.988  1.00 96.31           O  
+ATOM   5007  CG  ARG B 837     -20.238  22.222  19.519  1.00 96.31           C  
+ATOM   5008  CD  ARG B 837     -20.242  23.631  18.943  1.00 96.31           C  
+ATOM   5009  NE  ARG B 837     -19.773  24.613  19.916  1.00 96.31           N  
+ATOM   5010  NH1 ARG B 837     -19.836  26.400  18.453  1.00 96.31           N  
+ATOM   5011  NH2 ARG B 837     -19.161  26.711  20.622  1.00 96.31           N  
+ATOM   5012  CZ  ARG B 837     -19.591  25.906  19.662  1.00 96.31           C  
+ATOM   5013  N   LEU B 838     -18.254  19.335  17.451  1.00 97.96           N  
+ATOM   5014  CA  LEU B 838     -16.930  18.812  17.769  1.00 97.96           C  
+ATOM   5015  C   LEU B 838     -16.289  18.173  16.541  1.00 97.96           C  
+ATOM   5016  CB  LEU B 838     -17.017  17.789  18.904  1.00 97.96           C  
+ATOM   5017  O   LEU B 838     -16.963  17.488  15.769  1.00 97.96           O  
+ATOM   5018  CG  LEU B 838     -17.683  18.265  20.196  1.00 97.96           C  
+ATOM   5019  CD1 LEU B 838     -17.753  17.125  21.208  1.00 97.96           C  
+ATOM   5020  CD2 LEU B 838     -16.931  19.457  20.778  1.00 97.96           C  
+ATOM   5021  N   LEU B 839     -15.041  18.489  16.343  1.00 98.49           N  
+ATOM   5022  CA  LEU B 839     -14.194  17.789  15.382  1.00 98.49           C  
+ATOM   5023  C   LEU B 839     -13.162  16.924  16.097  1.00 98.49           C  
+ATOM   5024  CB  LEU B 839     -13.490  18.789  14.461  1.00 98.49           C  
+ATOM   5025  O   LEU B 839     -12.347  17.433  16.870  1.00 98.49           O  
+ATOM   5026  CG  LEU B 839     -12.482  18.203  13.471  1.00 98.49           C  
+ATOM   5027  CD1 LEU B 839     -13.184  17.271  12.489  1.00 98.49           C  
+ATOM   5028  CD2 LEU B 839     -11.752  19.318  12.728  1.00 98.49           C  
+ATOM   5029  N   LEU B 840     -13.266  15.580  15.867  1.00 98.43           N  
+ATOM   5030  CA  LEU B 840     -12.331  14.625  16.451  1.00 98.43           C  
+ATOM   5031  C   LEU B 840     -11.248  14.242  15.448  1.00 98.43           C  
+ATOM   5032  CB  LEU B 840     -13.071  13.371  16.924  1.00 98.43           C  
+ATOM   5033  O   LEU B 840     -11.546  13.935  14.292  1.00 98.43           O  
+ATOM   5034  CG  LEU B 840     -14.180  13.587  17.955  1.00 98.43           C  
+ATOM   5035  CD1 LEU B 840     -15.544  13.589  17.273  1.00 98.43           C  
+ATOM   5036  CD2 LEU B 840     -14.120  12.515  19.038  1.00 98.43           C  
+ATOM   5037  N   ALA B 841      -9.960  14.256  15.943  1.00 98.40           N  
+ATOM   5038  CA  ALA B 841      -8.850  13.918  15.056  1.00 98.40           C  
+ATOM   5039  C   ALA B 841      -7.856  12.992  15.751  1.00 98.40           C  
+ATOM   5040  CB  ALA B 841      -8.147  15.185  14.577  1.00 98.40           C  
+ATOM   5041  O   ALA B 841      -7.361  13.304  16.836  1.00 98.40           O  
+ATOM   5042  N   GLY B 842      -7.573  11.856  15.129  1.00 97.99           N  
+ATOM   5043  CA  GLY B 842      -6.546  10.937  15.592  1.00 97.99           C  
+ATOM   5044  C   GLY B 842      -5.168  11.257  15.045  1.00 97.99           C  
+ATOM   5045  O   GLY B 842      -5.029  11.631  13.878  1.00 97.99           O  
+ATOM   5046  N   TYR B 843      -4.162  11.004  15.884  1.00 96.50           N  
+ATOM   5047  CA  TYR B 843      -2.816  11.419  15.505  1.00 96.50           C  
+ATOM   5048  C   TYR B 843      -1.826  10.271  15.661  1.00 96.50           C  
+ATOM   5049  CB  TYR B 843      -2.364  12.616  16.348  1.00 96.50           C  
+ATOM   5050  O   TYR B 843      -2.116   9.281  16.338  1.00 96.50           O  
+ATOM   5051  CG  TYR B 843      -3.083  13.900  16.013  1.00 96.50           C  
+ATOM   5052  CD1 TYR B 843      -2.477  14.874  15.222  1.00 96.50           C  
+ATOM   5053  CD2 TYR B 843      -4.367  14.143  16.487  1.00 96.50           C  
+ATOM   5054  CE1 TYR B 843      -3.134  16.060  14.912  1.00 96.50           C  
+ATOM   5055  CE2 TYR B 843      -5.034  15.326  16.183  1.00 96.50           C  
+ATOM   5056  OH  TYR B 843      -5.066  17.449  15.092  1.00 96.50           O  
+ATOM   5057  CZ  TYR B 843      -4.410  16.276  15.396  1.00 96.50           C  
+ATOM   5058  N   ASP B 844      -0.643  10.480  15.105  1.00 91.78           N  
+ATOM   5059  CA  ASP B 844       0.476   9.546  15.184  1.00 91.78           C  
+ATOM   5060  C   ASP B 844       1.071   9.520  16.590  1.00 91.78           C  
+ATOM   5061  CB  ASP B 844       1.554   9.913  14.163  1.00 91.78           C  
+ATOM   5062  O   ASP B 844       1.795   8.588  16.946  1.00 91.78           O  
+ATOM   5063  CG  ASP B 844       1.235   9.424  12.761  1.00 91.78           C  
+ATOM   5064  OD1 ASP B 844       0.537   8.397  12.618  1.00 91.78           O  
+ATOM   5065  OD2 ASP B 844       1.688  10.069  11.791  1.00 91.78           O  
+ATOM   5066  N   ASP B 845       0.773  10.493  17.356  1.00 91.06           N  
+ATOM   5067  CA  ASP B 845       1.335  10.592  18.699  1.00 91.06           C  
+ATOM   5068  C   ASP B 845       0.486   9.823  19.708  1.00 91.06           C  
+ATOM   5069  CB  ASP B 845       1.459  12.057  19.122  1.00 91.06           C  
+ATOM   5070  O   ASP B 845       0.559  10.080  20.912  1.00 91.06           O  
+ATOM   5071  CG  ASP B 845       0.115  12.755  19.243  1.00 91.06           C  
+ATOM   5072  OD1 ASP B 845      -0.915  12.168  18.846  1.00 91.06           O  
+ATOM   5073  OD2 ASP B 845       0.086  13.903  19.737  1.00 91.06           O  
+ATOM   5074  N   PHE B 846      -0.482   9.038  19.230  1.00 94.36           N  
+ATOM   5075  CA  PHE B 846      -1.243   8.074  20.016  1.00 94.36           C  
+ATOM   5076  C   PHE B 846      -2.520   8.705  20.557  1.00 94.36           C  
+ATOM   5077  CB  PHE B 846      -0.396   7.530  21.170  1.00 94.36           C  
+ATOM   5078  O   PHE B 846      -3.328   8.031  21.200  1.00 94.36           O  
+ATOM   5079  CG  PHE B 846       0.975   7.070  20.753  1.00 94.36           C  
+ATOM   5080  CD1 PHE B 846       1.295   6.924  19.409  1.00 94.36           C  
+ATOM   5081  CD2 PHE B 846       1.943   6.783  21.706  1.00 94.36           C  
+ATOM   5082  CE1 PHE B 846       2.563   6.498  19.020  1.00 94.36           C  
+ATOM   5083  CE2 PHE B 846       3.213   6.356  21.325  1.00 94.36           C  
+ATOM   5084  CZ  PHE B 846       3.520   6.214  19.981  1.00 94.36           C  
+ATOM   5085  N   ASN B 847      -2.656  10.038  20.357  1.00 95.27           N  
+ATOM   5086  CA  ASN B 847      -3.792  10.747  20.935  1.00 95.27           C  
+ATOM   5087  C   ASN B 847      -4.853  11.060  19.883  1.00 95.27           C  
+ATOM   5088  CB  ASN B 847      -3.329  12.034  21.621  1.00 95.27           C  
+ATOM   5089  O   ASN B 847      -4.552  11.115  18.690  1.00 95.27           O  
+ATOM   5090  CG  ASN B 847      -2.418  11.770  22.804  1.00 95.27           C  
+ATOM   5091  ND2 ASN B 847      -1.328  12.523  22.892  1.00 95.27           N  
+ATOM   5092  OD1 ASN B 847      -2.692  10.897  23.631  1.00 95.27           O  
+ATOM   5093  N   CYS B 848      -6.080  11.189  20.346  1.00 97.09           N  
+ATOM   5094  CA  CYS B 848      -7.180  11.784  19.595  1.00 97.09           C  
+ATOM   5095  C   CYS B 848      -7.570  13.136  20.179  1.00 97.09           C  
+ATOM   5096  CB  CYS B 848      -8.391  10.851  19.590  1.00 97.09           C  
+ATOM   5097  O   CYS B 848      -7.986  13.221  21.336  1.00 97.09           O  
+ATOM   5098  SG  CYS B 848      -9.796  11.489  18.652  1.00 97.09           S  
+ATOM   5099  N   ASN B 849      -7.401  14.188  19.391  1.00 97.22           N  
+ATOM   5100  CA  ASN B 849      -7.733  15.535  19.842  1.00 97.22           C  
+ATOM   5101  C   ASN B 849      -9.173  15.903  19.497  1.00 97.22           C  
+ATOM   5102  CB  ASN B 849      -6.766  16.557  19.240  1.00 97.22           C  
+ATOM   5103  O   ASN B 849      -9.656  15.585  18.408  1.00 97.22           O  
+ATOM   5104  CG  ASN B 849      -5.366  16.443  19.811  1.00 97.22           C  
+ATOM   5105  ND2 ASN B 849      -4.497  15.722  19.112  1.00 97.22           N  
+ATOM   5106  OD1 ASN B 849      -5.068  16.997  20.872  1.00 97.22           O  
+ATOM   5107  N   VAL B 850      -9.854  16.539  20.406  1.00 97.83           N  
+ATOM   5108  CA  VAL B 850     -11.221  17.021  20.233  1.00 97.83           C  
+ATOM   5109  C   VAL B 850     -11.220  18.541  20.095  1.00 97.83           C  
+ATOM   5110  CB  VAL B 850     -12.127  16.593  21.410  1.00 97.83           C  
+ATOM   5111  O   VAL B 850     -10.794  19.253  21.008  1.00 97.83           O  
+ATOM   5112  CG1 VAL B 850     -13.578  16.988  21.146  1.00 97.83           C  
+ATOM   5113  CG2 VAL B 850     -12.014  15.088  21.649  1.00 97.83           C  
+ATOM   5114  N   TRP B 851     -11.679  19.011  18.929  1.00 98.09           N  
+ATOM   5115  CA  TRP B 851     -11.651  20.436  18.617  1.00 98.09           C  
+ATOM   5116  C   TRP B 851     -13.054  21.031  18.657  1.00 98.09           C  
+ATOM   5117  CB  TRP B 851     -11.021  20.672  17.241  1.00 98.09           C  
+ATOM   5118  O   TRP B 851     -14.028  20.365  18.295  1.00 98.09           O  
+ATOM   5119  CG  TRP B 851      -9.660  20.064  17.081  1.00 98.09           C  
+ATOM   5120  CD1 TRP B 851      -9.366  18.814  16.612  1.00 98.09           C  
+ATOM   5121  CD2 TRP B 851      -8.408  20.680  17.396  1.00 98.09           C  
+ATOM   5122  CE2 TRP B 851      -7.394  19.745  17.091  1.00 98.09           C  
+ATOM   5123  CE3 TRP B 851      -8.043  21.934  17.905  1.00 98.09           C  
+ATOM   5124  NE1 TRP B 851      -8.005  18.616  16.616  1.00 98.09           N  
+ATOM   5125  CH2 TRP B 851      -5.710  21.258  17.779  1.00 98.09           C  
+ATOM   5126  CZ2 TRP B 851      -6.038  20.024  17.280  1.00 98.09           C  
+ATOM   5127  CZ3 TRP B 851      -6.694  22.210  18.092  1.00 98.09           C  
+ATOM   5128  N   ASP B 852     -13.069  22.228  19.116  1.00 97.85           N  
+ATOM   5129  CA  ASP B 852     -14.262  23.041  18.902  1.00 97.85           C  
+ATOM   5130  C   ASP B 852     -14.359  23.502  17.449  1.00 97.85           C  
+ATOM   5131  CB  ASP B 852     -14.263  24.251  19.839  1.00 97.85           C  
+ATOM   5132  O   ASP B 852     -13.585  24.354  17.010  1.00 97.85           O  
+ATOM   5133  CG  ASP B 852     -15.564  25.033  19.797  1.00 97.85           C  
+ATOM   5134  OD1 ASP B 852     -16.256  25.011  18.756  1.00 97.85           O  
+ATOM   5135  OD2 ASP B 852     -15.899  25.679  20.814  1.00 97.85           O  
+ATOM   5136  N   ALA B 853     -15.377  23.013  16.778  1.00 97.27           N  
+ATOM   5137  CA  ALA B 853     -15.466  23.206  15.333  1.00 97.27           C  
+ATOM   5138  C   ALA B 853     -15.649  24.681  14.987  1.00 97.27           C  
+ATOM   5139  CB  ALA B 853     -16.612  22.381  14.754  1.00 97.27           C  
+ATOM   5140  O   ALA B 853     -15.188  25.142  13.939  1.00 97.27           O  
+ATOM   5141  N   LEU B 854     -16.200  25.486  15.833  1.00 96.63           N  
+ATOM   5142  CA  LEU B 854     -16.529  26.877  15.542  1.00 96.63           C  
+ATOM   5143  C   LEU B 854     -15.411  27.807  16.001  1.00 96.63           C  
+ATOM   5144  CB  LEU B 854     -17.845  27.269  16.217  1.00 96.63           C  
+ATOM   5145  O   LEU B 854     -15.206  28.874  15.417  1.00 96.63           O  
+ATOM   5146  CG  LEU B 854     -19.102  26.551  15.722  1.00 96.63           C  
+ATOM   5147  CD1 LEU B 854     -20.326  27.034  16.492  1.00 96.63           C  
+ATOM   5148  CD2 LEU B 854     -19.286  26.768  14.224  1.00 96.63           C  
+ATOM   5149  N   LYS B 855     -14.602  27.345  17.050  1.00 96.02           N  
+ATOM   5150  CA  LYS B 855     -13.648  28.258  17.673  1.00 96.02           C  
+ATOM   5151  C   LYS B 855     -12.212  27.801  17.434  1.00 96.02           C  
+ATOM   5152  CB  LYS B 855     -13.918  28.375  19.174  1.00 96.02           C  
+ATOM   5153  O   LYS B 855     -11.264  28.510  17.776  1.00 96.02           O  
+ATOM   5154  CG  LYS B 855     -15.284  28.954  19.514  1.00 96.02           C  
+ATOM   5155  CD  LYS B 855     -15.389  30.416  19.101  1.00 96.02           C  
+ATOM   5156  CE  LYS B 855     -16.708  31.031  19.550  1.00 96.02           C  
+ATOM   5157  NZ  LYS B 855     -16.806  32.472  19.169  1.00 96.02           N  
+ATOM   5158  N   ALA B 856     -12.007  26.601  16.963  1.00 95.84           N  
+ATOM   5159  CA  ALA B 856     -10.714  26.007  16.635  1.00 95.84           C  
+ATOM   5160  C   ALA B 856      -9.858  25.830  17.886  1.00 95.84           C  
+ATOM   5161  CB  ALA B 856      -9.979  26.865  15.608  1.00 95.84           C  
+ATOM   5162  O   ALA B 856      -8.628  25.789  17.804  1.00 95.84           O  
+ATOM   5163  N   ASP B 857     -10.574  25.881  19.023  1.00 95.21           N  
+ATOM   5164  CA  ASP B 857      -9.894  25.612  20.286  1.00 95.21           C  
+ATOM   5165  C   ASP B 857      -9.889  24.118  20.600  1.00 95.21           C  
+ATOM   5166  CB  ASP B 857     -10.555  26.387  21.427  1.00 95.21           C  
+ATOM   5167  O   ASP B 857     -10.865  23.417  20.325  1.00 95.21           O  
+ATOM   5168  CG  ASP B 857     -10.363  27.890  21.314  1.00 95.21           C  
+ATOM   5169  OD1 ASP B 857      -9.414  28.333  20.631  1.00 95.21           O  
+ATOM   5170  OD2 ASP B 857     -11.166  28.636  21.914  1.00 95.21           O  
+ATOM   5171  N   ARG B 858      -8.728  23.656  21.088  1.00 95.32           N  
+ATOM   5172  CA  ARG B 858      -8.650  22.275  21.552  1.00 95.32           C  
+ATOM   5173  C   ARG B 858      -9.500  22.068  22.802  1.00 95.32           C  
+ATOM   5174  CB  ARG B 858      -7.199  21.882  21.834  1.00 95.32           C  
+ATOM   5175  O   ARG B 858      -9.166  22.574  23.876  1.00 95.32           O  
+ATOM   5176  CG  ARG B 858      -7.001  20.398  22.096  1.00 95.32           C  
+ATOM   5177  CD  ARG B 858      -5.526  20.031  22.184  1.00 95.32           C  
+ATOM   5178  NE  ARG B 858      -4.919  20.533  23.414  1.00 95.32           N  
+ATOM   5179  NH1 ARG B 858      -2.843  19.603  23.013  1.00 95.32           N  
+ATOM   5180  NH2 ARG B 858      -3.209  20.822  24.919  1.00 95.32           N  
+ATOM   5181  CZ  ARG B 858      -3.658  20.318  23.779  1.00 95.32           C  
+ATOM   5182  N   ALA B 859     -10.658  21.375  22.640  1.00 96.83           N  
+ATOM   5183  CA  ALA B 859     -11.644  21.210  23.705  1.00 96.83           C  
+ATOM   5184  C   ALA B 859     -11.277  20.042  24.616  1.00 96.83           C  
+ATOM   5185  CB  ALA B 859     -13.036  21.002  23.113  1.00 96.83           C  
+ATOM   5186  O   ALA B 859     -11.669  20.011  25.785  1.00 96.83           O  
+ATOM   5187  N   GLY B 860     -10.488  19.058  24.139  1.00 96.28           N  
+ATOM   5188  CA  GLY B 860     -10.115  17.890  24.921  1.00 96.28           C  
+ATOM   5189  C   GLY B 860      -9.192  16.944  24.177  1.00 96.28           C  
+ATOM   5190  O   GLY B 860      -8.938  17.126  22.985  1.00 96.28           O  
+ATOM   5191  N   VAL B 861      -8.619  15.988  24.969  1.00 95.97           N  
+ATOM   5192  CA  VAL B 861      -7.732  14.968  24.420  1.00 95.97           C  
+ATOM   5193  C   VAL B 861      -8.160  13.589  24.917  1.00 95.97           C  
+ATOM   5194  CB  VAL B 861      -6.257  15.236  24.796  1.00 95.97           C  
+ATOM   5195  O   VAL B 861      -8.357  13.388  26.118  1.00 95.97           O  
+ATOM   5196  CG1 VAL B 861      -5.347  14.154  24.219  1.00 95.97           C  
+ATOM   5197  CG2 VAL B 861      -5.826  16.618  24.308  1.00 95.97           C  
+ATOM   5198  N   LEU B 862      -8.397  12.699  23.967  1.00 96.82           N  
+ATOM   5199  CA  LEU B 862      -8.613  11.301  24.326  1.00 96.82           C  
+ATOM   5200  C   LEU B 862      -7.293  10.539  24.361  1.00 96.82           C  
+ATOM   5201  CB  LEU B 862      -9.574  10.636  23.336  1.00 96.82           C  
+ATOM   5202  O   LEU B 862      -6.790  10.112  23.320  1.00 96.82           O  
+ATOM   5203  CG  LEU B 862     -10.862  11.400  23.023  1.00 96.82           C  
+ATOM   5204  CD1 LEU B 862     -11.720  10.611  22.040  1.00 96.82           C  
+ATOM   5205  CD2 LEU B 862     -11.636  11.688  24.305  1.00 96.82           C  
+ATOM   5206  N   ALA B 863      -6.776  10.374  25.596  1.00 94.29           N  
+ATOM   5207  CA  ALA B 863      -5.498   9.697  25.805  1.00 94.29           C  
+ATOM   5208  C   ALA B 863      -5.704   8.302  26.387  1.00 94.29           C  
+ATOM   5209  CB  ALA B 863      -4.601  10.525  26.721  1.00 94.29           C  
+ATOM   5210  O   ALA B 863      -6.275   8.152  27.469  1.00 94.29           O  
+ATOM   5211  N   GLY B 864      -5.472   7.256  25.662  1.00 93.27           N  
+ATOM   5212  CA  GLY B 864      -5.658   5.909  26.177  1.00 93.27           C  
+ATOM   5213  C   GLY B 864      -4.949   4.852  25.352  1.00 93.27           C  
+ATOM   5214  O   GLY B 864      -4.604   3.785  25.865  1.00 93.27           O  
+ATOM   5215  N   HIS B 865      -4.532   5.229  24.203  1.00 97.03           N  
+ATOM   5216  CA  HIS B 865      -3.841   4.278  23.340  1.00 97.03           C  
+ATOM   5217  C   HIS B 865      -2.330   4.355  23.535  1.00 97.03           C  
+ATOM   5218  CB  HIS B 865      -4.194   4.532  21.873  1.00 97.03           C  
+ATOM   5219  O   HIS B 865      -1.807   5.382  23.972  1.00 97.03           O  
+ATOM   5220  CG  HIS B 865      -5.545   4.021  21.485  1.00 97.03           C  
+ATOM   5221  CD2 HIS B 865      -6.668   4.675  21.106  1.00 97.03           C  
+ATOM   5222  ND1 HIS B 865      -5.855   2.678  21.463  1.00 97.03           N  
+ATOM   5223  CE1 HIS B 865      -7.114   2.529  21.085  1.00 97.03           C  
+ATOM   5224  NE2 HIS B 865      -7.629   3.726  20.863  1.00 97.03           N  
+ATOM   5225  N   ASP B 866      -1.635   3.280  23.252  1.00 94.54           N  
+ATOM   5226  CA  ASP B 866      -0.193   3.191  23.464  1.00 94.54           C  
+ATOM   5227  C   ASP B 866       0.560   3.230  22.136  1.00 94.54           C  
+ATOM   5228  CB  ASP B 866       0.158   1.915  24.231  1.00 94.54           C  
+ATOM   5229  O   ASP B 866       1.757   2.938  22.087  1.00 94.54           O  
+ATOM   5230  CG  ASP B 866      -0.347   1.925  25.663  1.00 94.54           C  
+ATOM   5231  OD1 ASP B 866      -0.235   2.969  26.341  1.00 94.54           O  
+ATOM   5232  OD2 ASP B 866      -0.859   0.879  26.117  1.00 94.54           O  
+ATOM   5233  N   ASN B 867      -0.185   3.440  21.134  1.00 95.14           N  
+ATOM   5234  CA  ASN B 867       0.358   3.555  19.785  1.00 95.14           C  
+ATOM   5235  C   ASN B 867      -0.525   4.427  18.897  1.00 95.14           C  
+ATOM   5236  CB  ASN B 867       0.537   2.170  19.158  1.00 95.14           C  
+ATOM   5237  O   ASN B 867      -1.502   5.011  19.369  1.00 95.14           O  
+ATOM   5238  CG  ASN B 867       1.730   2.101  18.224  1.00 95.14           C  
+ATOM   5239  ND2 ASN B 867       2.394   0.952  18.194  1.00 95.14           N  
+ATOM   5240  OD1 ASN B 867       2.052   3.074  17.536  1.00 95.14           O  
+ATOM   5241  N   ARG B 868      -0.159   4.592  17.645  1.00 94.61           N  
+ATOM   5242  CA  ARG B 868      -0.824   5.435  16.656  1.00 94.61           C  
+ATOM   5243  C   ARG B 868      -2.316   5.129  16.590  1.00 94.61           C  
+ATOM   5244  CB  ARG B 868      -0.189   5.247  15.276  1.00 94.61           C  
+ATOM   5245  O   ARG B 868      -2.715   3.964  16.524  1.00 94.61           O  
+ATOM   5246  CG  ARG B 868      -0.929   5.961  14.156  1.00 94.61           C  
+ATOM   5247  CD  ARG B 868      -0.276   5.716  12.803  1.00 94.61           C  
+ATOM   5248  NE  ARG B 868      -0.973   6.423  11.732  1.00 94.61           N  
+ATOM   5249  NH1 ARG B 868       0.395   5.640  10.044  1.00 94.61           N  
+ATOM   5250  NH2 ARG B 868      -1.340   7.055   9.555  1.00 94.61           N  
+ATOM   5251  CZ  ARG B 868      -0.638   6.371  10.446  1.00 94.61           C  
+ATOM   5252  N   VAL B 869      -3.190   6.238  16.723  1.00 97.71           N  
+ATOM   5253  CA  VAL B 869      -4.624   6.098  16.493  1.00 97.71           C  
+ATOM   5254  C   VAL B 869      -4.913   6.132  14.994  1.00 97.71           C  
+ATOM   5255  CB  VAL B 869      -5.425   7.204  17.216  1.00 97.71           C  
+ATOM   5256  O   VAL B 869      -4.828   7.189  14.363  1.00 97.71           O  
+ATOM   5257  CG1 VAL B 869      -6.924   7.030  16.975  1.00 97.71           C  
+ATOM   5258  CG2 VAL B 869      -5.117   7.194  18.712  1.00 97.71           C  
+ATOM   5259  N   SER B 870      -5.280   5.025  14.445  1.00 97.38           N  
+ATOM   5260  CA  SER B 870      -5.328   4.851  12.997  1.00 97.38           C  
+ATOM   5261  C   SER B 870      -6.731   5.104  12.455  1.00 97.38           C  
+ATOM   5262  CB  SER B 870      -4.870   3.444  12.611  1.00 97.38           C  
+ATOM   5263  O   SER B 870      -6.900   5.406  11.272  1.00 97.38           O  
+ATOM   5264  OG  SER B 870      -5.647   2.462  13.274  1.00 97.38           O  
+ATOM   5265  N   CYS B 871      -7.765   4.914  13.210  1.00 97.95           N  
+ATOM   5266  CA  CYS B 871      -9.134   5.101  12.741  1.00 97.95           C  
+ATOM   5267  C   CYS B 871     -10.044   5.546  13.880  1.00 97.95           C  
+ATOM   5268  CB  CYS B 871      -9.669   3.810  12.123  1.00 97.95           C  
+ATOM   5269  O   CYS B 871      -9.731   5.329  15.052  1.00 97.95           O  
+ATOM   5270  SG  CYS B 871      -9.540   2.374  13.210  1.00 97.95           S  
+ATOM   5271  N   LEU B 872     -11.041   6.326  13.582  1.00 97.86           N  
+ATOM   5272  CA  LEU B 872     -12.046   6.762  14.545  1.00 97.86           C  
+ATOM   5273  C   LEU B 872     -13.400   6.952  13.870  1.00 97.86           C  
+ATOM   5274  CB  LEU B 872     -11.611   8.065  15.220  1.00 97.86           C  
+ATOM   5275  O   LEU B 872     -13.473   7.106  12.649  1.00 97.86           O  
+ATOM   5276  CG  LEU B 872     -11.601   9.315  14.338  1.00 97.86           C  
+ATOM   5277  CD1 LEU B 872     -12.968   9.990  14.360  1.00 97.86           C  
+ATOM   5278  CD2 LEU B 872     -10.513  10.282  14.794  1.00 97.86           C  
+ATOM   5279  N   GLY B 873     -14.506   6.869  14.674  1.00 97.20           N  
+ATOM   5280  CA  GLY B 873     -15.865   7.034  14.183  1.00 97.20           C  
+ATOM   5281  C   GLY B 873     -16.870   7.302  15.287  1.00 97.20           C  
+ATOM   5282  O   GLY B 873     -16.642   6.939  16.443  1.00 97.20           O  
+ATOM   5283  N   VAL B 874     -17.927   7.988  14.900  1.00 97.72           N  
+ATOM   5284  CA  VAL B 874     -19.004   8.326  15.824  1.00 97.72           C  
+ATOM   5285  C   VAL B 874     -20.281   7.591  15.421  1.00 97.72           C  
+ATOM   5286  CB  VAL B 874     -19.258   9.849  15.868  1.00 97.72           C  
+ATOM   5287  O   VAL B 874     -20.577   7.456  14.231  1.00 97.72           O  
+ATOM   5288  CG1 VAL B 874     -20.404  10.179  16.822  1.00 97.72           C  
+ATOM   5289  CG2 VAL B 874     -17.986  10.589  16.280  1.00 97.72           C  
+ATOM   5290  N   THR B 875     -20.983   7.033  16.385  1.00 96.65           N  
+ATOM   5291  CA  THR B 875     -22.228   6.333  16.090  1.00 96.65           C  
+ATOM   5292  C   THR B 875     -23.272   7.297  15.534  1.00 96.65           C  
+ATOM   5293  CB  THR B 875     -22.787   5.635  17.344  1.00 96.65           C  
+ATOM   5294  O   THR B 875     -23.220   8.499  15.802  1.00 96.65           O  
+ATOM   5295  CG2 THR B 875     -21.850   4.531  17.822  1.00 96.65           C  
+ATOM   5296  OG1 THR B 875     -22.944   6.600  18.391  1.00 96.65           O  
+ATOM   5297  N   ASP B 876     -24.209   6.797  14.804  1.00 94.06           N  
+ATOM   5298  CA  ASP B 876     -25.248   7.578  14.140  1.00 94.06           C  
+ATOM   5299  C   ASP B 876     -26.130   8.298  15.159  1.00 94.06           C  
+ATOM   5300  CB  ASP B 876     -26.104   6.681  13.244  1.00 94.06           C  
+ATOM   5301  O   ASP B 876     -26.692   9.354  14.864  1.00 94.06           O  
+ATOM   5302  CG  ASP B 876     -25.466   6.411  11.893  1.00 94.06           C  
+ATOM   5303  OD1 ASP B 876     -24.455   7.063  11.554  1.00 94.06           O  
+ATOM   5304  OD2 ASP B 876     -25.982   5.541  11.158  1.00 94.06           O  
+ATOM   5305  N   ASP B 877     -26.251   7.692  16.344  1.00 95.45           N  
+ATOM   5306  CA  ASP B 877     -27.069   8.331  17.371  1.00 95.45           C  
+ATOM   5307  C   ASP B 877     -26.256   9.350  18.166  1.00 95.45           C  
+ATOM   5308  CB  ASP B 877     -27.663   7.282  18.313  1.00 95.45           C  
+ATOM   5309  O   ASP B 877     -26.786  10.015  19.058  1.00 95.45           O  
+ATOM   5310  CG  ASP B 877     -26.606   6.503  19.075  1.00 95.45           C  
+ATOM   5311  OD1 ASP B 877     -25.403   6.813  18.939  1.00 95.45           O  
+ATOM   5312  OD2 ASP B 877     -26.979   5.568  19.817  1.00 95.45           O  
+ATOM   5313  N   GLY B 878     -24.871   9.405  17.966  1.00 95.38           N  
+ATOM   5314  CA  GLY B 878     -24.002  10.411  18.555  1.00 95.38           C  
+ATOM   5315  C   GLY B 878     -23.606  10.095  19.985  1.00 95.38           C  
+ATOM   5316  O   GLY B 878     -23.022  10.934  20.674  1.00 95.38           O  
+ATOM   5317  N   MET B 879     -23.815   8.919  20.459  1.00 94.38           N  
+ATOM   5318  CA  MET B 879     -23.664   8.586  21.872  1.00 94.38           C  
+ATOM   5319  C   MET B 879     -22.277   8.017  22.152  1.00 94.38           C  
+ATOM   5320  CB  MET B 879     -24.737   7.586  22.307  1.00 94.38           C  
+ATOM   5321  O   MET B 879     -21.836   7.982  23.302  1.00 94.38           O  
+ATOM   5322  CG  MET B 879     -26.143   8.163  22.322  1.00 94.38           C  
+ATOM   5323  SD  MET B 879     -26.310   9.576  23.481  1.00 94.38           S  
+ATOM   5324  CE  MET B 879     -26.787   8.695  24.993  1.00 94.38           C  
+ATOM   5325  N   ALA B 880     -21.584   7.576  21.097  1.00 95.99           N  
+ATOM   5326  CA  ALA B 880     -20.296   6.932  21.342  1.00 95.99           C  
+ATOM   5327  C   ALA B 880     -19.293   7.274  20.243  1.00 95.99           C  
+ATOM   5328  CB  ALA B 880     -20.469   5.419  21.447  1.00 95.99           C  
+ATOM   5329  O   ALA B 880     -19.676   7.493  19.092  1.00 95.99           O  
+ATOM   5330  N   VAL B 881     -18.059   7.356  20.699  1.00 97.74           N  
+ATOM   5331  CA  VAL B 881     -16.912   7.480  19.806  1.00 97.74           C  
+ATOM   5332  C   VAL B 881     -16.034   6.236  19.916  1.00 97.74           C  
+ATOM   5333  CB  VAL B 881     -16.084   8.746  20.118  1.00 97.74           C  
+ATOM   5334  O   VAL B 881     -15.735   5.775  21.020  1.00 97.74           O  
+ATOM   5335  CG1 VAL B 881     -14.883   8.851  19.179  1.00 97.74           C  
+ATOM   5336  CG2 VAL B 881     -16.958   9.995  20.013  1.00 97.74           C  
+ATOM   5337  N   ALA B 882     -15.687   5.662  18.766  1.00 98.25           N  
+ATOM   5338  CA  ALA B 882     -14.756   4.537  18.752  1.00 98.25           C  
+ATOM   5339  C   ALA B 882     -13.418   4.939  18.138  1.00 98.25           C  
+ATOM   5340  CB  ALA B 882     -15.356   3.359  17.987  1.00 98.25           C  
+ATOM   5341  O   ALA B 882     -13.380   5.628  17.115  1.00 98.25           O  
+ATOM   5342  N   THR B 883     -12.329   4.521  18.829  1.00 98.56           N  
+ATOM   5343  CA  THR B 883     -10.986   4.698  18.287  1.00 98.56           C  
+ATOM   5344  C   THR B 883     -10.273   3.355  18.160  1.00 98.56           C  
+ATOM   5345  CB  THR B 883     -10.149   5.645  19.168  1.00 98.56           C  
+ATOM   5346  O   THR B 883     -10.398   2.494  19.034  1.00 98.56           O  
+ATOM   5347  CG2 THR B 883     -10.774   7.034  19.229  1.00 98.56           C  
+ATOM   5348  OG1 THR B 883     -10.071   5.109  20.495  1.00 98.56           O  
+ATOM   5349  N   GLY B 884      -9.620   3.115  17.028  1.00 98.30           N  
+ATOM   5350  CA  GLY B 884      -8.742   1.981  16.790  1.00 98.30           C  
+ATOM   5351  C   GLY B 884      -7.280   2.370  16.680  1.00 98.30           C  
+ATOM   5352  O   GLY B 884      -6.953   3.425  16.132  1.00 98.30           O  
+ATOM   5353  N   SER B 885      -6.406   1.425  17.122  1.00 98.28           N  
+ATOM   5354  CA  SER B 885      -5.007   1.832  17.206  1.00 98.28           C  
+ATOM   5355  C   SER B 885      -4.075   0.692  16.807  1.00 98.28           C  
+ATOM   5356  CB  SER B 885      -4.669   2.305  18.620  1.00 98.28           C  
+ATOM   5357  O   SER B 885      -4.483  -0.471  16.784  1.00 98.28           O  
+ATOM   5358  OG  SER B 885      -3.280   2.552  18.750  1.00 98.28           O  
+ATOM   5359  N   TRP B 886      -2.924   1.053  16.546  1.00 96.19           N  
+ATOM   5360  CA  TRP B 886      -1.866   0.099  16.232  1.00 96.19           C  
+ATOM   5361  C   TRP B 886      -1.445  -0.676  17.476  1.00 96.19           C  
+ATOM   5362  CB  TRP B 886      -0.656   0.816  15.628  1.00 96.19           C  
+ATOM   5363  O   TRP B 886      -0.599  -1.571  17.401  1.00 96.19           O  
+ATOM   5364  CG  TRP B 886      -0.832   1.203  14.190  1.00 96.19           C  
+ATOM   5365  CD1 TRP B 886      -2.003   1.243  13.485  1.00 96.19           C  
+ATOM   5366  CD2 TRP B 886       0.198   1.599  13.280  1.00 96.19           C  
+ATOM   5367  CE2 TRP B 886      -0.421   1.866  12.038  1.00 96.19           C  
+ATOM   5368  CE3 TRP B 886       1.586   1.756  13.393  1.00 96.19           C  
+ATOM   5369  NE1 TRP B 886      -1.763   1.641  12.190  1.00 96.19           N  
+ATOM   5370  CH2 TRP B 886       1.658   2.427  11.056  1.00 96.19           C  
+ATOM   5371  CZ2 TRP B 886       0.302   2.282  10.918  1.00 96.19           C  
+ATOM   5372  CZ3 TRP B 886       2.303   2.169  12.277  1.00 96.19           C  
+ATOM   5373  N   ASP B 887      -1.966  -0.349  18.596  1.00 96.15           N  
+ATOM   5374  CA  ASP B 887      -1.739  -1.114  19.818  1.00 96.15           C  
+ATOM   5375  C   ASP B 887      -2.655  -2.334  19.880  1.00 96.15           C  
+ATOM   5376  CB  ASP B 887      -1.954  -0.232  21.050  1.00 96.15           C  
+ATOM   5377  O   ASP B 887      -2.710  -3.024  20.900  1.00 96.15           O  
+ATOM   5378  CG  ASP B 887      -3.387   0.249  21.193  1.00 96.15           C  
+ATOM   5379  OD1 ASP B 887      -4.271  -0.242  20.458  1.00 96.15           O  
+ATOM   5380  OD2 ASP B 887      -3.634   1.130  22.045  1.00 96.15           O  
+ATOM   5381  N   SER B 888      -3.461  -2.559  18.914  1.00 96.59           N  
+ATOM   5382  CA  SER B 888      -4.309  -3.723  18.674  1.00 96.59           C  
+ATOM   5383  C   SER B 888      -5.628  -3.612  19.430  1.00 96.59           C  
+ATOM   5384  CB  SER B 888      -3.584  -5.007  19.081  1.00 96.59           C  
+ATOM   5385  O   SER B 888      -6.326  -4.610  19.620  1.00 96.59           O  
+ATOM   5386  OG  SER B 888      -2.352  -5.129  18.392  1.00 96.59           O  
+ATOM   5387  N   PHE B 889      -5.929  -2.398  19.966  1.00 98.01           N  
+ATOM   5388  CA  PHE B 889      -7.149  -2.232  20.748  1.00 98.01           C  
+ATOM   5389  C   PHE B 889      -8.090  -1.237  20.080  1.00 98.01           C  
+ATOM   5390  CB  PHE B 889      -6.818  -1.768  22.170  1.00 98.01           C  
+ATOM   5391  O   PHE B 889      -7.642  -0.316  19.394  1.00 98.01           O  
+ATOM   5392  CG  PHE B 889      -5.978  -2.745  22.948  1.00 98.01           C  
+ATOM   5393  CD1 PHE B 889      -6.444  -4.027  23.212  1.00 98.01           C  
+ATOM   5394  CD2 PHE B 889      -4.722  -2.380  23.415  1.00 98.01           C  
+ATOM   5395  CE1 PHE B 889      -5.668  -4.933  23.931  1.00 98.01           C  
+ATOM   5396  CE2 PHE B 889      -3.941  -3.280  24.134  1.00 98.01           C  
+ATOM   5397  CZ  PHE B 889      -4.416  -4.556  24.392  1.00 98.01           C  
+ATOM   5398  N   LEU B 890      -9.427  -1.516  20.231  1.00 98.25           N  
+ATOM   5399  CA  LEU B 890     -10.460  -0.509  20.013  1.00 98.25           C  
+ATOM   5400  C   LEU B 890     -10.984   0.029  21.340  1.00 98.25           C  
+ATOM   5401  CB  LEU B 890     -11.614  -1.093  19.194  1.00 98.25           C  
+ATOM   5402  O   LEU B 890     -11.201  -0.736  22.283  1.00 98.25           O  
+ATOM   5403  CG  LEU B 890     -11.306  -1.431  17.735  1.00 98.25           C  
+ATOM   5404  CD1 LEU B 890     -11.121  -2.936  17.567  1.00 98.25           C  
+ATOM   5405  CD2 LEU B 890     -12.415  -0.919  16.822  1.00 98.25           C  
+ATOM   5406  N   LYS B 891     -11.146   1.322  21.389  1.00 98.24           N  
+ATOM   5407  CA  LYS B 891     -11.710   1.929  22.591  1.00 98.24           C  
+ATOM   5408  C   LYS B 891     -13.007   2.669  22.277  1.00 98.24           C  
+ATOM   5409  CB  LYS B 891     -10.703   2.886  23.232  1.00 98.24           C  
+ATOM   5410  O   LYS B 891     -13.099   3.370  21.266  1.00 98.24           O  
+ATOM   5411  CG  LYS B 891      -9.491   2.194  23.838  1.00 98.24           C  
+ATOM   5412  CD  LYS B 891      -8.593   3.181  24.573  1.00 98.24           C  
+ATOM   5413  CE  LYS B 891      -7.378   2.491  25.177  1.00 98.24           C  
+ATOM   5414  NZ  LYS B 891      -7.721   1.772  26.441  1.00 98.24           N  
+ATOM   5415  N   ILE B 892     -14.022   2.459  23.144  1.00 98.01           N  
+ATOM   5416  CA  ILE B 892     -15.295   3.166  23.053  1.00 98.01           C  
+ATOM   5417  C   ILE B 892     -15.346   4.272  24.104  1.00 98.01           C  
+ATOM   5418  CB  ILE B 892     -16.490   2.203  23.229  1.00 98.01           C  
+ATOM   5419  O   ILE B 892     -15.154   4.015  25.295  1.00 98.01           O  
+ATOM   5420  CG1 ILE B 892     -16.376   1.026  22.253  1.00 98.01           C  
+ATOM   5421  CG2 ILE B 892     -17.815   2.946  23.039  1.00 98.01           C  
+ATOM   5422  CD1 ILE B 892     -16.376   1.436  20.787  1.00 98.01           C  
+ATOM   5423  N   TRP B 893     -15.609   5.526  23.573  1.00 97.09           N  
+ATOM   5424  CA  TRP B 893     -15.605   6.704  24.433  1.00 97.09           C  
+ATOM   5425  C   TRP B 893     -17.012   7.270  24.590  1.00 97.09           C  
+ATOM   5426  CB  TRP B 893     -14.670   7.778  23.870  1.00 97.09           C  
+ATOM   5427  O   TRP B 893     -17.814   7.225  23.654  1.00 97.09           O  
+ATOM   5428  CG  TRP B 893     -13.331   7.256  23.442  1.00 97.09           C  
+ATOM   5429  CD1 TRP B 893     -13.037   6.595  22.282  1.00 97.09           C  
+ATOM   5430  CD2 TRP B 893     -12.105   7.348  24.174  1.00 97.09           C  
+ATOM   5431  CE2 TRP B 893     -11.106   6.721  23.396  1.00 97.09           C  
+ATOM   5432  CE3 TRP B 893     -11.753   7.901  25.413  1.00 97.09           C  
+ATOM   5433  NE1 TRP B 893     -11.700   6.271  22.248  1.00 97.09           N  
+ATOM   5434  CH2 TRP B 893      -9.460   7.181  25.033  1.00 97.09           C  
+ATOM   5435  CZ2 TRP B 893      -9.777   6.633  23.818  1.00 97.09           C  
+ATOM   5436  CZ3 TRP B 893     -10.430   7.811  25.830  1.00 97.09           C  
+ATOM   5437  N   ASN B 894     -17.457   7.832  25.754  1.00 89.27           N  
+ATOM   5438  CA  ASN B 894     -18.684   8.578  26.011  1.00 89.27           C  
+ATOM   5439  C   ASN B 894     -18.427   9.790  26.903  1.00 89.27           C  
+ATOM   5440  CB  ASN B 894     -19.743   7.670  26.640  1.00 89.27           C  
+ATOM   5441  O   ASN B 894     -17.418   9.844  27.608  1.00 89.27           O  
+ATOM   5442  CG  ASN B 894     -19.328   7.145  28.001  1.00 89.27           C  
+ATOM   5443  ND2 ASN B 894     -20.134   6.251  28.562  1.00 89.27           N  
+ATOM   5444  OD1 ASN B 894     -18.293   7.541  28.543  1.00 89.27           O  
diff --git a/modules/core/test/input/1gp2/1gp2_AB_conf3.pdb b/modules/core/test/input/1gp2/1gp2_AB_conf3.pdb
new file mode 100644
index 0000000000..a096be5fef
--- /dev/null
+++ b/modules/core/test/input/1gp2/1gp2_AB_conf3.pdb
@@ -0,0 +1,5444 @@
+ATOM      1  N   MET A   1     -34.691  25.556  32.535  1.00 38.40           N  
+ATOM      2  CA  MET A   1     -33.496  26.121  33.156  1.00 38.40           C  
+ATOM      3  C   MET A   1     -32.272  25.909  32.272  1.00 38.40           C  
+ATOM      4  CB  MET A   1     -33.260  25.499  34.534  1.00 38.40           C  
+ATOM      5  O   MET A   1     -31.854  24.772  32.045  1.00 38.40           O  
+ATOM      6  CG  MET A   1     -33.841  26.310  35.680  1.00 38.40           C  
+ATOM      7  SD  MET A   1     -32.906  26.087  37.243  1.00 38.40           S  
+ATOM      8  CE  MET A   1     -33.671  24.561  37.859  1.00 38.40           C  
+ATOM      9  N   GLY A   2     -32.228  26.603  31.129  1.00 41.58           N  
+ATOM     10  CA  GLY A   2     -31.384  26.898  29.982  1.00 41.58           C  
+ATOM     11  C   GLY A   2     -29.911  26.995  30.334  1.00 41.58           C  
+ATOM     12  O   GLY A   2     -29.523  27.794  31.189  1.00 41.58           O  
+ATOM     13  N   CYS A   3     -29.153  25.892  30.615  1.00 44.41           N  
+ATOM     14  CA  CYS A   3     -27.725  25.693  30.840  1.00 44.41           C  
+ATOM     15  C   CYS A   3     -26.903  26.349  29.737  1.00 44.41           C  
+ATOM     16  CB  CYS A   3     -27.397  24.203  30.916  1.00 44.41           C  
+ATOM     17  O   CYS A   3     -27.023  25.984  28.567  1.00 44.41           O  
+ATOM     18  SG  CYS A   3     -27.472  23.525  32.588  1.00 44.41           S  
+ATOM     19  N   THR A   4     -26.644  27.674  29.784  1.00 55.43           N  
+ATOM     20  CA  THR A   4     -25.705  28.509  29.044  1.00 55.43           C  
+ATOM     21  C   THR A   4     -24.326  27.857  28.992  1.00 55.43           C  
+ATOM     22  CB  THR A   4     -25.589  29.911  29.671  1.00 55.43           C  
+ATOM     23  O   THR A   4     -23.882  27.253  29.970  1.00 55.43           O  
+ATOM     24  CG2 THR A   4     -26.866  30.716  29.456  1.00 55.43           C  
+ATOM     25  OG1 THR A   4     -25.351  29.780  31.078  1.00 55.43           O  
+ATOM     26  N   LEU A   5     -23.901  27.180  27.841  1.00 64.59           N  
+ATOM     27  CA  LEU A   5     -22.599  26.654  27.447  1.00 64.59           C  
+ATOM     28  C   LEU A   5     -21.478  27.583  27.902  1.00 64.59           C  
+ATOM     29  CB  LEU A   5     -22.534  26.462  25.930  1.00 64.59           C  
+ATOM     30  O   LEU A   5     -21.616  28.807  27.840  1.00 64.59           O  
+ATOM     31  CG  LEU A   5     -23.333  25.288  25.360  1.00 64.59           C  
+ATOM     32  CD1 LEU A   5     -23.603  25.501  23.875  1.00 64.59           C  
+ATOM     33  CD2 LEU A   5     -22.592  23.975  25.591  1.00 64.59           C  
+ATOM     34  N   SER A   6     -20.578  27.149  28.735  1.00 76.66           N  
+ATOM     35  CA  SER A   6     -19.381  27.865  29.164  1.00 76.66           C  
+ATOM     36  C   SER A   6     -18.554  28.324  27.967  1.00 76.66           C  
+ATOM     37  CB  SER A   6     -18.527  26.984  30.076  1.00 76.66           C  
+ATOM     38  O   SER A   6     -18.766  27.861  26.845  1.00 76.66           O  
+ATOM     39  OG  SER A   6     -17.852  25.988  29.327  1.00 76.66           O  
+ATOM     40  N   ALA A   7     -17.862  29.509  27.977  1.00 77.51           N  
+ATOM     41  CA  ALA A   7     -16.973  30.062  26.959  1.00 77.51           C  
+ATOM     42  C   ALA A   7     -16.055  28.985  26.388  1.00 77.51           C  
+ATOM     43  CB  ALA A   7     -16.147  31.208  27.539  1.00 77.51           C  
+ATOM     44  O   ALA A   7     -15.812  28.945  25.179  1.00 77.51           O  
+ATOM     45  N   GLU A   8     -15.640  28.055  27.198  1.00 74.51           N  
+ATOM     46  CA  GLU A   8     -14.763  26.961  26.791  1.00 74.51           C  
+ATOM     47  C   GLU A   8     -15.510  25.943  25.935  1.00 74.51           C  
+ATOM     48  CB  GLU A   8     -14.157  26.273  28.017  1.00 74.51           C  
+ATOM     49  O   GLU A   8     -14.979  25.455  24.935  1.00 74.51           O  
+ATOM     50  CG  GLU A   8     -12.969  27.014  28.614  1.00 74.51           C  
+ATOM     51  CD  GLU A   8     -12.381  26.322  29.833  1.00 74.51           C  
+ATOM     52  OE1 GLU A   8     -11.404  26.844  30.416  1.00 74.51           O  
+ATOM     53  OE2 GLU A   8     -12.901  25.247  30.209  1.00 74.51           O  
+ATOM     54  N   ASP A   9     -16.745  25.677  26.271  1.00 79.49           N  
+ATOM     55  CA  ASP A   9     -17.592  24.749  25.529  1.00 79.49           C  
+ATOM     56  C   ASP A   9     -17.963  25.318  24.161  1.00 79.49           C  
+ATOM     57  CB  ASP A   9     -18.857  24.423  26.324  1.00 79.49           C  
+ATOM     58  O   ASP A   9     -17.990  24.591  23.166  1.00 79.49           O  
+ATOM     59  CG  ASP A   9     -18.598  23.492  27.495  1.00 79.49           C  
+ATOM     60  OD1 ASP A   9     -17.549  22.813  27.515  1.00 79.49           O  
+ATOM     61  OD2 ASP A   9     -19.453  23.433  28.406  1.00 79.49           O  
+ATOM     62  N   LYS A  10     -18.161  26.633  24.138  1.00 82.85           N  
+ATOM     63  CA  LYS A  10     -18.468  27.299  22.876  1.00 82.85           C  
+ATOM     64  C   LYS A  10     -17.270  27.267  21.932  1.00 82.85           C  
+ATOM     65  CB  LYS A  10     -18.902  28.745  23.123  1.00 82.85           C  
+ATOM     66  O   LYS A  10     -17.424  27.031  20.732  1.00 82.85           O  
+ATOM     67  CG  LYS A  10     -20.310  28.881  23.684  1.00 82.85           C  
+ATOM     68  CD  LYS A  10     -20.704  30.343  23.854  1.00 82.85           C  
+ATOM     69  CE  LYS A  10     -22.067  30.481  24.519  1.00 82.85           C  
+ATOM     70  NZ  LYS A  10     -22.437  31.913  24.731  1.00 82.85           N  
+ATOM     71  N   ALA A  11     -16.075  27.512  22.451  1.00 83.78           N  
+ATOM     72  CA  ALA A  11     -14.846  27.470  21.663  1.00 83.78           C  
+ATOM     73  C   ALA A  11     -14.597  26.070  21.109  1.00 83.78           C  
+ATOM     74  CB  ALA A  11     -13.657  27.924  22.506  1.00 83.78           C  
+ATOM     75  O   ALA A  11     -14.183  25.915  19.958  1.00 83.78           O  
+ATOM     76  N   ALA A  12     -14.874  25.029  21.912  1.00 82.07           N  
+ATOM     77  CA  ALA A  12     -14.696  23.638  21.505  1.00 82.07           C  
+ATOM     78  C   ALA A  12     -15.634  23.279  20.355  1.00 82.07           C  
+ATOM     79  CB  ALA A  12     -14.929  22.703  22.689  1.00 82.07           C  
+ATOM     80  O   ALA A  12     -15.226  22.621  19.395  1.00 82.07           O  
+ATOM     81  N   VAL A  13     -16.838  23.699  20.433  1.00 85.78           N  
+ATOM     82  CA  VAL A  13     -17.831  23.440  19.395  1.00 85.78           C  
+ATOM     83  C   VAL A  13     -17.409  24.121  18.095  1.00 85.78           C  
+ATOM     84  CB  VAL A  13     -19.235  23.925  19.820  1.00 85.78           C  
+ATOM     85  O   VAL A  13     -17.515  23.533  17.016  1.00 85.78           O  
+ATOM     86  CG1 VAL A  13     -20.208  23.855  18.644  1.00 85.78           C  
+ATOM     87  CG2 VAL A  13     -19.752  23.097  20.995  1.00 85.78           C  
+ATOM     88  N   GLU A  14     -16.939  25.386  18.200  1.00 87.08           N  
+ATOM     89  CA  GLU A  14     -16.491  26.126  17.024  1.00 87.08           C  
+ATOM     90  C   GLU A  14     -15.309  25.433  16.353  1.00 87.08           C  
+ATOM     91  CB  GLU A  14     -16.114  27.560  17.403  1.00 87.08           C  
+ATOM     92  O   GLU A  14     -15.258  25.329  15.126  1.00 87.08           O  
+ATOM     93  CG  GLU A  14     -17.307  28.497  17.527  1.00 87.08           C  
+ATOM     94  CD  GLU A  14     -16.916  29.922  17.887  1.00 87.08           C  
+ATOM     95  OE1 GLU A  14     -17.760  30.836  17.750  1.00 87.08           O  
+ATOM     96  OE2 GLU A  14     -15.755  30.125  18.309  1.00 87.08           O  
+ATOM     97  N   ARG A  15     -14.414  24.970  17.146  1.00 86.32           N  
+ATOM     98  CA  ARG A  15     -13.267  24.237  16.622  1.00 86.32           C  
+ATOM     99  C   ARG A  15     -13.710  22.971  15.897  1.00 86.32           C  
+ATOM    100  CB  ARG A  15     -12.295  23.882  17.750  1.00 86.32           C  
+ATOM    101  O   ARG A  15     -13.207  22.660  14.815  1.00 86.32           O  
+ATOM    102  CG  ARG A  15     -11.356  25.014  18.133  1.00 86.32           C  
+ATOM    103  CD  ARG A  15     -10.195  24.520  18.985  1.00 86.32           C  
+ATOM    104  NE  ARG A  15     -10.662  23.877  20.210  1.00 86.32           N  
+ATOM    105  NH1 ARG A  15     -10.129  25.652  21.590  1.00 86.32           N  
+ATOM    106  NH2 ARG A  15     -11.072  23.755  22.467  1.00 86.32           N  
+ATOM    107  CZ  ARG A  15     -10.620  24.429  21.420  1.00 86.32           C  
+ATOM    108  N   SER A  16     -14.572  22.253  16.529  1.00 88.10           N  
+ATOM    109  CA  SER A  16     -15.118  21.038  15.934  1.00 88.10           C  
+ATOM    110  C   SER A  16     -15.821  21.336  14.613  1.00 88.10           C  
+ATOM    111  CB  SER A  16     -16.093  20.360  16.897  1.00 88.10           C  
+ATOM    112  O   SER A  16     -15.676  20.587  13.644  1.00 88.10           O  
+ATOM    113  OG  SER A  16     -16.545  19.125  16.370  1.00 88.10           O  
+ATOM    114  N   LYS A  17     -16.573  22.390  14.528  1.00 89.08           N  
+ATOM    115  CA  LYS A  17     -17.258  22.781  13.299  1.00 89.08           C  
+ATOM    116  C   LYS A  17     -16.260  23.087  12.186  1.00 89.08           C  
+ATOM    117  CB  LYS A  17     -18.155  23.994  13.547  1.00 89.08           C  
+ATOM    118  O   LYS A  17     -16.486  22.731  11.028  1.00 89.08           O  
+ATOM    119  CG  LYS A  17     -19.461  23.664  14.256  1.00 89.08           C  
+ATOM    120  CD  LYS A  17     -20.358  24.890  14.373  1.00 89.08           C  
+ATOM    121  CE  LYS A  17     -21.643  24.573  15.125  1.00 89.08           C  
+ATOM    122  NZ  LYS A  17     -22.494  25.787  15.305  1.00 89.08           N  
+ATOM    123  N   MET A  18     -15.204  23.772  12.585  1.00 88.09           N  
+ATOM    124  CA  MET A  18     -14.156  24.072  11.614  1.00 88.09           C  
+ATOM    125  C   MET A  18     -13.539  22.790  11.065  1.00 88.09           C  
+ATOM    126  CB  MET A  18     -13.071  24.946  12.246  1.00 88.09           C  
+ATOM    127  O   MET A  18     -13.308  22.674   9.860  1.00 88.09           O  
+ATOM    128  CG  MET A  18     -12.071  25.501  11.245  1.00 88.09           C  
+ATOM    129  SD  MET A  18     -10.862  26.644  12.019  1.00 88.09           S  
+ATOM    130  CE  MET A  18      -9.840  27.055  10.577  1.00 88.09           C  
+ATOM    131  N   ILE A  19     -13.315  21.855  11.918  1.00 87.96           N  
+ATOM    132  CA  ILE A  19     -12.741  20.572  11.527  1.00 87.96           C  
+ATOM    133  C   ILE A  19     -13.706  19.836  10.599  1.00 87.96           C  
+ATOM    134  CB  ILE A  19     -12.413  19.700  12.760  1.00 87.96           C  
+ATOM    135  O   ILE A  19     -13.293  19.279   9.580  1.00 87.96           O  
+ATOM    136  CG1 ILE A  19     -11.274  20.329  13.570  1.00 87.96           C  
+ATOM    137  CG2 ILE A  19     -12.059  18.273  12.333  1.00 87.96           C  
+ATOM    138  CD1 ILE A  19     -11.013  19.645  14.905  1.00 87.96           C  
+ATOM    139  N   ASP A  20     -14.953  19.872  10.916  1.00 87.30           N  
+ATOM    140  CA  ASP A  20     -15.964  19.234  10.077  1.00 87.30           C  
+ATOM    141  C   ASP A  20     -15.976  19.839   8.675  1.00 87.30           C  
+ATOM    142  CB  ASP A  20     -17.348  19.359  10.716  1.00 87.30           C  
+ATOM    143  O   ASP A  20     -16.099  19.118   7.683  1.00 87.30           O  
+ATOM    144  CG  ASP A  20     -17.589  18.338  11.814  1.00 87.30           C  
+ATOM    145  OD1 ASP A  20     -16.921  17.282  11.822  1.00 87.30           O  
+ATOM    146  OD2 ASP A  20     -18.457  18.591  12.678  1.00 87.30           O  
+ATOM    147  N   ARG A  21     -15.911  21.129   8.636  1.00 87.21           N  
+ATOM    148  CA  ARG A  21     -15.863  21.810   7.347  1.00 87.21           C  
+ATOM    149  C   ARG A  21     -14.657  21.355   6.532  1.00 87.21           C  
+ATOM    150  CB  ARG A  21     -15.822  23.327   7.541  1.00 87.21           C  
+ATOM    151  O   ARG A  21     -14.783  21.050   5.344  1.00 87.21           O  
+ATOM    152  CG  ARG A  21     -15.940  24.117   6.247  1.00 87.21           C  
+ATOM    153  CD  ARG A  21     -15.964  25.618   6.503  1.00 87.21           C  
+ATOM    154  NE  ARG A  21     -14.714  26.084   7.095  1.00 87.21           N  
+ATOM    155  NH1 ARG A  21     -15.446  28.247   7.444  1.00 87.21           N  
+ATOM    156  NH2 ARG A  21     -13.320  27.639   8.051  1.00 87.21           N  
+ATOM    157  CZ  ARG A  21     -14.496  27.322   7.529  1.00 87.21           C  
+ATOM    158  N   ASN A  22     -13.538  21.249   7.204  1.00 85.49           N  
+ATOM    159  CA  ASN A  22     -12.320  20.814   6.530  1.00 85.49           C  
+ATOM    160  C   ASN A  22     -12.437  19.376   6.034  1.00 85.49           C  
+ATOM    161  CB  ASN A  22     -11.112  20.959   7.457  1.00 85.49           C  
+ATOM    162  O   ASN A  22     -12.004  19.060   4.924  1.00 85.49           O  
+ATOM    163  CG  ASN A  22     -10.702  22.404   7.661  1.00 85.49           C  
+ATOM    164  ND2 ASN A  22      -9.899  22.653   8.689  1.00 85.49           N  
+ATOM    165  OD1 ASN A  22     -11.104  23.289   6.901  1.00 85.49           O  
+ATOM    166  N   LEU A  23     -13.022  18.542   6.838  1.00 84.66           N  
+ATOM    167  CA  LEU A  23     -13.201  17.141   6.473  1.00 84.66           C  
+ATOM    168  C   LEU A  23     -14.155  17.006   5.290  1.00 84.66           C  
+ATOM    169  CB  LEU A  23     -13.731  16.340   7.665  1.00 84.66           C  
+ATOM    170  O   LEU A  23     -13.946  16.166   4.412  1.00 84.66           O  
+ATOM    171  CG  LEU A  23     -12.749  16.103   8.813  1.00 84.66           C  
+ATOM    172  CD1 LEU A  23     -13.448  15.400   9.972  1.00 84.66           C  
+ATOM    173  CD2 LEU A  23     -11.551  15.290   8.332  1.00 84.66           C  
+ATOM    174  N   ARG A  24     -15.196  17.783   5.293  1.00 82.65           N  
+ATOM    175  CA  ARG A  24     -16.136  17.779   4.177  1.00 82.65           C  
+ATOM    176  C   ARG A  24     -15.444  18.178   2.878  1.00 82.65           C  
+ATOM    177  CB  ARG A  24     -17.308  18.722   4.458  1.00 82.65           C  
+ATOM    178  O   ARG A  24     -15.629  17.530   1.846  1.00 82.65           O  
+ATOM    179  CG  ARG A  24     -18.430  18.631   3.436  1.00 82.65           C  
+ATOM    180  CD  ARG A  24     -19.589  19.553   3.788  1.00 82.65           C  
+ATOM    181  NE  ARG A  24     -20.592  19.587   2.727  1.00 82.65           N  
+ATOM    182  NH1 ARG A  24     -22.059  20.954   3.874  1.00 82.65           N  
+ATOM    183  NH2 ARG A  24     -22.582  20.214   1.768  1.00 82.65           N  
+ATOM    184  CZ  ARG A  24     -21.742  20.252   2.792  1.00 82.65           C  
+ATOM    185  N   GLU A  25     -14.692  19.220   2.982  1.00 82.71           N  
+ATOM    186  CA  GLU A  25     -13.925  19.648   1.816  1.00 82.71           C  
+ATOM    187  C   GLU A  25     -12.981  18.547   1.342  1.00 82.71           C  
+ATOM    188  CB  GLU A  25     -13.134  20.920   2.131  1.00 82.71           C  
+ATOM    189  O   GLU A  25     -12.862  18.300   0.140  1.00 82.71           O  
+ATOM    190  CG  GLU A  25     -13.997  22.167   2.257  1.00 82.71           C  
+ATOM    191  CD  GLU A  25     -13.209  23.406   2.648  1.00 82.71           C  
+ATOM    192  OE1 GLU A  25     -13.814  24.493   2.784  1.00 82.71           O  
+ATOM    193  OE2 GLU A  25     -11.975  23.289   2.820  1.00 82.71           O  
+ATOM    194  N   ASP A  26     -12.381  17.899   2.321  1.00 78.63           N  
+ATOM    195  CA  ASP A  26     -11.496  16.784   1.999  1.00 78.63           C  
+ATOM    196  C   ASP A  26     -12.270  15.639   1.350  1.00 78.63           C  
+ATOM    197  CB  ASP A  26     -10.778  16.288   3.256  1.00 78.63           C  
+ATOM    198  O   ASP A  26     -11.777  14.998   0.419  1.00 78.63           O  
+ATOM    199  CG  ASP A  26      -9.674  17.223   3.717  1.00 78.63           C  
+ATOM    200  OD1 ASP A  26      -9.358  18.195   2.997  1.00 78.63           O  
+ATOM    201  OD2 ASP A  26      -9.114  16.985   4.808  1.00 78.63           O  
+ATOM    202  N   GLY A  27     -13.436  15.392   1.899  1.00 75.48           N  
+ATOM    203  CA  GLY A  27     -14.284  14.360   1.323  1.00 75.48           C  
+ATOM    204  C   GLY A  27     -14.660  14.635  -0.121  1.00 75.48           C  
+ATOM    205  O   GLY A  27     -14.629  13.732  -0.959  1.00 75.48           O  
+ATOM    206  N   GLU A  28     -15.018  15.860  -0.413  1.00 74.84           N  
+ATOM    207  CA  GLU A  28     -15.342  16.253  -1.781  1.00 74.84           C  
+ATOM    208  C   GLU A  28     -14.136  16.093  -2.701  1.00 74.84           C  
+ATOM    209  CB  GLU A  28     -15.846  17.698  -1.820  1.00 74.84           C  
+ATOM    210  O   GLU A  28     -14.270  15.619  -3.832  1.00 74.84           O  
+ATOM    211  CG  GLU A  28     -17.239  17.879  -1.234  1.00 74.84           C  
+ATOM    212  CD  GLU A  28     -17.687  19.331  -1.191  1.00 74.84           C  
+ATOM    213  OE1 GLU A  28     -18.839  19.599  -0.781  1.00 74.84           O  
+ATOM    214  OE2 GLU A  28     -16.879  20.209  -1.571  1.00 74.84           O  
+ATOM    215  N   LYS A  29     -13.066  16.469  -2.157  1.00 72.36           N  
+ATOM    216  CA  LYS A  29     -11.830  16.300  -2.916  1.00 72.36           C  
+ATOM    217  C   LYS A  29     -11.540  14.825  -3.174  1.00 72.36           C  
+ATOM    218  CB  LYS A  29     -10.655  16.945  -2.178  1.00 72.36           C  
+ATOM    219  O   LYS A  29     -11.155  14.446  -4.282  1.00 72.36           O  
+ATOM    220  CG  LYS A  29     -10.604  18.460  -2.299  1.00 72.36           C  
+ATOM    221  CD  LYS A  29      -9.365  19.034  -1.625  1.00 72.36           C  
+ATOM    222  CE  LYS A  29      -9.377  20.557  -1.632  1.00 72.36           C  
+ATOM    223  NZ  LYS A  29      -8.167  21.124  -0.965  1.00 72.36           N  
+ATOM    224  N   ALA A  30     -11.756  14.038  -2.151  1.00 69.85           N  
+ATOM    225  CA  ALA A  30     -11.521  12.602  -2.275  1.00 69.85           C  
+ATOM    226  C   ALA A  30     -12.450  11.981  -3.314  1.00 69.85           C  
+ATOM    227  CB  ALA A  30     -11.704  11.914  -0.924  1.00 69.85           C  
+ATOM    228  O   ALA A  30     -12.056  11.065  -4.040  1.00 69.85           O  
+ATOM    229  N   ALA A  31     -13.647  12.426  -3.325  1.00 70.02           N  
+ATOM    230  CA  ALA A  31     -14.632  11.918  -4.277  1.00 70.02           C  
+ATOM    231  C   ALA A  31     -14.209  12.213  -5.713  1.00 70.02           C  
+ATOM    232  CB  ALA A  31     -16.005  12.522  -3.995  1.00 70.02           C  
+ATOM    233  O   ALA A  31     -14.570  11.480  -6.637  1.00 70.02           O  
+ATOM    234  N   ARG A  32     -13.444  13.213  -5.887  1.00 76.64           N  
+ATOM    235  CA  ARG A  32     -13.007  13.615  -7.220  1.00 76.64           C  
+ATOM    236  C   ARG A  32     -11.624  13.053  -7.535  1.00 76.64           C  
+ATOM    237  CB  ARG A  32     -12.994  15.140  -7.346  1.00 76.64           C  
+ATOM    238  O   ARG A  32     -11.051  13.353  -8.585  1.00 76.64           O  
+ATOM    239  CG  ARG A  32     -14.376  15.772  -7.312  1.00 76.64           C  
+ATOM    240  CD  ARG A  32     -14.307  17.287  -7.439  1.00 76.64           C  
+ATOM    241  NE  ARG A  32     -15.630  17.897  -7.345  1.00 76.64           N  
+ATOM    242  NH1 ARG A  32     -14.870  20.070  -7.544  1.00 76.64           N  
+ATOM    243  NH2 ARG A  32     -17.111  19.652  -7.301  1.00 76.64           N  
+ATOM    244  CZ  ARG A  32     -15.867  19.205  -7.397  1.00 76.64           C  
+ATOM    245  N   GLU A  33     -11.222  12.231  -6.620  1.00 83.33           N  
+ATOM    246  CA  GLU A  33      -9.895  11.648  -6.792  1.00 83.33           C  
+ATOM    247  C   GLU A  33      -9.967  10.319  -7.538  1.00 83.33           C  
+ATOM    248  CB  GLU A  33      -9.213  11.453  -5.435  1.00 83.33           C  
+ATOM    249  O   GLU A  33     -10.792   9.463  -7.212  1.00 83.33           O  
+ATOM    250  CG  GLU A  33      -7.739  11.089  -5.534  1.00 83.33           C  
+ATOM    251  CD  GLU A  33      -7.059  10.966  -4.179  1.00 83.33           C  
+ATOM    252  OE1 GLU A  33      -5.983  11.574  -3.983  1.00 83.33           O  
+ATOM    253  OE2 GLU A  33      -7.608  10.255  -3.308  1.00 83.33           O  
+ATOM    254  N   VAL A  34      -9.160  10.148  -8.547  1.00 86.51           N  
+ATOM    255  CA  VAL A  34      -9.039   8.932  -9.346  1.00 86.51           C  
+ATOM    256  C   VAL A  34      -7.667   8.301  -9.122  1.00 86.51           C  
+ATOM    257  CB  VAL A  34      -9.256   9.217 -10.849  1.00 86.51           C  
+ATOM    258  O   VAL A  34      -6.638   8.931  -9.376  1.00 86.51           O  
+ATOM    259  CG1 VAL A  34      -9.096   7.938 -11.669  1.00 86.51           C  
+ATOM    260  CG2 VAL A  34     -10.633   9.835 -11.081  1.00 86.51           C  
+ATOM    261  N   LYS A  35      -7.780   7.047  -8.585  1.00 88.91           N  
+ATOM    262  CA  LYS A  35      -6.539   6.322  -8.333  1.00 88.91           C  
+ATOM    263  C   LYS A  35      -6.238   5.338  -9.461  1.00 88.91           C  
+ATOM    264  CB  LYS A  35      -6.612   5.580  -6.998  1.00 88.91           C  
+ATOM    265  O   LYS A  35      -7.010   4.407  -9.702  1.00 88.91           O  
+ATOM    266  CG  LYS A  35      -6.637   6.496  -5.782  1.00 88.91           C  
+ATOM    267  CD  LYS A  35      -6.618   5.701  -4.483  1.00 88.91           C  
+ATOM    268  CE  LYS A  35      -6.722   6.612  -3.267  1.00 88.91           C  
+ATOM    269  NZ  LYS A  35      -6.695   5.837  -1.991  1.00 88.91           N  
+ATOM    270  N   LEU A  36      -5.057   5.587 -10.177  1.00 92.12           N  
+ATOM    271  CA  LEU A  36      -4.642   4.732 -11.284  1.00 92.12           C  
+ATOM    272  C   LEU A  36      -3.413   3.912 -10.906  1.00 92.12           C  
+ATOM    273  CB  LEU A  36      -4.345   5.573 -12.528  1.00 92.12           C  
+ATOM    274  O   LEU A  36      -2.419   4.460 -10.425  1.00 92.12           O  
+ATOM    275  CG  LEU A  36      -5.522   6.353 -13.116  1.00 92.12           C  
+ATOM    276  CD1 LEU A  36      -5.057   7.209 -14.289  1.00 92.12           C  
+ATOM    277  CD2 LEU A  36      -6.632   5.402 -13.548  1.00 92.12           C  
+ATOM    278  N   LEU A  37      -3.590   2.652 -11.115  1.00 94.55           N  
+ATOM    279  CA  LEU A  37      -2.489   1.740 -10.826  1.00 94.55           C  
+ATOM    280  C   LEU A  37      -1.868   1.211 -12.115  1.00 94.55           C  
+ATOM    281  CB  LEU A  37      -2.972   0.572  -9.962  1.00 94.55           C  
+ATOM    282  O   LEU A  37      -2.564   0.627 -12.949  1.00 94.55           O  
+ATOM    283  CG  LEU A  37      -1.906  -0.431  -9.520  1.00 94.55           C  
+ATOM    284  CD1 LEU A  37      -0.838   0.265  -8.683  1.00 94.55           C  
+ATOM    285  CD2 LEU A  37      -2.541  -1.578  -8.740  1.00 94.55           C  
+ATOM    286  N   LEU A  38      -0.470   1.450 -12.264  1.00 95.09           N  
+ATOM    287  CA  LEU A  38       0.246   0.958 -13.436  1.00 95.09           C  
+ATOM    288  C   LEU A  38       0.927  -0.374 -13.138  1.00 95.09           C  
+ATOM    289  CB  LEU A  38       1.285   1.983 -13.898  1.00 95.09           C  
+ATOM    290  O   LEU A  38       1.762  -0.461 -12.235  1.00 95.09           O  
+ATOM    291  CG  LEU A  38       0.738   3.302 -14.448  1.00 95.09           C  
+ATOM    292  CD1 LEU A  38       1.867   4.312 -14.621  1.00 95.09           C  
+ATOM    293  CD2 LEU A  38       0.013   3.071 -15.770  1.00 95.09           C  
+ATOM    294  N   LEU A  39       0.522  -1.380 -13.872  1.00 96.05           N  
+ATOM    295  CA  LEU A  39       1.092  -2.710 -13.684  1.00 96.05           C  
+ATOM    296  C   LEU A  39       1.635  -3.260 -14.998  1.00 96.05           C  
+ATOM    297  CB  LEU A  39       0.042  -3.667 -13.112  1.00 96.05           C  
+ATOM    298  O   LEU A  39       1.205  -2.842 -16.076  1.00 96.05           O  
+ATOM    299  CG  LEU A  39      -0.518  -3.313 -11.733  1.00 96.05           C  
+ATOM    300  CD1 LEU A  39      -1.637  -4.277 -11.353  1.00 96.05           C  
+ATOM    301  CD2 LEU A  39       0.589  -3.331 -10.686  1.00 96.05           C  
+ATOM    302  N   GLY A  40       2.601  -4.115 -14.959  1.00 95.95           N  
+ATOM    303  CA  GLY A  40       3.184  -4.789 -16.109  1.00 95.95           C  
+ATOM    304  C   GLY A  40       4.569  -5.345 -15.836  1.00 95.95           C  
+ATOM    305  O   GLY A  40       5.156  -5.075 -14.785  1.00 95.95           O  
+ATOM    306  N   ALA A  41       5.001  -6.150 -16.740  1.00 93.49           N  
+ATOM    307  CA  ALA A  41       6.345  -6.712 -16.623  1.00 93.49           C  
+ATOM    308  C   ALA A  41       7.407  -5.625 -16.765  1.00 93.49           C  
+ATOM    309  CB  ALA A  41       6.559  -7.802 -17.670  1.00 93.49           C  
+ATOM    310  O   ALA A  41       7.106  -4.505 -17.182  1.00 93.49           O  
+ATOM    311  N   GLY A  42       8.595  -5.930 -16.303  1.00 89.48           N  
+ATOM    312  CA  GLY A  42       9.685  -4.982 -16.466  1.00 89.48           C  
+ATOM    313  C   GLY A  42       9.891  -4.551 -17.906  1.00 89.48           C  
+ATOM    314  O   GLY A  42       9.679  -5.337 -18.831  1.00 89.48           O  
+ATOM    315  N   GLU A  43      10.121  -3.293 -18.088  1.00 89.76           N  
+ATOM    316  CA  GLU A  43      10.477  -2.679 -19.364  1.00 89.76           C  
+ATOM    317  C   GLU A  43       9.274  -2.616 -20.301  1.00 89.76           C  
+ATOM    318  CB  GLU A  43      11.623  -3.446 -20.029  1.00 89.76           C  
+ATOM    319  O   GLU A  43       9.432  -2.639 -21.523  1.00 89.76           O  
+ATOM    320  CG  GLU A  43      12.935  -3.378 -19.261  1.00 89.76           C  
+ATOM    321  CD  GLU A  43      14.091  -4.044 -19.990  1.00 89.76           C  
+ATOM    322  OE1 GLU A  43      15.196  -4.146 -19.411  1.00 89.76           O  
+ATOM    323  OE2 GLU A  43      13.891  -4.467 -21.151  1.00 89.76           O  
+ATOM    324  N   SER A  44       8.117  -2.652 -19.809  1.00 95.01           N  
+ATOM    325  CA  SER A  44       6.896  -2.637 -20.607  1.00 95.01           C  
+ATOM    326  C   SER A  44       6.491  -1.212 -20.972  1.00 95.01           C  
+ATOM    327  CB  SER A  44       5.755  -3.323 -19.855  1.00 95.01           C  
+ATOM    328  O   SER A  44       5.627  -1.006 -21.826  1.00 95.01           O  
+ATOM    329  OG  SER A  44       5.526  -2.693 -18.606  1.00 95.01           O  
+ATOM    330  N   GLY A  45       7.123  -0.168 -20.310  1.00 94.00           N  
+ATOM    331  CA  GLY A  45       6.875   1.220 -20.665  1.00 94.00           C  
+ATOM    332  C   GLY A  45       6.039   1.959 -19.636  1.00 94.00           C  
+ATOM    333  O   GLY A  45       5.425   2.981 -19.946  1.00 94.00           O  
+ATOM    334  N   LYS A  46       5.977   1.463 -18.392  1.00 94.36           N  
+ATOM    335  CA  LYS A  46       5.184   2.059 -17.320  1.00 94.36           C  
+ATOM    336  C   LYS A  46       5.732   3.428 -16.927  1.00 94.36           C  
+ATOM    337  CB  LYS A  46       5.150   1.138 -16.100  1.00 94.36           C  
+ATOM    338  O   LYS A  46       4.997   4.418 -16.917  1.00 94.36           O  
+ATOM    339  CG  LYS A  46       4.540  -0.229 -16.374  1.00 94.36           C  
+ATOM    340  CD  LYS A  46       4.495  -1.083 -15.113  1.00 94.36           C  
+ATOM    341  CE  LYS A  46       5.893  -1.377 -14.586  1.00 94.36           C  
+ATOM    342  NZ  LYS A  46       6.712  -2.135 -15.580  1.00 94.36           N  
+ATOM    343  N   SER A  47       6.975   3.458 -16.703  1.00 93.91           N  
+ATOM    344  CA  SER A  47       7.604   4.701 -16.269  1.00 93.91           C  
+ATOM    345  C   SER A  47       7.537   5.765 -17.359  1.00 93.91           C  
+ATOM    346  CB  SER A  47       9.060   4.456 -15.873  1.00 93.91           C  
+ATOM    347  O   SER A  47       7.408   6.955 -17.065  1.00 93.91           O  
+ATOM    348  OG  SER A  47       9.138   3.605 -14.742  1.00 93.91           O  
+ATOM    349  N   THR A  48       7.550   5.251 -18.568  1.00 94.71           N  
+ATOM    350  CA  THR A  48       7.459   6.170 -19.697  1.00 94.71           C  
+ATOM    351  C   THR A  48       6.083   6.826 -19.751  1.00 94.71           C  
+ATOM    352  CB  THR A  48       7.740   5.448 -21.028  1.00 94.71           C  
+ATOM    353  O   THR A  48       5.971   8.024 -20.017  1.00 94.71           O  
+ATOM    354  CG2 THR A  48       7.766   6.433 -22.192  1.00 94.71           C  
+ATOM    355  OG1 THR A  48       9.009   4.787 -20.948  1.00 94.71           O  
+ATOM    356  N   ILE A  49       5.087   6.100 -19.444  1.00 94.37           N  
+ATOM    357  CA  ILE A  49       3.724   6.619 -19.419  1.00 94.37           C  
+ATOM    358  C   ILE A  49       3.594   7.675 -18.324  1.00 94.37           C  
+ATOM    359  CB  ILE A  49       2.693   5.489 -19.200  1.00 94.37           C  
+ATOM    360  O   ILE A  49       2.946   8.705 -18.520  1.00 94.37           O  
+ATOM    361  CG1 ILE A  49       2.631   4.576 -20.430  1.00 94.37           C  
+ATOM    362  CG2 ILE A  49       1.313   6.072 -18.880  1.00 94.37           C  
+ATOM    363  CD1 ILE A  49       1.778   3.331 -20.234  1.00 94.37           C  
+ATOM    364  N   VAL A  50       4.215   7.429 -17.204  1.00 92.21           N  
+ATOM    365  CA  VAL A  50       4.177   8.379 -16.096  1.00 92.21           C  
+ATOM    366  C   VAL A  50       4.856   9.682 -16.509  1.00 92.21           C  
+ATOM    367  CB  VAL A  50       4.853   7.803 -14.832  1.00 92.21           C  
+ATOM    368  O   VAL A  50       4.340  10.770 -16.243  1.00 92.21           O  
+ATOM    369  CG1 VAL A  50       4.984   8.876 -13.753  1.00 92.21           C  
+ATOM    370  CG2 VAL A  50       4.065   6.605 -14.305  1.00 92.21           C  
+ATOM    371  N   LYS A  51       6.008   9.580 -17.139  1.00 93.25           N  
+ATOM    372  CA  LYS A  51       6.714  10.763 -17.621  1.00 93.25           C  
+ATOM    373  C   LYS A  51       5.855  11.554 -18.604  1.00 93.25           C  
+ATOM    374  CB  LYS A  51       8.036  10.368 -18.281  1.00 93.25           C  
+ATOM    375  O   LYS A  51       5.863  12.787 -18.592  1.00 93.25           O  
+ATOM    376  CG  LYS A  51       9.092   9.874 -17.304  1.00 93.25           C  
+ATOM    377  CD  LYS A  51      10.357   9.427 -18.026  1.00 93.25           C  
+ATOM    378  CE  LYS A  51      11.365   8.815 -17.063  1.00 93.25           C  
+ATOM    379  NZ  LYS A  51      12.545   8.248 -17.783  1.00 93.25           N  
+ATOM    380  N   GLN A  52       5.067  10.827 -19.369  1.00 93.99           N  
+ATOM    381  CA  GLN A  52       4.193  11.468 -20.346  1.00 93.99           C  
+ATOM    382  C   GLN A  52       3.116  12.301 -19.656  1.00 93.99           C  
+ATOM    383  CB  GLN A  52       3.547  10.424 -21.257  1.00 93.99           C  
+ATOM    384  O   GLN A  52       2.725  13.357 -20.157  1.00 93.99           O  
+ATOM    385  CG  GLN A  52       4.494   9.849 -22.301  1.00 93.99           C  
+ATOM    386  CD  GLN A  52       4.840  10.845 -23.392  1.00 93.99           C  
+ATOM    387  NE2 GLN A  52       5.280  10.339 -24.539  1.00 93.99           N  
+ATOM    388  OE1 GLN A  52       4.713  12.059 -23.205  1.00 93.99           O  
+ATOM    389  N   MET A  53       2.706  11.801 -18.522  1.00 91.20           N  
+ATOM    390  CA  MET A  53       1.659  12.520 -17.802  1.00 91.20           C  
+ATOM    391  C   MET A  53       2.149  13.895 -17.360  1.00 91.20           C  
+ATOM    392  CB  MET A  53       1.191  11.716 -16.588  1.00 91.20           C  
+ATOM    393  O   MET A  53       1.384  14.861 -17.363  1.00 91.20           O  
+ATOM    394  CG  MET A  53       0.448  10.439 -16.947  1.00 91.20           C  
+ATOM    395  SD  MET A  53      -0.993  10.749 -18.040  1.00 91.20           S  
+ATOM    396  CE  MET A  53      -0.590   9.645 -19.422  1.00 91.20           C  
+ATOM    397  N   LYS A  54       3.398  13.907 -17.079  1.00 90.55           N  
+ATOM    398  CA  LYS A  54       3.995  15.189 -16.718  1.00 90.55           C  
+ATOM    399  C   LYS A  54       4.047  16.129 -17.918  1.00 90.55           C  
+ATOM    400  CB  LYS A  54       5.401  14.986 -16.150  1.00 90.55           C  
+ATOM    401  O   LYS A  54       3.743  17.318 -17.797  1.00 90.55           O  
+ATOM    402  CG  LYS A  54       6.028  16.251 -15.583  1.00 90.55           C  
+ATOM    403  CD  LYS A  54       7.320  15.947 -14.835  1.00 90.55           C  
+ATOM    404  CE  LYS A  54       7.970  17.217 -14.302  1.00 90.55           C  
+ATOM    405  NZ  LYS A  54       9.113  16.913 -13.391  1.00 90.55           N  
+ATOM    406  N   ILE A  55       4.349  15.617 -19.038  1.00 91.95           N  
+ATOM    407  CA  ILE A  55       4.469  16.403 -20.261  1.00 91.95           C  
+ATOM    408  C   ILE A  55       3.086  16.870 -20.711  1.00 91.95           C  
+ATOM    409  CB  ILE A  55       5.155  15.598 -21.386  1.00 91.95           C  
+ATOM    410  O   ILE A  55       2.902  18.039 -21.061  1.00 91.95           O  
+ATOM    411  CG1 ILE A  55       6.616  15.310 -21.022  1.00 91.95           C  
+ATOM    412  CG2 ILE A  55       5.060  16.344 -22.720  1.00 91.95           C  
+ATOM    413  CD1 ILE A  55       7.322  14.371 -21.991  1.00 91.95           C  
+ATOM    414  N   ILE A  56       2.116  16.056 -20.653  1.00 90.22           N  
+ATOM    415  CA  ILE A  56       0.801  16.310 -21.231  1.00 90.22           C  
+ATOM    416  C   ILE A  56      -0.030  17.158 -20.270  1.00 90.22           C  
+ATOM    417  CB  ILE A  56       0.063  14.992 -21.557  1.00 90.22           C  
+ATOM    418  O   ILE A  56      -0.730  18.081 -20.693  1.00 90.22           O  
+ATOM    419  CG1 ILE A  56       0.813  14.216 -22.646  1.00 90.22           C  
+ATOM    420  CG2 ILE A  56      -1.382  15.273 -21.981  1.00 90.22           C  
+ATOM    421  CD1 ILE A  56       0.313  12.792 -22.847  1.00 90.22           C  
+ATOM    422  N   HIS A  57       0.052  16.927 -19.003  1.00 87.08           N  
+ATOM    423  CA  HIS A  57      -0.930  17.490 -18.083  1.00 87.08           C  
+ATOM    424  C   HIS A  57      -0.277  18.466 -17.110  1.00 87.08           C  
+ATOM    425  CB  HIS A  57      -1.642  16.378 -17.312  1.00 87.08           C  
+ATOM    426  O   HIS A  57      -0.966  19.129 -16.332  1.00 87.08           O  
+ATOM    427  CG  HIS A  57      -2.484  15.493 -18.176  1.00 87.08           C  
+ATOM    428  CD2 HIS A  57      -2.384  14.173 -18.461  1.00 87.08           C  
+ATOM    429  ND1 HIS A  57      -3.583  15.955 -18.866  1.00 87.08           N  
+ATOM    430  CE1 HIS A  57      -4.125  14.955 -19.541  1.00 87.08           C  
+ATOM    431  NE2 HIS A  57      -3.416  13.863 -19.312  1.00 87.08           N  
+ATOM    432  N   GLU A  58       0.963  18.626 -17.225  1.00 86.17           N  
+ATOM    433  CA  GLU A  58       1.687  19.645 -16.470  1.00 86.17           C  
+ATOM    434  C   GLU A  58       2.472  20.567 -17.399  1.00 86.17           C  
+ATOM    435  CB  GLU A  58       2.630  18.994 -15.455  1.00 86.17           C  
+ATOM    436  O   GLU A  58       2.023  20.869 -18.507  1.00 86.17           O  
+ATOM    437  CG  GLU A  58       1.914  18.210 -14.364  1.00 86.17           C  
+ATOM    438  CD  GLU A  58       2.853  17.677 -13.294  1.00 86.17           C  
+ATOM    439  OE1 GLU A  58       2.379  17.000 -12.353  1.00 86.17           O  
+ATOM    440  OE2 GLU A  58       4.073  17.937 -13.398  1.00 86.17           O  
+ATOM    441  N   ALA A  59       3.597  21.209 -16.882  1.00 87.09           N  
+ATOM    442  CA  ALA A  59       4.344  22.173 -17.686  1.00 87.09           C  
+ATOM    443  C   ALA A  59       5.524  21.505 -18.387  1.00 87.09           C  
+ATOM    444  CB  ALA A  59       4.831  23.328 -16.814  1.00 87.09           C  
+ATOM    445  O   ALA A  59       6.369  22.184 -18.976  1.00 87.09           O  
+ATOM    446  N   GLY A  60       5.393  20.097 -18.414  1.00 89.83           N  
+ATOM    447  CA  GLY A  60       6.538  19.398 -18.975  1.00 89.83           C  
+ATOM    448  C   GLY A  60       7.788  19.521 -18.125  1.00 89.83           C  
+ATOM    449  O   GLY A  60       7.708  19.844 -16.938  1.00 89.83           O  
+ATOM    450  N   TYR A  61       8.970  19.148 -18.705  1.00 92.61           N  
+ATOM    451  CA  TYR A  61      10.232  19.206 -17.976  1.00 92.61           C  
+ATOM    452  C   TYR A  61      10.948  20.528 -18.229  1.00 92.61           C  
+ATOM    453  CB  TYR A  61      11.138  18.037 -18.375  1.00 92.61           C  
+ATOM    454  O   TYR A  61      11.168  20.911 -19.381  1.00 92.61           O  
+ATOM    455  CG  TYR A  61      10.607  16.688 -17.955  1.00 92.61           C  
+ATOM    456  CD1 TYR A  61      10.938  16.142 -16.717  1.00 92.61           C  
+ATOM    457  CD2 TYR A  61       9.776  15.956 -18.796  1.00 92.61           C  
+ATOM    458  CE1 TYR A  61      10.453  14.898 -16.327  1.00 92.61           C  
+ATOM    459  CE2 TYR A  61       9.285  14.711 -18.416  1.00 92.61           C  
+ATOM    460  OH  TYR A  61       9.145  12.959 -16.801  1.00 92.61           O  
+ATOM    461  CZ  TYR A  61       9.628  14.191 -17.182  1.00 92.61           C  
+ATOM    462  N   SER A  62      11.230  21.194 -17.105  1.00 93.70           N  
+ATOM    463  CA  SER A  62      11.986  22.437 -17.223  1.00 93.70           C  
+ATOM    464  C   SER A  62      13.424  22.171 -17.654  1.00 93.70           C  
+ATOM    465  CB  SER A  62      11.975  23.199 -15.897  1.00 93.70           C  
+ATOM    466  O   SER A  62      13.893  21.032 -17.603  1.00 93.70           O  
+ATOM    467  OG  SER A  62      12.730  22.511 -14.915  1.00 93.70           O  
+ATOM    468  N   GLU A  63      14.094  23.143 -18.087  1.00 94.06           N  
+ATOM    469  CA  GLU A  63      15.491  23.005 -18.489  1.00 94.06           C  
+ATOM    470  C   GLU A  63      16.339  22.441 -17.352  1.00 94.06           C  
+ATOM    471  CB  GLU A  63      16.055  24.352 -18.948  1.00 94.06           C  
+ATOM    472  O   GLU A  63      17.195  21.583 -17.576  1.00 94.06           O  
+ATOM    473  CG  GLU A  63      17.419  24.253 -19.614  1.00 94.06           C  
+ATOM    474  CD  GLU A  63      17.911  25.578 -20.175  1.00 94.06           C  
+ATOM    475  OE1 GLU A  63      19.139  25.741 -20.359  1.00 94.06           O  
+ATOM    476  OE2 GLU A  63      17.062  26.461 -20.430  1.00 94.06           O  
+ATOM    477  N   GLU A  64      16.114  22.947 -16.142  1.00 93.33           N  
+ATOM    478  CA  GLU A  64      16.851  22.493 -14.966  1.00 93.33           C  
+ATOM    479  C   GLU A  64      16.613  21.009 -14.705  1.00 93.33           C  
+ATOM    480  CB  GLU A  64      16.458  23.314 -13.735  1.00 93.33           C  
+ATOM    481  O   GLU A  64      17.549  20.270 -14.394  1.00 93.33           O  
+ATOM    482  CG  GLU A  64      16.978  24.744 -13.758  1.00 93.33           C  
+ATOM    483  CD  GLU A  64      16.178  25.659 -14.672  1.00 93.33           C  
+ATOM    484  OE1 GLU A  64      16.674  26.755 -15.018  1.00 93.33           O  
+ATOM    485  OE2 GLU A  64      15.046  25.276 -15.044  1.00 93.33           O  
+ATOM    486  N   GLU A  65      15.366  20.622 -14.876  1.00 92.53           N  
+ATOM    487  CA  GLU A  65      15.011  19.217 -14.700  1.00 92.53           C  
+ATOM    488  C   GLU A  65      15.652  18.346 -15.776  1.00 92.53           C  
+ATOM    489  CB  GLU A  65      13.490  19.040 -14.718  1.00 92.53           C  
+ATOM    490  O   GLU A  65      16.109  17.236 -15.494  1.00 92.53           O  
+ATOM    491  CG  GLU A  65      12.794  19.578 -13.476  1.00 92.53           C  
+ATOM    492  CD  GLU A  65      11.277  19.529 -13.569  1.00 92.53           C  
+ATOM    493  OE1 GLU A  65      10.619  19.165 -12.569  1.00 92.53           O  
+ATOM    494  OE2 GLU A  65      10.743  19.856 -14.653  1.00 92.53           O  
+ATOM    495  N   CYS A  66      15.623  18.856 -16.931  1.00 94.68           N  
+ATOM    496  CA  CYS A  66      16.230  18.131 -18.041  1.00 94.68           C  
+ATOM    497  C   CYS A  66      17.723  17.931 -17.811  1.00 94.68           C  
+ATOM    498  CB  CYS A  66      16.003  18.876 -19.356  1.00 94.68           C  
+ATOM    499  O   CYS A  66      18.268  16.871 -18.125  1.00 94.68           O  
+ATOM    500  SG  CYS A  66      14.302  18.789 -19.958  1.00 94.68           S  
+ATOM    501  N   LYS A  67      18.351  18.878 -17.211  1.00 94.14           N  
+ATOM    502  CA  LYS A  67      19.783  18.809 -16.934  1.00 94.14           C  
+ATOM    503  C   LYS A  67      20.102  17.669 -15.971  1.00 94.14           C  
+ATOM    504  CB  LYS A  67      20.284  20.135 -16.361  1.00 94.14           C  
+ATOM    505  O   LYS A  67      21.179  17.073 -16.041  1.00 94.14           O  
+ATOM    506  CG  LYS A  67      20.482  21.225 -17.405  1.00 94.14           C  
+ATOM    507  CD  LYS A  67      21.025  22.504 -16.781  1.00 94.14           C  
+ATOM    508  CE  LYS A  67      21.162  23.616 -17.812  1.00 94.14           C  
+ATOM    509  NZ  LYS A  67      21.585  24.904 -17.186  1.00 94.14           N  
+ATOM    510  N   GLN A  68      19.152  17.387 -15.157  1.00 93.77           N  
+ATOM    511  CA  GLN A  68      19.353  16.337 -14.163  1.00 93.77           C  
+ATOM    512  C   GLN A  68      19.391  14.960 -14.818  1.00 93.77           C  
+ATOM    513  CB  GLN A  68      18.251  16.384 -13.103  1.00 93.77           C  
+ATOM    514  O   GLN A  68      19.887  13.999 -14.225  1.00 93.77           O  
+ATOM    515  CG  GLN A  68      18.297  17.626 -12.223  1.00 93.77           C  
+ATOM    516  CD  GLN A  68      17.126  17.708 -11.262  1.00 93.77           C  
+ATOM    517  NE2 GLN A  68      17.059  18.794 -10.499  1.00 93.77           N  
+ATOM    518  OE1 GLN A  68      16.287  16.803 -11.206  1.00 93.77           O  
+ATOM    519  N   TYR A  69      18.926  14.938 -16.078  1.00 95.08           N  
+ATOM    520  CA  TYR A  69      18.846  13.646 -16.751  1.00 95.08           C  
+ATOM    521  C   TYR A  69      20.057  13.423 -17.648  1.00 95.08           C  
+ATOM    522  CB  TYR A  69      17.559  13.549 -17.576  1.00 95.08           C  
+ATOM    523  O   TYR A  69      20.190  12.367 -18.271  1.00 95.08           O  
+ATOM    524  CG  TYR A  69      16.332  13.241 -16.753  1.00 95.08           C  
+ATOM    525  CD1 TYR A  69      15.937  11.925 -16.522  1.00 95.08           C  
+ATOM    526  CD2 TYR A  69      15.565  14.264 -16.206  1.00 95.08           C  
+ATOM    527  CE1 TYR A  69      14.806  11.636 -15.765  1.00 95.08           C  
+ATOM    528  CE2 TYR A  69      14.432  13.987 -15.448  1.00 95.08           C  
+ATOM    529  OH  TYR A  69      12.940  12.392 -14.484  1.00 95.08           O  
+ATOM    530  CZ  TYR A  69      14.061  12.672 -15.233  1.00 95.08           C  
+ATOM    531  N   LYS A  70      20.802  14.390 -17.692  1.00 94.44           N  
+ATOM    532  CA  LYS A  70      21.982  14.348 -18.551  1.00 94.44           C  
+ATOM    533  C   LYS A  70      22.859  13.143 -18.223  1.00 94.44           C  
+ATOM    534  CB  LYS A  70      22.792  15.638 -18.415  1.00 94.44           C  
+ATOM    535  O   LYS A  70      23.252  12.392 -19.118  1.00 94.44           O  
+ATOM    536  CG  LYS A  70      23.929  15.764 -19.418  1.00 94.44           C  
+ATOM    537  CD  LYS A  70      24.612  17.122 -19.321  1.00 94.44           C  
+ATOM    538  CE  LYS A  70      25.722  17.265 -20.354  1.00 94.44           C  
+ATOM    539  NZ  LYS A  70      26.363  18.613 -20.294  1.00 94.44           N  
+ATOM    540  N   ALA A  71      23.097  12.930 -17.033  1.00 93.11           N  
+ATOM    541  CA  ALA A  71      23.952  11.829 -16.596  1.00 93.11           C  
+ATOM    542  C   ALA A  71      23.342  10.480 -16.967  1.00 93.11           C  
+ATOM    543  CB  ALA A  71      24.190  11.906 -15.090  1.00 93.11           C  
+ATOM    544  O   ALA A  71      24.055   9.560 -17.373  1.00 93.11           O  
+ATOM    545  N   VAL A  72      22.096  10.452 -16.871  1.00 94.82           N  
+ATOM    546  CA  VAL A  72      21.390   9.209 -17.166  1.00 94.82           C  
+ATOM    547  C   VAL A  72      21.460   8.917 -18.663  1.00 94.82           C  
+ATOM    548  CB  VAL A  72      19.916   9.271 -16.704  1.00 94.82           C  
+ATOM    549  O   VAL A  72      21.690   7.775 -19.068  1.00 94.82           O  
+ATOM    550  CG1 VAL A  72      19.189   7.971 -17.044  1.00 94.82           C  
+ATOM    551  CG2 VAL A  72      19.840   9.552 -15.204  1.00 94.82           C  
+ATOM    552  N   VAL A  73      21.236   9.914 -19.461  1.00 96.33           N  
+ATOM    553  CA  VAL A  73      21.314   9.762 -20.910  1.00 96.33           C  
+ATOM    554  C   VAL A  73      22.703   9.265 -21.304  1.00 96.33           C  
+ATOM    555  CB  VAL A  73      20.995  11.088 -21.637  1.00 96.33           C  
+ATOM    556  O   VAL A  73      22.832   8.323 -22.088  1.00 96.33           O  
+ATOM    557  CG1 VAL A  73      21.317  10.977 -23.127  1.00 96.33           C  
+ATOM    558  CG2 VAL A  73      19.531  11.470 -21.430  1.00 96.33           C  
+ATOM    559  N   TYR A  74      23.708   9.852 -20.737  1.00 95.22           N  
+ATOM    560  CA  TYR A  74      25.078   9.442 -21.023  1.00 95.22           C  
+ATOM    561  C   TYR A  74      25.304   7.987 -20.630  1.00 95.22           C  
+ATOM    562  CB  TYR A  74      26.074  10.342 -20.287  1.00 95.22           C  
+ATOM    563  O   TYR A  74      25.862   7.207 -21.406  1.00 95.22           O  
+ATOM    564  CG  TYR A  74      26.198  11.724 -20.882  1.00 95.22           C  
+ATOM    565  CD1 TYR A  74      25.638  12.022 -22.122  1.00 95.22           C  
+ATOM    566  CD2 TYR A  74      26.877  12.733 -20.207  1.00 95.22           C  
+ATOM    567  CE1 TYR A  74      25.751  13.293 -22.676  1.00 95.22           C  
+ATOM    568  CE2 TYR A  74      26.997  14.007 -20.751  1.00 95.22           C  
+ATOM    569  OH  TYR A  74      26.547  15.538 -22.527  1.00 95.22           O  
+ATOM    570  CZ  TYR A  74      26.431  14.278 -21.983  1.00 95.22           C  
+ATOM    571  N   SER A  75      24.874   7.743 -19.475  1.00 93.83           N  
+ATOM    572  CA  SER A  75      25.041   6.386 -18.965  1.00 93.83           C  
+ATOM    573  C   SER A  75      24.345   5.368 -19.863  1.00 93.83           C  
+ATOM    574  CB  SER A  75      24.496   6.278 -17.540  1.00 93.83           C  
+ATOM    575  O   SER A  75      24.921   4.330 -20.196  1.00 93.83           O  
+ATOM    576  OG  SER A  75      24.587   4.945 -17.067  1.00 93.83           O  
+ATOM    577  N   ASN A  76      23.081   5.595 -20.230  1.00 95.01           N  
+ATOM    578  CA  ASN A  76      22.326   4.692 -21.092  1.00 95.01           C  
+ATOM    579  C   ASN A  76      23.004   4.515 -22.447  1.00 95.01           C  
+ATOM    580  CB  ASN A  76      20.894   5.198 -21.276  1.00 95.01           C  
+ATOM    581  O   ASN A  76      23.020   3.412 -22.998  1.00 95.01           O  
+ATOM    582  CG  ASN A  76      20.049   5.027 -20.029  1.00 95.01           C  
+ATOM    583  ND2 ASN A  76      20.565   4.281 -19.061  1.00 95.01           N  
+ATOM    584  OD1 ASN A  76      18.941   5.562 -19.938  1.00 95.01           O  
+ATOM    585  N   THR A  77      23.637   5.606 -22.968  1.00 96.19           N  
+ATOM    586  CA  THR A  77      24.333   5.565 -24.250  1.00 96.19           C  
+ATOM    587  C   THR A  77      25.576   4.684 -24.162  1.00 96.19           C  
+ATOM    588  CB  THR A  77      24.733   6.977 -24.714  1.00 96.19           C  
+ATOM    589  O   THR A  77      25.768   3.788 -24.987  1.00 96.19           O  
+ATOM    590  CG2 THR A  77      25.405   6.936 -26.083  1.00 96.19           C  
+ATOM    591  OG1 THR A  77      23.561   7.798 -24.794  1.00 96.19           O  
+ATOM    592  N   ILE A  78      26.343   4.880 -23.147  1.00 94.96           N  
+ATOM    593  CA  ILE A  78      27.606   4.176 -22.953  1.00 94.96           C  
+ATOM    594  C   ILE A  78      27.337   2.696 -22.693  1.00 94.96           C  
+ATOM    595  CB  ILE A  78      28.421   4.786 -21.791  1.00 94.96           C  
+ATOM    596  O   ILE A  78      27.952   1.827 -23.316  1.00 94.96           O  
+ATOM    597  CG1 ILE A  78      28.865   6.211 -22.139  1.00 94.96           C  
+ATOM    598  CG2 ILE A  78      29.626   3.902 -21.455  1.00 94.96           C  
+ATOM    599  CD1 ILE A  78      29.427   6.990 -20.959  1.00 94.96           C  
+ATOM    600  N   GLN A  79      26.406   2.462 -21.887  1.00 94.46           N  
+ATOM    601  CA  GLN A  79      26.080   1.083 -21.540  1.00 94.46           C  
+ATOM    602  C   GLN A  79      25.531   0.327 -22.746  1.00 94.46           C  
+ATOM    603  CB  GLN A  79      25.072   1.042 -20.391  1.00 94.46           C  
+ATOM    604  O   GLN A  79      25.766  -0.874 -22.892  1.00 94.46           O  
+ATOM    605  CG  GLN A  79      25.657   1.448 -19.045  1.00 94.46           C  
+ATOM    606  CD  GLN A  79      24.668   1.294 -17.904  1.00 94.46           C  
+ATOM    607  NE2 GLN A  79      25.164   1.370 -16.674  1.00 94.46           N  
+ATOM    608  OE1 GLN A  79      23.467   1.108 -18.127  1.00 94.46           O  
+ATOM    609  N   SER A  80      24.792   0.999 -23.580  1.00 97.05           N  
+ATOM    610  CA  SER A  80      24.241   0.370 -24.776  1.00 97.05           C  
+ATOM    611  C   SER A  80      25.348  -0.103 -25.712  1.00 97.05           C  
+ATOM    612  CB  SER A  80      23.317   1.339 -25.515  1.00 97.05           C  
+ATOM    613  O   SER A  80      25.320  -1.238 -26.191  1.00 97.05           O  
+ATOM    614  OG  SER A  80      22.151   1.601 -24.754  1.00 97.05           O  
+ATOM    615  N   ILE A  81      26.353   0.748 -25.924  1.00 97.60           N  
+ATOM    616  CA  ILE A  81      27.422   0.371 -26.843  1.00 97.60           C  
+ATOM    617  C   ILE A  81      28.298  -0.704 -26.203  1.00 97.60           C  
+ATOM    618  CB  ILE A  81      28.279   1.593 -27.243  1.00 97.60           C  
+ATOM    619  O   ILE A  81      28.762  -1.621 -26.884  1.00 97.60           O  
+ATOM    620  CG1 ILE A  81      29.211   1.234 -28.406  1.00 97.60           C  
+ATOM    621  CG2 ILE A  81      29.077   2.110 -26.042  1.00 97.60           C  
+ATOM    622  CD1 ILE A  81      28.483   0.858 -29.689  1.00 97.60           C  
+ATOM    623  N   ILE A  82      28.518  -0.686 -24.978  1.00 96.19           N  
+ATOM    624  CA  ILE A  82      29.278  -1.707 -24.265  1.00 96.19           C  
+ATOM    625  C   ILE A  82      28.565  -3.053 -24.378  1.00 96.19           C  
+ATOM    626  CB  ILE A  82      29.477  -1.330 -22.780  1.00 96.19           C  
+ATOM    627  O   ILE A  82      29.200  -4.079 -24.636  1.00 96.19           O  
+ATOM    628  CG1 ILE A  82      30.523  -0.217 -22.647  1.00 96.19           C  
+ATOM    629  CG2 ILE A  82      29.878  -2.559 -21.959  1.00 96.19           C  
+ATOM    630  CD1 ILE A  82      30.728   0.273 -21.220  1.00 96.19           C  
+ATOM    631  N   ALA A  83      27.276  -2.997 -24.184  1.00 96.90           N  
+ATOM    632  CA  ALA A  83      26.494  -4.225 -24.292  1.00 96.90           C  
+ATOM    633  C   ALA A  83      26.626  -4.839 -25.683  1.00 96.90           C  
+ATOM    634  CB  ALA A  83      25.026  -3.952 -23.972  1.00 96.90           C  
+ATOM    635  O   ALA A  83      26.762  -6.057 -25.820  1.00 96.90           O  
+ATOM    636  N   ILE A  84      26.633  -4.026 -26.674  1.00 98.22           N  
+ATOM    637  CA  ILE A  84      26.747  -4.497 -28.050  1.00 98.22           C  
+ATOM    638  C   ILE A  84      28.126  -5.115 -28.270  1.00 98.22           C  
+ATOM    639  CB  ILE A  84      26.504  -3.355 -29.061  1.00 98.22           C  
+ATOM    640  O   ILE A  84      28.240  -6.213 -28.821  1.00 98.22           O  
+ATOM    641  CG1 ILE A  84      25.059  -2.851 -28.960  1.00 98.22           C  
+ATOM    642  CG2 ILE A  84      26.825  -3.817 -30.485  1.00 98.22           C  
+ATOM    643  CD1 ILE A  84      24.784  -1.595 -29.775  1.00 98.22           C  
+ATOM    644  N   ILE A  85      29.159  -4.471 -27.814  1.00 97.67           N  
+ATOM    645  CA  ILE A  85      30.532  -4.925 -28.011  1.00 97.67           C  
+ATOM    646  C   ILE A  85      30.760  -6.226 -27.246  1.00 97.67           C  
+ATOM    647  CB  ILE A  85      31.551  -3.853 -27.563  1.00 97.67           C  
+ATOM    648  O   ILE A  85      31.398  -7.150 -27.756  1.00 97.67           O  
+ATOM    649  CG1 ILE A  85      31.404  -2.587 -28.415  1.00 97.67           C  
+ATOM    650  CG2 ILE A  85      32.979  -4.401 -27.637  1.00 97.67           C  
+ATOM    651  CD1 ILE A  85      31.618  -2.816 -29.905  1.00 97.67           C  
+ATOM    652  N   ARG A  86      30.286  -6.350 -26.099  1.00 96.67           N  
+ATOM    653  CA  ARG A  86      30.379  -7.589 -25.333  1.00 96.67           C  
+ATOM    654  C   ARG A  86      29.678  -8.733 -26.057  1.00 96.67           C  
+ATOM    655  CB  ARG A  86      29.778  -7.405 -23.938  1.00 96.67           C  
+ATOM    656  O   ARG A  86      30.202  -9.847 -26.122  1.00 96.67           O  
+ATOM    657  CG  ARG A  86      30.689  -6.673 -22.966  1.00 96.67           C  
+ATOM    658  CD  ARG A  86      30.059  -6.550 -21.586  1.00 96.67           C  
+ATOM    659  NE  ARG A  86      30.915  -5.803 -20.668  1.00 96.67           N  
+ATOM    660  NH1 ARG A  86      29.260  -5.434 -19.099  1.00 96.67           N  
+ATOM    661  NH2 ARG A  86      31.377  -4.629 -18.749  1.00 96.67           N  
+ATOM    662  CZ  ARG A  86      30.515  -5.290 -19.507  1.00 96.67           C  
+ATOM    663  N   ALA A  87      28.538  -8.436 -26.591  1.00 97.20           N  
+ATOM    664  CA  ALA A  87      27.756  -9.440 -27.308  1.00 97.20           C  
+ATOM    665  C   ALA A  87      28.488  -9.915 -28.559  1.00 97.20           C  
+ATOM    666  CB  ALA A  87      26.384  -8.882 -27.677  1.00 97.20           C  
+ATOM    667  O   ALA A  87      28.337 -11.066 -28.976  1.00 97.20           O  
+ATOM    668  N   MET A  88      29.205  -9.041 -29.155  1.00 97.43           N  
+ATOM    669  CA  MET A  88      29.992  -9.415 -30.327  1.00 97.43           C  
+ATOM    670  C   MET A  88      30.944 -10.561 -30.000  1.00 97.43           C  
+ATOM    671  CB  MET A  88      30.781  -8.214 -30.851  1.00 97.43           C  
+ATOM    672  O   MET A  88      31.104 -11.486 -30.798  1.00 97.43           O  
+ATOM    673  CG  MET A  88      29.924  -7.186 -31.573  1.00 97.43           C  
+ATOM    674  SD  MET A  88      30.903  -5.759 -32.183  1.00 97.43           S  
+ATOM    675  CE  MET A  88      31.837  -6.558 -33.518  1.00 97.43           C  
+ATOM    676  N   GLY A  89      31.609 -10.489 -28.835  1.00 94.05           N  
+ATOM    677  CA  GLY A  89      32.478 -11.566 -28.386  1.00 94.05           C  
+ATOM    678  C   GLY A  89      31.752 -12.887 -28.215  1.00 94.05           C  
+ATOM    679  O   GLY A  89      32.228 -13.927 -28.674  1.00 94.05           O  
+ATOM    680  N   ARG A  90      30.594 -12.811 -27.669  1.00 94.35           N  
+ATOM    681  CA  ARG A  90      29.779 -13.990 -27.397  1.00 94.35           C  
+ATOM    682  C   ARG A  90      29.237 -14.590 -28.690  1.00 94.35           C  
+ATOM    683  CB  ARG A  90      28.624 -13.641 -26.456  1.00 94.35           C  
+ATOM    684  O   ARG A  90      29.228 -15.812 -28.858  1.00 94.35           O  
+ATOM    685  CG  ARG A  90      29.054 -13.392 -25.019  1.00 94.35           C  
+ATOM    686  CD  ARG A  90      27.867 -13.061 -24.125  1.00 94.35           C  
+ATOM    687  NE  ARG A  90      28.295 -12.655 -22.790  1.00 94.35           N  
+ATOM    688  NH1 ARG A  90      26.163 -12.222 -22.012  1.00 94.35           N  
+ATOM    689  NH2 ARG A  90      27.973 -11.917 -20.639  1.00 94.35           N  
+ATOM    690  CZ  ARG A  90      27.476 -12.266 -21.817  1.00 94.35           C  
+ATOM    691  N   LEU A  91      28.881 -13.730 -29.609  1.00 95.82           N  
+ATOM    692  CA  LEU A  91      28.256 -14.173 -30.851  1.00 95.82           C  
+ATOM    693  C   LEU A  91      29.304 -14.402 -31.935  1.00 95.82           C  
+ATOM    694  CB  LEU A  91      27.226 -13.147 -31.329  1.00 95.82           C  
+ATOM    695  O   LEU A  91      28.971 -14.811 -33.050  1.00 95.82           O  
+ATOM    696  CG  LEU A  91      26.004 -12.945 -30.432  1.00 95.82           C  
+ATOM    697  CD1 LEU A  91      25.138 -11.808 -30.964  1.00 95.82           C  
+ATOM    698  CD2 LEU A  91      25.197 -14.235 -30.329  1.00 95.82           C  
+ATOM    699  N   LYS A  92      30.517 -14.165 -31.499  1.00 96.49           N  
+ATOM    700  CA  LYS A  92      31.674 -14.377 -32.365  1.00 96.49           C  
+ATOM    701  C   LYS A  92      31.543 -13.584 -33.662  1.00 96.49           C  
+ATOM    702  CB  LYS A  92      31.847 -15.865 -32.675  1.00 96.49           C  
+ATOM    703  O   LYS A  92      31.760 -14.122 -34.749  1.00 96.49           O  
+ATOM    704  CG  LYS A  92      32.133 -16.723 -31.452  1.00 96.49           C  
+ATOM    705  CD  LYS A  92      32.431 -18.166 -31.840  1.00 96.49           C  
+ATOM    706  CE  LYS A  92      32.736 -19.022 -30.618  1.00 96.49           C  
+ATOM    707  NZ  LYS A  92      33.026 -20.439 -30.993  1.00 96.49           N  
+ATOM    708  N   ILE A  93      31.175 -12.333 -33.584  1.00 96.85           N  
+ATOM    709  CA  ILE A  93      31.087 -11.405 -34.706  1.00 96.85           C  
+ATOM    710  C   ILE A  93      32.350 -10.547 -34.766  1.00 96.85           C  
+ATOM    711  CB  ILE A  93      29.834 -10.507 -34.599  1.00 96.85           C  
+ATOM    712  O   ILE A  93      32.723  -9.910 -33.778  1.00 96.85           O  
+ATOM    713  CG1 ILE A  93      28.564 -11.364 -34.572  1.00 96.85           C  
+ATOM    714  CG2 ILE A  93      29.791  -9.501 -35.753  1.00 96.85           C  
+ATOM    715  CD1 ILE A  93      27.287 -10.571 -34.330  1.00 96.85           C  
+ATOM    716  N   ASP A  94      32.988 -10.565 -35.947  1.00 97.20           N  
+ATOM    717  CA  ASP A  94      34.214  -9.794 -36.120  1.00 97.20           C  
+ATOM    718  C   ASP A  94      33.904  -8.344 -36.485  1.00 97.20           C  
+ATOM    719  CB  ASP A  94      35.101 -10.428 -37.194  1.00 97.20           C  
+ATOM    720  O   ASP A  94      32.841  -8.050 -37.036  1.00 97.20           O  
+ATOM    721  CG  ASP A  94      35.622 -11.799 -36.800  1.00 97.20           C  
+ATOM    722  OD1 ASP A  94      35.946 -12.009 -35.611  1.00 97.20           O  
+ATOM    723  OD2 ASP A  94      35.711 -12.675 -37.686  1.00 97.20           O  
+ATOM    724  N   PHE A  95      34.893  -7.493 -36.128  1.00 97.97           N  
+ATOM    725  CA  PHE A  95      34.759  -6.107 -36.563  1.00 97.97           C  
+ATOM    726  C   PHE A  95      34.897  -5.999 -38.077  1.00 97.97           C  
+ATOM    727  CB  PHE A  95      35.806  -5.224 -35.876  1.00 97.97           C  
+ATOM    728  O   PHE A  95      35.598  -6.799 -38.701  1.00 97.97           O  
+ATOM    729  CG  PHE A  95      35.604  -5.087 -34.391  1.00 97.97           C  
+ATOM    730  CD1 PHE A  95      34.586  -4.288 -33.885  1.00 97.97           C  
+ATOM    731  CD2 PHE A  95      36.433  -5.757 -33.501  1.00 97.97           C  
+ATOM    732  CE1 PHE A  95      34.397  -4.160 -32.511  1.00 97.97           C  
+ATOM    733  CE2 PHE A  95      36.251  -5.633 -32.127  1.00 97.97           C  
+ATOM    734  CZ  PHE A  95      35.232  -4.833 -31.634  1.00 97.97           C  
+ATOM    735  N   GLY A  96      34.111  -5.096 -38.643  1.00 95.37           N  
+ATOM    736  CA  GLY A  96      34.290  -4.824 -40.060  1.00 95.37           C  
+ATOM    737  C   GLY A  96      35.673  -4.299 -40.397  1.00 95.37           C  
+ATOM    738  O   GLY A  96      36.254  -4.674 -41.418  1.00 95.37           O  
+ATOM    739  N   ASP A  97      36.200  -3.454 -39.498  1.00 95.03           N  
+ATOM    740  CA  ASP A  97      37.551  -2.903 -39.537  1.00 95.03           C  
+ATOM    741  C   ASP A  97      38.376  -3.388 -38.346  1.00 95.03           C  
+ATOM    742  CB  ASP A  97      37.507  -1.374 -39.558  1.00 95.03           C  
+ATOM    743  O   ASP A  97      38.018  -3.138 -37.193  1.00 95.03           O  
+ATOM    744  CG  ASP A  97      38.870  -0.744 -39.782  1.00 95.03           C  
+ATOM    745  OD1 ASP A  97      39.895  -1.452 -39.672  1.00 95.03           O  
+ATOM    746  OD2 ASP A  97      38.921   0.471 -40.070  1.00 95.03           O  
+ATOM    747  N   ALA A  98      39.530  -4.001 -38.638  1.00 92.99           N  
+ATOM    748  CA  ALA A  98      40.359  -4.608 -37.601  1.00 92.99           C  
+ATOM    749  C   ALA A  98      40.865  -3.557 -36.617  1.00 92.99           C  
+ATOM    750  CB  ALA A  98      41.534  -5.355 -38.228  1.00 92.99           C  
+ATOM    751  O   ALA A  98      41.151  -3.867 -35.459  1.00 92.99           O  
+ATOM    752  N   ALA A  99      40.935  -2.265 -37.097  1.00 92.63           N  
+ATOM    753  CA  ALA A  99      41.407  -1.161 -36.265  1.00 92.63           C  
+ATOM    754  C   ALA A  99      40.433  -0.876 -35.126  1.00 92.63           C  
+ATOM    755  CB  ALA A  99      41.612   0.093 -37.112  1.00 92.63           C  
+ATOM    756  O   ALA A  99      40.810  -0.283 -34.112  1.00 92.63           O  
+ATOM    757  N   ARG A 100      39.202  -1.397 -35.261  1.00 96.81           N  
+ATOM    758  CA  ARG A 100      38.178  -1.103 -34.263  1.00 96.81           C  
+ATOM    759  C   ARG A 100      38.388  -1.933 -33.002  1.00 96.81           C  
+ATOM    760  CB  ARG A 100      36.782  -1.359 -34.834  1.00 96.81           C  
+ATOM    761  O   ARG A 100      37.883  -1.586 -31.932  1.00 96.81           O  
+ATOM    762  CG  ARG A 100      36.397  -0.422 -35.967  1.00 96.81           C  
+ATOM    763  CD  ARG A 100      36.383   1.032 -35.517  1.00 96.81           C  
+ATOM    764  NE  ARG A 100      37.672   1.679 -35.741  1.00 96.81           N  
+ATOM    765  NH1 ARG A 100      36.821   3.391 -37.038  1.00 96.81           N  
+ATOM    766  NH2 ARG A 100      39.068   3.289 -36.598  1.00 96.81           N  
+ATOM    767  CZ  ARG A 100      37.851   2.785 -36.459  1.00 96.81           C  
+ATOM    768  N   ALA A 101      39.142  -2.930 -33.072  1.00 94.34           N  
+ATOM    769  CA  ALA A 101      39.492  -3.717 -31.893  1.00 94.34           C  
+ATOM    770  C   ALA A 101      40.168  -2.849 -30.835  1.00 94.34           C  
+ATOM    771  CB  ALA A 101      40.399  -4.882 -32.280  1.00 94.34           C  
+ATOM    772  O   ALA A 101      39.873  -2.968 -29.644  1.00 94.34           O  
+ATOM    773  N   ASP A 102      41.044  -1.985 -31.291  1.00 94.80           N  
+ATOM    774  CA  ASP A 102      41.716  -1.060 -30.383  1.00 94.80           C  
+ATOM    775  C   ASP A 102      40.725  -0.069 -29.777  1.00 94.80           C  
+ATOM    776  CB  ASP A 102      42.832  -0.309 -31.112  1.00 94.80           C  
+ATOM    777  O   ASP A 102      40.810   0.253 -28.590  1.00 94.80           O  
+ATOM    778  CG  ASP A 102      44.039  -1.181 -31.407  1.00 94.80           C  
+ATOM    779  OD1 ASP A 102      44.248  -2.193 -30.704  1.00 94.80           O  
+ATOM    780  OD2 ASP A 102      44.791  -0.852 -32.351  1.00 94.80           O  
+ATOM    781  N   ASP A 103      39.750   0.385 -30.605  1.00 96.61           N  
+ATOM    782  CA  ASP A 103      38.716   1.293 -30.118  1.00 96.61           C  
+ATOM    783  C   ASP A 103      37.869   0.631 -29.034  1.00 96.61           C  
+ATOM    784  CB  ASP A 103      37.824   1.759 -31.271  1.00 96.61           C  
+ATOM    785  O   ASP A 103      37.509   1.270 -28.043  1.00 96.61           O  
+ATOM    786  CG  ASP A 103      38.528   2.717 -32.215  1.00 96.61           C  
+ATOM    787  OD1 ASP A 103      39.486   3.398 -31.791  1.00 96.61           O  
+ATOM    788  OD2 ASP A 103      38.119   2.794 -33.394  1.00 96.61           O  
+ATOM    789  N   ALA A 104      37.543  -0.635 -29.202  1.00 95.50           N  
+ATOM    790  CA  ALA A 104      36.771  -1.384 -28.214  1.00 95.50           C  
+ATOM    791  C   ALA A 104      37.504  -1.447 -26.878  1.00 95.50           C  
+ATOM    792  CB  ALA A 104      36.478  -2.793 -28.724  1.00 95.50           C  
+ATOM    793  O   ALA A 104      36.900  -1.248 -25.821  1.00 95.50           O  
+ATOM    794  N   ARG A 105      38.836  -1.686 -26.946  1.00 95.00           N  
+ATOM    795  CA  ARG A 105      39.644  -1.709 -25.732  1.00 95.00           C  
+ATOM    796  C   ARG A 105      39.648  -0.344 -25.051  1.00 95.00           C  
+ATOM    797  CB  ARG A 105      41.077  -2.142 -26.047  1.00 95.00           C  
+ATOM    798  O   ARG A 105      39.473  -0.251 -23.834  1.00 95.00           O  
+ATOM    799  CG  ARG A 105      41.221  -3.626 -26.346  1.00 95.00           C  
+ATOM    800  CD  ARG A 105      42.681  -4.034 -26.487  1.00 95.00           C  
+ATOM    801  NE  ARG A 105      43.118  -3.999 -27.880  1.00 95.00           N  
+ATOM    802  NH1 ARG A 105      45.276  -3.327 -27.402  1.00 95.00           N  
+ATOM    803  NH2 ARG A 105      44.632  -3.665 -29.575  1.00 95.00           N  
+ATOM    804  CZ  ARG A 105      44.341  -3.664 -28.282  1.00 95.00           C  
+ATOM    805  N   GLN A 106      39.781   0.657 -25.871  1.00 94.81           N  
+ATOM    806  CA  GLN A 106      39.785   2.022 -25.357  1.00 94.81           C  
+ATOM    807  C   GLN A 106      38.444   2.373 -24.717  1.00 94.81           C  
+ATOM    808  CB  GLN A 106      40.110   3.016 -26.473  1.00 94.81           C  
+ATOM    809  O   GLN A 106      38.399   3.072 -23.702  1.00 94.81           O  
+ATOM    810  CG  GLN A 106      41.576   3.020 -26.885  1.00 94.81           C  
+ATOM    811  CD  GLN A 106      41.872   4.017 -27.990  1.00 94.81           C  
+ATOM    812  NE2 GLN A 106      43.114   4.027 -28.462  1.00 94.81           N  
+ATOM    813  OE1 GLN A 106      40.992   4.771 -28.416  1.00 94.81           O  
+ATOM    814  N   LEU A 107      37.376   1.953 -25.348  1.00 95.25           N  
+ATOM    815  CA  LEU A 107      36.036   2.200 -24.827  1.00 95.25           C  
+ATOM    816  C   LEU A 107      35.921   1.737 -23.379  1.00 95.25           C  
+ATOM    817  CB  LEU A 107      34.987   1.491 -25.687  1.00 95.25           C  
+ATOM    818  O   LEU A 107      35.456   2.486 -22.518  1.00 95.25           O  
+ATOM    819  CG  LEU A 107      33.551   1.511 -25.159  1.00 95.25           C  
+ATOM    820  CD1 LEU A 107      32.988   2.927 -25.207  1.00 95.25           C  
+ATOM    821  CD2 LEU A 107      32.674   0.554 -25.959  1.00 95.25           C  
+ATOM    822  N   PHE A 108      36.387   0.521 -23.074  1.00 93.95           N  
+ATOM    823  CA  PHE A 108      36.257  -0.060 -21.743  1.00 93.95           C  
+ATOM    824  C   PHE A 108      37.120   0.692 -20.737  1.00 93.95           C  
+ATOM    825  CB  PHE A 108      36.645  -1.542 -21.762  1.00 93.95           C  
+ATOM    826  O   PHE A 108      36.706   0.913 -19.597  1.00 93.95           O  
+ATOM    827  CG  PHE A 108      35.593  -2.437 -22.358  1.00 93.95           C  
+ATOM    828  CD1 PHE A 108      34.438  -2.744 -21.649  1.00 93.95           C  
+ATOM    829  CD2 PHE A 108      35.759  -2.972 -23.629  1.00 93.95           C  
+ATOM    830  CE1 PHE A 108      33.462  -3.572 -22.199  1.00 93.95           C  
+ATOM    831  CE2 PHE A 108      34.788  -3.801 -24.185  1.00 93.95           C  
+ATOM    832  CZ  PHE A 108      33.641  -4.100 -23.468  1.00 93.95           C  
+ATOM    833  N   VAL A 109      38.238   1.168 -21.161  1.00 93.10           N  
+ATOM    834  CA  VAL A 109      39.146   1.912 -20.294  1.00 93.10           C  
+ATOM    835  C   VAL A 109      38.551   3.283 -19.978  1.00 93.10           C  
+ATOM    836  CB  VAL A 109      40.541   2.072 -20.937  1.00 93.10           C  
+ATOM    837  O   VAL A 109      38.445   3.666 -18.810  1.00 93.10           O  
+ATOM    838  CG1 VAL A 109      41.405   3.034 -20.122  1.00 93.10           C  
+ATOM    839  CG2 VAL A 109      41.227   0.713 -21.068  1.00 93.10           C  
+ATOM    840  N   LEU A 110      38.126   3.927 -20.989  1.00 90.99           N  
+ATOM    841  CA  LEU A 110      37.601   5.280 -20.838  1.00 90.99           C  
+ATOM    842  C   LEU A 110      36.284   5.269 -20.068  1.00 90.99           C  
+ATOM    843  CB  LEU A 110      37.399   5.933 -22.208  1.00 90.99           C  
+ATOM    844  O   LEU A 110      36.043   6.141 -19.230  1.00 90.99           O  
+ATOM    845  CG  LEU A 110      38.669   6.281 -22.986  1.00 90.99           C  
+ATOM    846  CD1 LEU A 110      38.316   6.746 -24.395  1.00 90.99           C  
+ATOM    847  CD2 LEU A 110      39.473   7.348 -22.251  1.00 90.99           C  
+ATOM    848  N   ALA A 111      35.455   4.312 -20.389  1.00 89.26           N  
+ATOM    849  CA  ALA A 111      34.174   4.203 -19.695  1.00 89.26           C  
+ATOM    850  C   ALA A 111      34.378   3.918 -18.209  1.00 89.26           C  
+ATOM    851  CB  ALA A 111      33.316   3.112 -20.330  1.00 89.26           C  
+ATOM    852  O   ALA A 111      33.637   4.428 -17.366  1.00 89.26           O  
+ATOM    853  N   GLY A 112      35.409   3.093 -17.897  1.00 84.89           N  
+ATOM    854  CA  GLY A 112      35.743   2.761 -16.521  1.00 84.89           C  
+ATOM    855  C   GLY A 112      36.289   3.941 -15.738  1.00 84.89           C  
+ATOM    856  O   GLY A 112      36.068   4.046 -14.530  1.00 84.89           O  
+ATOM    857  N   ALA A 113      36.963   4.828 -16.451  1.00 82.21           N  
+ATOM    858  CA  ALA A 113      37.611   5.987 -15.843  1.00 82.21           C  
+ATOM    859  C   ALA A 113      36.672   7.191 -15.821  1.00 82.21           C  
+ATOM    860  CB  ALA A 113      38.896   6.332 -16.591  1.00 82.21           C  
+ATOM    861  O   ALA A 113      36.925   8.170 -15.115  1.00 82.21           O  
+ATOM    862  N   ALA A 114      35.643   7.098 -16.586  1.00 77.11           N  
+ATOM    863  CA  ALA A 114      34.734   8.233 -16.725  1.00 77.11           C  
+ATOM    864  C   ALA A 114      33.915   8.438 -15.453  1.00 77.11           C  
+ATOM    865  CB  ALA A 114      33.809   8.030 -17.922  1.00 77.11           C  
+ATOM    866  O   ALA A 114      33.505   7.469 -14.809  1.00 77.11           O  
+ATOM    867  N   GLU A 115      33.989   9.680 -14.933  1.00 73.48           N  
+ATOM    868  CA  GLU A 115      33.102  10.050 -13.835  1.00 73.48           C  
+ATOM    869  C   GLU A 115      31.637   9.890 -14.232  1.00 73.48           C  
+ATOM    870  CB  GLU A 115      33.372  11.488 -13.386  1.00 73.48           C  
+ATOM    871  O   GLU A 115      31.272  10.124 -15.386  1.00 73.48           O  
+ATOM    872  CG  GLU A 115      34.601  11.636 -12.501  1.00 73.48           C  
+ATOM    873  CD  GLU A 115      34.826  13.060 -12.020  1.00 73.48           C  
+ATOM    874  OE1 GLU A 115      35.841  13.315 -11.333  1.00 73.48           O  
+ATOM    875  OE2 GLU A 115      33.981  13.928 -12.332  1.00 73.48           O  
+ATOM    876  N   GLU A 116      30.836   9.264 -13.315  1.00 67.59           N  
+ATOM    877  CA  GLU A 116      29.407   9.083 -13.549  1.00 67.59           C  
+ATOM    878  C   GLU A 116      28.756  10.380 -14.020  1.00 67.59           C  
+ATOM    879  CB  GLU A 116      28.714   8.578 -12.280  1.00 67.59           C  
+ATOM    880  O   GLU A 116      28.954  11.436 -13.415  1.00 67.59           O  
+ATOM    881  CG  GLU A 116      28.705   7.063 -12.146  1.00 67.59           C  
+ATOM    882  CD  GLU A 116      27.949   6.573 -10.922  1.00 67.59           C  
+ATOM    883  OE1 GLU A 116      27.931   5.347 -10.669  1.00 67.59           O  
+ATOM    884  OE2 GLU A 116      27.368   7.422 -10.209  1.00 67.59           O  
+ATOM    885  N   GLY A 117      28.292  10.434 -15.284  1.00 67.35           N  
+ATOM    886  CA  GLY A 117      27.499  11.570 -15.727  1.00 67.35           C  
+ATOM    887  C   GLY A 117      28.248  12.488 -16.674  1.00 67.35           C  
+ATOM    888  O   GLY A 117      27.807  13.608 -16.939  1.00 67.35           O  
+ATOM    889  N   PHE A 118      29.430  12.029 -17.189  1.00 81.91           N  
+ATOM    890  CA  PHE A 118      30.206  12.878 -18.084  1.00 81.91           C  
+ATOM    891  C   PHE A 118      30.585  12.124 -19.353  1.00 81.91           C  
+ATOM    892  CB  PHE A 118      31.467  13.391 -17.382  1.00 81.91           C  
+ATOM    893  O   PHE A 118      30.991  10.962 -19.293  1.00 81.91           O  
+ATOM    894  CG  PHE A 118      31.217  14.552 -16.457  1.00 81.91           C  
+ATOM    895  CD1 PHE A 118      31.286  15.859 -16.924  1.00 81.91           C  
+ATOM    896  CD2 PHE A 118      30.913  14.335 -15.119  1.00 81.91           C  
+ATOM    897  CE1 PHE A 118      31.055  16.934 -16.070  1.00 81.91           C  
+ATOM    898  CE2 PHE A 118      30.681  15.405 -14.260  1.00 81.91           C  
+ATOM    899  CZ  PHE A 118      30.753  16.704 -14.737  1.00 81.91           C  
+ATOM    900  N   MET A 119      30.372  12.769 -20.563  1.00 88.47           N  
+ATOM    901  CA  MET A 119      30.795  12.248 -21.860  1.00 88.47           C  
+ATOM    902  C   MET A 119      31.933  13.083 -22.437  1.00 88.47           C  
+ATOM    903  CB  MET A 119      29.619  12.219 -22.838  1.00 88.47           C  
+ATOM    904  O   MET A 119      31.708  14.190 -22.929  1.00 88.47           O  
+ATOM    905  CG  MET A 119      29.960  11.611 -24.189  1.00 88.47           C  
+ATOM    906  SD  MET A 119      29.881   9.778 -24.175  1.00 88.47           S  
+ATOM    907  CE  MET A 119      28.232   9.534 -23.459  1.00 88.47           C  
+ATOM    908  N   THR A 120      33.196  12.486 -22.388  1.00 91.05           N  
+ATOM    909  CA  THR A 120      34.336  13.218 -22.928  1.00 91.05           C  
+ATOM    910  C   THR A 120      34.354  13.145 -24.452  1.00 91.05           C  
+ATOM    911  CB  THR A 120      35.664  12.674 -22.370  1.00 91.05           C  
+ATOM    912  O   THR A 120      33.784  12.224 -25.041  1.00 91.05           O  
+ATOM    913  CG2 THR A 120      35.688  12.738 -20.847  1.00 91.05           C  
+ATOM    914  OG1 THR A 120      35.826  11.311 -22.782  1.00 91.05           O  
+ATOM    915  N   ALA A 121      34.953  14.132 -25.123  1.00 91.45           N  
+ATOM    916  CA  ALA A 121      35.048  14.168 -26.580  1.00 91.45           C  
+ATOM    917  C   ALA A 121      35.762  12.930 -27.114  1.00 91.45           C  
+ATOM    918  CB  ALA A 121      35.771  15.433 -27.035  1.00 91.45           C  
+ATOM    919  O   ALA A 121      35.390  12.394 -28.161  1.00 91.45           O  
+ATOM    920  N   GLU A 122      36.721  12.539 -26.315  1.00 93.49           N  
+ATOM    921  CA  GLU A 122      37.482  11.352 -26.692  1.00 93.49           C  
+ATOM    922  C   GLU A 122      36.610  10.101 -26.651  1.00 93.49           C  
+ATOM    923  CB  GLU A 122      38.696  11.177 -25.776  1.00 93.49           C  
+ATOM    924  O   GLU A 122      36.633   9.291 -27.580  1.00 93.49           O  
+ATOM    925  CG  GLU A 122      39.638  10.064 -26.209  1.00 93.49           C  
+ATOM    926  CD  GLU A 122      40.843   9.907 -25.294  1.00 93.49           C  
+ATOM    927  OE1 GLU A 122      41.731   9.078 -25.597  1.00 93.49           O  
+ATOM    928  OE2 GLU A 122      40.898  10.618 -24.266  1.00 93.49           O  
+ATOM    929  N   LEU A 123      35.895   9.916 -25.614  1.00 94.55           N  
+ATOM    930  CA  LEU A 123      34.990   8.781 -25.471  1.00 94.55           C  
+ATOM    931  C   LEU A 123      33.920   8.798 -26.558  1.00 94.55           C  
+ATOM    932  CB  LEU A 123      34.330   8.792 -24.090  1.00 94.55           C  
+ATOM    933  O   LEU A 123      33.655   7.773 -27.191  1.00 94.55           O  
+ATOM    934  CG  LEU A 123      33.340   7.662 -23.802  1.00 94.55           C  
+ATOM    935  CD1 LEU A 123      34.012   6.306 -23.999  1.00 94.55           C  
+ATOM    936  CD2 LEU A 123      32.781   7.787 -22.389  1.00 94.55           C  
+ATOM    937  N   ALA A 124      33.347   9.915 -26.809  1.00 95.69           N  
+ATOM    938  CA  ALA A 124      32.330  10.063 -27.847  1.00 95.69           C  
+ATOM    939  C   ALA A 124      32.887   9.692 -29.218  1.00 95.69           C  
+ATOM    940  CB  ALA A 124      31.790  11.491 -27.863  1.00 95.69           C  
+ATOM    941  O   ALA A 124      32.202   9.058 -30.023  1.00 95.69           O  
+ATOM    942  N   GLY A 125      34.143  10.116 -29.449  1.00 96.51           N  
+ATOM    943  CA  GLY A 125      34.794   9.782 -30.706  1.00 96.51           C  
+ATOM    944  C   GLY A 125      34.942   8.287 -30.922  1.00 96.51           C  
+ATOM    945  O   GLY A 125      34.673   7.783 -32.014  1.00 96.51           O  
+ATOM    946  N   VAL A 126      35.286   7.628 -29.863  1.00 97.14           N  
+ATOM    947  CA  VAL A 126      35.466   6.181 -29.923  1.00 97.14           C  
+ATOM    948  C   VAL A 126      34.121   5.503 -30.174  1.00 97.14           C  
+ATOM    949  CB  VAL A 126      36.104   5.635 -28.626  1.00 97.14           C  
+ATOM    950  O   VAL A 126      34.018   4.611 -31.019  1.00 97.14           O  
+ATOM    951  CG1 VAL A 126      36.043   4.109 -28.595  1.00 97.14           C  
+ATOM    952  CG2 VAL A 126      37.548   6.118 -28.498  1.00 97.14           C  
+ATOM    953  N   ILE A 127      33.124   5.895 -29.494  1.00 97.63           N  
+ATOM    954  CA  ILE A 127      31.792   5.316 -29.631  1.00 97.63           C  
+ATOM    955  C   ILE A 127      31.286   5.518 -31.058  1.00 97.63           C  
+ATOM    956  CB  ILE A 127      30.801   5.933 -28.619  1.00 97.63           C  
+ATOM    957  O   ILE A 127      30.722   4.600 -31.659  1.00 97.63           O  
+ATOM    958  CG1 ILE A 127      31.189   5.544 -27.187  1.00 97.63           C  
+ATOM    959  CG2 ILE A 127      29.367   5.499 -28.935  1.00 97.63           C  
+ATOM    960  CD1 ILE A 127      30.341   6.211 -26.113  1.00 97.63           C  
+ATOM    961  N   LYS A 128      31.544   6.670 -31.557  1.00 97.64           N  
+ATOM    962  CA  LYS A 128      31.107   7.009 -32.908  1.00 97.64           C  
+ATOM    963  C   LYS A 128      31.740   6.081 -33.940  1.00 97.64           C  
+ATOM    964  CB  LYS A 128      31.446   8.464 -33.233  1.00 97.64           C  
+ATOM    965  O   LYS A 128      31.053   5.568 -34.826  1.00 97.64           O  
+ATOM    966  CG  LYS A 128      30.847   8.963 -34.540  1.00 97.64           C  
+ATOM    967  CD  LYS A 128      31.122  10.446 -34.750  1.00 97.64           C  
+ATOM    968  CE  LYS A 128      30.484  10.957 -36.035  1.00 97.64           C  
+ATOM    969  NZ  LYS A 128      30.713  12.420 -36.224  1.00 97.64           N  
+ATOM    970  N   ARG A 129      32.995   5.880 -33.887  1.00 97.84           N  
+ATOM    971  CA  ARG A 129      33.702   5.010 -34.821  1.00 97.84           C  
+ATOM    972  C   ARG A 129      33.227   3.567 -34.693  1.00 97.84           C  
+ATOM    973  CB  ARG A 129      35.213   5.086 -34.589  1.00 97.84           C  
+ATOM    974  O   ARG A 129      33.031   2.881 -35.699  1.00 97.84           O  
+ATOM    975  CG  ARG A 129      35.835   6.409 -35.008  1.00 97.84           C  
+ATOM    976  CD  ARG A 129      37.353   6.322 -35.077  1.00 97.84           C  
+ATOM    977  NE  ARG A 129      37.941   6.102 -33.759  1.00 97.84           N  
+ATOM    978  NH1 ARG A 129      38.005   8.339 -33.187  1.00 97.84           N  
+ATOM    979  NH2 ARG A 129      38.770   6.754 -31.719  1.00 97.84           N  
+ATOM    980  CZ  ARG A 129      38.237   7.066 -32.891  1.00 97.84           C  
+ATOM    981  N   LEU A 130      33.018   3.179 -33.469  1.00 98.12           N  
+ATOM    982  CA  LEU A 130      32.547   1.818 -33.239  1.00 98.12           C  
+ATOM    983  C   LEU A 130      31.144   1.626 -33.806  1.00 98.12           C  
+ATOM    984  CB  LEU A 130      32.555   1.493 -31.743  1.00 98.12           C  
+ATOM    985  O   LEU A 130      30.861   0.608 -34.441  1.00 98.12           O  
+ATOM    986  CG  LEU A 130      33.925   1.242 -31.111  1.00 98.12           C  
+ATOM    987  CD1 LEU A 130      33.811   1.223 -29.591  1.00 98.12           C  
+ATOM    988  CD2 LEU A 130      34.519  -0.065 -31.625  1.00 98.12           C  
+ATOM    989  N   TRP A 131      30.248   2.558 -33.553  1.00 98.02           N  
+ATOM    990  CA  TRP A 131      28.857   2.454 -33.982  1.00 98.02           C  
+ATOM    991  C   TRP A 131      28.758   2.417 -35.503  1.00 98.02           C  
+ATOM    992  CB  TRP A 131      28.036   3.624 -33.433  1.00 98.02           C  
+ATOM    993  O   TRP A 131      27.886   1.745 -36.059  1.00 98.02           O  
+ATOM    994  CG  TRP A 131      26.587   3.584 -33.817  1.00 98.02           C  
+ATOM    995  CD1 TRP A 131      25.869   4.573 -34.429  1.00 98.02           C  
+ATOM    996  CD2 TRP A 131      25.678   2.498 -33.609  1.00 98.02           C  
+ATOM    997  CE2 TRP A 131      24.424   2.899 -34.120  1.00 98.02           C  
+ATOM    998  CE3 TRP A 131      25.803   1.224 -33.039  1.00 98.02           C  
+ATOM    999  NE1 TRP A 131      24.567   4.168 -34.614  1.00 98.02           N  
+ATOM   1000  CH2 TRP A 131      23.451   0.828 -33.517  1.00 98.02           C  
+ATOM   1001  CZ2 TRP A 131      23.301   2.069 -34.079  1.00 98.02           C  
+ATOM   1002  CZ3 TRP A 131      24.684   0.400 -32.999  1.00 98.02           C  
+ATOM   1003  N   LYS A 132      29.689   3.006 -36.270  1.00 97.66           N  
+ATOM   1004  CA  LYS A 132      29.695   3.047 -37.730  1.00 97.66           C  
+ATOM   1005  C   LYS A 132      30.234   1.745 -38.314  1.00 97.66           C  
+ATOM   1006  CB  LYS A 132      30.525   4.230 -38.230  1.00 97.66           C  
+ATOM   1007  O   LYS A 132      30.044   1.465 -39.500  1.00 97.66           O  
+ATOM   1008  CG  LYS A 132      29.832   5.577 -38.089  1.00 97.66           C  
+ATOM   1009  CD  LYS A 132      30.656   6.698 -38.709  1.00 97.66           C  
+ATOM   1010  CE  LYS A 132      29.960   8.046 -38.575  1.00 97.66           C  
+ATOM   1011  NZ  LYS A 132      30.780   9.153 -39.150  1.00 97.66           N  
+ATOM   1012  N   ASP A 133      30.856   0.983 -37.492  1.00 98.43           N  
+ATOM   1013  CA  ASP A 133      31.448  -0.275 -37.938  1.00 98.43           C  
+ATOM   1014  C   ASP A 133      30.370  -1.272 -38.356  1.00 98.43           C  
+ATOM   1015  CB  ASP A 133      32.323  -0.877 -36.836  1.00 98.43           C  
+ATOM   1016  O   ASP A 133      29.351  -1.413 -37.677  1.00 98.43           O  
+ATOM   1017  CG  ASP A 133      32.953  -2.199 -37.236  1.00 98.43           C  
+ATOM   1018  OD1 ASP A 133      32.469  -3.264 -36.795  1.00 98.43           O  
+ATOM   1019  OD2 ASP A 133      33.945  -2.176 -37.996  1.00 98.43           O  
+ATOM   1020  N   SER A 134      30.641  -1.988 -39.502  1.00 97.98           N  
+ATOM   1021  CA  SER A 134      29.664  -2.911 -40.070  1.00 97.98           C  
+ATOM   1022  C   SER A 134      29.455  -4.121 -39.165  1.00 97.98           C  
+ATOM   1023  CB  SER A 134      30.108  -3.374 -41.458  1.00 97.98           C  
+ATOM   1024  O   SER A 134      28.345  -4.647 -39.070  1.00 97.98           O  
+ATOM   1025  OG  SER A 134      31.377  -4.003 -41.398  1.00 97.98           O  
+ATOM   1026  N   GLY A 135      30.552  -4.608 -38.451  1.00 97.90           N  
+ATOM   1027  CA  GLY A 135      30.413  -5.694 -37.495  1.00 97.90           C  
+ATOM   1028  C   GLY A 135      29.533  -5.339 -36.311  1.00 97.90           C  
+ATOM   1029  O   GLY A 135      28.685  -6.134 -35.902  1.00 97.90           O  
+ATOM   1030  N   VAL A 136      29.748  -4.116 -35.805  1.00 98.16           N  
+ATOM   1031  CA  VAL A 136      28.949  -3.632 -34.685  1.00 98.16           C  
+ATOM   1032  C   VAL A 136      27.485  -3.520 -35.104  1.00 98.16           C  
+ATOM   1033  CB  VAL A 136      29.462  -2.269 -34.168  1.00 98.16           C  
+ATOM   1034  O   VAL A 136      26.588  -3.942 -34.370  1.00 98.16           O  
+ATOM   1035  CG1 VAL A 136      28.502  -1.688 -33.132  1.00 98.16           C  
+ATOM   1036  CG2 VAL A 136      30.864  -2.416 -33.579  1.00 98.16           C  
+ATOM   1037  N   GLN A 137      27.192  -2.999 -36.311  1.00 98.09           N  
+ATOM   1038  CA  GLN A 137      25.833  -2.878 -36.827  1.00 98.09           C  
+ATOM   1039  C   GLN A 137      25.189  -4.249 -37.011  1.00 98.09           C  
+ATOM   1040  CB  GLN A 137      25.827  -2.113 -38.152  1.00 98.09           C  
+ATOM   1041  O   GLN A 137      24.004  -4.428 -36.723  1.00 98.09           O  
+ATOM   1042  CG  GLN A 137      26.132  -0.628 -38.006  1.00 98.09           C  
+ATOM   1043  CD  GLN A 137      25.089   0.108 -37.186  1.00 98.09           C  
+ATOM   1044  NE2 GLN A 137      25.541   0.860 -36.189  1.00 98.09           N  
+ATOM   1045  OE1 GLN A 137      23.886   0.001 -37.447  1.00 98.09           O  
+ATOM   1046  N   ALA A 138      26.023  -5.191 -37.450  1.00 96.96           N  
+ATOM   1047  CA  ALA A 138      25.537  -6.559 -37.615  1.00 96.96           C  
+ATOM   1048  C   ALA A 138      25.121  -7.159 -36.275  1.00 96.96           C  
+ATOM   1049  CB  ALA A 138      26.605  -7.427 -38.274  1.00 96.96           C  
+ATOM   1050  O   ALA A 138      24.087  -7.825 -36.180  1.00 96.96           O  
+ATOM   1051  N   CYS A 139      25.920  -6.912 -35.258  1.00 97.66           N  
+ATOM   1052  CA  CYS A 139      25.610  -7.401 -33.920  1.00 97.66           C  
+ATOM   1053  C   CYS A 139      24.339  -6.753 -33.383  1.00 97.66           C  
+ATOM   1054  CB  CYS A 139      26.774  -7.128 -32.967  1.00 97.66           C  
+ATOM   1055  O   CYS A 139      23.505  -7.425 -32.772  1.00 97.66           O  
+ATOM   1056  SG  CYS A 139      26.557  -7.854 -31.327  1.00 97.66           S  
+ATOM   1057  N   PHE A 140      24.193  -5.484 -33.578  1.00 96.65           N  
+ATOM   1058  CA  PHE A 140      23.001  -4.751 -33.168  1.00 96.65           C  
+ATOM   1059  C   PHE A 140      21.752  -5.351 -33.802  1.00 96.65           C  
+ATOM   1060  CB  PHE A 140      23.122  -3.271 -33.545  1.00 96.65           C  
+ATOM   1061  O   PHE A 140      20.716  -5.478 -33.146  1.00 96.65           O  
+ATOM   1062  CG  PHE A 140      21.880  -2.469 -33.263  1.00 96.65           C  
+ATOM   1063  CD1 PHE A 140      21.054  -2.052 -34.299  1.00 96.65           C  
+ATOM   1064  CD2 PHE A 140      21.538  -2.133 -31.959  1.00 96.65           C  
+ATOM   1065  CE1 PHE A 140      19.904  -1.310 -34.041  1.00 96.65           C  
+ATOM   1066  CE2 PHE A 140      20.390  -1.391 -31.693  1.00 96.65           C  
+ATOM   1067  CZ  PHE A 140      19.575  -0.980 -32.735  1.00 96.65           C  
+ATOM   1068  N   ASN A 141      21.803  -5.777 -35.046  1.00 94.48           N  
+ATOM   1069  CA  ASN A 141      20.677  -6.359 -35.768  1.00 94.48           C  
+ATOM   1070  C   ASN A 141      20.262  -7.702 -35.174  1.00 94.48           C  
+ATOM   1071  CB  ASN A 141      21.014  -6.516 -37.253  1.00 94.48           C  
+ATOM   1072  O   ASN A 141      19.152  -8.177 -35.417  1.00 94.48           O  
+ATOM   1073  CG  ASN A 141      21.018  -5.194 -37.994  1.00 94.48           C  
+ATOM   1074  ND2 ASN A 141      21.804  -5.115 -39.061  1.00 94.48           N  
+ATOM   1075  OD1 ASN A 141      20.321  -4.251 -37.610  1.00 94.48           O  
+ATOM   1076  N   ARG A 142      21.126  -8.276 -34.310  1.00 94.43           N  
+ATOM   1077  CA  ARG A 142      20.835  -9.530 -33.622  1.00 94.43           C  
+ATOM   1078  C   ARG A 142      20.556  -9.292 -32.142  1.00 94.43           C  
+ATOM   1079  CB  ARG A 142      21.996 -10.514 -33.784  1.00 94.43           C  
+ATOM   1080  O   ARG A 142      20.925 -10.108 -31.296  1.00 94.43           O  
+ATOM   1081  CG  ARG A 142      22.213 -10.980 -35.215  1.00 94.43           C  
+ATOM   1082  CD  ARG A 142      23.420 -11.901 -35.331  1.00 94.43           C  
+ATOM   1083  NE  ARG A 142      23.219 -13.148 -34.600  1.00 94.43           N  
+ATOM   1084  NH1 ARG A 142      25.335 -13.976 -35.019  1.00 94.43           N  
+ATOM   1085  NH2 ARG A 142      23.844 -15.201 -33.781  1.00 94.43           N  
+ATOM   1086  CZ  ARG A 142      24.133 -14.106 -34.468  1.00 94.43           C  
+ATOM   1087  N   SER A 143      20.019  -8.123 -31.837  1.00 93.30           N  
+ATOM   1088  CA  SER A 143      19.851  -7.656 -30.464  1.00 93.30           C  
+ATOM   1089  C   SER A 143      18.831  -8.505 -29.713  1.00 93.30           C  
+ATOM   1090  CB  SER A 143      19.420  -6.190 -30.446  1.00 93.30           C  
+ATOM   1091  O   SER A 143      18.758  -8.452 -28.483  1.00 93.30           O  
+ATOM   1092  OG  SER A 143      18.206  -6.013 -31.155  1.00 93.30           O  
+ATOM   1093  N   ARG A 144      18.181  -9.437 -30.399  1.00 90.91           N  
+ATOM   1094  CA  ARG A 144      17.245 -10.336 -29.731  1.00 90.91           C  
+ATOM   1095  C   ARG A 144      17.985 -11.416 -28.950  1.00 90.91           C  
+ATOM   1096  CB  ARG A 144      16.299 -10.980 -30.748  1.00 90.91           C  
+ATOM   1097  O   ARG A 144      17.403 -12.073 -28.084  1.00 90.91           O  
+ATOM   1098  CG  ARG A 144      16.985 -11.944 -31.702  1.00 90.91           C  
+ATOM   1099  CD  ARG A 144      15.993 -12.596 -32.655  1.00 90.91           C  
+ATOM   1100  NE  ARG A 144      16.654 -13.518 -33.574  1.00 90.91           N  
+ATOM   1101  NH1 ARG A 144      14.737 -14.051 -34.747  1.00 90.91           N  
+ATOM   1102  NH2 ARG A 144      16.741 -15.001 -35.326  1.00 90.91           N  
+ATOM   1103  CZ  ARG A 144      16.042 -14.188 -34.547  1.00 90.91           C  
+ATOM   1104  N   GLU A 145      19.252 -11.610 -29.206  1.00 92.96           N  
+ATOM   1105  CA  GLU A 145      20.044 -12.695 -28.636  1.00 92.96           C  
+ATOM   1106  C   GLU A 145      20.724 -12.261 -27.340  1.00 92.96           C  
+ATOM   1107  CB  GLU A 145      21.091 -13.182 -29.641  1.00 92.96           C  
+ATOM   1108  O   GLU A 145      21.368 -13.070 -26.669  1.00 92.96           O  
+ATOM   1109  CG  GLU A 145      20.495 -13.809 -30.894  1.00 92.96           C  
+ATOM   1110  CD  GLU A 145      21.545 -14.269 -31.892  1.00 92.96           C  
+ATOM   1111  OE1 GLU A 145      21.454 -13.897 -33.084  1.00 92.96           O  
+ATOM   1112  OE2 GLU A 145      22.466 -15.009 -31.479  1.00 92.96           O  
+ATOM   1113  N   TYR A 146      20.597 -10.991 -27.025  1.00 94.25           N  
+ATOM   1114  CA  TYR A 146      21.142 -10.487 -25.769  1.00 94.25           C  
+ATOM   1115  C   TYR A 146      20.315  -9.319 -25.246  1.00 94.25           C  
+ATOM   1116  CB  TYR A 146      22.600 -10.054 -25.951  1.00 94.25           C  
+ATOM   1117  O   TYR A 146      19.403  -8.842 -25.925  1.00 94.25           O  
+ATOM   1118  CG  TYR A 146      22.791  -8.996 -27.011  1.00 94.25           C  
+ATOM   1119  CD1 TYR A 146      22.882  -9.341 -28.358  1.00 94.25           C  
+ATOM   1120  CD2 TYR A 146      22.883  -7.652 -26.668  1.00 94.25           C  
+ATOM   1121  CE1 TYR A 146      23.060  -8.370 -29.338  1.00 94.25           C  
+ATOM   1122  CE2 TYR A 146      23.061  -6.672 -27.640  1.00 94.25           C  
+ATOM   1123  OH  TYR A 146      23.324  -6.075 -29.936  1.00 94.25           O  
+ATOM   1124  CZ  TYR A 146      23.148  -7.040 -28.970  1.00 94.25           C  
+ATOM   1125  N   GLN A 147      20.622  -8.830 -23.987  1.00 93.04           N  
+ATOM   1126  CA  GLN A 147      19.842  -7.771 -23.356  1.00 93.04           C  
+ATOM   1127  C   GLN A 147      20.343  -6.393 -23.778  1.00 93.04           C  
+ATOM   1128  CB  GLN A 147      19.889  -7.903 -21.833  1.00 93.04           C  
+ATOM   1129  O   GLN A 147      21.477  -6.019 -23.473  1.00 93.04           O  
+ATOM   1130  CG  GLN A 147      19.359  -9.233 -21.314  1.00 93.04           C  
+ATOM   1131  CD  GLN A 147      17.899  -9.457 -21.658  1.00 93.04           C  
+ATOM   1132  NE2 GLN A 147      17.556 -10.691 -22.012  1.00 93.04           N  
+ATOM   1133  OE1 GLN A 147      17.085  -8.529 -21.606  1.00 93.04           O  
+ATOM   1134  N   LEU A 148      19.469  -5.674 -24.488  1.00 94.80           N  
+ATOM   1135  CA  LEU A 148      19.835  -4.344 -24.966  1.00 94.80           C  
+ATOM   1136  C   LEU A 148      18.708  -3.348 -24.715  1.00 94.80           C  
+ATOM   1137  CB  LEU A 148      20.173  -4.385 -26.458  1.00 94.80           C  
+ATOM   1138  O   LEU A 148      17.531  -3.682 -24.875  1.00 94.80           O  
+ATOM   1139  CG  LEU A 148      20.646  -3.072 -27.082  1.00 94.80           C  
+ATOM   1140  CD1 LEU A 148      21.993  -2.660 -26.495  1.00 94.80           C  
+ATOM   1141  CD2 LEU A 148      20.736  -3.201 -28.599  1.00 94.80           C  
+ATOM   1142  N   ASN A 149      19.120  -2.172 -24.337  1.00 92.35           N  
+ATOM   1143  CA  ASN A 149      18.175  -1.073 -24.163  1.00 92.35           C  
+ATOM   1144  C   ASN A 149      17.473  -0.725 -25.472  1.00 92.35           C  
+ATOM   1145  CB  ASN A 149      18.883   0.159 -23.596  1.00 92.35           C  
+ATOM   1146  O   ASN A 149      18.121  -0.578 -26.509  1.00 92.35           O  
+ATOM   1147  CG  ASN A 149      17.918   1.265 -23.218  1.00 92.35           C  
+ATOM   1148  ND2 ASN A 149      18.269   2.035 -22.195  1.00 92.35           N  
+ATOM   1149  OD1 ASN A 149      16.864   1.425 -23.839  1.00 92.35           O  
+ATOM   1150  N   ASP A 150      16.121  -0.481 -25.434  1.00 91.92           N  
+ATOM   1151  CA  ASP A 150      15.334  -0.266 -26.644  1.00 91.92           C  
+ATOM   1152  C   ASP A 150      15.667   1.080 -27.283  1.00 91.92           C  
+ATOM   1153  CB  ASP A 150      13.838  -0.345 -26.332  1.00 91.92           C  
+ATOM   1154  O   ASP A 150      15.428   1.283 -28.475  1.00 91.92           O  
+ATOM   1155  CG  ASP A 150      13.395  -1.730 -25.896  1.00 91.92           C  
+ATOM   1156  OD1 ASP A 150      14.114  -2.715 -26.171  1.00 91.92           O  
+ATOM   1157  OD2 ASP A 150      12.317  -1.839 -25.273  1.00 91.92           O  
+ATOM   1158  N   SER A 151      16.284   1.986 -26.468  1.00 95.14           N  
+ATOM   1159  CA  SER A 151      16.567   3.334 -26.950  1.00 95.14           C  
+ATOM   1160  C   SER A 151      17.998   3.449 -27.465  1.00 95.14           C  
+ATOM   1161  CB  SER A 151      16.331   4.361 -25.841  1.00 95.14           C  
+ATOM   1162  O   SER A 151      18.468   4.547 -27.767  1.00 95.14           O  
+ATOM   1163  OG  SER A 151      14.965   4.391 -25.466  1.00 95.14           O  
+ATOM   1164  N   ALA A 152      18.685   2.264 -27.566  1.00 96.37           N  
+ATOM   1165  CA  ALA A 152      20.093   2.250 -27.954  1.00 96.37           C  
+ATOM   1166  C   ALA A 152      20.302   2.961 -29.289  1.00 96.37           C  
+ATOM   1167  CB  ALA A 152      20.610   0.816 -28.033  1.00 96.37           C  
+ATOM   1168  O   ALA A 152      21.142   3.857 -29.398  1.00 96.37           O  
+ATOM   1169  N   ALA A 153      19.500   2.604 -30.273  1.00 95.75           N  
+ATOM   1170  CA  ALA A 153      19.651   3.174 -31.609  1.00 95.75           C  
+ATOM   1171  C   ALA A 153      19.385   4.677 -31.598  1.00 95.75           C  
+ATOM   1172  CB  ALA A 153      18.713   2.478 -32.593  1.00 95.75           C  
+ATOM   1173  O   ALA A 153      20.101   5.445 -32.245  1.00 95.75           O  
+ATOM   1174  N   TYR A 154      18.466   5.107 -30.863  1.00 96.43           N  
+ATOM   1175  CA  TYR A 154      18.108   6.516 -30.746  1.00 96.43           C  
+ATOM   1176  C   TYR A 154      19.293   7.341 -30.258  1.00 96.43           C  
+ATOM   1177  CB  TYR A 154      16.921   6.693 -29.795  1.00 96.43           C  
+ATOM   1178  O   TYR A 154      19.658   8.342 -30.878  1.00 96.43           O  
+ATOM   1179  CG  TYR A 154      16.612   8.134 -29.472  1.00 96.43           C  
+ATOM   1180  CD1 TYR A 154      17.098   8.728 -28.309  1.00 96.43           C  
+ATOM   1181  CD2 TYR A 154      15.831   8.905 -30.327  1.00 96.43           C  
+ATOM   1182  CE1 TYR A 154      16.814  10.056 -28.007  1.00 96.43           C  
+ATOM   1183  CE2 TYR A 154      15.540  10.233 -30.034  1.00 96.43           C  
+ATOM   1184  OH  TYR A 154      15.751  12.114 -28.579  1.00 96.43           O  
+ATOM   1185  CZ  TYR A 154      16.036  10.799 -28.874  1.00 96.43           C  
+ATOM   1186  N   TYR A 155      19.942   6.904 -29.215  1.00 97.20           N  
+ATOM   1187  CA  TYR A 155      21.043   7.655 -28.624  1.00 97.20           C  
+ATOM   1188  C   TYR A 155      22.292   7.569 -29.494  1.00 97.20           C  
+ATOM   1189  CB  TYR A 155      21.352   7.138 -27.216  1.00 97.20           C  
+ATOM   1190  O   TYR A 155      22.962   8.577 -29.731  1.00 97.20           O  
+ATOM   1191  CG  TYR A 155      20.296   7.489 -26.195  1.00 97.20           C  
+ATOM   1192  CD1 TYR A 155      19.776   8.779 -26.118  1.00 97.20           C  
+ATOM   1193  CD2 TYR A 155      19.817   6.532 -25.307  1.00 97.20           C  
+ATOM   1194  CE1 TYR A 155      18.805   9.107 -25.178  1.00 97.20           C  
+ATOM   1195  CE2 TYR A 155      18.846   6.849 -24.363  1.00 97.20           C  
+ATOM   1196  OH  TYR A 155      17.385   8.457 -23.374  1.00 97.20           O  
+ATOM   1197  CZ  TYR A 155      18.346   8.137 -24.307  1.00 97.20           C  
+ATOM   1198  N   LEU A 156      22.582   6.375 -29.981  1.00 97.64           N  
+ATOM   1199  CA  LEU A 156      23.823   6.167 -30.720  1.00 97.64           C  
+ATOM   1200  C   LEU A 156      23.775   6.871 -32.072  1.00 97.64           C  
+ATOM   1201  CB  LEU A 156      24.084   4.672 -30.919  1.00 97.64           C  
+ATOM   1202  O   LEU A 156      24.794   7.374 -32.551  1.00 97.64           O  
+ATOM   1203  CG  LEU A 156      24.449   3.875 -29.665  1.00 97.64           C  
+ATOM   1204  CD1 LEU A 156      24.381   2.378 -29.951  1.00 97.64           C  
+ATOM   1205  CD2 LEU A 156      25.836   4.267 -29.167  1.00 97.64           C  
+ATOM   1206  N   ASN A 157      22.568   6.992 -32.693  1.00 97.36           N  
+ATOM   1207  CA  ASN A 157      22.411   7.696 -33.962  1.00 97.36           C  
+ATOM   1208  C   ASN A 157      22.575   9.203 -33.791  1.00 97.36           C  
+ATOM   1209  CB  ASN A 157      21.052   7.377 -34.588  1.00 97.36           C  
+ATOM   1210  O   ASN A 157      22.994   9.896 -34.720  1.00 97.36           O  
+ATOM   1211  CG  ASN A 157      20.984   5.972 -35.153  1.00 97.36           C  
+ATOM   1212  ND2 ASN A 157      19.774   5.441 -35.277  1.00 97.36           N  
+ATOM   1213  OD1 ASN A 157      22.011   5.369 -35.475  1.00 97.36           O  
+ATOM   1214  N   ASP A 158      22.307   9.664 -32.606  1.00 96.38           N  
+ATOM   1215  CA  ASP A 158      22.362  11.102 -32.362  1.00 96.38           C  
+ATOM   1216  C   ASP A 158      23.506  11.455 -31.413  1.00 96.38           C  
+ATOM   1217  CB  ASP A 158      21.033  11.601 -31.791  1.00 96.38           C  
+ATOM   1218  O   ASP A 158      23.400  12.399 -30.629  1.00 96.38           O  
+ATOM   1219  CG  ASP A 158      19.944  11.720 -32.842  1.00 96.38           C  
+ATOM   1220  OD1 ASP A 158      20.244  12.119 -33.989  1.00 96.38           O  
+ATOM   1221  OD2 ASP A 158      18.775  11.416 -32.521  1.00 96.38           O  
+ATOM   1222  N   LEU A 159      24.578  10.734 -31.461  1.00 96.26           N  
+ATOM   1223  CA  LEU A 159      25.718  10.874 -30.561  1.00 96.26           C  
+ATOM   1224  C   LEU A 159      26.362  12.248 -30.711  1.00 96.26           C  
+ATOM   1225  CB  LEU A 159      26.753   9.780 -30.832  1.00 96.26           C  
+ATOM   1226  O   LEU A 159      26.820  12.835 -29.727  1.00 96.26           O  
+ATOM   1227  CG  LEU A 159      27.927   9.700 -29.855  1.00 96.26           C  
+ATOM   1228  CD1 LEU A 159      27.428   9.369 -28.452  1.00 96.26           C  
+ATOM   1229  CD2 LEU A 159      28.944   8.665 -30.324  1.00 96.26           C  
+ATOM   1230  N   ASP A 160      26.350  12.798 -31.885  1.00 94.97           N  
+ATOM   1231  CA  ASP A 160      26.966  14.098 -32.134  1.00 94.97           C  
+ATOM   1232  C   ASP A 160      26.282  15.194 -31.321  1.00 94.97           C  
+ATOM   1233  CB  ASP A 160      26.915  14.439 -33.625  1.00 94.97           C  
+ATOM   1234  O   ASP A 160      26.951  16.040 -30.724  1.00 94.97           O  
+ATOM   1235  CG  ASP A 160      27.857  13.590 -34.460  1.00 94.97           C  
+ATOM   1236  OD1 ASP A 160      28.936  13.203 -33.960  1.00 94.97           O  
+ATOM   1237  OD2 ASP A 160      27.520  13.307 -35.630  1.00 94.97           O  
+ATOM   1238  N   ARG A 161      24.983  15.089 -31.295  1.00 96.11           N  
+ATOM   1239  CA  ARG A 161      24.204  16.050 -30.520  1.00 96.11           C  
+ATOM   1240  C   ARG A 161      24.415  15.845 -29.024  1.00 96.11           C  
+ATOM   1241  CB  ARG A 161      22.717  15.936 -30.861  1.00 96.11           C  
+ATOM   1242  O   ARG A 161      24.625  16.808 -28.284  1.00 96.11           O  
+ATOM   1243  CG  ARG A 161      21.827  16.868 -30.053  1.00 96.11           C  
+ATOM   1244  CD  ARG A 161      20.356  16.685 -30.400  1.00 96.11           C  
+ATOM   1245  NE  ARG A 161      19.907  15.320 -30.141  1.00 96.11           N  
+ATOM   1246  NH1 ARG A 161      19.463  15.671 -27.901  1.00 96.11           N  
+ATOM   1247  NH2 ARG A 161      19.106  13.608 -28.836  1.00 96.11           N  
+ATOM   1248  CZ  ARG A 161      19.493  14.869 -28.960  1.00 96.11           C  
+ATOM   1249  N   ILE A 162      24.468  14.593 -28.601  1.00 95.68           N  
+ATOM   1250  CA  ILE A 162      24.510  14.205 -27.195  1.00 95.68           C  
+ATOM   1251  C   ILE A 162      25.891  14.507 -26.617  1.00 95.68           C  
+ATOM   1252  CB  ILE A 162      24.168  12.709 -27.011  1.00 95.68           C  
+ATOM   1253  O   ILE A 162      26.019  14.825 -25.432  1.00 95.68           O  
+ATOM   1254  CG1 ILE A 162      22.700  12.450 -27.368  1.00 95.68           C  
+ATOM   1255  CG2 ILE A 162      24.471  12.258 -25.579  1.00 95.68           C  
+ATOM   1256  CD1 ILE A 162      22.332  10.974 -27.441  1.00 95.68           C  
+ATOM   1257  N   ALA A 163      26.916  14.552 -27.442  1.00 94.19           N  
+ATOM   1258  CA  ALA A 163      28.293  14.681 -26.972  1.00 94.19           C  
+ATOM   1259  C   ALA A 163      28.729  16.143 -26.941  1.00 94.19           C  
+ATOM   1260  CB  ALA A 163      29.235  13.867 -27.856  1.00 94.19           C  
+ATOM   1261  O   ALA A 163      29.832  16.460 -26.491  1.00 94.19           O  
+ATOM   1262  N   GLN A 164      27.849  17.077 -27.301  1.00 93.99           N  
+ATOM   1263  CA  GLN A 164      28.186  18.496 -27.264  1.00 93.99           C  
+ATOM   1264  C   GLN A 164      28.337  18.989 -25.828  1.00 93.99           C  
+ATOM   1265  CB  GLN A 164      27.123  19.320 -27.992  1.00 93.99           C  
+ATOM   1266  O   GLN A 164      27.619  18.539 -24.933  1.00 93.99           O  
+ATOM   1267  CG  GLN A 164      27.079  19.077 -29.495  1.00 93.99           C  
+ATOM   1268  CD  GLN A 164      28.327  19.567 -30.206  1.00 93.99           C  
+ATOM   1269  NE2 GLN A 164      28.674  18.917 -31.311  1.00 93.99           N  
+ATOM   1270  OE1 GLN A 164      28.973  20.524 -29.765  1.00 93.99           O  
+ATOM   1271  N   PRO A 165      29.291  19.896 -25.499  1.00 89.16           N  
+ATOM   1272  CA  PRO A 165      29.535  20.389 -24.142  1.00 89.16           C  
+ATOM   1273  C   PRO A 165      28.331  21.123 -23.556  1.00 89.16           C  
+ATOM   1274  CB  PRO A 165      30.721  21.341 -24.321  1.00 89.16           C  
+ATOM   1275  O   PRO A 165      28.082  21.044 -22.350  1.00 89.16           O  
+ATOM   1276  CG  PRO A 165      31.383  20.893 -25.584  1.00 89.16           C  
+ATOM   1277  CD  PRO A 165      30.340  20.292 -26.482  1.00 89.16           C  
+ATOM   1278  N   ASN A 166      27.508  21.696 -24.442  1.00 92.04           N  
+ATOM   1279  CA  ASN A 166      26.360  22.453 -23.956  1.00 92.04           C  
+ATOM   1280  C   ASN A 166      25.061  21.671 -24.125  1.00 92.04           C  
+ATOM   1281  CB  ASN A 166      26.264  23.802 -24.671  1.00 92.04           C  
+ATOM   1282  O   ASN A 166      23.978  22.259 -24.170  1.00 92.04           O  
+ATOM   1283  CG  ASN A 166      26.130  23.658 -26.174  1.00 92.04           C  
+ATOM   1284  ND2 ASN A 166      25.635  24.702 -26.828  1.00 92.04           N  
+ATOM   1285  OD1 ASN A 166      26.467  22.616 -26.743  1.00 92.04           O  
+ATOM   1286  N   TYR A 167      25.162  20.381 -24.216  1.00 94.90           N  
+ATOM   1287  CA  TYR A 167      24.021  19.496 -24.421  1.00 94.90           C  
+ATOM   1288  C   TYR A 167      23.077  19.537 -23.225  1.00 94.90           C  
+ATOM   1289  CB  TYR A 167      24.492  18.060 -24.666  1.00 94.90           C  
+ATOM   1290  O   TYR A 167      23.504  19.354 -22.083  1.00 94.90           O  
+ATOM   1291  CG  TYR A 167      23.380  17.040 -24.623  1.00 94.90           C  
+ATOM   1292  CD1 TYR A 167      23.386  16.013 -23.682  1.00 94.90           C  
+ATOM   1293  CD2 TYR A 167      22.321  17.101 -25.523  1.00 94.90           C  
+ATOM   1294  CE1 TYR A 167      22.364  15.071 -23.639  1.00 94.90           C  
+ATOM   1295  CE2 TYR A 167      21.294  16.164 -25.490  1.00 94.90           C  
+ATOM   1296  OH  TYR A 167      20.309  14.224 -24.508  1.00 94.90           O  
+ATOM   1297  CZ  TYR A 167      21.324  15.154 -24.546  1.00 94.90           C  
+ATOM   1298  N   ILE A 168      21.867  19.835 -23.571  1.00 95.27           N  
+ATOM   1299  CA  ILE A 168      20.763  19.723 -22.625  1.00 95.27           C  
+ATOM   1300  C   ILE A 168      19.721  18.744 -23.161  1.00 95.27           C  
+ATOM   1301  CB  ILE A 168      20.114  21.097 -22.347  1.00 95.27           C  
+ATOM   1302  O   ILE A 168      19.219  18.911 -24.275  1.00 95.27           O  
+ATOM   1303  CG1 ILE A 168      21.153  22.075 -21.786  1.00 95.27           C  
+ATOM   1304  CG2 ILE A 168      18.928  20.951 -21.390  1.00 95.27           C  
+ATOM   1305  CD1 ILE A 168      20.647  23.504 -21.648  1.00 95.27           C  
+ATOM   1306  N   PRO A 169      19.495  17.669 -22.308  1.00 97.30           N  
+ATOM   1307  CA  PRO A 169      18.529  16.683 -22.797  1.00 97.30           C  
+ATOM   1308  C   PRO A 169      17.181  17.305 -23.154  1.00 97.30           C  
+ATOM   1309  CB  PRO A 169      18.389  15.713 -21.622  1.00 97.30           C  
+ATOM   1310  O   PRO A 169      16.718  18.220 -22.468  1.00 97.30           O  
+ATOM   1311  CG  PRO A 169      19.679  15.826 -20.877  1.00 97.30           C  
+ATOM   1312  CD  PRO A 169      20.140  17.255 -20.935  1.00 97.30           C  
+ATOM   1313  N   THR A 170      16.666  16.751 -24.307  1.00 96.19           N  
+ATOM   1314  CA  THR A 170      15.318  17.142 -24.705  1.00 96.19           C  
+ATOM   1315  C   THR A 170      14.273  16.322 -23.954  1.00 96.19           C  
+ATOM   1316  CB  THR A 170      15.113  16.976 -26.222  1.00 96.19           C  
+ATOM   1317  O   THR A 170      14.612  15.360 -23.261  1.00 96.19           O  
+ATOM   1318  CG2 THR A 170      16.188  17.720 -27.007  1.00 96.19           C  
+ATOM   1319  OG1 THR A 170      15.171  15.583 -26.555  1.00 96.19           O  
+ATOM   1320  N   GLN A 171      13.074  16.687 -24.014  1.00 94.69           N  
+ATOM   1321  CA  GLN A 171      12.003  15.909 -23.400  1.00 94.69           C  
+ATOM   1322  C   GLN A 171      11.954  14.495 -23.971  1.00 94.69           C  
+ATOM   1323  CB  GLN A 171      10.654  16.602 -23.598  1.00 94.69           C  
+ATOM   1324  O   GLN A 171      11.651  13.540 -23.252  1.00 94.69           O  
+ATOM   1325  CG  GLN A 171      10.488  17.872 -22.773  1.00 94.69           C  
+ATOM   1326  CD  GLN A 171       9.062  18.388 -22.771  1.00 94.69           C  
+ATOM   1327  NE2 GLN A 171       8.892  19.664 -23.102  1.00 94.69           N  
+ATOM   1328  OE1 GLN A 171       8.120  17.646 -22.475  1.00 94.69           O  
+ATOM   1329  N   GLN A 172      12.338  14.458 -25.282  1.00 95.20           N  
+ATOM   1330  CA  GLN A 172      12.383  13.142 -25.910  1.00 95.20           C  
+ATOM   1331  C   GLN A 172      13.500  12.288 -25.319  1.00 95.20           C  
+ATOM   1332  CB  GLN A 172      12.567  13.274 -27.423  1.00 95.20           C  
+ATOM   1333  O   GLN A 172      13.329  11.083 -25.118  1.00 95.20           O  
+ATOM   1334  CG  GLN A 172      12.326  11.980 -28.188  1.00 95.20           C  
+ATOM   1335  CD  GLN A 172      10.947  11.399 -27.938  1.00 95.20           C  
+ATOM   1336  NE2 GLN A 172      10.806  10.094 -28.146  1.00 95.20           N  
+ATOM   1337  OE1 GLN A 172      10.015  12.117 -27.560  1.00 95.20           O  
+ATOM   1338  N   ASP A 173      14.587  12.919 -24.990  1.00 96.71           N  
+ATOM   1339  CA  ASP A 173      15.687  12.221 -24.331  1.00 96.71           C  
+ATOM   1340  C   ASP A 173      15.266  11.705 -22.957  1.00 96.71           C  
+ATOM   1341  CB  ASP A 173      16.903  13.141 -24.198  1.00 96.71           C  
+ATOM   1342  O   ASP A 173      15.559  10.562 -22.601  1.00 96.71           O  
+ATOM   1343  CG  ASP A 173      17.495  13.540 -25.538  1.00 96.71           C  
+ATOM   1344  OD1 ASP A 173      17.407  12.750 -26.503  1.00 96.71           O  
+ATOM   1345  OD2 ASP A 173      18.056  14.653 -25.630  1.00 96.71           O  
+ATOM   1346  N   VAL A 174      14.548  12.537 -22.295  1.00 95.88           N  
+ATOM   1347  CA  VAL A 174      14.100  12.208 -20.945  1.00 95.88           C  
+ATOM   1348  C   VAL A 174      13.133  11.028 -20.995  1.00 95.88           C  
+ATOM   1349  CB  VAL A 174      13.429  13.419 -20.259  1.00 95.88           C  
+ATOM   1350  O   VAL A 174      13.252  10.086 -20.208  1.00 95.88           O  
+ATOM   1351  CG1 VAL A 174      12.844  13.017 -18.906  1.00 95.88           C  
+ATOM   1352  CG2 VAL A 174      14.430  14.561 -20.094  1.00 95.88           C  
+ATOM   1353  N   LEU A 175      12.262  10.995 -21.947  1.00 94.89           N  
+ATOM   1354  CA  LEU A 175      11.263   9.940 -22.082  1.00 94.89           C  
+ATOM   1355  C   LEU A 175      11.928   8.590 -22.332  1.00 94.89           C  
+ATOM   1356  CB  LEU A 175      10.293  10.263 -23.222  1.00 94.89           C  
+ATOM   1357  O   LEU A 175      11.419   7.553 -21.901  1.00 94.89           O  
+ATOM   1358  CG  LEU A 175       9.235  11.328 -22.930  1.00 94.89           C  
+ATOM   1359  CD1 LEU A 175       8.426  11.629 -24.187  1.00 94.89           C  
+ATOM   1360  CD2 LEU A 175       8.322  10.878 -21.795  1.00 94.89           C  
+ATOM   1361  N   ARG A 176      13.089   8.597 -22.878  1.00 95.27           N  
+ATOM   1362  CA  ARG A 176      13.721   7.369 -23.350  1.00 95.27           C  
+ATOM   1363  C   ARG A 176      14.763   6.873 -22.353  1.00 95.27           C  
+ATOM   1364  CB  ARG A 176      14.367   7.589 -24.719  1.00 95.27           C  
+ATOM   1365  O   ARG A 176      15.399   5.840 -22.575  1.00 95.27           O  
+ATOM   1366  CG  ARG A 176      13.368   7.772 -25.850  1.00 95.27           C  
+ATOM   1367  CD  ARG A 176      14.062   7.935 -27.195  1.00 95.27           C  
+ATOM   1368  NE  ARG A 176      13.102   7.990 -28.294  1.00 95.27           N  
+ATOM   1369  NH1 ARG A 176      13.563   5.866 -29.078  1.00 95.27           N  
+ATOM   1370  NH2 ARG A 176      11.989   7.163 -30.125  1.00 95.27           N  
+ATOM   1371  CZ  ARG A 176      12.887   7.006 -29.163  1.00 95.27           C  
+ATOM   1372  N   THR A 177      14.863   7.678 -21.303  1.00 95.05           N  
+ATOM   1373  CA  THR A 177      15.808   7.243 -20.281  1.00 95.05           C  
+ATOM   1374  C   THR A 177      15.282   6.014 -19.546  1.00 95.05           C  
+ATOM   1375  CB  THR A 177      16.092   8.368 -19.268  1.00 95.05           C  
+ATOM   1376  O   THR A 177      14.070   5.844 -19.398  1.00 95.05           O  
+ATOM   1377  CG2 THR A 177      16.737   9.571 -19.947  1.00 95.05           C  
+ATOM   1378  OG1 THR A 177      14.860   8.779 -18.662  1.00 95.05           O  
+ATOM   1379  N   ARG A 178      16.294   5.241 -19.159  1.00 91.22           N  
+ATOM   1380  CA  ARG A 178      15.948   4.024 -18.431  1.00 91.22           C  
+ATOM   1381  C   ARG A 178      16.669   3.966 -17.088  1.00 91.22           C  
+ATOM   1382  CB  ARG A 178      16.288   2.785 -19.262  1.00 91.22           C  
+ATOM   1383  O   ARG A 178      17.901   3.965 -17.039  1.00 91.22           O  
+ATOM   1384  CG  ARG A 178      15.894   1.473 -18.602  1.00 91.22           C  
+ATOM   1385  CD  ARG A 178      16.214   0.278 -19.488  1.00 91.22           C  
+ATOM   1386  NE  ARG A 178      15.909  -0.985 -18.821  1.00 91.22           N  
+ATOM   1387  NH1 ARG A 178      16.638  -2.319 -20.561  1.00 91.22           N  
+ATOM   1388  NH2 ARG A 178      15.803  -3.273 -18.651  1.00 91.22           N  
+ATOM   1389  CZ  ARG A 178      16.117  -2.189 -19.346  1.00 91.22           C  
+ATOM   1390  N   VAL A 179      15.786   3.903 -16.080  1.00 88.28           N  
+ATOM   1391  CA  VAL A 179      16.227   3.701 -14.704  1.00 88.28           C  
+ATOM   1392  C   VAL A 179      15.383   2.613 -14.045  1.00 88.28           C  
+ATOM   1393  CB  VAL A 179      16.147   5.008 -13.884  1.00 88.28           C  
+ATOM   1394  O   VAL A 179      14.151   2.657 -14.097  1.00 88.28           O  
+ATOM   1395  CG1 VAL A 179      16.649   4.784 -12.459  1.00 88.28           C  
+ATOM   1396  CG2 VAL A 179      16.946   6.116 -14.568  1.00 88.28           C  
+ATOM   1397  N   LYS A 180      16.114   1.694 -13.497  1.00 83.86           N  
+ATOM   1398  CA  LYS A 180      15.374   0.634 -12.819  1.00 83.86           C  
+ATOM   1399  C   LYS A 180      14.454   1.206 -11.744  1.00 83.86           C  
+ATOM   1400  CB  LYS A 180      16.336  -0.381 -12.200  1.00 83.86           C  
+ATOM   1401  O   LYS A 180      14.902   1.950 -10.868  1.00 83.86           O  
+ATOM   1402  CG  LYS A 180      15.659  -1.646 -11.692  1.00 83.86           C  
+ATOM   1403  CD  LYS A 180      16.674  -2.645 -11.152  1.00 83.86           C  
+ATOM   1404  CE  LYS A 180      15.994  -3.891 -10.600  1.00 83.86           C  
+ATOM   1405  NZ  LYS A 180      16.986  -4.876 -10.073  1.00 83.86           N  
+ATOM   1406  N   THR A 181      13.134   0.908 -11.936  1.00 82.11           N  
+ATOM   1407  CA  THR A 181      12.161   1.419 -10.977  1.00 82.11           C  
+ATOM   1408  C   THR A 181      12.112   0.535  -9.734  1.00 82.11           C  
+ATOM   1409  CB  THR A 181      10.757   1.511 -11.601  1.00 82.11           C  
+ATOM   1410  O   THR A 181      11.948  -0.682  -9.837  1.00 82.11           O  
+ATOM   1411  CG2 THR A 181       9.768   2.160 -10.637  1.00 82.11           C  
+ATOM   1412  OG1 THR A 181      10.823   2.294 -12.799  1.00 82.11           O  
+ATOM   1413  N   THR A 182      12.413   1.104  -8.531  1.00 80.32           N  
+ATOM   1414  CA  THR A 182      12.323   0.388  -7.263  1.00 80.32           C  
+ATOM   1415  C   THR A 182      11.233   0.987  -6.380  1.00 80.32           C  
+ATOM   1416  CB  THR A 182      13.667   0.413  -6.511  1.00 80.32           C  
+ATOM   1417  O   THR A 182      10.981   2.193  -6.427  1.00 80.32           O  
+ATOM   1418  CG2 THR A 182      14.770  -0.244  -7.335  1.00 80.32           C  
+ATOM   1419  OG1 THR A 182      14.033   1.772  -6.242  1.00 80.32           O  
+ATOM   1420  N   GLY A 183      10.428   0.150  -5.746  1.00 77.51           N  
+ATOM   1421  CA  GLY A 183       9.395   0.616  -4.835  1.00 77.51           C  
+ATOM   1422  C   GLY A 183       8.179   1.177  -5.550  1.00 77.51           C  
+ATOM   1423  O   GLY A 183       7.903   0.814  -6.695  1.00 77.51           O  
+ATOM   1424  N   ILE A 184       7.377   1.926  -4.836  1.00 84.07           N  
+ATOM   1425  CA  ILE A 184       6.141   2.526  -5.327  1.00 84.07           C  
+ATOM   1426  C   ILE A 184       6.302   4.041  -5.417  1.00 84.07           C  
+ATOM   1427  CB  ILE A 184       4.941   2.168  -4.422  1.00 84.07           C  
+ATOM   1428  O   ILE A 184       6.638   4.696  -4.428  1.00 84.07           O  
+ATOM   1429  CG1 ILE A 184       4.784   0.646  -4.320  1.00 84.07           C  
+ATOM   1430  CG2 ILE A 184       3.656   2.817  -4.946  1.00 84.07           C  
+ATOM   1431  CD1 ILE A 184       3.785   0.196  -3.263  1.00 84.07           C  
+ATOM   1432  N   VAL A 185       6.189   4.497  -6.662  1.00 85.37           N  
+ATOM   1433  CA  VAL A 185       6.276   5.938  -6.875  1.00 85.37           C  
+ATOM   1434  C   VAL A 185       4.892   6.497  -7.196  1.00 85.37           C  
+ATOM   1435  CB  VAL A 185       7.267   6.286  -8.007  1.00 85.37           C  
+ATOM   1436  O   VAL A 185       4.185   5.965  -8.055  1.00 85.37           O  
+ATOM   1437  CG1 VAL A 185       7.325   7.796  -8.229  1.00 85.37           C  
+ATOM   1438  CG2 VAL A 185       8.656   5.736  -7.687  1.00 85.37           C  
+ATOM   1439  N   GLU A 186       4.561   7.556  -6.518  1.00 89.31           N  
+ATOM   1440  CA  GLU A 186       3.255   8.191  -6.671  1.00 89.31           C  
+ATOM   1441  C   GLU A 186       3.377   9.541  -7.374  1.00 89.31           C  
+ATOM   1442  CB  GLU A 186       2.579   8.366  -5.309  1.00 89.31           C  
+ATOM   1443  O   GLU A 186       4.202  10.373  -6.992  1.00 89.31           O  
+ATOM   1444  CG  GLU A 186       1.186   8.975  -5.388  1.00 89.31           C  
+ATOM   1445  CD  GLU A 186       0.546   9.187  -4.025  1.00 89.31           C  
+ATOM   1446  OE1 GLU A 186      -0.495   9.877  -3.944  1.00 89.31           O  
+ATOM   1447  OE2 GLU A 186       1.092   8.660  -3.030  1.00 89.31           O  
+ATOM   1448  N   THR A 187       2.551   9.703  -8.471  1.00 87.17           N  
+ATOM   1449  CA  THR A 187       2.518  10.966  -9.201  1.00 87.17           C  
+ATOM   1450  C   THR A 187       1.106  11.546  -9.212  1.00 87.17           C  
+ATOM   1451  CB  THR A 187       3.015  10.788 -10.647  1.00 87.17           C  
+ATOM   1452  O   THR A 187       0.129  10.813  -9.373  1.00 87.17           O  
+ATOM   1453  CG2 THR A 187       3.093  12.129 -11.370  1.00 87.17           C  
+ATOM   1454  OG1 THR A 187       4.317  10.191 -10.629  1.00 87.17           O  
+ATOM   1455  N   HIS A 188       1.093  12.894  -9.114  1.00 89.32           N  
+ATOM   1456  CA  HIS A 188      -0.195  13.576  -9.062  1.00 89.32           C  
+ATOM   1457  C   HIS A 188      -0.353  14.542 -10.231  1.00 89.32           C  
+ATOM   1458  CB  HIS A 188      -0.352  14.325  -7.738  1.00 89.32           C  
+ATOM   1459  O   HIS A 188       0.601  15.223 -10.614  1.00 89.32           O  
+ATOM   1460  CG  HIS A 188      -0.258  13.442  -6.534  1.00 89.32           C  
+ATOM   1461  CD2 HIS A 188       0.315  12.226  -6.366  1.00 89.32           C  
+ATOM   1462  ND1 HIS A 188      -0.800  13.785  -5.315  1.00 89.32           N  
+ATOM   1463  CE1 HIS A 188      -0.564  12.816  -4.446  1.00 89.32           C  
+ATOM   1464  NE2 HIS A 188       0.111  11.859  -5.059  1.00 89.32           N  
+ATOM   1465  N   PHE A 189      -1.548  14.493 -10.812  1.00 88.18           N  
+ATOM   1466  CA  PHE A 189      -1.847  15.496 -11.827  1.00 88.18           C  
+ATOM   1467  C   PHE A 189      -3.349  15.737 -11.924  1.00 88.18           C  
+ATOM   1468  CB  PHE A 189      -1.295  15.066 -13.189  1.00 88.18           C  
+ATOM   1469  O   PHE A 189      -4.144  14.944 -11.417  1.00 88.18           O  
+ATOM   1470  CG  PHE A 189      -1.887  13.782 -13.706  1.00 88.18           C  
+ATOM   1471  CD1 PHE A 189      -1.343  12.555 -13.348  1.00 88.18           C  
+ATOM   1472  CD2 PHE A 189      -2.989  13.804 -14.552  1.00 88.18           C  
+ATOM   1473  CE1 PHE A 189      -1.889  11.366 -13.825  1.00 88.18           C  
+ATOM   1474  CE2 PHE A 189      -3.540  12.620 -15.032  1.00 88.18           C  
+ATOM   1475  CZ  PHE A 189      -2.988  11.402 -14.669  1.00 88.18           C  
+ATOM   1476  N   THR A 190      -3.663  16.921 -12.456  1.00 84.98           N  
+ATOM   1477  CA  THR A 190      -5.066  17.289 -12.611  1.00 84.98           C  
+ATOM   1478  C   THR A 190      -5.469  17.282 -14.083  1.00 84.98           C  
+ATOM   1479  CB  THR A 190      -5.350  18.676 -12.005  1.00 84.98           C  
+ATOM   1480  O   THR A 190      -4.720  17.759 -14.938  1.00 84.98           O  
+ATOM   1481  CG2 THR A 190      -6.840  19.000 -12.045  1.00 84.98           C  
+ATOM   1482  OG1 THR A 190      -4.905  18.696 -10.643  1.00 84.98           O  
+ATOM   1483  N   PHE A 191      -6.646  16.645 -14.288  1.00 83.45           N  
+ATOM   1484  CA  PHE A 191      -7.179  16.572 -15.643  1.00 83.45           C  
+ATOM   1485  C   PHE A 191      -8.703  16.614 -15.628  1.00 83.45           C  
+ATOM   1486  CB  PHE A 191      -6.697  15.298 -16.344  1.00 83.45           C  
+ATOM   1487  O   PHE A 191      -9.345  15.806 -14.954  1.00 83.45           O  
+ATOM   1488  CG  PHE A 191      -7.163  15.176 -17.770  1.00 83.45           C  
+ATOM   1489  CD1 PHE A 191      -8.032  14.159 -18.146  1.00 83.45           C  
+ATOM   1490  CD2 PHE A 191      -6.732  16.079 -18.733  1.00 83.45           C  
+ATOM   1491  CE1 PHE A 191      -8.465  14.044 -19.465  1.00 83.45           C  
+ATOM   1492  CE2 PHE A 191      -7.161  15.970 -20.053  1.00 83.45           C  
+ATOM   1493  CZ  PHE A 191      -8.027  14.951 -20.417  1.00 83.45           C  
+ATOM   1494  N   LYS A 192      -9.378  17.569 -16.378  1.00 81.42           N  
+ATOM   1495  CA  LYS A 192     -10.823  17.751 -16.474  1.00 81.42           C  
+ATOM   1496  C   LYS A 192     -11.454  17.882 -15.091  1.00 81.42           C  
+ATOM   1497  CB  LYS A 192     -11.461  16.587 -17.233  1.00 81.42           C  
+ATOM   1498  O   LYS A 192     -12.477  17.254 -14.808  1.00 81.42           O  
+ATOM   1499  CG  LYS A 192     -11.111  16.547 -18.714  1.00 81.42           C  
+ATOM   1500  CD  LYS A 192     -11.944  15.511 -19.457  1.00 81.42           C  
+ATOM   1501  CE  LYS A 192     -11.730  15.597 -20.963  1.00 81.42           C  
+ATOM   1502  NZ  LYS A 192     -12.561  14.597 -21.698  1.00 81.42           N  
+ATOM   1503  N   ASP A 193     -10.765  18.562 -14.130  1.00 78.28           N  
+ATOM   1504  CA  ASP A 193     -11.237  18.891 -12.788  1.00 78.28           C  
+ATOM   1505  C   ASP A 193     -11.195  17.668 -11.875  1.00 78.28           C  
+ATOM   1506  CB  ASP A 193     -12.657  19.458 -12.843  1.00 78.28           C  
+ATOM   1507  O   ASP A 193     -11.843  17.647 -10.827  1.00 78.28           O  
+ATOM   1508  CG  ASP A 193     -12.728  20.816 -13.519  1.00 78.28           C  
+ATOM   1509  OD1 ASP A 193     -11.782  21.620 -13.374  1.00 78.28           O  
+ATOM   1510  OD2 ASP A 193     -13.741  21.086 -14.200  1.00 78.28           O  
+ATOM   1511  N   LEU A 194     -10.609  16.590 -12.385  1.00 82.49           N  
+ATOM   1512  CA  LEU A 194     -10.359  15.416 -11.556  1.00 82.49           C  
+ATOM   1513  C   LEU A 194      -8.905  15.376 -11.097  1.00 82.49           C  
+ATOM   1514  CB  LEU A 194     -10.700  14.136 -12.323  1.00 82.49           C  
+ATOM   1515  O   LEU A 194      -8.011  15.835 -11.810  1.00 82.49           O  
+ATOM   1516  CG  LEU A 194     -12.168  13.944 -12.704  1.00 82.49           C  
+ATOM   1517  CD1 LEU A 194     -12.320  12.759 -13.652  1.00 82.49           C  
+ATOM   1518  CD2 LEU A 194     -13.024  13.750 -11.457  1.00 82.49           C  
+ATOM   1519  N   HIS A 195      -8.769  14.866  -9.887  1.00 85.35           N  
+ATOM   1520  CA  HIS A 195      -7.428  14.694  -9.339  1.00 85.35           C  
+ATOM   1521  C   HIS A 195      -6.958  13.250  -9.476  1.00 85.35           C  
+ATOM   1522  CB  HIS A 195      -7.391  15.122  -7.871  1.00 85.35           C  
+ATOM   1523  O   HIS A 195      -7.575  12.337  -8.923  1.00 85.35           O  
+ATOM   1524  CG  HIS A 195      -7.717  16.566  -7.658  1.00 85.35           C  
+ATOM   1525  CD2 HIS A 195      -8.834  17.163  -7.179  1.00 85.35           C  
+ATOM   1526  ND1 HIS A 195      -6.833  17.580  -7.954  1.00 85.35           N  
+ATOM   1527  CE1 HIS A 195      -7.394  18.743  -7.665  1.00 85.35           C  
+ATOM   1528  NE2 HIS A 195      -8.608  18.517  -7.194  1.00 85.35           N  
+ATOM   1529  N   PHE A 196      -5.875  13.088 -10.286  1.00 88.77           N  
+ATOM   1530  CA  PHE A 196      -5.374  11.742 -10.540  1.00 88.77           C  
+ATOM   1531  C   PHE A 196      -4.175  11.434  -9.651  1.00 88.77           C  
+ATOM   1532  CB  PHE A 196      -4.990  11.579 -12.014  1.00 88.77           C  
+ATOM   1533  O   PHE A 196      -3.290  12.275  -9.480  1.00 88.77           O  
+ATOM   1534  CG  PHE A 196      -6.170  11.443 -12.937  1.00 88.77           C  
+ATOM   1535  CD1 PHE A 196      -6.587  10.192 -13.375  1.00 88.77           C  
+ATOM   1536  CD2 PHE A 196      -6.863  12.567 -13.367  1.00 88.77           C  
+ATOM   1537  CE1 PHE A 196      -7.680  10.063 -14.230  1.00 88.77           C  
+ATOM   1538  CE2 PHE A 196      -7.956  12.446 -14.221  1.00 88.77           C  
+ATOM   1539  CZ  PHE A 196      -8.362  11.194 -14.652  1.00 88.77           C  
+ATOM   1540  N   LYS A 197      -4.318  10.260  -9.015  1.00 90.61           N  
+ATOM   1541  CA  LYS A 197      -3.175   9.644  -8.347  1.00 90.61           C  
+ATOM   1542  C   LYS A 197      -2.714   8.392  -9.087  1.00 90.61           C  
+ATOM   1543  CB  LYS A 197      -3.522   9.299  -6.898  1.00 90.61           C  
+ATOM   1544  O   LYS A 197      -3.423   7.384  -9.114  1.00 90.61           O  
+ATOM   1545  CG  LYS A 197      -3.744  10.513  -6.008  1.00 90.61           C  
+ATOM   1546  CD  LYS A 197      -3.979  10.108  -4.559  1.00 90.61           C  
+ATOM   1547  CE  LYS A 197      -4.233  11.320  -3.673  1.00 90.61           C  
+ATOM   1548  NZ  LYS A 197      -4.468  10.928  -2.251  1.00 90.61           N  
+ATOM   1549  N   MET A 198      -1.525   8.561  -9.649  1.00 91.52           N  
+ATOM   1550  CA  MET A 198      -1.001   7.458 -10.450  1.00 91.52           C  
+ATOM   1551  C   MET A 198       0.152   6.765  -9.734  1.00 91.52           C  
+ATOM   1552  CB  MET A 198      -0.541   7.959 -11.820  1.00 91.52           C  
+ATOM   1553  O   MET A 198       1.081   7.423  -9.262  1.00 91.52           O  
+ATOM   1554  CG  MET A 198      -0.180   6.846 -12.790  1.00 91.52           C  
+ATOM   1555  SD  MET A 198       0.206   7.475 -14.470  1.00 91.52           S  
+ATOM   1556  CE  MET A 198      -1.472   7.755 -15.101  1.00 91.52           C  
+ATOM   1557  N   PHE A 199       0.006   5.437  -9.603  1.00 92.23           N  
+ATOM   1558  CA  PHE A 199       1.012   4.649  -8.902  1.00 92.23           C  
+ATOM   1559  C   PHE A 199       1.852   3.845  -9.886  1.00 92.23           C  
+ATOM   1560  CB  PHE A 199       0.350   3.711  -7.887  1.00 92.23           C  
+ATOM   1561  O   PHE A 199       1.321   3.030 -10.643  1.00 92.23           O  
+ATOM   1562  CG  PHE A 199      -0.407   4.428  -6.802  1.00 92.23           C  
+ATOM   1563  CD1 PHE A 199       0.210   4.745  -5.598  1.00 92.23           C  
+ATOM   1564  CD2 PHE A 199      -1.737   4.784  -6.986  1.00 92.23           C  
+ATOM   1565  CE1 PHE A 199      -0.488   5.408  -4.591  1.00 92.23           C  
+ATOM   1566  CE2 PHE A 199      -2.441   5.447  -5.985  1.00 92.23           C  
+ATOM   1567  CZ  PHE A 199      -1.815   5.757  -4.788  1.00 92.23           C  
+ATOM   1568  N   ASP A 200       3.192   4.166  -9.914  1.00 92.28           N  
+ATOM   1569  CA  ASP A 200       4.180   3.472 -10.735  1.00 92.28           C  
+ATOM   1570  C   ASP A 200       4.968   2.460  -9.906  1.00 92.28           C  
+ATOM   1571  CB  ASP A 200       5.134   4.474 -11.389  1.00 92.28           C  
+ATOM   1572  O   ASP A 200       5.718   2.838  -9.004  1.00 92.28           O  
+ATOM   1573  CG  ASP A 200       6.135   3.816 -12.322  1.00 92.28           C  
+ATOM   1574  OD1 ASP A 200       5.855   2.712 -12.838  1.00 92.28           O  
+ATOM   1575  OD2 ASP A 200       7.215   4.406 -12.543  1.00 92.28           O  
+ATOM   1576  N   VAL A 201       4.679   1.198 -10.145  1.00 91.30           N  
+ATOM   1577  CA  VAL A 201       5.329   0.153  -9.361  1.00 91.30           C  
+ATOM   1578  C   VAL A 201       6.351  -0.582 -10.225  1.00 91.30           C  
+ATOM   1579  CB  VAL A 201       4.301  -0.847  -8.785  1.00 91.30           C  
+ATOM   1580  O   VAL A 201       6.235  -0.601 -11.453  1.00 91.30           O  
+ATOM   1581  CG1 VAL A 201       3.397  -0.162  -7.761  1.00 91.30           C  
+ATOM   1582  CG2 VAL A 201       3.469  -1.462  -9.909  1.00 91.30           C  
+ATOM   1583  N   GLY A 202       7.400  -1.054  -9.567  1.00 87.90           N  
+ATOM   1584  CA  GLY A 202       8.411  -1.812 -10.287  1.00 87.90           C  
+ATOM   1585  C   GLY A 202       7.881  -3.105 -10.876  1.00 87.90           C  
+ATOM   1586  O   GLY A 202       7.096  -3.809 -10.237  1.00 87.90           O  
+ATOM   1587  N   GLY A 203       8.276  -3.420 -12.071  1.00 86.38           N  
+ATOM   1588  CA  GLY A 203       7.728  -4.543 -12.814  1.00 86.38           C  
+ATOM   1589  C   GLY A 203       8.602  -5.782 -12.754  1.00 86.38           C  
+ATOM   1590  O   GLY A 203       8.179  -6.867 -13.157  1.00 86.38           O  
+ATOM   1591  N   GLN A 204       9.746  -5.647 -12.085  1.00 85.52           N  
+ATOM   1592  CA  GLN A 204      10.627  -6.804 -11.963  1.00 85.52           C  
+ATOM   1593  C   GLN A 204      10.121  -7.770 -10.895  1.00 85.52           C  
+ATOM   1594  CB  GLN A 204      12.054  -6.361 -11.636  1.00 85.52           C  
+ATOM   1595  O   GLN A 204       9.405  -7.367  -9.975  1.00 85.52           O  
+ATOM   1596  CG  GLN A 204      12.738  -5.605 -12.767  1.00 85.52           C  
+ATOM   1597  CD  GLN A 204      14.123  -5.114 -12.391  1.00 85.52           C  
+ATOM   1598  NE2 GLN A 204      14.590  -4.075 -13.076  1.00 85.52           N  
+ATOM   1599  OE1 GLN A 204      14.768  -5.663 -11.493  1.00 85.52           O  
+ATOM   1600  N   ARG A 205      10.503  -9.059 -10.942  1.00 86.24           N  
+ATOM   1601  CA  ARG A 205       9.980 -10.092 -10.053  1.00 86.24           C  
+ATOM   1602  C   ARG A 205      10.262  -9.752  -8.594  1.00 86.24           C  
+ATOM   1603  CB  ARG A 205      10.583 -11.455 -10.400  1.00 86.24           C  
+ATOM   1604  O   ARG A 205       9.397  -9.927  -7.732  1.00 86.24           O  
+ATOM   1605  CG  ARG A 205       9.965 -12.108 -11.626  1.00 86.24           C  
+ATOM   1606  CD  ARG A 205      10.446 -13.541 -11.805  1.00 86.24           C  
+ATOM   1607  NE  ARG A 205       9.879 -14.155 -13.002  1.00 86.24           N  
+ATOM   1608  NH1 ARG A 205      10.896 -16.205 -12.684  1.00 86.24           N  
+ATOM   1609  NH2 ARG A 205       9.539 -15.862 -14.500  1.00 86.24           N  
+ATOM   1610  CZ  ARG A 205      10.106 -15.406 -13.393  1.00 86.24           C  
+ATOM   1611  N   SER A 206      11.356  -9.207  -8.313  1.00 81.09           N  
+ATOM   1612  CA  SER A 206      11.774  -8.896  -6.949  1.00 81.09           C  
+ATOM   1613  C   SER A 206      10.929  -7.775  -6.354  1.00 81.09           C  
+ATOM   1614  CB  SER A 206      13.252  -8.504  -6.917  1.00 81.09           C  
+ATOM   1615  O   SER A 206      10.824  -7.651  -5.132  1.00 81.09           O  
+ATOM   1616  OG  SER A 206      13.494  -7.385  -7.752  1.00 81.09           O  
+ATOM   1617  N   GLU A 207      10.284  -7.052  -7.217  1.00 86.72           N  
+ATOM   1618  CA  GLU A 207       9.561  -5.874  -6.749  1.00 86.72           C  
+ATOM   1619  C   GLU A 207       8.065  -6.155  -6.633  1.00 86.72           C  
+ATOM   1620  CB  GLU A 207       9.802  -4.687  -7.685  1.00 86.72           C  
+ATOM   1621  O   GLU A 207       7.323  -5.361  -6.051  1.00 86.72           O  
+ATOM   1622  CG  GLU A 207      11.252  -4.226  -7.731  1.00 86.72           C  
+ATOM   1623  CD  GLU A 207      11.779  -3.768  -6.380  1.00 86.72           C  
+ATOM   1624  OE1 GLU A 207      12.782  -4.338  -5.895  1.00 86.72           O  
+ATOM   1625  OE2 GLU A 207      11.183  -2.831  -5.802  1.00 86.72           O  
+ATOM   1626  N   ARG A 208       7.599  -7.232  -7.039  1.00 86.23           N  
+ATOM   1627  CA  ARG A 208       6.173  -7.493  -7.211  1.00 86.23           C  
+ATOM   1628  C   ARG A 208       5.499  -7.759  -5.869  1.00 86.23           C  
+ATOM   1629  CB  ARG A 208       5.954  -8.680  -8.152  1.00 86.23           C  
+ATOM   1630  O   ARG A 208       4.296  -7.539  -5.718  1.00 86.23           O  
+ATOM   1631  CG  ARG A 208       6.303  -8.389  -9.603  1.00 86.23           C  
+ATOM   1632  CD  ARG A 208       6.114  -9.614 -10.485  1.00 86.23           C  
+ATOM   1633  NE  ARG A 208       6.744  -9.440 -11.791  1.00 86.23           N  
+ATOM   1634  NH1 ARG A 208       6.538 -11.655 -12.416  1.00 86.23           N  
+ATOM   1635  NH2 ARG A 208       7.515 -10.145 -13.837  1.00 86.23           N  
+ATOM   1636  CZ  ARG A 208       6.931 -10.414 -12.678  1.00 86.23           C  
+ATOM   1637  N   LYS A 209       6.247  -8.194  -4.871  1.00 78.59           N  
+ATOM   1638  CA  LYS A 209       5.691  -8.442  -3.543  1.00 78.59           C  
+ATOM   1639  C   LYS A 209       5.141  -7.158  -2.929  1.00 78.59           C  
+ATOM   1640  CB  LYS A 209       6.751  -9.051  -2.623  1.00 78.59           C  
+ATOM   1641  O   LYS A 209       4.268  -7.204  -2.059  1.00 78.59           O  
+ATOM   1642  CG  LYS A 209       7.140 -10.476  -2.987  1.00 78.59           C  
+ATOM   1643  CD  LYS A 209       8.155 -11.046  -2.004  1.00 78.59           C  
+ATOM   1644  CE  LYS A 209       8.589 -12.451  -2.399  1.00 78.59           C  
+ATOM   1645  NZ  LYS A 209       9.627 -12.992  -1.471  1.00 78.59           N  
+ATOM   1646  N   LYS A 210       5.481  -6.060  -3.534  1.00 82.05           N  
+ATOM   1647  CA  LYS A 210       5.093  -4.764  -2.985  1.00 82.05           C  
+ATOM   1648  C   LYS A 210       3.789  -4.272  -3.606  1.00 82.05           C  
+ATOM   1649  CB  LYS A 210       6.200  -3.733  -3.207  1.00 82.05           C  
+ATOM   1650  O   LYS A 210       3.174  -3.328  -3.105  1.00 82.05           O  
+ATOM   1651  CG  LYS A 210       7.500  -4.054  -2.483  1.00 82.05           C  
+ATOM   1652  CD  LYS A 210       8.596  -3.055  -2.831  1.00 82.05           C  
+ATOM   1653  CE  LYS A 210       9.934  -3.461  -2.230  1.00 82.05           C  
+ATOM   1654  NZ  LYS A 210      11.038  -2.558  -2.675  1.00 82.05           N  
+ATOM   1655  N   TRP A 211       3.307  -4.959  -4.723  1.00 85.66           N  
+ATOM   1656  CA  TRP A 211       2.123  -4.538  -5.463  1.00 85.66           C  
+ATOM   1657  C   TRP A 211       0.895  -4.514  -4.559  1.00 85.66           C  
+ATOM   1658  CB  TRP A 211       1.876  -5.466  -6.656  1.00 85.66           C  
+ATOM   1659  O   TRP A 211       0.073  -3.598  -4.642  1.00 85.66           O  
+ATOM   1660  CG  TRP A 211       2.844  -5.276  -7.786  1.00 85.66           C  
+ATOM   1661  CD1 TRP A 211       3.996  -4.541  -7.768  1.00 85.66           C  
+ATOM   1662  CD2 TRP A 211       2.739  -5.828  -9.101  1.00 85.66           C  
+ATOM   1663  CE2 TRP A 211       3.866  -5.387  -9.830  1.00 85.66           C  
+ATOM   1664  CE3 TRP A 211       1.802  -6.655  -9.735  1.00 85.66           C  
+ATOM   1665  NE1 TRP A 211       4.616  -4.604  -8.995  1.00 85.66           N  
+ATOM   1666  CH2 TRP A 211       3.148  -6.555 -11.760  1.00 85.66           C  
+ATOM   1667  CZ2 TRP A 211       4.080  -5.745 -11.164  1.00 85.66           C  
+ATOM   1668  CZ3 TRP A 211       2.017  -7.011 -11.062  1.00 85.66           C  
+ATOM   1669  N   ILE A 212       0.838  -5.469  -3.682  1.00 78.10           N  
+ATOM   1670  CA  ILE A 212      -0.357  -5.679  -2.873  1.00 78.10           C  
+ATOM   1671  C   ILE A 212      -0.602  -4.458  -1.988  1.00 78.10           C  
+ATOM   1672  CB  ILE A 212      -0.237  -6.953  -2.006  1.00 78.10           C  
+ATOM   1673  O   ILE A 212      -1.740  -4.184  -1.599  1.00 78.10           O  
+ATOM   1674  CG1 ILE A 212      -1.594  -7.307  -1.387  1.00 78.10           C  
+ATOM   1675  CG2 ILE A 212       0.829  -6.770  -0.922  1.00 78.10           C  
+ATOM   1676  CD1 ILE A 212      -1.728  -8.769  -0.984  1.00 78.10           C  
+ATOM   1677  N   HIS A 213       0.354  -3.649  -1.851  1.00 76.60           N  
+ATOM   1678  CA  HIS A 213       0.259  -2.494  -0.966  1.00 76.60           C  
+ATOM   1679  C   HIS A 213      -0.490  -1.347  -1.637  1.00 76.60           C  
+ATOM   1680  CB  HIS A 213       1.653  -2.031  -0.537  1.00 76.60           C  
+ATOM   1681  O   HIS A 213      -0.871  -0.378  -0.976  1.00 76.60           O  
+ATOM   1682  CG  HIS A 213       2.398  -3.044   0.273  1.00 76.60           C  
+ATOM   1683  CD2 HIS A 213       3.504  -3.770  -0.011  1.00 76.60           C  
+ATOM   1684  ND1 HIS A 213       2.013  -3.408   1.545  1.00 76.60           N  
+ATOM   1685  CE1 HIS A 213       2.853  -4.317   2.010  1.00 76.60           C  
+ATOM   1686  NE2 HIS A 213       3.767  -4.555   1.085  1.00 76.60           N  
+ATOM   1687  N   CYS A 214      -0.737  -1.559  -2.973  1.00 82.40           N  
+ATOM   1688  CA  CYS A 214      -1.373  -0.459  -3.690  1.00 82.40           C  
+ATOM   1689  C   CYS A 214      -2.738  -0.874  -4.225  1.00 82.40           C  
+ATOM   1690  CB  CYS A 214      -0.486   0.015  -4.841  1.00 82.40           C  
+ATOM   1691  O   CYS A 214      -3.365  -0.130  -4.982  1.00 82.40           O  
+ATOM   1692  SG  CYS A 214       1.188   0.464  -4.333  1.00 82.40           S  
+ATOM   1693  N   PHE A 215      -3.270  -2.076  -3.806  1.00 84.52           N  
+ATOM   1694  CA  PHE A 215      -4.470  -2.651  -4.403  1.00 84.52           C  
+ATOM   1695  C   PHE A 215      -5.725  -2.030  -3.801  1.00 84.52           C  
+ATOM   1696  CB  PHE A 215      -4.492  -4.171  -4.212  1.00 84.52           C  
+ATOM   1697  O   PHE A 215      -6.778  -2.003  -4.441  1.00 84.52           O  
+ATOM   1698  CG  PHE A 215      -3.642  -4.919  -5.203  1.00 84.52           C  
+ATOM   1699  CD1 PHE A 215      -2.786  -4.239  -6.060  1.00 84.52           C  
+ATOM   1700  CD2 PHE A 215      -3.701  -6.305  -5.278  1.00 84.52           C  
+ATOM   1701  CE1 PHE A 215      -1.999  -4.929  -6.979  1.00 84.52           C  
+ATOM   1702  CE2 PHE A 215      -2.917  -7.002  -6.194  1.00 84.52           C  
+ATOM   1703  CZ  PHE A 215      -2.068  -6.312  -7.044  1.00 84.52           C  
+ATOM   1704  N   GLU A 216      -5.539  -1.305  -2.754  1.00 78.93           N  
+ATOM   1705  CA  GLU A 216      -6.741  -0.802  -2.097  1.00 78.93           C  
+ATOM   1706  C   GLU A 216      -7.202   0.512  -2.721  1.00 78.93           C  
+ATOM   1707  CB  GLU A 216      -6.497  -0.616  -0.598  1.00 78.93           C  
+ATOM   1708  O   GLU A 216      -6.403   1.433  -2.903  1.00 78.93           O  
+ATOM   1709  CG  GLU A 216      -7.768  -0.390   0.209  1.00 78.93           C  
+ATOM   1710  CD  GLU A 216      -7.519  -0.287   1.705  1.00 78.93           C  
+ATOM   1711  OE1 GLU A 216      -8.495  -0.132   2.474  1.00 78.93           O  
+ATOM   1712  OE2 GLU A 216      -6.338  -0.362   2.112  1.00 78.93           O  
+ATOM   1713  N   GLY A 217      -8.470   0.551  -3.030  1.00 76.32           N  
+ATOM   1714  CA  GLY A 217      -9.136   1.776  -3.444  1.00 76.32           C  
+ATOM   1715  C   GLY A 217      -8.748   2.224  -4.840  1.00 76.32           C  
+ATOM   1716  O   GLY A 217      -8.778   3.418  -5.145  1.00 76.32           O  
+ATOM   1717  N   VAL A 218      -8.249   1.207  -5.678  1.00 87.25           N  
+ATOM   1718  CA  VAL A 218      -7.858   1.522  -7.048  1.00 87.25           C  
+ATOM   1719  C   VAL A 218      -9.103   1.694  -7.915  1.00 87.25           C  
+ATOM   1720  CB  VAL A 218      -6.942   0.429  -7.643  1.00 87.25           C  
+ATOM   1721  O   VAL A 218     -10.004   0.851  -7.893  1.00 87.25           O  
+ATOM   1722  CG1 VAL A 218      -6.676   0.694  -9.123  1.00 87.25           C  
+ATOM   1723  CG2 VAL A 218      -5.629   0.353  -6.866  1.00 87.25           C  
+ATOM   1724  N   THR A 219      -9.078   2.874  -8.619  1.00 87.06           N  
+ATOM   1725  CA  THR A 219     -10.209   3.159  -9.496  1.00 87.06           C  
+ATOM   1726  C   THR A 219     -10.096   2.371 -10.798  1.00 87.06           C  
+ATOM   1727  CB  THR A 219     -10.307   4.664  -9.810  1.00 87.06           C  
+ATOM   1728  O   THR A 219     -11.081   1.800 -11.271  1.00 87.06           O  
+ATOM   1729  CG2 THR A 219     -11.560   4.976 -10.620  1.00 87.06           C  
+ATOM   1730  OG1 THR A 219     -10.349   5.401  -8.582  1.00 87.06           O  
+ATOM   1731  N   ALA A 220      -8.907   2.380 -11.351  1.00 90.86           N  
+ATOM   1732  CA  ALA A 220      -8.646   1.679 -12.606  1.00 90.86           C  
+ATOM   1733  C   ALA A 220      -7.194   1.217 -12.684  1.00 90.86           C  
+ATOM   1734  CB  ALA A 220      -8.981   2.575 -13.795  1.00 90.86           C  
+ATOM   1735  O   ALA A 220      -6.310   1.820 -12.071  1.00 90.86           O  
+ATOM   1736  N   ILE A 221      -7.036   0.055 -13.457  1.00 93.86           N  
+ATOM   1737  CA  ILE A 221      -5.700  -0.483 -13.692  1.00 93.86           C  
+ATOM   1738  C   ILE A 221      -5.307  -0.270 -15.152  1.00 93.86           C  
+ATOM   1739  CB  ILE A 221      -5.622  -1.983 -13.328  1.00 93.86           C  
+ATOM   1740  O   ILE A 221      -6.104  -0.523 -16.059  1.00 93.86           O  
+ATOM   1741  CG1 ILE A 221      -5.869  -2.182 -11.828  1.00 93.86           C  
+ATOM   1742  CG2 ILE A 221      -4.270  -2.570 -13.744  1.00 93.86           C  
+ATOM   1743  CD1 ILE A 221      -6.017  -3.640 -11.414  1.00 93.86           C  
+ATOM   1744  N   ILE A 222      -4.090   0.277 -15.309  1.00 95.36           N  
+ATOM   1745  CA  ILE A 222      -3.471   0.272 -16.629  1.00 95.36           C  
+ATOM   1746  C   ILE A 222      -2.384  -0.799 -16.686  1.00 95.36           C  
+ATOM   1747  CB  ILE A 222      -2.879   1.655 -16.981  1.00 95.36           C  
+ATOM   1748  O   ILE A 222      -1.353  -0.682 -16.018  1.00 95.36           O  
+ATOM   1749  CG1 ILE A 222      -3.976   2.726 -16.962  1.00 95.36           C  
+ATOM   1750  CG2 ILE A 222      -2.179   1.613 -18.343  1.00 95.36           C  
+ATOM   1751  CD1 ILE A 222      -3.463   4.142 -17.188  1.00 95.36           C  
+ATOM   1752  N   PHE A 223      -2.692  -1.817 -17.427  1.00 97.31           N  
+ATOM   1753  CA  PHE A 223      -1.718  -2.892 -17.571  1.00 97.31           C  
+ATOM   1754  C   PHE A 223      -0.934  -2.743 -18.869  1.00 97.31           C  
+ATOM   1755  CB  PHE A 223      -2.412  -4.257 -17.531  1.00 97.31           C  
+ATOM   1756  O   PHE A 223      -1.510  -2.798 -19.958  1.00 97.31           O  
+ATOM   1757  CG  PHE A 223      -1.470  -5.412 -17.322  1.00 97.31           C  
+ATOM   1758  CD1 PHE A 223      -0.821  -6.001 -18.400  1.00 97.31           C  
+ATOM   1759  CD2 PHE A 223      -1.233  -5.908 -16.047  1.00 97.31           C  
+ATOM   1760  CE1 PHE A 223       0.052  -7.070 -18.210  1.00 97.31           C  
+ATOM   1761  CE2 PHE A 223      -0.363  -6.976 -15.849  1.00 97.31           C  
+ATOM   1762  CZ  PHE A 223       0.278  -7.556 -16.932  1.00 97.31           C  
+ATOM   1763  N   CYS A 224       0.397  -2.573 -18.741  1.00 97.47           N  
+ATOM   1764  CA  CYS A 224       1.237  -2.298 -19.901  1.00 97.47           C  
+ATOM   1765  C   CYS A 224       1.924  -3.567 -20.389  1.00 97.47           C  
+ATOM   1766  CB  CYS A 224       2.284  -1.237 -19.565  1.00 97.47           C  
+ATOM   1767  O   CYS A 224       2.552  -4.280 -19.604  1.00 97.47           O  
+ATOM   1768  SG  CYS A 224       1.582   0.384 -19.187  1.00 97.47           S  
+ATOM   1769  N   VAL A 225       1.803  -3.760 -21.723  1.00 98.17           N  
+ATOM   1770  CA  VAL A 225       2.439  -4.898 -22.378  1.00 98.17           C  
+ATOM   1771  C   VAL A 225       3.358  -4.405 -23.493  1.00 98.17           C  
+ATOM   1772  CB  VAL A 225       1.393  -5.883 -22.946  1.00 98.17           C  
+ATOM   1773  O   VAL A 225       2.954  -3.587 -24.323  1.00 98.17           O  
+ATOM   1774  CG1 VAL A 225       2.078  -7.041 -23.669  1.00 98.17           C  
+ATOM   1775  CG2 VAL A 225       0.491  -6.405 -21.829  1.00 98.17           C  
+ATOM   1776  N   ALA A 226       4.575  -4.890 -23.443  1.00 97.31           N  
+ATOM   1777  CA  ALA A 226       5.500  -4.558 -24.523  1.00 97.31           C  
+ATOM   1778  C   ALA A 226       5.336  -5.515 -25.700  1.00 97.31           C  
+ATOM   1779  CB  ALA A 226       6.940  -4.583 -24.017  1.00 97.31           C  
+ATOM   1780  O   ALA A 226       5.750  -6.674 -25.627  1.00 97.31           O  
+ATOM   1781  N   LEU A 227       4.865  -5.014 -26.873  1.00 97.73           N  
+ATOM   1782  CA  LEU A 227       4.617  -5.832 -28.056  1.00 97.73           C  
+ATOM   1783  C   LEU A 227       5.926  -6.340 -28.650  1.00 97.73           C  
+ATOM   1784  CB  LEU A 227       3.841  -5.033 -29.107  1.00 97.73           C  
+ATOM   1785  O   LEU A 227       5.970  -7.430 -29.225  1.00 97.73           O  
+ATOM   1786  CG  LEU A 227       2.345  -4.846 -28.849  1.00 97.73           C  
+ATOM   1787  CD1 LEU A 227       1.744  -3.897 -29.881  1.00 97.73           C  
+ATOM   1788  CD2 LEU A 227       1.627  -6.190 -28.868  1.00 97.73           C  
+ATOM   1789  N   SER A 228       6.917  -5.606 -28.470  1.00 96.23           N  
+ATOM   1790  CA  SER A 228       8.206  -5.878 -29.097  1.00 96.23           C  
+ATOM   1791  C   SER A 228       8.960  -6.977 -28.356  1.00 96.23           C  
+ATOM   1792  CB  SER A 228       9.057  -4.609 -29.147  1.00 96.23           C  
+ATOM   1793  O   SER A 228       9.974  -7.480 -28.845  1.00 96.23           O  
+ATOM   1794  OG  SER A 228       9.263  -4.090 -27.844  1.00 96.23           O  
+ATOM   1795  N   ASP A 229       8.468  -7.513 -27.265  1.00 96.09           N  
+ATOM   1796  CA  ASP A 229       9.195  -8.445 -26.409  1.00 96.09           C  
+ATOM   1797  C   ASP A 229       8.897  -9.892 -26.796  1.00 96.09           C  
+ATOM   1798  CB  ASP A 229       8.843  -8.211 -24.939  1.00 96.09           C  
+ATOM   1799  O   ASP A 229       9.391 -10.825 -26.159  1.00 96.09           O  
+ATOM   1800  CG  ASP A 229       9.582  -7.031 -24.333  1.00 96.09           C  
+ATOM   1801  OD1 ASP A 229      10.347  -6.355 -25.054  1.00 96.09           O  
+ATOM   1802  OD2 ASP A 229       9.400  -6.776 -23.123  1.00 96.09           O  
+ATOM   1803  N   TYR A 230       8.174 -10.125 -27.887  1.00 96.29           N  
+ATOM   1804  CA  TYR A 230       7.696 -11.462 -28.223  1.00 96.29           C  
+ATOM   1805  C   TYR A 230       8.859 -12.391 -28.548  1.00 96.29           C  
+ATOM   1806  CB  TYR A 230       6.726 -11.404 -29.407  1.00 96.29           C  
+ATOM   1807  O   TYR A 230       8.729 -13.614 -28.455  1.00 96.29           O  
+ATOM   1808  CG  TYR A 230       7.396 -11.107 -30.726  1.00 96.29           C  
+ATOM   1809  CD1 TYR A 230       7.621  -9.795 -31.136  1.00 96.29           C  
+ATOM   1810  CD2 TYR A 230       7.805 -12.138 -31.566  1.00 96.29           C  
+ATOM   1811  CE1 TYR A 230       8.237  -9.517 -32.352  1.00 96.29           C  
+ATOM   1812  CE2 TYR A 230       8.421 -11.871 -32.784  1.00 96.29           C  
+ATOM   1813  OH  TYR A 230       9.243 -10.290 -34.373  1.00 96.29           O  
+ATOM   1814  CZ  TYR A 230       8.633 -10.560 -33.168  1.00 96.29           C  
+ATOM   1815  N   ASP A 231       9.973 -11.842 -28.903  1.00 94.96           N  
+ATOM   1816  CA  ASP A 231      11.100 -12.687 -29.284  1.00 94.96           C  
+ATOM   1817  C   ASP A 231      12.261 -12.527 -28.304  1.00 94.96           C  
+ATOM   1818  CB  ASP A 231      11.562 -12.358 -30.705  1.00 94.96           C  
+ATOM   1819  O   ASP A 231      13.418 -12.755 -28.663  1.00 94.96           O  
+ATOM   1820  CG  ASP A 231      12.026 -10.921 -30.860  1.00 94.96           C  
+ATOM   1821  OD1 ASP A 231      11.888 -10.128 -29.903  1.00 94.96           O  
+ATOM   1822  OD2 ASP A 231      12.532 -10.576 -31.950  1.00 94.96           O  
+ATOM   1823  N   LEU A 232      11.969 -12.115 -27.044  1.00 94.77           N  
+ATOM   1824  CA  LEU A 232      12.998 -11.916 -26.030  1.00 94.77           C  
+ATOM   1825  C   LEU A 232      12.741 -12.797 -24.813  1.00 94.77           C  
+ATOM   1826  CB  LEU A 232      13.056 -10.445 -25.607  1.00 94.77           C  
+ATOM   1827  O   LEU A 232      11.602 -13.197 -24.559  1.00 94.77           O  
+ATOM   1828  CG  LEU A 232      13.411  -9.438 -26.702  1.00 94.77           C  
+ATOM   1829  CD1 LEU A 232      13.243  -8.013 -26.186  1.00 94.77           C  
+ATOM   1830  CD2 LEU A 232      14.835  -9.668 -27.199  1.00 94.77           C  
+ATOM   1831  N   VAL A 233      13.848 -13.066 -24.093  1.00 93.90           N  
+ATOM   1832  CA  VAL A 233      13.723 -13.786 -22.830  1.00 93.90           C  
+ATOM   1833  C   VAL A 233      14.005 -12.840 -21.665  1.00 93.90           C  
+ATOM   1834  CB  VAL A 233      14.676 -15.001 -22.772  1.00 93.90           C  
+ATOM   1835  O   VAL A 233      14.610 -11.781 -21.850  1.00 93.90           O  
+ATOM   1836  CG1 VAL A 233      14.280 -16.047 -23.813  1.00 93.90           C  
+ATOM   1837  CG2 VAL A 233      16.121 -14.555 -22.981  1.00 93.90           C  
+ATOM   1838  N   LEU A 234      13.600 -13.190 -20.477  1.00 89.44           N  
+ATOM   1839  CA  LEU A 234      13.782 -12.371 -19.283  1.00 89.44           C  
+ATOM   1840  C   LEU A 234      15.256 -12.289 -18.900  1.00 89.44           C  
+ATOM   1841  CB  LEU A 234      12.970 -12.938 -18.116  1.00 89.44           C  
+ATOM   1842  O   LEU A 234      15.997 -13.262 -19.053  1.00 89.44           O  
+ATOM   1843  CG  LEU A 234      11.449 -12.817 -18.226  1.00 89.44           C  
+ATOM   1844  CD1 LEU A 234      10.774 -13.563 -17.080  1.00 89.44           C  
+ATOM   1845  CD2 LEU A 234      11.028 -11.351 -18.238  1.00 89.44           C  
+ATOM   1846  N   ALA A 235      15.596 -11.109 -18.383  1.00 86.58           N  
+ATOM   1847  CA  ALA A 235      16.955 -10.966 -17.867  1.00 86.58           C  
+ATOM   1848  C   ALA A 235      17.177 -11.859 -16.650  1.00 86.58           C  
+ATOM   1849  CB  ALA A 235      17.239  -9.509 -17.513  1.00 86.58           C  
+ATOM   1850  O   ALA A 235      18.249 -12.448 -16.490  1.00 86.58           O  
+ATOM   1851  N   GLU A 236      16.100 -12.070 -15.889  1.00 85.48           N  
+ATOM   1852  CA  GLU A 236      16.125 -12.787 -14.618  1.00 85.48           C  
+ATOM   1853  C   GLU A 236      16.041 -14.296 -14.834  1.00 85.48           C  
+ATOM   1854  CB  GLU A 236      14.980 -12.321 -13.715  1.00 85.48           C  
+ATOM   1855  O   GLU A 236      16.416 -15.075 -13.956  1.00 85.48           O  
+ATOM   1856  CG  GLU A 236      15.028 -10.838 -13.377  1.00 85.48           C  
+ATOM   1857  CD  GLU A 236      14.127  -9.991 -14.262  1.00 85.48           C  
+ATOM   1858  OE1 GLU A 236      13.562  -8.988 -13.770  1.00 85.48           O  
+ATOM   1859  OE2 GLU A 236      13.985 -10.334 -15.457  1.00 85.48           O  
+ATOM   1860  N   ASP A 237      15.472 -14.670 -16.025  1.00 87.03           N  
+ATOM   1861  CA  ASP A 237      15.263 -16.066 -16.396  1.00 87.03           C  
+ATOM   1862  C   ASP A 237      15.387 -16.258 -17.905  1.00 87.03           C  
+ATOM   1863  CB  ASP A 237      13.894 -16.551 -15.915  1.00 87.03           C  
+ATOM   1864  O   ASP A 237      14.455 -15.955 -18.653  1.00 87.03           O  
+ATOM   1865  CG  ASP A 237      13.673 -18.035 -16.151  1.00 87.03           C  
+ATOM   1866  OD1 ASP A 237      14.554 -18.696 -16.743  1.00 87.03           O  
+ATOM   1867  OD2 ASP A 237      12.607 -18.547 -15.746  1.00 87.03           O  
+ATOM   1868  N   GLU A 238      16.515 -16.878 -18.370  1.00 87.29           N  
+ATOM   1869  CA  GLU A 238      16.841 -16.964 -19.790  1.00 87.29           C  
+ATOM   1870  C   GLU A 238      16.011 -18.041 -20.483  1.00 87.29           C  
+ATOM   1871  CB  GLU A 238      18.333 -17.245 -19.984  1.00 87.29           C  
+ATOM   1872  O   GLU A 238      16.070 -18.188 -21.705  1.00 87.29           O  
+ATOM   1873  CG  GLU A 238      19.235 -16.090 -19.572  1.00 87.29           C  
+ATOM   1874  CD  GLU A 238      20.709 -16.358 -19.828  1.00 87.29           C  
+ATOM   1875  OE1 GLU A 238      21.545 -15.467 -19.554  1.00 87.29           O  
+ATOM   1876  OE2 GLU A 238      21.031 -17.469 -20.307  1.00 87.29           O  
+ATOM   1877  N   GLU A 239      15.126 -18.692 -19.784  1.00 90.32           N  
+ATOM   1878  CA  GLU A 239      14.284 -19.734 -20.362  1.00 90.32           C  
+ATOM   1879  C   GLU A 239      12.856 -19.237 -20.573  1.00 90.32           C  
+ATOM   1880  CB  GLU A 239      14.281 -20.980 -19.472  1.00 90.32           C  
+ATOM   1881  O   GLU A 239      12.089 -19.837 -21.328  1.00 90.32           O  
+ATOM   1882  CG  GLU A 239      15.625 -21.690 -19.403  1.00 90.32           C  
+ATOM   1883  CD  GLU A 239      15.568 -23.011 -18.652  1.00 90.32           C  
+ATOM   1884  OE1 GLU A 239      16.527 -23.808 -18.754  1.00 90.32           O  
+ATOM   1885  OE2 GLU A 239      14.555 -23.250 -17.958  1.00 90.32           O  
+ATOM   1886  N   MET A 240      12.585 -18.192 -19.859  1.00 92.48           N  
+ATOM   1887  CA  MET A 240      11.222 -17.668 -19.894  1.00 92.48           C  
+ATOM   1888  C   MET A 240      11.100 -16.539 -20.913  1.00 92.48           C  
+ATOM   1889  CB  MET A 240      10.801 -17.171 -18.510  1.00 92.48           C  
+ATOM   1890  O   MET A 240      11.799 -15.529 -20.814  1.00 92.48           O  
+ATOM   1891  CG  MET A 240       9.367 -16.671 -18.449  1.00 92.48           C  
+ATOM   1892  SD  MET A 240       8.142 -18.034 -18.538  1.00 92.48           S  
+ATOM   1893  CE  MET A 240       6.602 -17.094 -18.350  1.00 92.48           C  
+ATOM   1894  N   ASN A 241      10.171 -16.695 -21.883  1.00 95.61           N  
+ATOM   1895  CA  ASN A 241       9.858 -15.648 -22.850  1.00 95.61           C  
+ATOM   1896  C   ASN A 241       9.134 -14.476 -22.193  1.00 95.61           C  
+ATOM   1897  CB  ASN A 241       9.020 -16.212 -23.999  1.00 95.61           C  
+ATOM   1898  O   ASN A 241       8.247 -14.676 -21.361  1.00 95.61           O  
+ATOM   1899  CG  ASN A 241       8.686 -15.167 -25.046  1.00 95.61           C  
+ATOM   1900  ND2 ASN A 241       9.506 -15.088 -26.087  1.00 95.61           N  
+ATOM   1901  OD1 ASN A 241       7.700 -14.437 -24.919  1.00 95.61           O  
+ATOM   1902  N   ARG A 242       9.505 -13.266 -22.494  1.00 95.35           N  
+ATOM   1903  CA  ARG A 242       9.000 -12.060 -21.844  1.00 95.35           C  
+ATOM   1904  C   ARG A 242       7.511 -11.874 -22.117  1.00 95.35           C  
+ATOM   1905  CB  ARG A 242       9.777 -10.829 -22.316  1.00 95.35           C  
+ATOM   1906  O   ARG A 242       6.767 -11.417 -21.247  1.00 95.35           O  
+ATOM   1907  CG  ARG A 242      11.191 -10.745 -21.764  1.00 95.35           C  
+ATOM   1908  CD  ARG A 242      11.836  -9.400 -22.070  1.00 95.35           C  
+ATOM   1909  NE  ARG A 242      13.183  -9.310 -21.514  1.00 95.35           N  
+ATOM   1910  NH1 ARG A 242      13.380  -7.029 -21.820  1.00 95.35           N  
+ATOM   1911  NH2 ARG A 242      15.103  -8.218 -20.886  1.00 95.35           N  
+ATOM   1912  CZ  ARG A 242      13.886  -8.186 -21.408  1.00 95.35           C  
+ATOM   1913  N   MET A 243       7.025 -12.183 -23.400  1.00 97.06           N  
+ATOM   1914  CA  MET A 243       5.607 -12.076 -23.733  1.00 97.06           C  
+ATOM   1915  C   MET A 243       4.780 -13.064 -22.919  1.00 97.06           C  
+ATOM   1916  CB  MET A 243       5.386 -12.316 -25.228  1.00 97.06           C  
+ATOM   1917  O   MET A 243       3.716 -12.714 -22.404  1.00 97.06           O  
+ATOM   1918  CG  MET A 243       3.931 -12.215 -25.657  1.00 97.06           C  
+ATOM   1919  SD  MET A 243       3.227 -10.546 -25.363  1.00 97.06           S  
+ATOM   1920  CE  MET A 243       4.059  -9.612 -26.678  1.00 97.06           C  
+ATOM   1921  N   HIS A 244       5.226 -14.238 -22.741  1.00 96.66           N  
+ATOM   1922  CA  HIS A 244       4.530 -15.241 -21.944  1.00 96.66           C  
+ATOM   1923  C   HIS A 244       4.487 -14.844 -20.473  1.00 96.66           C  
+ATOM   1924  CB  HIS A 244       5.199 -16.608 -22.100  1.00 96.66           C  
+ATOM   1925  O   HIS A 244       3.473 -15.045 -19.800  1.00 96.66           O  
+ATOM   1926  CG  HIS A 244       4.967 -17.242 -23.434  1.00 96.66           C  
+ATOM   1927  CD2 HIS A 244       3.826 -17.448 -24.134  1.00 96.66           C  
+ATOM   1928  ND1 HIS A 244       5.989 -17.754 -24.203  1.00 96.66           N  
+ATOM   1929  CE1 HIS A 244       5.486 -18.248 -25.322  1.00 96.66           C  
+ATOM   1930  NE2 HIS A 244       4.176 -18.075 -25.305  1.00 96.66           N  
+ATOM   1931  N   GLU A 245       5.617 -14.346 -19.997  1.00 95.44           N  
+ATOM   1932  CA  GLU A 245       5.634 -13.822 -18.635  1.00 95.44           C  
+ATOM   1933  C   GLU A 245       4.574 -12.740 -18.447  1.00 95.44           C  
+ATOM   1934  CB  GLU A 245       7.018 -13.268 -18.289  1.00 95.44           C  
+ATOM   1935  O   GLU A 245       3.859 -12.732 -17.443  1.00 95.44           O  
+ATOM   1936  CG  GLU A 245       7.100 -12.636 -16.907  1.00 95.44           C  
+ATOM   1937  CD  GLU A 245       6.925 -13.639 -15.778  1.00 95.44           C  
+ATOM   1938  OE1 GLU A 245       6.803 -13.218 -14.605  1.00 95.44           O  
+ATOM   1939  OE2 GLU A 245       6.911 -14.857 -16.068  1.00 95.44           O  
+ATOM   1940  N   SER A 246       4.487 -11.841 -19.314  1.00 97.36           N  
+ATOM   1941  CA  SER A 246       3.499 -10.768 -19.269  1.00 97.36           C  
+ATOM   1942  C   SER A 246       2.079 -11.325 -19.268  1.00 97.36           C  
+ATOM   1943  CB  SER A 246       3.682  -9.819 -20.454  1.00 97.36           C  
+ATOM   1944  O   SER A 246       1.220 -10.847 -18.523  1.00 97.36           O  
+ATOM   1945  OG  SER A 246       2.853  -8.677 -20.317  1.00 97.36           O  
+ATOM   1946  N   MET A 247       1.830 -12.351 -20.019  1.00 97.81           N  
+ATOM   1947  CA  MET A 247       0.515 -12.983 -20.070  1.00 97.81           C  
+ATOM   1948  C   MET A 247       0.171 -13.631 -18.733  1.00 97.81           C  
+ATOM   1949  CB  MET A 247       0.464 -14.027 -21.187  1.00 97.81           C  
+ATOM   1950  O   MET A 247      -0.958 -13.512 -18.253  1.00 97.81           O  
+ATOM   1951  CG  MET A 247       0.450 -13.430 -22.584  1.00 97.81           C  
+ATOM   1952  SD  MET A 247       0.378 -14.712 -23.896  1.00 97.81           S  
+ATOM   1953  CE  MET A 247      -1.335 -15.277 -23.697  1.00 97.81           C  
+ATOM   1954  N   LYS A 248       1.159 -14.345 -18.176  1.00 95.97           N  
+ATOM   1955  CA  LYS A 248       0.946 -14.957 -16.868  1.00 95.97           C  
+ATOM   1956  C   LYS A 248       0.603 -13.904 -15.817  1.00 95.97           C  
+ATOM   1957  CB  LYS A 248       2.184 -15.744 -16.435  1.00 95.97           C  
+ATOM   1958  O   LYS A 248      -0.313 -14.096 -15.015  1.00 95.97           O  
+ATOM   1959  CG  LYS A 248       2.370 -17.061 -17.175  1.00 95.97           C  
+ATOM   1960  CD  LYS A 248       3.586 -17.822 -16.664  1.00 95.97           C  
+ATOM   1961  CE  LYS A 248       3.812 -19.108 -17.448  1.00 95.97           C  
+ATOM   1962  NZ  LYS A 248       5.054 -19.813 -17.010  1.00 95.97           N  
+ATOM   1963  N   LEU A 249       1.305 -12.850 -15.947  1.00 95.47           N  
+ATOM   1964  CA  LEU A 249       1.077 -11.758 -15.007  1.00 95.47           C  
+ATOM   1965  C   LEU A 249      -0.311 -11.157 -15.200  1.00 95.47           C  
+ATOM   1966  CB  LEU A 249       2.144 -10.673 -15.176  1.00 95.47           C  
+ATOM   1967  O   LEU A 249      -1.043 -10.949 -14.229  1.00 95.47           O  
+ATOM   1968  CG  LEU A 249       2.096  -9.514 -14.180  1.00 95.47           C  
+ATOM   1969  CD1 LEU A 249       2.290 -10.029 -12.757  1.00 95.47           C  
+ATOM   1970  CD2 LEU A 249       3.150  -8.468 -14.524  1.00 95.47           C  
+ATOM   1971  N   PHE A 250      -0.627 -10.896 -16.351  1.00 97.41           N  
+ATOM   1972  CA  PHE A 250      -1.936 -10.332 -16.657  1.00 97.41           C  
+ATOM   1973  C   PHE A 250      -3.049 -11.259 -16.184  1.00 97.41           C  
+ATOM   1974  CB  PHE A 250      -2.072 -10.072 -18.161  1.00 97.41           C  
+ATOM   1975  O   PHE A 250      -4.039 -10.805 -15.606  1.00 97.41           O  
+ATOM   1976  CG  PHE A 250      -3.385  -9.450 -18.552  1.00 97.41           C  
+ATOM   1977  CD1 PHE A 250      -4.339 -10.184 -19.246  1.00 97.41           C  
+ATOM   1978  CD2 PHE A 250      -3.666  -8.129 -18.226  1.00 97.41           C  
+ATOM   1979  CE1 PHE A 250      -5.555  -9.611 -19.610  1.00 97.41           C  
+ATOM   1980  CE2 PHE A 250      -4.879  -7.549 -18.587  1.00 97.41           C  
+ATOM   1981  CZ  PHE A 250      -5.822  -8.292 -19.279  1.00 97.41           C  
+ATOM   1982  N   ASP A 251      -2.944 -12.538 -16.449  1.00 96.88           N  
+ATOM   1983  CA  ASP A 251      -3.927 -13.525 -16.013  1.00 96.88           C  
+ATOM   1984  C   ASP A 251      -4.146 -13.451 -14.503  1.00 96.88           C  
+ATOM   1985  CB  ASP A 251      -3.485 -14.934 -16.412  1.00 96.88           C  
+ATOM   1986  O   ASP A 251      -5.286 -13.482 -14.034  1.00 96.88           O  
+ATOM   1987  CG  ASP A 251      -4.531 -15.992 -16.105  1.00 96.88           C  
+ATOM   1988  OD1 ASP A 251      -5.723 -15.780 -16.417  1.00 96.88           O  
+ATOM   1989  OD2 ASP A 251      -4.160 -17.046 -15.544  1.00 96.88           O  
+ATOM   1990  N   SER A 252      -3.134 -13.273 -13.736  1.00 94.07           N  
+ATOM   1991  CA  SER A 252      -3.205 -13.221 -12.279  1.00 94.07           C  
+ATOM   1992  C   SER A 252      -3.863 -11.930 -11.804  1.00 94.07           C  
+ATOM   1993  CB  SER A 252      -1.808 -13.345 -11.670  1.00 94.07           C  
+ATOM   1994  O   SER A 252      -4.515 -11.908 -10.758  1.00 94.07           O  
+ATOM   1995  OG  SER A 252      -1.065 -12.154 -11.867  1.00 94.07           O  
+ATOM   1996  N   ILE A 253      -3.724 -10.901 -12.573  1.00 94.08           N  
+ATOM   1997  CA  ILE A 253      -4.245  -9.597 -12.176  1.00 94.08           C  
+ATOM   1998  C   ILE A 253      -5.716  -9.488 -12.568  1.00 94.08           C  
+ATOM   1999  CB  ILE A 253      -3.433  -8.447 -12.813  1.00 94.08           C  
+ATOM   2000  O   ILE A 253      -6.565  -9.161 -11.735  1.00 94.08           O  
+ATOM   2001  CG1 ILE A 253      -1.997  -8.446 -12.276  1.00 94.08           C  
+ATOM   2002  CG2 ILE A 253      -4.115  -7.100 -12.559  1.00 94.08           C  
+ATOM   2003  CD1 ILE A 253      -1.897  -8.196 -10.777  1.00 94.08           C  
+ATOM   2004  N   CYS A 254      -5.964  -9.813 -13.753  1.00 93.65           N  
+ATOM   2005  CA  CYS A 254      -7.306  -9.604 -14.285  1.00 93.65           C  
+ATOM   2006  C   CYS A 254      -8.314 -10.516 -13.597  1.00 93.65           C  
+ATOM   2007  CB  CYS A 254      -7.329  -9.850 -15.794  1.00 93.65           C  
+ATOM   2008  O   CYS A 254      -9.505 -10.203 -13.543  1.00 93.65           O  
+ATOM   2009  SG  CYS A 254      -7.149 -11.588 -16.250  1.00 93.65           S  
+ATOM   2010  N   ASN A 255      -7.837 -11.546 -13.022  1.00 92.68           N  
+ATOM   2011  CA  ASN A 255      -8.738 -12.513 -12.402  1.00 92.68           C  
+ATOM   2012  C   ASN A 255      -8.587 -12.526 -10.883  1.00 92.68           C  
+ATOM   2013  CB  ASN A 255      -8.496 -13.913 -12.971  1.00 92.68           C  
+ATOM   2014  O   ASN A 255      -9.148 -13.390 -10.207  1.00 92.68           O  
+ATOM   2015  CG  ASN A 255      -8.806 -14.002 -14.452  1.00 92.68           C  
+ATOM   2016  ND2 ASN A 255      -7.857 -14.514 -15.227  1.00 92.68           N  
+ATOM   2017  OD1 ASN A 255      -9.889 -13.614 -14.897  1.00 92.68           O  
+ATOM   2018  N   ASN A 256      -7.969 -11.541 -10.365  1.00 89.38           N  
+ATOM   2019  CA  ASN A 256      -7.748 -11.395  -8.930  1.00 89.38           C  
+ATOM   2020  C   ASN A 256      -8.981 -10.833  -8.227  1.00 89.38           C  
+ATOM   2021  CB  ASN A 256      -6.533 -10.505  -8.662  1.00 89.38           C  
+ATOM   2022  O   ASN A 256      -9.624  -9.912  -8.734  1.00 89.38           O  
+ATOM   2023  CG  ASN A 256      -6.092 -10.540  -7.212  1.00 89.38           C  
+ATOM   2024  ND2 ASN A 256      -4.828 -10.875  -6.984  1.00 89.38           N  
+ATOM   2025  OD1 ASN A 256      -6.882 -10.269  -6.303  1.00 89.38           O  
+ATOM   2026  N   LYS A 257      -9.250 -11.323  -6.978  1.00 86.75           N  
+ATOM   2027  CA  LYS A 257     -10.458 -10.975  -6.235  1.00 86.75           C  
+ATOM   2028  C   LYS A 257     -10.440  -9.509  -5.811  1.00 86.75           C  
+ATOM   2029  CB  LYS A 257     -10.609 -11.874  -5.006  1.00 86.75           C  
+ATOM   2030  O   LYS A 257     -11.494  -8.898  -5.627  1.00 86.75           O  
+ATOM   2031  CG  LYS A 257     -10.934 -13.324  -5.336  1.00 86.75           C  
+ATOM   2032  CD  LYS A 257     -11.155 -14.148  -4.074  1.00 86.75           C  
+ATOM   2033  CE  LYS A 257     -11.453 -15.604  -4.402  1.00 86.75           C  
+ATOM   2034  NZ  LYS A 257     -11.631 -16.425  -3.167  1.00 86.75           N  
+ATOM   2035  N   TRP A 258      -9.177  -8.983  -5.687  1.00 84.42           N  
+ATOM   2036  CA  TRP A 258      -9.052  -7.589  -5.275  1.00 84.42           C  
+ATOM   2037  C   TRP A 258      -9.575  -6.652  -6.359  1.00 84.42           C  
+ATOM   2038  CB  TRP A 258      -7.594  -7.252  -4.952  1.00 84.42           C  
+ATOM   2039  O   TRP A 258      -9.975  -5.522  -6.071  1.00 84.42           O  
+ATOM   2040  CG  TRP A 258      -7.170  -7.647  -3.569  1.00 84.42           C  
+ATOM   2041  CD1 TRP A 258      -7.749  -8.592  -2.768  1.00 84.42           C  
+ATOM   2042  CD2 TRP A 258      -6.078  -7.102  -2.822  1.00 84.42           C  
+ATOM   2043  CE2 TRP A 258      -6.052  -7.765  -1.575  1.00 84.42           C  
+ATOM   2044  CE3 TRP A 258      -5.117  -6.117  -3.087  1.00 84.42           C  
+ATOM   2045  NE1 TRP A 258      -7.081  -8.668  -1.568  1.00 84.42           N  
+ATOM   2046  CH2 TRP A 258      -4.173  -6.506  -0.879  1.00 84.42           C  
+ATOM   2047  CZ2 TRP A 258      -5.102  -7.474  -0.594  1.00 84.42           C  
+ATOM   2048  CZ3 TRP A 258      -4.172  -5.828  -2.109  1.00 84.42           C  
+ATOM   2049  N   PHE A 259      -9.669  -7.151  -7.682  1.00 88.64           N  
+ATOM   2050  CA  PHE A 259      -9.960  -6.259  -8.798  1.00 88.64           C  
+ATOM   2051  C   PHE A 259     -11.269  -6.648  -9.475  1.00 88.64           C  
+ATOM   2052  CB  PHE A 259      -8.816  -6.280  -9.816  1.00 88.64           C  
+ATOM   2053  O   PHE A 259     -11.443  -6.425 -10.675  1.00 88.64           O  
+ATOM   2054  CG  PHE A 259      -7.485  -5.874  -9.242  1.00 88.64           C  
+ATOM   2055  CD1 PHE A 259      -7.343  -4.668  -8.566  1.00 88.64           C  
+ATOM   2056  CD2 PHE A 259      -6.376  -6.698  -9.380  1.00 88.64           C  
+ATOM   2057  CE1 PHE A 259      -6.112  -4.290  -8.034  1.00 88.64           C  
+ATOM   2058  CE2 PHE A 259      -5.143  -6.327  -8.850  1.00 88.64           C  
+ATOM   2059  CZ  PHE A 259      -5.013  -5.122  -8.179  1.00 88.64           C  
+ATOM   2060  N   THR A 260     -12.129  -7.199  -8.665  1.00 85.13           N  
+ATOM   2061  CA  THR A 260     -13.385  -7.684  -9.225  1.00 85.13           C  
+ATOM   2062  C   THR A 260     -14.189  -6.535  -9.827  1.00 85.13           C  
+ATOM   2063  CB  THR A 260     -14.232  -8.402  -8.158  1.00 85.13           C  
+ATOM   2064  O   THR A 260     -14.731  -6.659 -10.927  1.00 85.13           O  
+ATOM   2065  CG2 THR A 260     -15.518  -8.959  -8.759  1.00 85.13           C  
+ATOM   2066  OG1 THR A 260     -13.472  -9.481  -7.600  1.00 85.13           O  
+ATOM   2067  N   ASP A 261     -14.157  -5.411  -9.191  1.00 81.38           N  
+ATOM   2068  CA  ASP A 261     -14.966  -4.280  -9.634  1.00 81.38           C  
+ATOM   2069  C   ASP A 261     -14.089  -3.169 -10.208  1.00 81.38           C  
+ATOM   2070  CB  ASP A 261     -15.811  -3.739  -8.479  1.00 81.38           C  
+ATOM   2071  O   ASP A 261     -14.562  -2.054 -10.439  1.00 81.38           O  
+ATOM   2072  CG  ASP A 261     -16.835  -4.740  -7.974  1.00 81.38           C  
+ATOM   2073  OD1 ASP A 261     -17.431  -5.470  -8.795  1.00 81.38           O  
+ATOM   2074  OD2 ASP A 261     -17.049  -4.797  -6.743  1.00 81.38           O  
+ATOM   2075  N   THR A 262     -12.822  -3.536 -10.480  1.00 87.82           N  
+ATOM   2076  CA  THR A 262     -11.877  -2.536 -10.965  1.00 87.82           C  
+ATOM   2077  C   THR A 262     -11.809  -2.551 -12.489  1.00 87.82           C  
+ATOM   2078  CB  THR A 262     -10.470  -2.768 -10.383  1.00 87.82           C  
+ATOM   2079  O   THR A 262     -11.755  -3.619 -13.103  1.00 87.82           O  
+ATOM   2080  CG2 THR A 262      -9.509  -1.665 -10.812  1.00 87.82           C  
+ATOM   2081  OG1 THR A 262     -10.549  -2.789  -8.953  1.00 87.82           O  
+ATOM   2082  N   SER A 263     -11.826  -1.324 -13.145  1.00 87.78           N  
+ATOM   2083  CA  SER A 263     -11.669  -1.219 -14.592  1.00 87.78           C  
+ATOM   2084  C   SER A 263     -10.232  -1.507 -15.014  1.00 87.78           C  
+ATOM   2085  CB  SER A 263     -12.084   0.170 -15.078  1.00 87.78           C  
+ATOM   2086  O   SER A 263      -9.287  -1.033 -14.381  1.00 87.78           O  
+ATOM   2087  OG  SER A 263     -13.447   0.420 -14.782  1.00 87.78           O  
+ATOM   2088  N   ILE A 264     -10.162  -2.342 -16.083  1.00 92.91           N  
+ATOM   2089  CA  ILE A 264      -8.822  -2.680 -16.550  1.00 92.91           C  
+ATOM   2090  C   ILE A 264      -8.631  -2.176 -17.979  1.00 92.91           C  
+ATOM   2091  CB  ILE A 264      -8.568  -4.203 -16.481  1.00 92.91           C  
+ATOM   2092  O   ILE A 264      -9.448  -2.459 -18.858  1.00 92.91           O  
+ATOM   2093  CG1 ILE A 264      -8.673  -4.697 -15.034  1.00 92.91           C  
+ATOM   2094  CG2 ILE A 264      -7.202  -4.550 -17.080  1.00 92.91           C  
+ATOM   2095  CD1 ILE A 264      -8.448  -6.194 -14.873  1.00 92.91           C  
+ATOM   2096  N   ILE A 265      -7.558  -1.399 -18.126  1.00 95.01           N  
+ATOM   2097  CA  ILE A 265      -7.148  -0.901 -19.434  1.00 95.01           C  
+ATOM   2098  C   ILE A 265      -5.847  -1.578 -19.860  1.00 95.01           C  
+ATOM   2099  CB  ILE A 265      -6.975   0.635 -19.426  1.00 95.01           C  
+ATOM   2100  O   ILE A 265      -4.853  -1.541 -19.130  1.00 95.01           O  
+ATOM   2101  CG1 ILE A 265      -8.265   1.315 -18.954  1.00 95.01           C  
+ATOM   2102  CG2 ILE A 265      -6.566   1.139 -20.813  1.00 95.01           C  
+ATOM   2103  CD1 ILE A 265      -8.042   2.652 -18.261  1.00 95.01           C  
+ATOM   2104  N   LEU A 266      -5.909  -2.165 -21.010  1.00 96.66           N  
+ATOM   2105  CA  LEU A 266      -4.748  -2.891 -21.513  1.00 96.66           C  
+ATOM   2106  C   LEU A 266      -4.003  -2.068 -22.558  1.00 96.66           C  
+ATOM   2107  CB  LEU A 266      -5.174  -4.234 -22.112  1.00 96.66           C  
+ATOM   2108  O   LEU A 266      -4.541  -1.786 -23.631  1.00 96.66           O  
+ATOM   2109  CG  LEU A 266      -4.055  -5.109 -22.679  1.00 96.66           C  
+ATOM   2110  CD1 LEU A 266      -3.084  -5.510 -21.573  1.00 96.66           C  
+ATOM   2111  CD2 LEU A 266      -4.634  -6.343 -23.362  1.00 96.66           C  
+ATOM   2112  N   PHE A 267      -2.731  -1.714 -22.198  1.00 97.57           N  
+ATOM   2113  CA  PHE A 267      -1.865  -1.017 -23.141  1.00 97.57           C  
+ATOM   2114  C   PHE A 267      -0.921  -1.993 -23.833  1.00 97.57           C  
+ATOM   2115  CB  PHE A 267      -1.060   0.075 -22.428  1.00 97.57           C  
+ATOM   2116  O   PHE A 267      -0.086  -2.625 -23.182  1.00 97.57           O  
+ATOM   2117  CG  PHE A 267      -1.849   1.325 -22.149  1.00 97.57           C  
+ATOM   2118  CD1 PHE A 267      -3.220   1.363 -22.371  1.00 97.57           C  
+ATOM   2119  CD2 PHE A 267      -1.219   2.464 -21.664  1.00 97.57           C  
+ATOM   2120  CE1 PHE A 267      -3.953   2.519 -22.113  1.00 97.57           C  
+ATOM   2121  CE2 PHE A 267      -1.944   3.623 -21.404  1.00 97.57           C  
+ATOM   2122  CZ  PHE A 267      -3.311   3.649 -21.630  1.00 97.57           C  
+ATOM   2123  N   LEU A 268      -1.173  -2.139 -25.115  1.00 97.99           N  
+ATOM   2124  CA  LEU A 268      -0.194  -2.848 -25.932  1.00 97.99           C  
+ATOM   2125  C   LEU A 268       0.825  -1.879 -26.522  1.00 97.99           C  
+ATOM   2126  CB  LEU A 268      -0.891  -3.620 -27.056  1.00 97.99           C  
+ATOM   2127  O   LEU A 268       0.603  -1.314 -27.596  1.00 97.99           O  
+ATOM   2128  CG  LEU A 268      -1.916  -4.669 -26.623  1.00 97.99           C  
+ATOM   2129  CD1 LEU A 268      -2.576  -5.300 -27.844  1.00 97.99           C  
+ATOM   2130  CD2 LEU A 268      -1.257  -5.734 -25.754  1.00 97.99           C  
+ATOM   2131  N   ASN A 269       1.981  -1.724 -25.744  1.00 97.62           N  
+ATOM   2132  CA  ASN A 269       2.935  -0.631 -25.900  1.00 97.62           C  
+ATOM   2133  C   ASN A 269       4.089  -1.022 -26.820  1.00 97.62           C  
+ATOM   2134  CB  ASN A 269       3.470  -0.186 -24.538  1.00 97.62           C  
+ATOM   2135  O   ASN A 269       4.213  -2.185 -27.207  1.00 97.62           O  
+ATOM   2136  CG  ASN A 269       4.194   1.145 -24.601  1.00 97.62           C  
+ATOM   2137  ND2 ASN A 269       5.280   1.266 -23.846  1.00 97.62           N  
+ATOM   2138  OD1 ASN A 269       3.780   2.057 -25.322  1.00 97.62           O  
+ATOM   2139  N   LYS A 270       4.758  -0.066 -27.317  1.00 96.40           N  
+ATOM   2140  CA  LYS A 270       5.919  -0.185 -28.195  1.00 96.40           C  
+ATOM   2141  C   LYS A 270       5.515  -0.705 -29.572  1.00 96.40           C  
+ATOM   2142  CB  LYS A 270       6.970  -1.107 -27.575  1.00 96.40           C  
+ATOM   2143  O   LYS A 270       6.200  -1.554 -30.146  1.00 96.40           O  
+ATOM   2144  CG  LYS A 270       7.514  -0.616 -26.241  1.00 96.40           C  
+ATOM   2145  CD  LYS A 270       8.661  -1.490 -25.750  1.00 96.40           C  
+ATOM   2146  CE  LYS A 270       9.150  -1.052 -24.376  1.00 96.40           C  
+ATOM   2147  NZ  LYS A 270      10.335  -1.844 -23.931  1.00 96.40           N  
+ATOM   2148  N   LYS A 271       4.423  -0.213 -30.013  1.00 96.20           N  
+ATOM   2149  CA  LYS A 271       3.912  -0.666 -31.304  1.00 96.20           C  
+ATOM   2150  C   LYS A 271       4.858  -0.277 -32.436  1.00 96.20           C  
+ATOM   2151  CB  LYS A 271       2.520  -0.090 -31.563  1.00 96.20           C  
+ATOM   2152  O   LYS A 271       4.951  -0.980 -33.445  1.00 96.20           O  
+ATOM   2153  CG  LYS A 271       2.509   1.409 -31.826  1.00 96.20           C  
+ATOM   2154  CD  LYS A 271       1.113   1.905 -32.179  1.00 96.20           C  
+ATOM   2155  CE  LYS A 271       1.115   3.389 -32.519  1.00 96.20           C  
+ATOM   2156  NZ  LYS A 271      -0.243   3.868 -32.917  1.00 96.20           N  
+ATOM   2157  N   ASP A 272       5.592   0.801 -32.268  1.00 94.80           N  
+ATOM   2158  CA  ASP A 272       6.544   1.259 -33.276  1.00 94.80           C  
+ATOM   2159  C   ASP A 272       7.679   0.253 -33.457  1.00 94.80           C  
+ATOM   2160  CB  ASP A 272       7.111   2.628 -32.896  1.00 94.80           C  
+ATOM   2161  O   ASP A 272       8.048  -0.078 -34.585  1.00 94.80           O  
+ATOM   2162  CG  ASP A 272       7.705   2.657 -31.499  1.00 94.80           C  
+ATOM   2163  OD1 ASP A 272       7.108   2.072 -30.570  1.00 94.80           O  
+ATOM   2164  OD2 ASP A 272       8.779   3.273 -31.324  1.00 94.80           O  
+ATOM   2165  N   LEU A 273       8.140  -0.230 -32.295  1.00 94.98           N  
+ATOM   2166  CA  LEU A 273       9.231  -1.197 -32.346  1.00 94.98           C  
+ATOM   2167  C   LEU A 273       8.739  -2.544 -32.864  1.00 94.98           C  
+ATOM   2168  CB  LEU A 273       9.859  -1.368 -30.960  1.00 94.98           C  
+ATOM   2169  O   LEU A 273       9.443  -3.218 -33.619  1.00 94.98           O  
+ATOM   2170  CG  LEU A 273      10.535  -0.132 -30.365  1.00 94.98           C  
+ATOM   2171  CD1 LEU A 273      11.095  -0.448 -28.982  1.00 94.98           C  
+ATOM   2172  CD2 LEU A 273      11.636   0.374 -31.291  1.00 94.98           C  
+ATOM   2173  N   PHE A 274       7.616  -2.874 -32.492  1.00 96.98           N  
+ATOM   2174  CA  PHE A 274       7.018  -4.125 -32.945  1.00 96.98           C  
+ATOM   2175  C   PHE A 274       6.842  -4.123 -34.459  1.00 96.98           C  
+ATOM   2176  CB  PHE A 274       5.668  -4.356 -32.260  1.00 96.98           C  
+ATOM   2177  O   PHE A 274       7.148  -5.113 -35.126  1.00 96.98           O  
+ATOM   2178  CG  PHE A 274       4.970  -5.614 -32.702  1.00 96.98           C  
+ATOM   2179  CD1 PHE A 274       3.799  -5.550 -33.448  1.00 96.98           C  
+ATOM   2180  CD2 PHE A 274       5.485  -6.860 -32.372  1.00 96.98           C  
+ATOM   2181  CE1 PHE A 274       3.151  -6.713 -33.860  1.00 96.98           C  
+ATOM   2182  CE2 PHE A 274       4.843  -8.027 -32.779  1.00 96.98           C  
+ATOM   2183  CZ  PHE A 274       3.676  -7.950 -33.522  1.00 96.98           C  
+ATOM   2184  N   GLU A 275       6.349  -3.011 -34.970  1.00 96.42           N  
+ATOM   2185  CA  GLU A 275       6.101  -2.872 -36.402  1.00 96.42           C  
+ATOM   2186  C   GLU A 275       7.368  -3.138 -37.210  1.00 96.42           C  
+ATOM   2187  CB  GLU A 275       5.558  -1.476 -36.720  1.00 96.42           C  
+ATOM   2188  O   GLU A 275       7.322  -3.805 -38.245  1.00 96.42           O  
+ATOM   2189  CG  GLU A 275       5.099  -1.309 -38.161  1.00 96.42           C  
+ATOM   2190  CD  GLU A 275       4.341  -0.013 -38.403  1.00 96.42           C  
+ATOM   2191  OE1 GLU A 275       3.717   0.133 -39.479  1.00 96.42           O  
+ATOM   2192  OE2 GLU A 275       4.373   0.863 -37.511  1.00 96.42           O  
+ATOM   2193  N   GLU A 276       8.466  -2.716 -36.743  1.00 93.84           N  
+ATOM   2194  CA  GLU A 276       9.737  -2.903 -37.436  1.00 93.84           C  
+ATOM   2195  C   GLU A 276      10.278  -4.314 -37.226  1.00 93.84           C  
+ATOM   2196  CB  GLU A 276      10.763  -1.870 -36.965  1.00 93.84           C  
+ATOM   2197  O   GLU A 276      10.758  -4.947 -38.168  1.00 93.84           O  
+ATOM   2198  CG  GLU A 276      10.438  -0.444 -37.385  1.00 93.84           C  
+ATOM   2199  CD  GLU A 276      10.316  -0.275 -38.891  1.00 93.84           C  
+ATOM   2200  OE1 GLU A 276       9.327   0.336 -39.355  1.00 93.84           O  
+ATOM   2201  OE2 GLU A 276      11.217  -0.758 -39.613  1.00 93.84           O  
+ATOM   2202  N   LYS A 277      10.087  -4.817 -36.120  1.00 94.11           N  
+ATOM   2203  CA  LYS A 277      10.668  -6.094 -35.718  1.00 94.11           C  
+ATOM   2204  C   LYS A 277       9.949  -7.261 -36.389  1.00 94.11           C  
+ATOM   2205  CB  LYS A 277      10.617  -6.252 -34.197  1.00 94.11           C  
+ATOM   2206  O   LYS A 277      10.579  -8.252 -36.765  1.00 94.11           O  
+ATOM   2207  CG  LYS A 277      11.481  -7.385 -33.663  1.00 94.11           C  
+ATOM   2208  CD  LYS A 277      11.545  -7.370 -32.141  1.00 94.11           C  
+ATOM   2209  CE  LYS A 277      12.466  -8.459 -31.609  1.00 94.11           C  
+ATOM   2210  NZ  LYS A 277      12.572  -8.416 -30.120  1.00 94.11           N  
+ATOM   2211  N   ILE A 278       8.682  -7.182 -36.571  1.00 95.68           N  
+ATOM   2212  CA  ILE A 278       7.877  -8.275 -37.107  1.00 95.68           C  
+ATOM   2213  C   ILE A 278       8.244  -8.517 -38.569  1.00 95.68           C  
+ATOM   2214  CB  ILE A 278       6.366  -7.981 -36.976  1.00 95.68           C  
+ATOM   2215  O   ILE A 278       8.017  -9.607 -39.101  1.00 95.68           O  
+ATOM   2216  CG1 ILE A 278       5.554  -9.270 -37.149  1.00 95.68           C  
+ATOM   2217  CG2 ILE A 278       5.931  -6.920 -37.991  1.00 95.68           C  
+ATOM   2218  CD1 ILE A 278       5.841 -10.329 -36.093  1.00 95.68           C  
+ATOM   2219  N   LYS A 279       8.884  -7.555 -39.218  1.00 94.00           N  
+ATOM   2220  CA  LYS A 279       9.349  -7.708 -40.593  1.00 94.00           C  
+ATOM   2221  C   LYS A 279      10.545  -8.652 -40.667  1.00 94.00           C  
+ATOM   2222  CB  LYS A 279       9.717  -6.348 -41.190  1.00 94.00           C  
+ATOM   2223  O   LYS A 279      10.768  -9.301 -41.692  1.00 94.00           O  
+ATOM   2224  CG  LYS A 279       8.545  -5.385 -41.306  1.00 94.00           C  
+ATOM   2225  CD  LYS A 279       8.986  -4.029 -41.840  1.00 94.00           C  
+ATOM   2226  CE  LYS A 279       7.831  -3.037 -41.872  1.00 94.00           C  
+ATOM   2227  NZ  LYS A 279       8.278  -1.681 -42.313  1.00 94.00           N  
+ATOM   2228  N   LYS A 280      11.207  -8.848 -39.567  1.00 91.58           N  
+ATOM   2229  CA  LYS A 280      12.457  -9.602 -39.572  1.00 91.58           C  
+ATOM   2230  C   LYS A 280      12.334 -10.874 -38.737  1.00 91.58           C  
+ATOM   2231  CB  LYS A 280      13.606  -8.740 -39.047  1.00 91.58           C  
+ATOM   2232  O   LYS A 280      13.020 -11.864 -39.000  1.00 91.58           O  
+ATOM   2233  CG  LYS A 280      13.840  -7.467 -39.848  1.00 91.58           C  
+ATOM   2234  CD  LYS A 280      14.929  -6.605 -39.222  1.00 91.58           C  
+ATOM   2235  CE  LYS A 280      15.086  -5.280 -39.956  1.00 91.58           C  
+ATOM   2236  NZ  LYS A 280      16.129  -4.417 -39.324  1.00 91.58           N  
+ATOM   2237  N   SER A 281      11.521 -10.857 -37.704  1.00 93.24           N  
+ATOM   2238  CA  SER A 281      11.334 -11.969 -36.777  1.00 93.24           C  
+ATOM   2239  C   SER A 281       9.868 -12.381 -36.698  1.00 93.24           C  
+ATOM   2240  CB  SER A 281      11.844 -11.597 -35.384  1.00 93.24           C  
+ATOM   2241  O   SER A 281       9.018 -11.595 -36.275  1.00 93.24           O  
+ATOM   2242  OG  SER A 281      11.735 -12.699 -34.499  1.00 93.24           O  
+ATOM   2243  N   PRO A 282       9.632 -13.688 -37.141  1.00 94.97           N  
+ATOM   2244  CA  PRO A 282       8.238 -14.136 -37.196  1.00 94.97           C  
+ATOM   2245  C   PRO A 282       7.618 -14.308 -35.812  1.00 94.97           C  
+ATOM   2246  CB  PRO A 282       8.328 -15.479 -37.926  1.00 94.97           C  
+ATOM   2247  O   PRO A 282       8.323 -14.631 -34.852  1.00 94.97           O  
+ATOM   2248  CG  PRO A 282       9.720 -15.959 -37.672  1.00 94.97           C  
+ATOM   2249  CD  PRO A 282      10.622 -14.764 -37.549  1.00 94.97           C  
+ATOM   2250  N   LEU A 283       6.308 -14.151 -35.727  1.00 96.79           N  
+ATOM   2251  CA  LEU A 283       5.577 -14.273 -34.470  1.00 96.79           C  
+ATOM   2252  C   LEU A 283       5.590 -15.714 -33.971  1.00 96.79           C  
+ATOM   2253  CB  LEU A 283       4.134 -13.792 -34.640  1.00 96.79           C  
+ATOM   2254  O   LEU A 283       5.368 -15.967 -32.785  1.00 96.79           O  
+ATOM   2255  CG  LEU A 283       3.309 -13.656 -33.359  1.00 96.79           C  
+ATOM   2256  CD1 LEU A 283       3.948 -12.634 -32.424  1.00 96.79           C  
+ATOM   2257  CD2 LEU A 283       1.872 -13.264 -33.687  1.00 96.79           C  
+ATOM   2258  N   THR A 284       5.817 -16.663 -34.836  1.00 96.07           N  
+ATOM   2259  CA  THR A 284       5.795 -18.087 -34.521  1.00 96.07           C  
+ATOM   2260  C   THR A 284       6.875 -18.432 -33.500  1.00 96.07           C  
+ATOM   2261  CB  THR A 284       5.989 -18.943 -35.786  1.00 96.07           C  
+ATOM   2262  O   THR A 284       6.800 -19.466 -32.833  1.00 96.07           O  
+ATOM   2263  CG2 THR A 284       4.765 -18.868 -36.693  1.00 96.07           C  
+ATOM   2264  OG1 THR A 284       7.133 -18.468 -36.506  1.00 96.07           O  
+ATOM   2265  N   ILE A 285       7.792 -17.571 -33.288  1.00 93.94           N  
+ATOM   2266  CA  ILE A 285       8.818 -17.769 -32.269  1.00 93.94           C  
+ATOM   2267  C   ILE A 285       8.169 -17.818 -30.888  1.00 93.94           C  
+ATOM   2268  CB  ILE A 285       9.887 -16.654 -32.320  1.00 93.94           C  
+ATOM   2269  O   ILE A 285       8.559 -18.627 -30.041  1.00 93.94           O  
+ATOM   2270  CG1 ILE A 285      10.718 -16.770 -33.603  1.00 93.94           C  
+ATOM   2271  CG2 ILE A 285      10.784 -16.710 -31.080  1.00 93.94           C  
+ATOM   2272  CD1 ILE A 285      11.667 -15.602 -33.833  1.00 93.94           C  
+ATOM   2273  N   CYS A 286       7.289 -16.945 -30.711  1.00 95.58           N  
+ATOM   2274  CA  CYS A 286       6.592 -16.879 -29.432  1.00 95.58           C  
+ATOM   2275  C   CYS A 286       5.327 -17.729 -29.455  1.00 95.58           C  
+ATOM   2276  CB  CYS A 286       6.239 -15.432 -29.087  1.00 95.58           C  
+ATOM   2277  O   CYS A 286       4.982 -18.363 -28.456  1.00 95.58           O  
+ATOM   2278  SG  CYS A 286       5.462 -15.238 -27.469  1.00 95.58           S  
+ATOM   2279  N   TYR A 287       4.687 -17.821 -30.585  1.00 96.21           N  
+ATOM   2280  CA  TYR A 287       3.439 -18.551 -30.784  1.00 96.21           C  
+ATOM   2281  C   TYR A 287       3.560 -19.530 -31.945  1.00 96.21           C  
+ATOM   2282  CB  TYR A 287       2.283 -17.579 -31.039  1.00 96.21           C  
+ATOM   2283  O   TYR A 287       3.196 -19.208 -33.078  1.00 96.21           O  
+ATOM   2284  CG  TYR A 287       2.069 -16.584 -29.924  1.00 96.21           C  
+ATOM   2285  CD1 TYR A 287       1.452 -16.964 -28.734  1.00 96.21           C  
+ATOM   2286  CD2 TYR A 287       2.481 -15.263 -30.058  1.00 96.21           C  
+ATOM   2287  CE1 TYR A 287       1.251 -16.051 -27.704  1.00 96.21           C  
+ATOM   2288  CE2 TYR A 287       2.285 -14.341 -29.035  1.00 96.21           C  
+ATOM   2289  OH  TYR A 287       1.474 -13.835 -26.848  1.00 96.21           O  
+ATOM   2290  CZ  TYR A 287       1.671 -14.743 -27.864  1.00 96.21           C  
+ATOM   2291  N   PRO A 288       3.967 -20.769 -31.629  1.00 95.27           N  
+ATOM   2292  CA  PRO A 288       4.212 -21.734 -32.704  1.00 95.27           C  
+ATOM   2293  C   PRO A 288       2.945 -22.087 -33.479  1.00 95.27           C  
+ATOM   2294  CB  PRO A 288       4.757 -22.957 -31.962  1.00 95.27           C  
+ATOM   2295  O   PRO A 288       3.016 -22.431 -34.662  1.00 95.27           O  
+ATOM   2296  CG  PRO A 288       5.351 -22.407 -30.705  1.00 95.27           C  
+ATOM   2297  CD  PRO A 288       4.545 -21.214 -30.279  1.00 95.27           C  
+ATOM   2298  N   GLU A 289       1.814 -21.811 -32.868  1.00 94.51           N  
+ATOM   2299  CA  GLU A 289       0.535 -22.176 -33.471  1.00 94.51           C  
+ATOM   2300  C   GLU A 289      -0.008 -21.047 -34.342  1.00 94.51           C  
+ATOM   2301  CB  GLU A 289      -0.484 -22.543 -32.389  1.00 94.51           C  
+ATOM   2302  O   GLU A 289      -1.038 -21.203 -34.999  1.00 94.51           O  
+ATOM   2303  CG  GLU A 289      -0.893 -21.372 -31.507  1.00 94.51           C  
+ATOM   2304  CD  GLU A 289       0.094 -21.093 -30.385  1.00 94.51           C  
+ATOM   2305  OE1 GLU A 289      -0.232 -20.299 -29.473  1.00 94.51           O  
+ATOM   2306  OE2 GLU A 289       1.202 -21.673 -30.417  1.00 94.51           O  
+ATOM   2307  N   TYR A 290       0.553 -19.946 -34.391  1.00 95.94           N  
+ATOM   2308  CA  TYR A 290       0.110 -18.793 -35.167  1.00 95.94           C  
+ATOM   2309  C   TYR A 290       0.163 -19.088 -36.661  1.00 95.94           C  
+ATOM   2310  CB  TYR A 290       0.969 -17.566 -34.845  1.00 95.94           C  
+ATOM   2311  O   TYR A 290       1.204 -19.495 -37.183  1.00 95.94           O  
+ATOM   2312  CG  TYR A 290       0.614 -16.346 -35.660  1.00 95.94           C  
+ATOM   2313  CD1 TYR A 290       1.503 -15.829 -36.599  1.00 95.94           C  
+ATOM   2314  CD2 TYR A 290      -0.610 -15.708 -35.492  1.00 95.94           C  
+ATOM   2315  CE1 TYR A 290       1.181 -14.704 -37.351  1.00 95.94           C  
+ATOM   2316  CE2 TYR A 290      -0.943 -14.582 -36.238  1.00 95.94           C  
+ATOM   2317  OH  TYR A 290      -0.367 -12.974 -37.905  1.00 95.94           O  
+ATOM   2318  CZ  TYR A 290      -0.043 -14.089 -37.164  1.00 95.94           C  
+ATOM   2319  N   ALA A 291      -0.993 -18.959 -37.354  1.00 93.32           N  
+ATOM   2320  CA  ALA A 291      -1.093 -19.340 -38.760  1.00 93.32           C  
+ATOM   2321  C   ALA A 291      -1.264 -18.113 -39.651  1.00 93.32           C  
+ATOM   2322  CB  ALA A 291      -2.254 -20.310 -38.967  1.00 93.32           C  
+ATOM   2323  O   ALA A 291      -1.355 -18.234 -40.875  1.00 93.32           O  
+ATOM   2324  N   GLY A 292      -1.320 -16.903 -39.039  1.00 91.53           N  
+ATOM   2325  CA  GLY A 292      -1.506 -15.678 -39.800  1.00 91.53           C  
+ATOM   2326  C   GLY A 292      -0.230 -15.183 -40.454  1.00 91.53           C  
+ATOM   2327  O   GLY A 292       0.838 -15.769 -40.267  1.00 91.53           O  
+ATOM   2328  N   SER A 293      -0.398 -14.079 -41.316  1.00 92.49           N  
+ATOM   2329  CA  SER A 293       0.758 -13.481 -41.977  1.00 92.49           C  
+ATOM   2330  C   SER A 293       1.612 -12.691 -40.991  1.00 92.49           C  
+ATOM   2331  CB  SER A 293       0.310 -12.570 -43.120  1.00 92.49           C  
+ATOM   2332  O   SER A 293       1.142 -12.320 -39.914  1.00 92.49           O  
+ATOM   2333  OG  SER A 293      -0.459 -11.486 -42.628  1.00 92.49           O  
+ATOM   2334  N   ASN A 294       2.854 -12.537 -41.245  1.00 92.23           N  
+ATOM   2335  CA  ASN A 294       3.792 -11.810 -40.397  1.00 92.23           C  
+ATOM   2336  C   ASN A 294       3.722 -10.306 -40.646  1.00 92.23           C  
+ATOM   2337  CB  ASN A 294       5.218 -12.319 -40.614  1.00 92.23           C  
+ATOM   2338  O   ASN A 294       4.754  -9.637 -40.724  1.00 92.23           O  
+ATOM   2339  CG  ASN A 294       6.107 -12.097 -39.406  1.00 92.23           C  
+ATOM   2340  ND2 ASN A 294       7.391 -11.861 -39.650  1.00 92.23           N  
+ATOM   2341  OD1 ASN A 294       5.645 -12.138 -38.263  1.00 92.23           O  
+ATOM   2342  N   THR A 295       2.461  -9.805 -40.745  1.00 95.13           N  
+ATOM   2343  CA  THR A 295       2.212  -8.373 -40.869  1.00 95.13           C  
+ATOM   2344  C   THR A 295       1.816  -7.774 -39.522  1.00 95.13           C  
+ATOM   2345  CB  THR A 295       1.109  -8.085 -41.905  1.00 95.13           C  
+ATOM   2346  O   THR A 295       1.326  -8.484 -38.641  1.00 95.13           O  
+ATOM   2347  CG2 THR A 295       1.470  -8.665 -43.268  1.00 95.13           C  
+ATOM   2348  OG1 THR A 295      -0.121  -8.669 -41.460  1.00 95.13           O  
+ATOM   2349  N   TYR A 296       2.121  -6.482 -39.345  1.00 95.87           N  
+ATOM   2350  CA  TYR A 296       1.808  -5.774 -38.109  1.00 95.87           C  
+ATOM   2351  C   TYR A 296       0.344  -5.961 -37.729  1.00 95.87           C  
+ATOM   2352  CB  TYR A 296       2.125  -4.282 -38.248  1.00 95.87           C  
+ATOM   2353  O   TYR A 296       0.033  -6.348 -36.600  1.00 95.87           O  
+ATOM   2354  CG  TYR A 296       1.568  -3.436 -37.129  1.00 95.87           C  
+ATOM   2355  CD1 TYR A 296       0.388  -2.714 -37.295  1.00 95.87           C  
+ATOM   2356  CD2 TYR A 296       2.221  -3.356 -35.903  1.00 95.87           C  
+ATOM   2357  CE1 TYR A 296      -0.127  -1.932 -36.267  1.00 95.87           C  
+ATOM   2358  CE2 TYR A 296       1.714  -2.577 -34.868  1.00 95.87           C  
+ATOM   2359  OH  TYR A 296       0.035  -1.097 -34.038  1.00 95.87           O  
+ATOM   2360  CZ  TYR A 296       0.541  -1.870 -35.059  1.00 95.87           C  
+ATOM   2361  N   GLU A 297      -0.550  -5.772 -38.629  1.00 95.67           N  
+ATOM   2362  CA  GLU A 297      -1.984  -5.758 -38.355  1.00 95.67           C  
+ATOM   2363  C   GLU A 297      -2.462  -7.115 -37.846  1.00 95.67           C  
+ATOM   2364  CB  GLU A 297      -2.767  -5.361 -39.609  1.00 95.67           C  
+ATOM   2365  O   GLU A 297      -3.100  -7.200 -36.795  1.00 95.67           O  
+ATOM   2366  CG  GLU A 297      -2.582  -3.907 -40.015  1.00 95.67           C  
+ATOM   2367  CD  GLU A 297      -1.266  -3.646 -40.731  1.00 95.67           C  
+ATOM   2368  OE1 GLU A 297      -0.854  -2.469 -40.835  1.00 95.67           O  
+ATOM   2369  OE2 GLU A 297      -0.642  -4.628 -41.192  1.00 95.67           O  
+ATOM   2370  N   GLU A 298      -2.046  -8.216 -38.521  1.00 96.36           N  
+ATOM   2371  CA  GLU A 298      -2.532  -9.547 -38.167  1.00 96.36           C  
+ATOM   2372  C   GLU A 298      -1.869 -10.055 -36.890  1.00 96.36           C  
+ATOM   2373  CB  GLU A 298      -2.288 -10.531 -39.314  1.00 96.36           C  
+ATOM   2374  O   GLU A 298      -2.537 -10.614 -36.018  1.00 96.36           O  
+ATOM   2375  CG  GLU A 298      -3.256 -10.372 -40.478  1.00 96.36           C  
+ATOM   2376  CD  GLU A 298      -3.180 -11.511 -41.482  1.00 96.36           C  
+ATOM   2377  OE1 GLU A 298      -3.768 -11.391 -42.581  1.00 96.36           O  
+ATOM   2378  OE2 GLU A 298      -2.529 -12.531 -41.166  1.00 96.36           O  
+ATOM   2379  N   ALA A 299      -0.584  -9.788 -36.752  1.00 97.47           N  
+ATOM   2380  CA  ALA A 299       0.158 -10.248 -35.581  1.00 97.47           C  
+ATOM   2381  C   ALA A 299      -0.284  -9.502 -34.325  1.00 97.47           C  
+ATOM   2382  CB  ALA A 299       1.659 -10.073 -35.800  1.00 97.47           C  
+ATOM   2383  O   ALA A 299      -0.495 -10.114 -33.275  1.00 97.47           O  
+ATOM   2384  N   ALA A 300      -0.425  -8.156 -34.428  1.00 97.25           N  
+ATOM   2385  CA  ALA A 300      -0.861  -7.345 -33.294  1.00 97.25           C  
+ATOM   2386  C   ALA A 300      -2.260  -7.750 -32.837  1.00 97.25           C  
+ATOM   2387  CB  ALA A 300      -0.832  -5.863 -33.658  1.00 97.25           C  
+ATOM   2388  O   ALA A 300      -2.518  -7.865 -31.636  1.00 97.25           O  
+ATOM   2389  N   ALA A 301      -3.131  -8.008 -33.787  1.00 96.96           N  
+ATOM   2390  CA  ALA A 301      -4.492  -8.435 -33.475  1.00 96.96           C  
+ATOM   2391  C   ALA A 301      -4.493  -9.783 -32.759  1.00 96.96           C  
+ATOM   2392  CB  ALA A 301      -5.331  -8.513 -34.749  1.00 96.96           C  
+ATOM   2393  O   ALA A 301      -5.271  -9.996 -31.826  1.00 96.96           O  
+ATOM   2394  N   TYR A 302      -3.610 -10.601 -33.220  1.00 97.81           N  
+ATOM   2395  CA  TYR A 302      -3.502 -11.915 -32.596  1.00 97.81           C  
+ATOM   2396  C   TYR A 302      -3.063 -11.793 -31.142  1.00 97.81           C  
+ATOM   2397  CB  TYR A 302      -2.516 -12.798 -33.367  1.00 97.81           C  
+ATOM   2398  O   TYR A 302      -3.645 -12.423 -30.256  1.00 97.81           O  
+ATOM   2399  CG  TYR A 302      -2.420 -14.207 -32.835  1.00 97.81           C  
+ATOM   2400  CD1 TYR A 302      -1.415 -14.568 -31.941  1.00 97.81           C  
+ATOM   2401  CD2 TYR A 302      -3.333 -15.181 -33.226  1.00 97.81           C  
+ATOM   2402  CE1 TYR A 302      -1.320 -15.866 -31.450  1.00 97.81           C  
+ATOM   2403  CE2 TYR A 302      -3.248 -16.482 -32.742  1.00 97.81           C  
+ATOM   2404  OH  TYR A 302      -2.152 -18.101 -31.372  1.00 97.81           O  
+ATOM   2405  CZ  TYR A 302      -2.241 -16.814 -31.855  1.00 97.81           C  
+ATOM   2406  N   ILE A 303      -2.055 -11.028 -30.894  1.00 97.94           N  
+ATOM   2407  CA  ILE A 303      -1.561 -10.830 -29.536  1.00 97.94           C  
+ATOM   2408  C   ILE A 303      -2.662 -10.226 -28.669  1.00 97.94           C  
+ATOM   2409  CB  ILE A 303      -0.307  -9.926 -29.517  1.00 97.94           C  
+ATOM   2410  O   ILE A 303      -2.862 -10.646 -27.526  1.00 97.94           O  
+ATOM   2411  CG1 ILE A 303       0.876 -10.639 -30.182  1.00 97.94           C  
+ATOM   2412  CG2 ILE A 303       0.038  -9.512 -28.084  1.00 97.94           C  
+ATOM   2413  CD1 ILE A 303       2.122  -9.776 -30.317  1.00 97.94           C  
+ATOM   2414  N   GLN A 304      -3.325  -9.244 -29.228  1.00 97.49           N  
+ATOM   2415  CA  GLN A 304      -4.453  -8.648 -28.519  1.00 97.49           C  
+ATOM   2416  C   GLN A 304      -5.461  -9.713 -28.096  1.00 97.49           C  
+ATOM   2417  CB  GLN A 304      -5.138  -7.593 -29.389  1.00 97.49           C  
+ATOM   2418  O   GLN A 304      -5.879  -9.754 -26.937  1.00 97.49           O  
+ATOM   2419  CG  GLN A 304      -6.339  -6.934 -28.725  1.00 97.49           C  
+ATOM   2420  CD  GLN A 304      -6.997  -5.888 -29.606  1.00 97.49           C  
+ATOM   2421  NE2 GLN A 304      -8.177  -5.431 -29.203  1.00 97.49           N  
+ATOM   2422  OE1 GLN A 304      -6.448  -5.494 -30.640  1.00 97.49           O  
+ATOM   2423  N   CYS A 305      -5.790 -10.572 -28.972  1.00 96.35           N  
+ATOM   2424  CA  CYS A 305      -6.756 -11.630 -28.696  1.00 96.35           C  
+ATOM   2425  C   CYS A 305      -6.243 -12.565 -27.607  1.00 96.35           C  
+ATOM   2426  CB  CYS A 305      -7.057 -12.426 -29.965  1.00 96.35           C  
+ATOM   2427  O   CYS A 305      -7.004 -12.981 -26.731  1.00 96.35           O  
+ATOM   2428  SG  CYS A 305      -8.109 -11.548 -31.142  1.00 96.35           S  
+ATOM   2429  N   GLN A 306      -5.009 -12.834 -27.620  1.00 97.34           N  
+ATOM   2430  CA  GLN A 306      -4.418 -13.716 -26.620  1.00 97.34           C  
+ATOM   2431  C   GLN A 306      -4.585 -13.144 -25.215  1.00 97.34           C  
+ATOM   2432  CB  GLN A 306      -2.936 -13.950 -26.918  1.00 97.34           C  
+ATOM   2433  O   GLN A 306      -4.905 -13.875 -24.275  1.00 97.34           O  
+ATOM   2434  CG  GLN A 306      -2.685 -14.765 -28.180  1.00 97.34           C  
+ATOM   2435  CD  GLN A 306      -3.309 -16.146 -28.122  1.00 97.34           C  
+ATOM   2436  NE2 GLN A 306      -4.252 -16.409 -29.020  1.00 97.34           N  
+ATOM   2437  OE1 GLN A 306      -2.946 -16.971 -27.277  1.00 97.34           O  
+ATOM   2438  N   PHE A 307      -4.443 -11.934 -25.063  1.00 97.51           N  
+ATOM   2439  CA  PHE A 307      -4.586 -11.296 -23.760  1.00 97.51           C  
+ATOM   2440  C   PHE A 307      -6.054 -11.203 -23.361  1.00 97.51           C  
+ATOM   2441  CB  PHE A 307      -3.955  -9.900 -23.770  1.00 97.51           C  
+ATOM   2442  O   PHE A 307      -6.412 -11.488 -22.216  1.00 97.51           O  
+ATOM   2443  CG  PHE A 307      -2.485  -9.896 -23.451  1.00 97.51           C  
+ATOM   2444  CD1 PHE A 307      -2.045  -9.776 -22.138  1.00 97.51           C  
+ATOM   2445  CD2 PHE A 307      -1.542 -10.013 -24.463  1.00 97.51           C  
+ATOM   2446  CE1 PHE A 307      -0.684  -9.772 -21.839  1.00 97.51           C  
+ATOM   2447  CE2 PHE A 307      -0.180 -10.010 -24.173  1.00 97.51           C  
+ATOM   2448  CZ  PHE A 307       0.246  -9.888 -22.860  1.00 97.51           C  
+ATOM   2449  N   GLU A 308      -6.849 -10.831 -24.281  1.00 95.43           N  
+ATOM   2450  CA  GLU A 308      -8.272 -10.687 -23.989  1.00 95.43           C  
+ATOM   2451  C   GLU A 308      -8.895 -12.025 -23.600  1.00 95.43           C  
+ATOM   2452  CB  GLU A 308      -9.011 -10.093 -25.191  1.00 95.43           C  
+ATOM   2453  O   GLU A 308      -9.793 -12.076 -22.758  1.00 95.43           O  
+ATOM   2454  CG  GLU A 308      -8.733  -8.613 -25.413  1.00 95.43           C  
+ATOM   2455  CD  GLU A 308      -9.407  -8.056 -26.657  1.00 95.43           C  
+ATOM   2456  OE1 GLU A 308      -9.419  -6.817 -26.838  1.00 95.43           O  
+ATOM   2457  OE2 GLU A 308      -9.929  -8.865 -27.456  1.00 95.43           O  
+ATOM   2458  N   ASP A 309      -8.378 -13.080 -24.100  1.00 95.71           N  
+ATOM   2459  CA  ASP A 309      -8.908 -14.414 -23.833  1.00 95.71           C  
+ATOM   2460  C   ASP A 309      -8.556 -14.872 -22.419  1.00 95.71           C  
+ATOM   2461  CB  ASP A 309      -8.375 -15.418 -24.858  1.00 95.71           C  
+ATOM   2462  O   ASP A 309      -9.163 -15.808 -21.895  1.00 95.71           O  
+ATOM   2463  CG  ASP A 309      -9.057 -15.302 -26.210  1.00 95.71           C  
+ATOM   2464  OD1 ASP A 309     -10.109 -14.635 -26.308  1.00 95.71           O  
+ATOM   2465  OD2 ASP A 309      -8.539 -15.887 -27.186  1.00 95.71           O  
+ATOM   2466  N   LEU A 310      -7.667 -14.145 -21.797  1.00 96.13           N  
+ATOM   2467  CA  LEU A 310      -7.268 -14.504 -20.441  1.00 96.13           C  
+ATOM   2468  C   LEU A 310      -8.290 -14.008 -19.424  1.00 96.13           C  
+ATOM   2469  CB  LEU A 310      -5.887 -13.925 -20.118  1.00 96.13           C  
+ATOM   2470  O   LEU A 310      -8.281 -14.439 -18.268  1.00 96.13           O  
+ATOM   2471  CG  LEU A 310      -4.702 -14.547 -20.857  1.00 96.13           C  
+ATOM   2472  CD1 LEU A 310      -3.429 -13.755 -20.578  1.00 96.13           C  
+ATOM   2473  CD2 LEU A 310      -4.527 -16.007 -20.456  1.00 96.13           C  
+ATOM   2474  N   ASN A 311      -9.157 -13.173 -19.844  1.00 94.33           N  
+ATOM   2475  CA  ASN A 311     -10.240 -12.670 -19.005  1.00 94.33           C  
+ATOM   2476  C   ASN A 311     -11.348 -13.706 -18.840  1.00 94.33           C  
+ATOM   2477  CB  ASN A 311     -10.808 -11.372 -19.582  1.00 94.33           C  
+ATOM   2478  O   ASN A 311     -12.143 -13.923 -19.757  1.00 94.33           O  
+ATOM   2479  CG  ASN A 311     -11.895 -10.772 -18.711  1.00 94.33           C  
+ATOM   2480  ND2 ASN A 311     -12.651  -9.834 -19.269  1.00 94.33           N  
+ATOM   2481  OD1 ASN A 311     -12.053 -11.149 -17.547  1.00 94.33           O  
+ATOM   2482  N   LYS A 312     -11.470 -14.293 -17.675  1.00 92.31           N  
+ATOM   2483  CA  LYS A 312     -12.403 -15.384 -17.410  1.00 92.31           C  
+ATOM   2484  C   LYS A 312     -13.792 -14.849 -17.071  1.00 92.31           C  
+ATOM   2485  CB  LYS A 312     -11.889 -16.265 -16.270  1.00 92.31           C  
+ATOM   2486  O   LYS A 312     -14.767 -15.602 -17.062  1.00 92.31           O  
+ATOM   2487  CG  LYS A 312     -10.605 -17.014 -16.597  1.00 92.31           C  
+ATOM   2488  CD  LYS A 312     -10.122 -17.839 -15.412  1.00 92.31           C  
+ATOM   2489  CE  LYS A 312      -8.821 -18.564 -15.727  1.00 92.31           C  
+ATOM   2490  NZ  LYS A 312      -8.282 -19.282 -14.533  1.00 92.31           N  
+ATOM   2491  N   ARG A 313     -13.916 -13.569 -16.918  1.00 87.39           N  
+ATOM   2492  CA  ARG A 313     -15.179 -12.923 -16.577  1.00 87.39           C  
+ATOM   2493  C   ARG A 313     -15.619 -11.964 -17.678  1.00 87.39           C  
+ATOM   2494  CB  ARG A 313     -15.058 -12.174 -15.248  1.00 87.39           C  
+ATOM   2495  O   ARG A 313     -15.949 -10.807 -17.407  1.00 87.39           O  
+ATOM   2496  CG  ARG A 313     -14.772 -13.075 -14.057  1.00 87.39           C  
+ATOM   2497  CD  ARG A 313     -14.613 -12.276 -12.771  1.00 87.39           C  
+ATOM   2498  NE  ARG A 313     -14.130 -13.110 -11.674  1.00 87.39           N  
+ATOM   2499  NH1 ARG A 313     -14.245 -11.442 -10.080  1.00 87.39           N  
+ATOM   2500  NH2 ARG A 313     -13.520 -13.539  -9.502  1.00 87.39           N  
+ATOM   2501  CZ  ARG A 313     -13.966 -12.695 -10.421  1.00 87.39           C  
+ATOM   2502  N   LYS A 314     -15.706 -12.441 -18.889  1.00 84.49           N  
+ATOM   2503  CA  LYS A 314     -15.962 -11.596 -20.052  1.00 84.49           C  
+ATOM   2504  C   LYS A 314     -17.376 -11.023 -20.015  1.00 84.49           C  
+ATOM   2505  CB  LYS A 314     -15.750 -12.385 -21.345  1.00 84.49           C  
+ATOM   2506  O   LYS A 314     -17.637  -9.964 -20.588  1.00 84.49           O  
+ATOM   2507  CG  LYS A 314     -14.290 -12.666 -21.666  1.00 84.49           C  
+ATOM   2508  CD  LYS A 314     -14.139 -13.375 -23.006  1.00 84.49           C  
+ATOM   2509  CE  LYS A 314     -12.682 -13.701 -23.306  1.00 84.49           C  
+ATOM   2510  NZ  LYS A 314     -12.522 -14.345 -24.644  1.00 84.49           N  
+ATOM   2511  N   ASP A 315     -18.222 -11.663 -19.243  1.00 83.23           N  
+ATOM   2512  CA  ASP A 315     -19.621 -11.248 -19.200  1.00 83.23           C  
+ATOM   2513  C   ASP A 315     -19.813 -10.063 -18.255  1.00 83.23           C  
+ATOM   2514  CB  ASP A 315     -20.513 -12.414 -18.769  1.00 83.23           C  
+ATOM   2515  O   ASP A 315     -20.708  -9.240 -18.459  1.00 83.23           O  
+ATOM   2516  CG  ASP A 315     -20.038 -13.085 -17.493  1.00 83.23           C  
+ATOM   2517  OD1 ASP A 315     -18.812 -13.249 -17.310  1.00 83.23           O  
+ATOM   2518  OD2 ASP A 315     -20.896 -13.457 -16.664  1.00 83.23           O  
+ATOM   2519  N   THR A 316     -18.900  -9.966 -17.370  1.00 82.59           N  
+ATOM   2520  CA  THR A 316     -19.140  -8.971 -16.330  1.00 82.59           C  
+ATOM   2521  C   THR A 316     -18.021  -7.934 -16.305  1.00 82.59           C  
+ATOM   2522  CB  THR A 316     -19.263  -9.631 -14.944  1.00 82.59           C  
+ATOM   2523  O   THR A 316     -18.190  -6.845 -15.752  1.00 82.59           O  
+ATOM   2524  CG2 THR A 316     -20.504 -10.515 -14.864  1.00 82.59           C  
+ATOM   2525  OG1 THR A 316     -18.102 -10.434 -14.699  1.00 82.59           O  
+ATOM   2526  N   LYS A 317     -16.926  -8.235 -17.003  1.00 84.11           N  
+ATOM   2527  CA  LYS A 317     -15.769  -7.345 -16.966  1.00 84.11           C  
+ATOM   2528  C   LYS A 317     -15.209  -7.113 -18.366  1.00 84.11           C  
+ATOM   2529  CB  LYS A 317     -14.681  -7.917 -16.055  1.00 84.11           C  
+ATOM   2530  O   LYS A 317     -14.765  -8.054 -19.027  1.00 84.11           O  
+ATOM   2531  CG  LYS A 317     -13.513  -6.971 -15.818  1.00 84.11           C  
+ATOM   2532  CD  LYS A 317     -12.544  -7.528 -14.782  1.00 84.11           C  
+ATOM   2533  CE  LYS A 317     -11.423  -6.544 -14.478  1.00 84.11           C  
+ATOM   2534  NZ  LYS A 317     -10.535  -7.038 -13.382  1.00 84.11           N  
+ATOM   2535  N   GLU A 318     -15.258  -5.910 -18.724  1.00 83.78           N  
+ATOM   2536  CA  GLU A 318     -14.731  -5.549 -20.037  1.00 83.78           C  
+ATOM   2537  C   GLU A 318     -13.311  -5.002 -19.931  1.00 83.78           C  
+ATOM   2538  CB  GLU A 318     -15.640  -4.522 -20.717  1.00 83.78           C  
+ATOM   2539  O   GLU A 318     -13.022  -4.173 -19.065  1.00 83.78           O  
+ATOM   2540  CG  GLU A 318     -15.318  -4.293 -22.187  1.00 83.78           C  
+ATOM   2541  CD  GLU A 318     -16.308  -3.372 -22.882  1.00 83.78           C  
+ATOM   2542  OE1 GLU A 318     -16.224  -3.215 -24.121  1.00 83.78           O  
+ATOM   2543  OE2 GLU A 318     -17.174  -2.802 -22.182  1.00 83.78           O  
+ATOM   2544  N   ILE A 319     -12.390  -5.528 -20.810  1.00 91.07           N  
+ATOM   2545  CA  ILE A 319     -11.021  -5.031 -20.898  1.00 91.07           C  
+ATOM   2546  C   ILE A 319     -10.887  -4.099 -22.100  1.00 91.07           C  
+ATOM   2547  CB  ILE A 319     -10.005  -6.191 -21.003  1.00 91.07           C  
+ATOM   2548  O   ILE A 319     -11.216  -4.477 -23.226  1.00 91.07           O  
+ATOM   2549  CG1 ILE A 319     -10.062  -7.066 -19.745  1.00 91.07           C  
+ATOM   2550  CG2 ILE A 319      -8.590  -5.650 -21.230  1.00 91.07           C  
+ATOM   2551  CD1 ILE A 319      -9.161  -8.292 -19.803  1.00 91.07           C  
+ATOM   2552  N   TYR A 320     -10.433  -2.845 -21.773  1.00 91.96           N  
+ATOM   2553  CA  TYR A 320     -10.240  -1.859 -22.831  1.00 91.96           C  
+ATOM   2554  C   TYR A 320      -8.805  -1.884 -23.344  1.00 91.96           C  
+ATOM   2555  CB  TYR A 320     -10.591  -0.455 -22.329  1.00 91.96           C  
+ATOM   2556  O   TYR A 320      -7.867  -1.603 -22.595  1.00 91.96           O  
+ATOM   2557  CG  TYR A 320     -12.008  -0.327 -21.825  1.00 91.96           C  
+ATOM   2558  CD1 TYR A 320     -13.052  -0.021 -22.695  1.00 91.96           C  
+ATOM   2559  CD2 TYR A 320     -12.307  -0.511 -20.479  1.00 91.96           C  
+ATOM   2560  CE1 TYR A 320     -14.360   0.100 -22.236  1.00 91.96           C  
+ATOM   2561  CE2 TYR A 320     -13.610  -0.393 -20.009  1.00 91.96           C  
+ATOM   2562  OH  TYR A 320     -15.921   0.030 -20.433  1.00 91.96           O  
+ATOM   2563  CZ  TYR A 320     -14.628  -0.088 -20.893  1.00 91.96           C  
+ATOM   2564  N   THR A 321      -8.713  -2.173 -24.618  1.00 95.15           N  
+ATOM   2565  CA  THR A 321      -7.385  -2.397 -25.176  1.00 95.15           C  
+ATOM   2566  C   THR A 321      -7.004  -1.274 -26.136  1.00 95.15           C  
+ATOM   2567  CB  THR A 321      -7.308  -3.750 -25.909  1.00 95.15           C  
+ATOM   2568  O   THR A 321      -7.816  -0.856 -26.964  1.00 95.15           O  
+ATOM   2569  CG2 THR A 321      -5.896  -4.020 -26.418  1.00 95.15           C  
+ATOM   2570  OG1 THR A 321      -7.687  -4.797 -25.008  1.00 95.15           O  
+ATOM   2571  N   HIS A 322      -5.732  -0.800 -25.989  1.00 95.61           N  
+ATOM   2572  CA  HIS A 322      -5.198   0.245 -26.855  1.00 95.61           C  
+ATOM   2573  C   HIS A 322      -3.766  -0.067 -27.277  1.00 95.61           C  
+ATOM   2574  CB  HIS A 322      -5.254   1.603 -26.154  1.00 95.61           C  
+ATOM   2575  O   HIS A 322      -2.959  -0.518 -26.461  1.00 95.61           O  
+ATOM   2576  CG  HIS A 322      -6.643   2.055 -25.832  1.00 95.61           C  
+ATOM   2577  CD2 HIS A 322      -7.372   1.949 -24.696  1.00 95.61           C  
+ATOM   2578  ND1 HIS A 322      -7.446   2.703 -26.746  1.00 95.61           N  
+ATOM   2579  CE1 HIS A 322      -8.611   2.977 -26.184  1.00 95.61           C  
+ATOM   2580  NE2 HIS A 322      -8.592   2.530 -24.940  1.00 95.61           N  
+ATOM   2581  N   PHE A 323      -3.567   0.166 -28.564  1.00 96.37           N  
+ATOM   2582  CA  PHE A 323      -2.188   0.121 -29.035  1.00 96.37           C  
+ATOM   2583  C   PHE A 323      -1.495   1.459 -28.809  1.00 96.37           C  
+ATOM   2584  CB  PHE A 323      -2.137  -0.253 -30.519  1.00 96.37           C  
+ATOM   2585  O   PHE A 323      -1.993   2.502 -29.238  1.00 96.37           O  
+ATOM   2586  CG  PHE A 323      -2.615  -1.650 -30.810  1.00 96.37           C  
+ATOM   2587  CD1 PHE A 323      -1.731  -2.722 -30.784  1.00 96.37           C  
+ATOM   2588  CD2 PHE A 323      -3.949  -1.892 -31.111  1.00 96.37           C  
+ATOM   2589  CE1 PHE A 323      -2.171  -4.016 -31.052  1.00 96.37           C  
+ATOM   2590  CE2 PHE A 323      -4.396  -3.182 -31.380  1.00 96.37           C  
+ATOM   2591  CZ  PHE A 323      -3.505  -4.243 -31.352  1.00 96.37           C  
+ATOM   2592  N   THR A 324      -0.311   1.333 -28.096  1.00 96.20           N  
+ATOM   2593  CA  THR A 324       0.283   2.594 -27.666  1.00 96.20           C  
+ATOM   2594  C   THR A 324       1.761   2.653 -28.040  1.00 96.20           C  
+ATOM   2595  CB  THR A 324       0.127   2.795 -26.147  1.00 96.20           C  
+ATOM   2596  O   THR A 324       2.386   1.619 -28.283  1.00 96.20           O  
+ATOM   2597  CG2 THR A 324      -1.344   2.869 -25.750  1.00 96.20           C  
+ATOM   2598  OG1 THR A 324       0.741   1.697 -25.460  1.00 96.20           O  
+ATOM   2599  N   CYS A 325       2.217   3.884 -28.249  1.00 95.55           N  
+ATOM   2600  CA  CYS A 325       3.622   4.272 -28.294  1.00 95.55           C  
+ATOM   2601  C   CYS A 325       3.919   5.363 -27.272  1.00 95.55           C  
+ATOM   2602  CB  CYS A 325       4.001   4.755 -29.693  1.00 95.55           C  
+ATOM   2603  O   CYS A 325       3.633   6.538 -27.511  1.00 95.55           O  
+ATOM   2604  SG  CYS A 325       5.742   5.207 -29.861  1.00 95.55           S  
+ATOM   2605  N   ALA A 326       4.527   4.895 -26.223  1.00 94.31           N  
+ATOM   2606  CA  ALA A 326       4.648   5.768 -25.058  1.00 94.31           C  
+ATOM   2607  C   ALA A 326       5.611   6.920 -25.334  1.00 94.31           C  
+ATOM   2608  CB  ALA A 326       5.112   4.971 -23.842  1.00 94.31           C  
+ATOM   2609  O   ALA A 326       5.557   7.955 -24.666  1.00 94.31           O  
+ATOM   2610  N   THR A 327       6.418   6.757 -26.344  1.00 93.91           N  
+ATOM   2611  CA  THR A 327       7.359   7.823 -26.668  1.00 93.91           C  
+ATOM   2612  C   THR A 327       6.717   8.845 -27.603  1.00 93.91           C  
+ATOM   2613  CB  THR A 327       8.638   7.262 -27.316  1.00 93.91           C  
+ATOM   2614  O   THR A 327       7.303   9.893 -27.882  1.00 93.91           O  
+ATOM   2615  CG2 THR A 327       9.427   6.410 -26.328  1.00 93.91           C  
+ATOM   2616  OG1 THR A 327       8.280   6.456 -28.446  1.00 93.91           O  
+ATOM   2617  N   ASP A 328       5.505   8.528 -28.116  1.00 95.30           N  
+ATOM   2618  CA  ASP A 328       4.726   9.429 -28.959  1.00 95.30           C  
+ATOM   2619  C   ASP A 328       3.682  10.183 -28.138  1.00 95.30           C  
+ATOM   2620  CB  ASP A 328       4.046   8.653 -30.089  1.00 95.30           C  
+ATOM   2621  O   ASP A 328       2.657   9.616 -27.756  1.00 95.30           O  
+ATOM   2622  CG  ASP A 328       3.332   9.555 -31.081  1.00 95.30           C  
+ATOM   2623  OD1 ASP A 328       3.056  10.728 -30.750  1.00 95.30           O  
+ATOM   2624  OD2 ASP A 328       3.040   9.086 -32.203  1.00 95.30           O  
+ATOM   2625  N   THR A 329       3.913  11.494 -27.919  1.00 93.85           N  
+ATOM   2626  CA  THR A 329       3.097  12.313 -27.029  1.00 93.85           C  
+ATOM   2627  C   THR A 329       1.660  12.394 -27.535  1.00 93.85           C  
+ATOM   2628  CB  THR A 329       3.676  13.733 -26.890  1.00 93.85           C  
+ATOM   2629  O   THR A 329       0.713  12.289 -26.752  1.00 93.85           O  
+ATOM   2630  CG2 THR A 329       2.841  14.575 -25.930  1.00 93.85           C  
+ATOM   2631  OG1 THR A 329       5.017  13.649 -26.392  1.00 93.85           O  
+ATOM   2632  N   LYS A 330       1.440  12.502 -28.792  1.00 92.85           N  
+ATOM   2633  CA  LYS A 330       0.107  12.618 -29.376  1.00 92.85           C  
+ATOM   2634  C   LYS A 330      -0.690  11.330 -29.189  1.00 92.85           C  
+ATOM   2635  CB  LYS A 330       0.201  12.965 -30.863  1.00 92.85           C  
+ATOM   2636  O   LYS A 330      -1.874  11.371 -28.850  1.00 92.85           O  
+ATOM   2637  CG  LYS A 330       0.676  14.384 -31.139  1.00 92.85           C  
+ATOM   2638  CD  LYS A 330       0.673  14.694 -32.630  1.00 92.85           C  
+ATOM   2639  CE  LYS A 330       1.233  16.081 -32.914  1.00 92.85           C  
+ATOM   2640  NZ  LYS A 330       1.299  16.362 -34.380  1.00 92.85           N  
+ATOM   2641  N   ASN A 331       0.019  10.225 -29.449  1.00 92.55           N  
+ATOM   2642  CA  ASN A 331      -0.612   8.922 -29.272  1.00 92.55           C  
+ATOM   2643  C   ASN A 331      -1.085   8.717 -27.836  1.00 92.55           C  
+ATOM   2644  CB  ASN A 331       0.348   7.801 -29.679  1.00 92.55           C  
+ATOM   2645  O   ASN A 331      -2.231   8.328 -27.605  1.00 92.55           O  
+ATOM   2646  CG  ASN A 331      -0.264   6.423 -29.522  1.00 92.55           C  
+ATOM   2647  ND2 ASN A 331      -1.190   6.080 -30.409  1.00 92.55           N  
+ATOM   2648  OD1 ASN A 331       0.093   5.672 -28.610  1.00 92.55           O  
+ATOM   2649  N   VAL A 332      -0.216   9.050 -26.808  1.00 92.67           N  
+ATOM   2650  CA  VAL A 332      -0.541   8.842 -25.401  1.00 92.67           C  
+ATOM   2651  C   VAL A 332      -1.674   9.778 -24.987  1.00 92.67           C  
+ATOM   2652  CB  VAL A 332       0.691   9.065 -24.495  1.00 92.67           C  
+ATOM   2653  O   VAL A 332      -2.574   9.382 -24.243  1.00 92.67           O  
+ATOM   2654  CG1 VAL A 332       0.296   9.005 -23.021  1.00 92.67           C  
+ATOM   2655  CG2 VAL A 332       1.773   8.031 -24.804  1.00 92.67           C  
+ATOM   2656  N   GLN A 333      -1.611  10.980 -25.499  1.00 90.79           N  
+ATOM   2657  CA  GLN A 333      -2.673  11.933 -25.195  1.00 90.79           C  
+ATOM   2658  C   GLN A 333      -4.024  11.428 -25.695  1.00 90.79           C  
+ATOM   2659  CB  GLN A 333      -2.363  13.298 -25.810  1.00 90.79           C  
+ATOM   2660  O   GLN A 333      -5.020  11.484 -24.971  1.00 90.79           O  
+ATOM   2661  CG  GLN A 333      -3.336  14.394 -25.398  1.00 90.79           C  
+ATOM   2662  CD  GLN A 333      -2.938  15.076 -24.102  1.00 90.79           C  
+ATOM   2663  NE2 GLN A 333      -3.929  15.440 -23.295  1.00 90.79           N  
+ATOM   2664  OE1 GLN A 333      -1.750  15.273 -23.828  1.00 90.79           O  
+ATOM   2665  N   PHE A 334      -4.067  10.956 -26.886  1.00 88.61           N  
+ATOM   2666  CA  PHE A 334      -5.290  10.445 -27.494  1.00 88.61           C  
+ATOM   2667  C   PHE A 334      -5.829   9.255 -26.710  1.00 88.61           C  
+ATOM   2668  CB  PHE A 334      -5.041  10.044 -28.951  1.00 88.61           C  
+ATOM   2669  O   PHE A 334      -7.019   9.200 -26.393  1.00 88.61           O  
+ATOM   2670  CG  PHE A 334      -6.233   9.417 -29.621  1.00 88.61           C  
+ATOM   2671  CD1 PHE A 334      -6.341   8.036 -29.729  1.00 88.61           C  
+ATOM   2672  CD2 PHE A 334      -7.248  10.209 -30.143  1.00 88.61           C  
+ATOM   2673  CE1 PHE A 334      -7.444   7.452 -30.349  1.00 88.61           C  
+ATOM   2674  CE2 PHE A 334      -8.353   9.633 -30.763  1.00 88.61           C  
+ATOM   2675  CZ  PHE A 334      -8.449   8.255 -30.866  1.00 88.61           C  
+ATOM   2676  N   VAL A 335      -4.939   8.336 -26.365  1.00 87.27           N  
+ATOM   2677  CA  VAL A 335      -5.332   7.112 -25.675  1.00 87.27           C  
+ATOM   2678  C   VAL A 335      -5.817   7.446 -24.265  1.00 87.27           C  
+ATOM   2679  CB  VAL A 335      -4.168   6.097 -25.612  1.00 87.27           C  
+ATOM   2680  O   VAL A 335      -6.842   6.928 -23.816  1.00 87.27           O  
+ATOM   2681  CG1 VAL A 335      -4.531   4.915 -24.715  1.00 87.27           C  
+ATOM   2682  CG2 VAL A 335      -3.804   5.616 -27.015  1.00 87.27           C  
+ATOM   2683  N   PHE A 336      -5.113   8.334 -23.660  1.00 86.11           N  
+ATOM   2684  CA  PHE A 336      -5.478   8.680 -22.292  1.00 86.11           C  
+ATOM   2685  C   PHE A 336      -6.807   9.424 -22.257  1.00 86.11           C  
+ATOM   2686  CB  PHE A 336      -4.383   9.531 -21.641  1.00 86.11           C  
+ATOM   2687  O   PHE A 336      -7.620   9.212 -21.355  1.00 86.11           O  
+ATOM   2688  CG  PHE A 336      -4.468   9.586 -20.139  1.00 86.11           C  
+ATOM   2689  CD1 PHE A 336      -5.035  10.682 -19.501  1.00 86.11           C  
+ATOM   2690  CD2 PHE A 336      -3.981   8.540 -19.366  1.00 86.11           C  
+ATOM   2691  CE1 PHE A 336      -5.116  10.735 -18.111  1.00 86.11           C  
+ATOM   2692  CE2 PHE A 336      -4.058   8.586 -17.977  1.00 86.11           C  
+ATOM   2693  CZ  PHE A 336      -4.624   9.684 -17.352  1.00 86.11           C  
+ATOM   2694  N   ASP A 337      -7.059  10.307 -23.183  1.00 86.73           N  
+ATOM   2695  CA  ASP A 337      -8.350  10.978 -23.291  1.00 86.73           C  
+ATOM   2696  C   ASP A 337      -9.485   9.967 -23.432  1.00 86.73           C  
+ATOM   2697  CB  ASP A 337      -8.356  11.944 -24.478  1.00 86.73           C  
+ATOM   2698  O   ASP A 337     -10.542  10.121 -22.815  1.00 86.73           O  
+ATOM   2699  CG  ASP A 337      -7.564  13.213 -24.214  1.00 86.73           C  
+ATOM   2700  OD1 ASP A 337      -7.202  13.474 -23.047  1.00 86.73           O  
+ATOM   2701  OD2 ASP A 337      -7.304  13.960 -25.182  1.00 86.73           O  
+ATOM   2702  N   ALA A 338      -9.262   8.972 -24.186  1.00 82.74           N  
+ATOM   2703  CA  ALA A 338     -10.253   7.923 -24.413  1.00 82.74           C  
+ATOM   2704  C   ALA A 338     -10.493   7.111 -23.144  1.00 82.74           C  
+ATOM   2705  CB  ALA A 338      -9.808   7.007 -25.551  1.00 82.74           C  
+ATOM   2706  O   ALA A 338     -11.638   6.806 -22.802  1.00 82.74           O  
+ATOM   2707  N   VAL A 339      -9.430   6.852 -22.376  1.00 81.86           N  
+ATOM   2708  CA  VAL A 339      -9.491   6.047 -21.161  1.00 81.86           C  
+ATOM   2709  C   VAL A 339     -10.230   6.817 -20.068  1.00 81.86           C  
+ATOM   2710  CB  VAL A 339      -8.080   5.650 -20.672  1.00 81.86           C  
+ATOM   2711  O   VAL A 339     -11.037   6.242 -19.333  1.00 81.86           O  
+ATOM   2712  CG1 VAL A 339      -8.150   5.005 -19.289  1.00 81.86           C  
+ATOM   2713  CG2 VAL A 339      -7.416   4.705 -21.673  1.00 81.86           C  
+ATOM   2714  N   THR A 340      -9.987   8.121 -20.026  1.00 80.74           N  
+ATOM   2715  CA  THR A 340     -10.571   8.973 -18.996  1.00 80.74           C  
+ATOM   2716  C   THR A 340     -12.085   9.066 -19.166  1.00 80.74           C  
+ATOM   2717  CB  THR A 340      -9.961  10.386 -19.027  1.00 80.74           C  
+ATOM   2718  O   THR A 340     -12.826   9.078 -18.181  1.00 80.74           O  
+ATOM   2719  CG2 THR A 340     -10.488  11.238 -17.877  1.00 80.74           C  
+ATOM   2720  OG1 THR A 340      -8.535  10.287 -18.919  1.00 80.74           O  
+ATOM   2721  N   ASP A 341     -12.535   9.049 -20.299  1.00 77.02           N  
+ATOM   2722  CA  ASP A 341     -13.969   9.092 -20.568  1.00 77.02           C  
+ATOM   2723  C   ASP A 341     -14.663   7.834 -20.051  1.00 77.02           C  
+ATOM   2724  CB  ASP A 341     -14.230   9.259 -22.066  1.00 77.02           C  
+ATOM   2725  O   ASP A 341     -15.756   7.910 -19.485  1.00 77.02           O  
+ATOM   2726  CG  ASP A 341     -13.943  10.664 -22.565  1.00 77.02           C  
+ATOM   2727  OD1 ASP A 341     -13.810  11.591 -21.737  1.00 77.02           O  
+ATOM   2728  OD2 ASP A 341     -13.851  10.847 -23.799  1.00 77.02           O  
+ATOM   2729  N   VAL A 342     -13.950   6.789 -20.160  1.00 72.27           N  
+ATOM   2730  CA  VAL A 342     -14.462   5.496 -19.718  1.00 72.27           C  
+ATOM   2731  C   VAL A 342     -14.446   5.429 -18.192  1.00 72.27           C  
+ATOM   2732  CB  VAL A 342     -13.642   4.328 -20.311  1.00 72.27           C  
+ATOM   2733  O   VAL A 342     -15.406   4.961 -17.575  1.00 72.27           O  
+ATOM   2734  CG1 VAL A 342     -14.072   2.999 -19.694  1.00 72.27           C  
+ATOM   2735  CG2 VAL A 342     -13.794   4.289 -21.831  1.00 72.27           C  
+ATOM   2736  N   ILE A 343     -13.373   5.923 -17.611  1.00 73.64           N  
+ATOM   2737  CA  ILE A 343     -13.164   5.890 -16.168  1.00 73.64           C  
+ATOM   2738  C   ILE A 343     -14.175   6.803 -15.479  1.00 73.64           C  
+ATOM   2739  CB  ILE A 343     -11.723   6.309 -15.796  1.00 73.64           C  
+ATOM   2740  O   ILE A 343     -14.753   6.437 -14.452  1.00 73.64           O  
+ATOM   2741  CG1 ILE A 343     -10.716   5.276 -16.315  1.00 73.64           C  
+ATOM   2742  CG2 ILE A 343     -11.588   6.494 -14.282  1.00 73.64           C  
+ATOM   2743  CD1 ILE A 343      -9.261   5.684 -16.129  1.00 73.64           C  
+ATOM   2744  N   ILE A 344     -14.456   7.915 -16.109  1.00 71.02           N  
+ATOM   2745  CA  ILE A 344     -15.381   8.907 -15.574  1.00 71.02           C  
+ATOM   2746  C   ILE A 344     -16.811   8.380 -15.661  1.00 71.02           C  
+ATOM   2747  CB  ILE A 344     -15.260  10.254 -16.321  1.00 71.02           C  
+ATOM   2748  O   ILE A 344     -17.599   8.545 -14.727  1.00 71.02           O  
+ATOM   2749  CG1 ILE A 344     -13.897  10.898 -16.044  1.00 71.02           C  
+ATOM   2750  CG2 ILE A 344     -16.401  11.196 -15.926  1.00 71.02           C  
+ATOM   2751  CD1 ILE A 344     -13.652  12.187 -16.817  1.00 71.02           C  
+ATOM   2752  N   LYS A 345     -17.161   7.770 -16.720  1.00 67.42           N  
+ATOM   2753  CA  LYS A 345     -18.493   7.198 -16.891  1.00 67.42           C  
+ATOM   2754  C   LYS A 345     -18.783   6.149 -15.821  1.00 67.42           C  
+ATOM   2755  CB  LYS A 345     -18.638   6.580 -18.283  1.00 67.42           C  
+ATOM   2756  O   LYS A 345     -19.873   6.126 -15.246  1.00 67.42           O  
+ATOM   2757  CG  LYS A 345     -20.075   6.274 -18.678  1.00 67.42           C  
+ATOM   2758  CD  LYS A 345     -20.159   5.720 -20.094  1.00 67.42           C  
+ATOM   2759  CE  LYS A 345     -21.574   5.275 -20.438  1.00 67.42           C  
+ATOM   2760  NZ  LYS A 345     -21.672   4.775 -21.843  1.00 67.42           N  
+ATOM   2761  N   ASN A 346     -17.826   5.389 -15.455  1.00 64.77           N  
+ATOM   2762  CA  ASN A 346     -17.987   4.288 -14.511  1.00 64.77           C  
+ATOM   2763  C   ASN A 346     -17.943   4.777 -13.066  1.00 64.77           C  
+ATOM   2764  CB  ASN A 346     -16.915   3.221 -14.743  1.00 64.77           C  
+ATOM   2765  O   ASN A 346     -18.649   4.248 -12.206  1.00 64.77           O  
+ATOM   2766  CG  ASN A 346     -17.190   2.373 -15.969  1.00 64.77           C  
+ATOM   2767  ND2 ASN A 346     -16.155   1.717 -16.480  1.00 64.77           N  
+ATOM   2768  OD1 ASN A 346     -18.322   2.310 -16.453  1.00 64.77           O  
+ATOM   2769  N   ASN A 347     -17.084   5.815 -12.813  1.00 60.03           N  
+ATOM   2770  CA  ASN A 347     -16.916   6.420 -11.496  1.00 60.03           C  
+ATOM   2771  C   ASN A 347     -18.124   7.269 -11.111  1.00 60.03           C  
+ATOM   2772  CB  ASN A 347     -15.639   7.262 -11.450  1.00 60.03           C  
+ATOM   2773  O   ASN A 347     -18.526   7.292  -9.946  1.00 60.03           O  
+ATOM   2774  CG  ASN A 347     -14.570   6.654 -10.563  1.00 60.03           C  
+ATOM   2775  ND2 ASN A 347     -13.310   6.900 -10.899  1.00 60.03           N  
+ATOM   2776  OD1 ASN A 347     -14.876   5.969  -9.583  1.00 60.03           O  
+ATOM   2777  N   LEU A 348     -18.798   7.922 -12.040  1.00 54.44           N  
+ATOM   2778  CA  LEU A 348     -19.978   8.754 -11.834  1.00 54.44           C  
+ATOM   2779  C   LEU A 348     -21.225   7.895 -11.653  1.00 54.44           C  
+ATOM   2780  CB  LEU A 348     -20.171   9.712 -13.013  1.00 54.44           C  
+ATOM   2781  O   LEU A 348     -22.156   8.285 -10.945  1.00 54.44           O  
+ATOM   2782  CG  LEU A 348     -19.203  10.893 -13.092  1.00 54.44           C  
+ATOM   2783  CD1 LEU A 348     -19.319  11.584 -14.447  1.00 54.44           C  
+ATOM   2784  CD2 LEU A 348     -19.468  11.879 -11.960  1.00 54.44           C  
+ATOM   2785  N   LYS A 349     -21.266   6.677 -12.178  1.00 53.72           N  
+ATOM   2786  CA  LYS A 349     -22.344   5.723 -11.934  1.00 53.72           C  
+ATOM   2787  C   LYS A 349     -22.326   5.230 -10.490  1.00 53.72           C  
+ATOM   2788  CB  LYS A 349     -22.239   4.537 -12.894  1.00 53.72           C  
+ATOM   2789  O   LYS A 349     -23.378   5.087  -9.864  1.00 53.72           O  
+ATOM   2790  CG  LYS A 349     -22.956   4.748 -14.219  1.00 53.72           C  
+ATOM   2791  CD  LYS A 349     -22.933   3.488 -15.074  1.00 53.72           C  
+ATOM   2792  CE  LYS A 349     -23.563   3.726 -16.440  1.00 53.72           C  
+ATOM   2793  NZ  LYS A 349     -23.545   2.491 -17.281  1.00 53.72           N  
+ATOM   2794  N   ASP A 350     -21.199   5.139  -9.874  1.00 47.62           N  
+ATOM   2795  CA  ASP A 350     -20.979   4.625  -8.526  1.00 47.62           C  
+ATOM   2796  C   ASP A 350     -21.263   5.696  -7.476  1.00 47.62           C  
+ATOM   2797  CB  ASP A 350     -19.547   4.107  -8.376  1.00 47.62           C  
+ATOM   2798  O   ASP A 350     -21.666   5.383  -6.354  1.00 47.62           O  
+ATOM   2799  CG  ASP A 350     -19.332   2.757  -9.038  1.00 47.62           C  
+ATOM   2800  OD1 ASP A 350     -20.325   2.078  -9.376  1.00 47.62           O  
+ATOM   2801  OD2 ASP A 350     -18.158   2.368  -9.221  1.00 47.62           O  
+ATOM   2802  N   CYS A 351     -21.320   6.990  -7.871  1.00 42.01           N  
+ATOM   2803  CA  CYS A 351     -21.584   8.114  -6.981  1.00 42.01           C  
+ATOM   2804  C   CYS A 351     -23.025   8.591  -7.118  1.00 42.01           C  
+ATOM   2805  CB  CYS A 351     -20.626   9.268  -7.275  1.00 42.01           C  
+ATOM   2806  O   CYS A 351     -23.449   9.509  -6.414  1.00 42.01           O  
+ATOM   2807  SG  CYS A 351     -18.897   8.888  -6.912  1.00 42.01           S  
+ATOM   2808  N   GLY A 352     -23.964   7.848  -7.876  1.00 33.64           N  
+ATOM   2809  CA  GLY A 352     -25.373   8.200  -7.943  1.00 33.64           C  
+ATOM   2810  C   GLY A 352     -25.629   9.500  -8.684  1.00 33.64           C  
+ATOM   2811  O   GLY A 352     -26.670  10.133  -8.496  1.00 33.64           O  
+ATOM   2812  N   LEU A 353     -24.769  10.049  -9.481  1.00 37.57           N  
+ATOM   2813  CA  LEU A 353     -24.889  11.289 -10.241  1.00 37.57           C  
+ATOM   2814  C   LEU A 353     -25.252  11.004 -11.694  1.00 37.57           C  
+ATOM   2815  CB  LEU A 353     -23.583  12.086 -10.176  1.00 37.57           C  
+ATOM   2816  O   LEU A 353     -25.546  11.926 -12.458  1.00 37.57           O  
+ATOM   2817  CG  LEU A 353     -23.296  12.812  -8.861  1.00 37.57           C  
+ATOM   2818  CD1 LEU A 353     -21.811  13.140  -8.749  1.00 37.57           C  
+ATOM   2819  CD2 LEU A 353     -24.139  14.079  -8.755  1.00 37.57           C  
+ATOM   2820  N   PHE A 354     -25.840   9.791 -11.996  1.00 37.22           N  
+ATOM   2821  CA  PHE A 354     -26.754   9.377 -13.053  1.00 37.22           C  
+ATOM   2822  C   PHE A 354     -27.636   8.225 -12.586  1.00 37.22           C  
+ATOM   2823  CB  PHE A 354     -25.977   8.968 -14.308  1.00 37.22           C  
+ATOM   2824  O   PHE A 354     -27.172   7.330 -11.875  1.00 37.22           O  
+ATOM   2825  CG  PHE A 354     -25.506  10.132 -15.137  1.00 37.22           C  
+ATOM   2826  CD1 PHE A 354     -26.349  10.727 -16.068  1.00 37.22           C  
+ATOM   2827  CD2 PHE A 354     -24.219  10.632 -14.985  1.00 37.22           C  
+ATOM   2828  CE1 PHE A 354     -25.916  11.805 -16.836  1.00 37.22           C  
+ATOM   2829  CE2 PHE A 354     -23.779  11.709 -15.750  1.00 37.22           C  
+ATOM   2830  CZ  PHE A 354     -24.629  12.293 -16.675  1.00 37.22           C  
+ATOM   2831  N   MET B 555      19.276 -38.052   9.084  1.00 58.75           N  
+ATOM   2832  CA  MET B 555      18.453 -36.969   9.613  1.00 58.75           C  
+ATOM   2833  C   MET B 555      19.310 -35.761   9.977  1.00 58.75           C  
+ATOM   2834  CB  MET B 555      17.666 -37.440  10.837  1.00 58.75           C  
+ATOM   2835  O   MET B 555      20.363 -35.907  10.600  1.00 58.75           O  
+ATOM   2836  CG  MET B 555      16.207 -37.011  10.831  1.00 58.75           C  
+ATOM   2837  SD  MET B 555      15.318 -37.521  12.353  1.00 58.75           S  
+ATOM   2838  CE  MET B 555      15.889 -39.237  12.498  1.00 58.75           C  
+ATOM   2839  N   SER B 556      19.256 -34.613   9.262  1.00 84.55           N  
+ATOM   2840  CA  SER B 556      19.990 -33.363   9.437  1.00 84.55           C  
+ATOM   2841  C   SER B 556      19.954 -32.900  10.890  1.00 84.55           C  
+ATOM   2842  CB  SER B 556      19.417 -32.273   8.531  1.00 84.55           C  
+ATOM   2843  O   SER B 556      19.049 -33.266  11.642  1.00 84.55           O  
+ATOM   2844  OG  SER B 556      18.240 -31.719   9.094  1.00 84.55           O  
+ATOM   2845  N   GLU B 557      21.033 -32.710  11.617  1.00 90.06           N  
+ATOM   2846  CA  GLU B 557      21.192 -32.105  12.936  1.00 90.06           C  
+ATOM   2847  C   GLU B 557      20.042 -31.151  13.248  1.00 90.06           C  
+ATOM   2848  CB  GLU B 557      22.529 -31.366  13.031  1.00 90.06           C  
+ATOM   2849  O   GLU B 557      19.535 -31.127  14.371  1.00 90.06           O  
+ATOM   2850  CG  GLU B 557      22.926 -30.995  14.453  1.00 90.06           C  
+ATOM   2851  CD  GLU B 557      24.293 -30.333  14.540  1.00 90.06           C  
+ATOM   2852  OE1 GLU B 557      24.691 -29.908  15.648  1.00 90.06           O  
+ATOM   2853  OE2 GLU B 557      24.970 -30.239  13.492  1.00 90.06           O  
+ATOM   2854  N   LEU B 558      19.547 -30.475  12.348  1.00 81.91           N  
+ATOM   2855  CA  LEU B 558      18.428 -29.553  12.507  1.00 81.91           C  
+ATOM   2856  C   LEU B 558      17.129 -30.313  12.753  1.00 81.91           C  
+ATOM   2857  CB  LEU B 558      18.286 -28.665  11.268  1.00 81.91           C  
+ATOM   2858  O   LEU B 558      16.325 -29.916  13.600  1.00 81.91           O  
+ATOM   2859  CG  LEU B 558      17.574 -27.326  11.472  1.00 81.91           C  
+ATOM   2860  CD1 LEU B 558      18.587 -26.186  11.500  1.00 81.91           C  
+ATOM   2861  CD2 LEU B 558      16.537 -27.100  10.377  1.00 81.91           C  
+ATOM   2862  N   ASP B 559      16.986 -31.369  12.110  1.00 84.27           N  
+ATOM   2863  CA  ASP B 559      15.795 -32.200  12.262  1.00 84.27           C  
+ATOM   2864  C   ASP B 559      15.770 -32.880  13.629  1.00 84.27           C  
+ATOM   2865  CB  ASP B 559      15.729 -33.250  11.151  1.00 84.27           C  
+ATOM   2866  O   ASP B 559      14.711 -32.996  14.250  1.00 84.27           O  
+ATOM   2867  CG  ASP B 559      15.320 -32.669   9.809  1.00 84.27           C  
+ATOM   2868  OD1 ASP B 559      14.693 -31.588   9.778  1.00 84.27           O  
+ATOM   2869  OD2 ASP B 559      15.626 -33.298   8.773  1.00 84.27           O  
+ATOM   2870  N   GLN B 560      16.901 -33.174  14.118  1.00 88.30           N  
+ATOM   2871  CA  GLN B 560      17.037 -33.769  15.443  1.00 88.30           C  
+ATOM   2872  C   GLN B 560      16.696 -32.760  16.537  1.00 88.30           C  
+ATOM   2873  CB  GLN B 560      18.454 -34.306  15.648  1.00 88.30           C  
+ATOM   2874  O   GLN B 560      15.993 -33.089  17.494  1.00 88.30           O  
+ATOM   2875  CG  GLN B 560      18.706 -35.650  14.978  1.00 88.30           C  
+ATOM   2876  CD  GLN B 560      20.135 -36.131  15.146  1.00 88.30           C  
+ATOM   2877  NE2 GLN B 560      20.462 -37.251  14.510  1.00 88.30           N  
+ATOM   2878  OE1 GLN B 560      20.938 -35.502  15.841  1.00 88.30           O  
+ATOM   2879  N   LEU B 561      17.165 -31.582  16.358  1.00 89.13           N  
+ATOM   2880  CA  LEU B 561      16.894 -30.521  17.322  1.00 89.13           C  
+ATOM   2881  C   LEU B 561      15.414 -30.152  17.322  1.00 89.13           C  
+ATOM   2882  CB  LEU B 561      17.740 -29.284  17.010  1.00 89.13           C  
+ATOM   2883  O   LEU B 561      14.837 -29.884  18.378  1.00 89.13           O  
+ATOM   2884  CG  LEU B 561      19.227 -29.375  17.357  1.00 89.13           C  
+ATOM   2885  CD1 LEU B 561      19.980 -28.181  16.779  1.00 89.13           C  
+ATOM   2886  CD2 LEU B 561      19.421 -29.456  18.867  1.00 89.13           C  
+ATOM   2887  N   ARG B 562      14.797 -30.196  16.181  1.00 83.59           N  
+ATOM   2888  CA  ARG B 562      13.368 -29.917  16.074  1.00 83.59           C  
+ATOM   2889  C   ARG B 562      12.547 -30.976  16.801  1.00 83.59           C  
+ATOM   2890  CB  ARG B 562      12.943 -29.840  14.606  1.00 83.59           C  
+ATOM   2891  O   ARG B 562      11.586 -30.652  17.501  1.00 83.59           O  
+ATOM   2892  CG  ARG B 562      13.238 -28.502  13.949  1.00 83.59           C  
+ATOM   2893  CD  ARG B 562      12.755 -28.464  12.505  1.00 83.59           C  
+ATOM   2894  NE  ARG B 562      13.094 -27.200  11.856  1.00 83.59           N  
+ATOM   2895  NH1 ARG B 562      12.382 -27.850   9.757  1.00 83.59           N  
+ATOM   2896  NH2 ARG B 562      13.254 -25.755  10.079  1.00 83.59           N  
+ATOM   2897  CZ  ARG B 562      12.909 -26.938  10.566  1.00 83.59           C  
+ATOM   2898  N   GLN B 563      12.964 -32.138  16.585  1.00 88.83           N  
+ATOM   2899  CA  GLN B 563      12.276 -33.243  17.243  1.00 88.83           C  
+ATOM   2900  C   GLN B 563      12.430 -33.162  18.759  1.00 88.83           C  
+ATOM   2901  CB  GLN B 563      12.803 -34.585  16.733  1.00 88.83           C  
+ATOM   2902  O   GLN B 563      11.467 -33.379  19.499  1.00 88.83           O  
+ATOM   2903  CG  GLN B 563      11.886 -35.762  17.037  1.00 88.83           C  
+ATOM   2904  CD  GLN B 563      12.356 -37.054  16.396  1.00 88.83           C  
+ATOM   2905  NE2 GLN B 563      11.522 -38.086  16.461  1.00 88.83           N  
+ATOM   2906  OE1 GLN B 563      13.459 -37.123  15.845  1.00 88.83           O  
+ATOM   2907  N   GLU B 564      13.608 -32.872  19.135  1.00 93.04           N  
+ATOM   2908  CA  GLU B 564      13.869 -32.715  20.563  1.00 93.04           C  
+ATOM   2909  C   GLU B 564      13.035 -31.581  21.154  1.00 93.04           C  
+ATOM   2910  CB  GLU B 564      15.357 -32.459  20.812  1.00 93.04           C  
+ATOM   2911  O   GLU B 564      12.487 -31.714  22.250  1.00 93.04           O  
+ATOM   2912  CG  GLU B 564      15.758 -32.543  22.278  1.00 93.04           C  
+ATOM   2913  CD  GLU B 564      17.247 -32.336  22.506  1.00 93.04           C  
+ATOM   2914  OE1 GLU B 564      17.687 -32.327  23.678  1.00 93.04           O  
+ATOM   2915  OE2 GLU B 564      17.980 -32.181  21.503  1.00 93.04           O  
+ATOM   2916  N   ALA B 565      12.988 -30.467  20.519  1.00 85.00           N  
+ATOM   2917  CA  ALA B 565      12.191 -29.327  20.963  1.00 85.00           C  
+ATOM   2918  C   ALA B 565      10.720 -29.707  21.102  1.00 85.00           C  
+ATOM   2919  CB  ALA B 565      12.346 -28.159  19.993  1.00 85.00           C  
+ATOM   2920  O   ALA B 565      10.072 -29.356  22.091  1.00 85.00           O  
+ATOM   2921  N   GLU B 566      10.243 -30.435  20.143  1.00 86.49           N  
+ATOM   2922  CA  GLU B 566       8.851 -30.876  20.170  1.00 86.49           C  
+ATOM   2923  C   GLU B 566       8.591 -31.810  21.348  1.00 86.49           C  
+ATOM   2924  CB  GLU B 566       8.482 -31.571  18.857  1.00 86.49           C  
+ATOM   2925  O   GLU B 566       7.552 -31.714  22.005  1.00 86.49           O  
+ATOM   2926  CG  GLU B 566       6.983 -31.701  18.630  1.00 86.49           C  
+ATOM   2927  CD  GLU B 566       6.275 -30.360  18.521  1.00 86.49           C  
+ATOM   2928  OE1 GLU B 566       5.036 -30.312  18.695  1.00 86.49           O  
+ATOM   2929  OE2 GLU B 566       6.964 -29.349  18.259  1.00 86.49           O  
+ATOM   2930  N   GLN B 567       9.522 -32.669  21.592  1.00 91.63           N  
+ATOM   2931  CA  GLN B 567       9.414 -33.583  22.724  1.00 91.63           C  
+ATOM   2932  C   GLN B 567       9.380 -32.821  24.046  1.00 91.63           C  
+ATOM   2933  CB  GLN B 567      10.575 -34.580  22.722  1.00 91.63           C  
+ATOM   2934  O   GLN B 567       8.583 -33.138  24.931  1.00 91.63           O  
+ATOM   2935  CG  GLN B 567      10.370 -35.764  23.657  1.00 91.63           C  
+ATOM   2936  CD  GLN B 567      11.501 -36.772  23.584  1.00 91.63           C  
+ATOM   2937  NE2 GLN B 567      11.390 -37.846  24.358  1.00 91.63           N  
+ATOM   2938  OE1 GLN B 567      12.467 -36.588  22.836  1.00 91.63           O  
+ATOM   2939  N   LEU B 568      10.212 -31.861  24.181  1.00 90.45           N  
+ATOM   2940  CA  LEU B 568      10.258 -31.044  25.388  1.00 90.45           C  
+ATOM   2941  C   LEU B 568       8.956 -30.272  25.572  1.00 90.45           C  
+ATOM   2942  CB  LEU B 568      11.438 -30.071  25.333  1.00 90.45           C  
+ATOM   2943  O   LEU B 568       8.454 -30.151  26.692  1.00 90.45           O  
+ATOM   2944  CG  LEU B 568      12.824 -30.672  25.574  1.00 90.45           C  
+ATOM   2945  CD1 LEU B 568      13.909 -29.669  25.199  1.00 90.45           C  
+ATOM   2946  CD2 LEU B 568      12.972 -31.110  27.027  1.00 90.45           C  
+ATOM   2947  N   LYS B 569       8.433 -29.793  24.517  1.00 84.57           N  
+ATOM   2948  CA  LYS B 569       7.158 -29.084  24.575  1.00 84.57           C  
+ATOM   2949  C   LYS B 569       6.046 -29.992  25.093  1.00 84.57           C  
+ATOM   2950  CB  LYS B 569       6.787 -28.534  23.197  1.00 84.57           C  
+ATOM   2951  O   LYS B 569       5.223 -29.570  25.907  1.00 84.57           O  
+ATOM   2952  CG  LYS B 569       7.576 -27.298  22.790  1.00 84.57           C  
+ATOM   2953  CD  LYS B 569       7.124 -26.767  21.436  1.00 84.57           C  
+ATOM   2954  CE  LYS B 569       7.933 -25.548  21.014  1.00 84.57           C  
+ATOM   2955  NZ  LYS B 569       7.538 -25.063  19.658  1.00 84.57           N  
+ATOM   2956  N   ASN B 570       6.038 -31.202  24.617  1.00 86.41           N  
+ATOM   2957  CA  ASN B 570       5.053 -32.180  25.068  1.00 86.41           C  
+ATOM   2958  C   ASN B 570       5.216 -32.496  26.552  1.00 86.41           C  
+ATOM   2959  CB  ASN B 570       5.150 -33.462  24.238  1.00 86.41           C  
+ATOM   2960  O   ASN B 570       4.227 -32.657  27.269  1.00 86.41           O  
+ATOM   2961  CG  ASN B 570       4.573 -33.301  22.845  1.00 86.41           C  
+ATOM   2962  ND2 ASN B 570       4.987 -34.167  21.928  1.00 86.41           N  
+ATOM   2963  OD1 ASN B 570       3.763 -32.404  22.595  1.00 86.41           O  
+ATOM   2964  N   GLN B 571       6.429 -32.561  26.988  1.00 89.85           N  
+ATOM   2965  CA  GLN B 571       6.714 -32.815  28.396  1.00 89.85           C  
+ATOM   2966  C   GLN B 571       6.185 -31.686  29.277  1.00 89.85           C  
+ATOM   2967  CB  GLN B 571       8.217 -32.992  28.616  1.00 89.85           C  
+ATOM   2968  O   GLN B 571       5.631 -31.937  30.350  1.00 89.85           O  
+ATOM   2969  CG  GLN B 571       8.764 -34.313  28.093  1.00 89.85           C  
+ATOM   2970  CD  GLN B 571      10.267 -34.434  28.260  1.00 89.85           C  
+ATOM   2971  NE2 GLN B 571      10.830 -35.540  27.786  1.00 89.85           N  
+ATOM   2972  OE1 GLN B 571      10.918 -33.539  28.810  1.00 89.85           O  
+ATOM   2973  N   ILE B 572       6.395 -30.488  28.826  1.00 85.53           N  
+ATOM   2974  CA  ILE B 572       5.908 -29.321  29.555  1.00 85.53           C  
+ATOM   2975  C   ILE B 572       4.383 -29.357  29.626  1.00 85.53           C  
+ATOM   2976  CB  ILE B 572       6.384 -28.006  28.900  1.00 85.53           C  
+ATOM   2977  O   ILE B 572       3.798 -29.113  30.684  1.00 85.53           O  
+ATOM   2978  CG1 ILE B 572       7.898 -27.838  29.077  1.00 85.53           C  
+ATOM   2979  CG2 ILE B 572       5.629 -26.808  29.483  1.00 85.53           C  
+ATOM   2980  CD1 ILE B 572       8.482 -26.654  28.319  1.00 85.53           C  
+ATOM   2981  N   ARG B 573       3.783 -29.724  28.524  1.00 83.93           N  
+ATOM   2982  CA  ARG B 573       2.327 -29.818  28.484  1.00 83.93           C  
+ATOM   2983  C   ARG B 573       1.818 -30.856  29.479  1.00 83.93           C  
+ATOM   2984  CB  ARG B 573       1.848 -30.166  27.073  1.00 83.93           C  
+ATOM   2985  O   ARG B 573       0.854 -30.607  30.206  1.00 83.93           O  
+ATOM   2986  CG  ARG B 573       0.340 -30.084  26.897  1.00 83.93           C  
+ATOM   2987  CD  ARG B 573      -0.086 -30.491  25.493  1.00 83.93           C  
+ATOM   2988  NE  ARG B 573       0.529 -29.643  24.476  1.00 83.93           N  
+ATOM   2989  NH1 ARG B 573      -0.269 -30.862  22.682  1.00 83.93           N  
+ATOM   2990  NH2 ARG B 573       1.028 -29.006  22.327  1.00 83.93           N  
+ATOM   2991  CZ  ARG B 573       0.428 -29.839  23.164  1.00 83.93           C  
+ATOM   2992  N   ASP B 574       2.439 -31.967  29.511  1.00 87.22           N  
+ATOM   2993  CA  ASP B 574       2.057 -33.040  30.423  1.00 87.22           C  
+ATOM   2994  C   ASP B 574       2.264 -32.625  31.878  1.00 87.22           C  
+ATOM   2995  CB  ASP B 574       2.854 -34.311  30.121  1.00 87.22           C  
+ATOM   2996  O   ASP B 574       1.433 -32.922  32.738  1.00 87.22           O  
+ATOM   2997  CG  ASP B 574       2.441 -34.975  28.819  1.00 87.22           C  
+ATOM   2998  OD1 ASP B 574       1.343 -34.673  28.302  1.00 87.22           O  
+ATOM   2999  OD2 ASP B 574       3.218 -35.809  28.307  1.00 87.22           O  
+ATOM   3000  N   ALA B 575       3.361 -31.962  32.101  1.00 87.71           N  
+ATOM   3001  CA  ALA B 575       3.648 -31.479  33.450  1.00 87.71           C  
+ATOM   3002  C   ALA B 575       2.592 -30.479  33.910  1.00 87.71           C  
+ATOM   3003  CB  ALA B 575       5.036 -30.846  33.504  1.00 87.71           C  
+ATOM   3004  O   ALA B 575       2.168 -30.503  35.068  1.00 87.71           O  
+ATOM   3005  N   ARG B 576       2.199 -29.650  33.031  1.00 84.75           N  
+ATOM   3006  CA  ARG B 576       1.162 -28.673  33.349  1.00 84.75           C  
+ATOM   3007  C   ARG B 576      -0.157 -29.363  33.681  1.00 84.75           C  
+ATOM   3008  CB  ARG B 576       0.966 -27.699  32.185  1.00 84.75           C  
+ATOM   3009  O   ARG B 576      -0.829 -28.997  34.647  1.00 84.75           O  
+ATOM   3010  CG  ARG B 576       2.081 -26.675  32.043  1.00 84.75           C  
+ATOM   3011  CD  ARG B 576       1.892 -25.802  30.810  1.00 84.75           C  
+ATOM   3012  NE  ARG B 576       2.913 -24.762  30.725  1.00 84.75           N  
+ATOM   3013  NH1 ARG B 576       2.299 -24.043  28.617  1.00 84.75           N  
+ATOM   3014  NH2 ARG B 576       4.044 -23.038  29.713  1.00 84.75           N  
+ATOM   3015  CZ  ARG B 576       3.083 -23.950  29.685  1.00 84.75           C  
+ATOM   3016  N   LYS B 577      -0.486 -30.362  32.883  1.00 85.02           N  
+ATOM   3017  CA  LYS B 577      -1.721 -31.114  33.086  1.00 85.02           C  
+ATOM   3018  C   LYS B 577      -1.697 -31.860  34.417  1.00 85.02           C  
+ATOM   3019  CB  LYS B 577      -1.945 -32.099  31.938  1.00 85.02           C  
+ATOM   3020  O   LYS B 577      -2.716 -31.946  35.105  1.00 85.02           O  
+ATOM   3021  CG  LYS B 577      -2.582 -31.477  30.704  1.00 85.02           C  
+ATOM   3022  CD  LYS B 577      -2.902 -32.528  29.649  1.00 85.02           C  
+ATOM   3023  CE  LYS B 577      -3.436 -31.895  28.371  1.00 85.02           C  
+ATOM   3024  NZ  LYS B 577      -3.748 -32.922  27.333  1.00 85.02           N  
+ATOM   3025  N   ALA B 578      -0.563 -32.322  34.768  1.00 87.39           N  
+ATOM   3026  CA  ALA B 578      -0.408 -33.104  35.992  1.00 87.39           C  
+ATOM   3027  C   ALA B 578      -0.640 -32.239  37.228  1.00 87.39           C  
+ATOM   3028  CB  ALA B 578       0.978 -33.741  36.045  1.00 87.39           C  
+ATOM   3029  O   ALA B 578      -1.106 -32.730  38.259  1.00 87.39           O  
+ATOM   3030  N   CYS B 579      -0.364 -30.948  37.126  1.00 86.42           N  
+ATOM   3031  CA  CYS B 579      -0.472 -30.049  38.270  1.00 86.42           C  
+ATOM   3032  C   CYS B 579      -1.827 -29.351  38.288  1.00 86.42           C  
+ATOM   3033  CB  CYS B 579       0.647 -29.009  38.242  1.00 86.42           C  
+ATOM   3034  O   CYS B 579      -2.113 -28.566  39.194  1.00 86.42           O  
+ATOM   3035  SG  CYS B 579       2.301 -29.714  38.418  1.00 86.42           S  
+ATOM   3036  N   ALA B 580      -2.672 -29.631  37.285  1.00 84.62           N  
+ATOM   3037  CA  ALA B 580      -3.974 -28.976  37.189  1.00 84.62           C  
+ATOM   3038  C   ALA B 580      -4.939 -29.518  38.240  1.00 84.62           C  
+ATOM   3039  CB  ALA B 580      -4.559 -29.158  35.791  1.00 84.62           C  
+ATOM   3040  O   ALA B 580      -5.292 -30.700  38.218  1.00 84.62           O  
+ATOM   3041  N   ASP B 581      -5.285 -28.752  39.267  1.00 89.19           N  
+ATOM   3042  CA  ASP B 581      -6.094 -29.225  40.387  1.00 89.19           C  
+ATOM   3043  C   ASP B 581      -7.573 -28.916  40.166  1.00 89.19           C  
+ATOM   3044  CB  ASP B 581      -5.615 -28.595  41.697  1.00 89.19           C  
+ATOM   3045  O   ASP B 581      -8.442 -29.572  40.743  1.00 89.19           O  
+ATOM   3046  CG  ASP B 581      -5.540 -27.080  41.634  1.00 89.19           C  
+ATOM   3047  OD1 ASP B 581      -5.568 -26.513  40.521  1.00 89.19           O  
+ATOM   3048  OD2 ASP B 581      -5.448 -26.447  42.708  1.00 89.19           O  
+ATOM   3049  N   ALA B 582      -7.985 -27.959  39.391  1.00 91.10           N  
+ATOM   3050  CA  ALA B 582      -9.374 -27.584  39.140  1.00 91.10           C  
+ATOM   3051  C   ALA B 582      -9.499 -26.772  37.854  1.00 91.10           C  
+ATOM   3052  CB  ALA B 582      -9.934 -26.794  40.321  1.00 91.10           C  
+ATOM   3053  O   ALA B 582      -8.512 -26.220  37.362  1.00 91.10           O  
+ATOM   3054  N   THR B 583     -10.665 -26.814  37.221  1.00 91.90           N  
+ATOM   3055  CA  THR B 583     -10.950 -25.965  36.070  1.00 91.90           C  
+ATOM   3056  C   THR B 583     -11.714 -24.715  36.496  1.00 91.90           C  
+ATOM   3057  CB  THR B 583     -11.759 -26.725  35.002  1.00 91.90           C  
+ATOM   3058  O   THR B 583     -12.285 -24.671  37.588  1.00 91.90           O  
+ATOM   3059  CG2 THR B 583     -11.080 -28.039  34.630  1.00 91.90           C  
+ATOM   3060  OG1 THR B 583     -13.068 -27.004  35.512  1.00 91.90           O  
+ATOM   3061  N   LEU B 584     -11.596 -23.669  35.685  1.00 92.58           N  
+ATOM   3062  CA  LEU B 584     -12.340 -22.447  35.968  1.00 92.58           C  
+ATOM   3063  C   LEU B 584     -13.834 -22.733  36.074  1.00 92.58           C  
+ATOM   3064  CB  LEU B 584     -12.085 -21.400  34.881  1.00 92.58           C  
+ATOM   3065  O   LEU B 584     -14.517 -22.179  36.939  1.00 92.58           O  
+ATOM   3066  CG  LEU B 584     -12.692 -20.016  35.116  1.00 92.58           C  
+ATOM   3067  CD1 LEU B 584     -12.143 -19.408  36.402  1.00 92.58           C  
+ATOM   3068  CD2 LEU B 584     -12.418 -19.102  33.927  1.00 92.58           C  
+ATOM   3069  N   SER B 585     -14.338 -23.636  35.307  1.00 92.48           N  
+ATOM   3070  CA  SER B 585     -15.748 -24.011  35.329  1.00 92.48           C  
+ATOM   3071  C   SER B 585     -16.133 -24.636  36.665  1.00 92.48           C  
+ATOM   3072  CB  SER B 585     -16.062 -24.984  34.192  1.00 92.48           C  
+ATOM   3073  O   SER B 585     -17.199 -24.341  37.211  1.00 92.48           O  
+ATOM   3074  OG  SER B 585     -17.434 -25.339  34.199  1.00 92.48           O  
+ATOM   3075  N   GLN B 586     -15.241 -25.457  37.206  1.00 94.00           N  
+ATOM   3076  CA  GLN B 586     -15.480 -26.107  38.490  1.00 94.00           C  
+ATOM   3077  C   GLN B 586     -15.490 -25.091  39.628  1.00 94.00           C  
+ATOM   3078  CB  GLN B 586     -14.423 -27.181  38.754  1.00 94.00           C  
+ATOM   3079  O   GLN B 586     -16.355 -25.141  40.505  1.00 94.00           O  
+ATOM   3080  CG  GLN B 586     -14.569 -28.417  37.877  1.00 94.00           C  
+ATOM   3081  CD  GLN B 586     -13.385 -29.358  37.988  1.00 94.00           C  
+ATOM   3082  NE2 GLN B 586     -13.602 -30.627  37.656  1.00 94.00           N  
+ATOM   3083  OE1 GLN B 586     -12.283 -28.949  38.367  1.00 94.00           O  
+ATOM   3084  N   ILE B 587     -14.621 -24.128  39.528  1.00 94.12           N  
+ATOM   3085  CA  ILE B 587     -14.435 -23.166  40.609  1.00 94.12           C  
+ATOM   3086  C   ILE B 587     -15.575 -22.151  40.598  1.00 94.12           C  
+ATOM   3087  CB  ILE B 587     -13.073 -22.445  40.496  1.00 94.12           C  
+ATOM   3088  O   ILE B 587     -15.971 -21.641  41.648  1.00 94.12           O  
+ATOM   3089  CG1 ILE B 587     -11.924 -23.439  40.694  1.00 94.12           C  
+ATOM   3090  CG2 ILE B 587     -12.985 -21.296  41.505  1.00 94.12           C  
+ATOM   3091  CD1 ILE B 587     -10.540 -22.833  40.501  1.00 94.12           C  
+ATOM   3092  N   THR B 588     -16.129 -21.981  39.461  1.00 94.98           N  
+ATOM   3093  CA  THR B 588     -17.137 -20.932  39.347  1.00 94.98           C  
+ATOM   3094  C   THR B 588     -18.534 -21.534  39.235  1.00 94.98           C  
+ATOM   3095  CB  THR B 588     -16.866 -20.027  38.131  1.00 94.98           C  
+ATOM   3096  O   THR B 588     -19.478 -20.855  38.826  1.00 94.98           O  
+ATOM   3097  CG2 THR B 588     -15.528 -19.309  38.267  1.00 94.98           C  
+ATOM   3098  OG1 THR B 588     -16.848 -20.827  36.942  1.00 94.98           O  
+ATOM   3099  N   ASN B 589     -18.677 -22.771  39.685  1.00 94.27           N  
+ATOM   3100  CA  ASN B 589     -19.937 -23.489  39.527  1.00 94.27           C  
+ATOM   3101  C   ASN B 589     -21.069 -22.810  40.293  1.00 94.27           C  
+ATOM   3102  CB  ASN B 589     -19.787 -24.943  39.979  1.00 94.27           C  
+ATOM   3103  O   ASN B 589     -22.222 -22.839  39.859  1.00 94.27           O  
+ATOM   3104  CG  ASN B 589     -20.984 -25.796  39.609  1.00 94.27           C  
+ATOM   3105  ND2 ASN B 589     -21.227 -26.846  40.385  1.00 94.27           N  
+ATOM   3106  OD1 ASN B 589     -21.684 -25.515  38.633  1.00 94.27           O  
+ATOM   3107  N   ASN B 590     -20.697 -22.106  41.384  1.00 95.45           N  
+ATOM   3108  CA  ASN B 590     -21.718 -21.521  42.247  1.00 95.45           C  
+ATOM   3109  C   ASN B 590     -21.987 -20.062  41.889  1.00 95.45           C  
+ATOM   3110  CB  ASN B 590     -21.309 -21.640  43.717  1.00 95.45           C  
+ATOM   3111  O   ASN B 590     -22.796 -19.398  42.539  1.00 95.45           O  
+ATOM   3112  CG  ASN B 590     -21.252 -23.078  44.193  1.00 95.45           C  
+ATOM   3113  ND2 ASN B 590     -20.333 -23.364  45.107  1.00 95.45           N  
+ATOM   3114  OD1 ASN B 590     -22.028 -23.925  43.742  1.00 95.45           O  
+ATOM   3115  N   ILE B 591     -21.334 -19.654  40.851  1.00 94.97           N  
+ATOM   3116  CA  ILE B 591     -21.531 -18.280  40.403  1.00 94.97           C  
+ATOM   3117  C   ILE B 591     -22.590 -18.243  39.303  1.00 94.97           C  
+ATOM   3118  CB  ILE B 591     -20.212 -17.655  39.898  1.00 94.97           C  
+ATOM   3119  O   ILE B 591     -22.529 -19.021  38.348  1.00 94.97           O  
+ATOM   3120  CG1 ILE B 591     -19.174 -17.616  41.025  1.00 94.97           C  
+ATOM   3121  CG2 ILE B 591     -20.460 -16.253  39.333  1.00 94.97           C  
+ATOM   3122  CD1 ILE B 591     -17.810 -17.095  40.593  1.00 94.97           C  
+ATOM   3123  N   ASP B 592     -23.518 -17.381  39.459  1.00 94.87           N  
+ATOM   3124  CA  ASP B 592     -24.587 -17.260  38.473  1.00 94.87           C  
+ATOM   3125  C   ASP B 592     -24.066 -16.662  37.168  1.00 94.87           C  
+ATOM   3126  CB  ASP B 592     -25.731 -16.406  39.023  1.00 94.87           C  
+ATOM   3127  O   ASP B 592     -23.222 -15.764  37.185  1.00 94.87           O  
+ATOM   3128  CG  ASP B 592     -26.475 -17.075  40.165  1.00 94.87           C  
+ATOM   3129  OD1 ASP B 592     -26.646 -18.313  40.140  1.00 94.87           O  
+ATOM   3130  OD2 ASP B 592     -26.898 -16.358  41.098  1.00 94.87           O  
+ATOM   3131  N   PRO B 593     -24.597 -17.265  36.028  1.00 93.58           N  
+ATOM   3132  CA  PRO B 593     -24.215 -16.664  34.748  1.00 93.58           C  
+ATOM   3133  C   PRO B 593     -24.717 -15.230  34.597  1.00 93.58           C  
+ATOM   3134  CB  PRO B 593     -24.870 -17.584  33.716  1.00 93.58           C  
+ATOM   3135  O   PRO B 593     -25.726 -14.858  35.202  1.00 93.58           O  
+ATOM   3136  CG  PRO B 593     -25.229 -18.819  34.478  1.00 93.58           C  
+ATOM   3137  CD  PRO B 593     -25.372 -18.459  35.929  1.00 93.58           C  
+ATOM   3138  N   VAL B 594     -23.907 -14.514  33.864  1.00 94.68           N  
+ATOM   3139  CA  VAL B 594     -24.340 -13.152  33.567  1.00 94.68           C  
+ATOM   3140  C   VAL B 594     -25.577 -13.187  32.672  1.00 94.68           C  
+ATOM   3141  CB  VAL B 594     -23.216 -12.335  32.890  1.00 94.68           C  
+ATOM   3142  O   VAL B 594     -25.660 -13.998  31.747  1.00 94.68           O  
+ATOM   3143  CG1 VAL B 594     -23.721 -10.949  32.493  1.00 94.68           C  
+ATOM   3144  CG2 VAL B 594     -22.008 -12.222  33.818  1.00 94.68           C  
+ATOM   3145  N   GLY B 595     -26.648 -12.520  33.088  1.00 92.51           N  
+ATOM   3146  CA  GLY B 595     -27.825 -12.419  32.240  1.00 92.51           C  
+ATOM   3147  C   GLY B 595     -27.538 -11.782  30.894  1.00 92.51           C  
+ATOM   3148  O   GLY B 595     -26.386 -11.474  30.580  1.00 92.51           O  
+ATOM   3149  N   ARG B 596     -28.561 -11.722  30.051  1.00 93.73           N  
+ATOM   3150  CA  ARG B 596     -28.460 -11.087  28.742  1.00 93.73           C  
+ATOM   3151  C   ARG B 596     -28.120  -9.607  28.876  1.00 93.73           C  
+ATOM   3152  CB  ARG B 596     -29.764 -11.257  27.960  1.00 93.73           C  
+ATOM   3153  O   ARG B 596     -28.780  -8.878  29.619  1.00 93.73           O  
+ATOM   3154  CG  ARG B 596     -29.669 -10.832  26.503  1.00 93.73           C  
+ATOM   3155  CD  ARG B 596     -30.957 -11.123  25.745  1.00 93.73           C  
+ATOM   3156  NE  ARG B 596     -30.861 -10.720  24.345  1.00 93.73           N  
+ATOM   3157  NH1 ARG B 596     -33.036 -11.294  23.817  1.00 93.73           N  
+ATOM   3158  NH2 ARG B 596     -31.655 -10.413  22.212  1.00 93.73           N  
+ATOM   3159  CZ  ARG B 596     -31.851 -10.810  23.461  1.00 93.73           C  
+ATOM   3160  N   ILE B 597     -26.973  -9.272  28.217  1.00 93.67           N  
+ATOM   3161  CA  ILE B 597     -26.511  -7.889  28.246  1.00 93.67           C  
+ATOM   3162  C   ILE B 597     -26.940  -7.174  26.967  1.00 93.67           C  
+ATOM   3163  CB  ILE B 597     -24.977  -7.809  28.416  1.00 93.67           C  
+ATOM   3164  O   ILE B 597     -26.643  -7.634  25.862  1.00 93.67           O  
+ATOM   3165  CG1 ILE B 597     -24.555  -8.435  29.750  1.00 93.67           C  
+ATOM   3166  CG2 ILE B 597     -24.497  -6.358  28.316  1.00 93.67           C  
+ATOM   3167  CD1 ILE B 597     -24.993  -7.641  30.973  1.00 93.67           C  
+ATOM   3168  N   GLN B 598     -27.697  -6.139  27.159  1.00 91.38           N  
+ATOM   3169  CA  GLN B 598     -28.091  -5.312  26.023  1.00 91.38           C  
+ATOM   3170  C   GLN B 598     -27.543  -3.894  26.158  1.00 91.38           C  
+ATOM   3171  CB  GLN B 598     -29.615  -5.275  25.889  1.00 91.38           C  
+ATOM   3172  O   GLN B 598     -27.953  -3.146  27.047  1.00 91.38           O  
+ATOM   3173  CG  GLN B 598     -30.212  -6.549  25.310  1.00 91.38           C  
+ATOM   3174  CD  GLN B 598     -31.705  -6.438  25.062  1.00 91.38           C  
+ATOM   3175  NE2 GLN B 598     -32.284  -7.469  24.457  1.00 91.38           N  
+ATOM   3176  OE1 GLN B 598     -32.333  -5.434  25.413  1.00 91.38           O  
+ATOM   3177  N   MET B 599     -26.519  -3.646  25.314  1.00 92.78           N  
+ATOM   3178  CA  MET B 599     -25.967  -2.295  25.272  1.00 92.78           C  
+ATOM   3179  C   MET B 599     -26.489  -1.532  24.060  1.00 92.78           C  
+ATOM   3180  CB  MET B 599     -24.438  -2.339  25.244  1.00 92.78           C  
+ATOM   3181  O   MET B 599     -26.662  -2.109  22.984  1.00 92.78           O  
+ATOM   3182  CG  MET B 599     -23.818  -2.924  26.502  1.00 92.78           C  
+ATOM   3183  SD  MET B 599     -21.984  -2.897  26.460  1.00 92.78           S  
+ATOM   3184  CE  MET B 599     -21.615  -3.684  28.053  1.00 92.78           C  
+ATOM   3185  N   ARG B 600     -26.855  -0.304  24.341  1.00 92.75           N  
+ATOM   3186  CA  ARG B 600     -27.346   0.520  23.241  1.00 92.75           C  
+ATOM   3187  C   ARG B 600     -26.282   1.513  22.783  1.00 92.75           C  
+ATOM   3188  CB  ARG B 600     -28.616   1.267  23.653  1.00 92.75           C  
+ATOM   3189  O   ARG B 600     -25.404   1.891  23.561  1.00 92.75           O  
+ATOM   3190  CG  ARG B 600     -29.774   0.354  24.024  1.00 92.75           C  
+ATOM   3191  CD  ARG B 600     -31.020   1.146  24.395  1.00 92.75           C  
+ATOM   3192  NE  ARG B 600     -32.124   0.268  24.774  1.00 92.75           N  
+ATOM   3193  NH1 ARG B 600     -33.662   1.972  25.036  1.00 92.75           N  
+ATOM   3194  NH2 ARG B 600     -34.282  -0.204  25.402  1.00 92.75           N  
+ATOM   3195  CZ  ARG B 600     -33.353   0.681  25.070  1.00 92.75           C  
+ATOM   3196  N   THR B 601     -26.431   1.771  21.483  1.00 94.15           N  
+ATOM   3197  CA  THR B 601     -25.557   2.809  20.948  1.00 94.15           C  
+ATOM   3198  C   THR B 601     -25.987   4.187  21.444  1.00 94.15           C  
+ATOM   3199  CB  THR B 601     -25.549   2.794  19.408  1.00 94.15           C  
+ATOM   3200  O   THR B 601     -27.075   4.661  21.109  1.00 94.15           O  
+ATOM   3201  CG2 THR B 601     -24.541   3.795  18.854  1.00 94.15           C  
+ATOM   3202  OG1 THR B 601     -25.204   1.481  18.951  1.00 94.15           O  
+ATOM   3203  N   ARG B 602     -25.057   4.791  22.166  1.00 93.55           N  
+ATOM   3204  CA  ARG B 602     -25.383   6.104  22.714  1.00 93.55           C  
+ATOM   3205  C   ARG B 602     -24.986   7.215  21.748  1.00 93.55           C  
+ATOM   3206  CB  ARG B 602     -24.690   6.310  24.063  1.00 93.55           C  
+ATOM   3207  O   ARG B 602     -25.733   8.177  21.560  1.00 93.55           O  
+ATOM   3208  CG  ARG B 602     -25.335   5.549  25.210  1.00 93.55           C  
+ATOM   3209  CD  ARG B 602     -26.648   6.188  25.643  1.00 93.55           C  
+ATOM   3210  NE  ARG B 602     -27.190   5.550  26.839  1.00 93.55           N  
+ATOM   3211  NH1 ARG B 602     -29.083   6.869  26.937  1.00 93.55           N  
+ATOM   3212  NH2 ARG B 602     -28.733   5.240  28.511  1.00 93.55           N  
+ATOM   3213  CZ  ARG B 602     -28.334   5.888  27.426  1.00 93.55           C  
+ATOM   3214  N   ARG B 603     -23.868   6.975  21.166  1.00 94.76           N  
+ATOM   3215  CA  ARG B 603     -23.344   7.990  20.258  1.00 94.76           C  
+ATOM   3216  C   ARG B 603     -22.614   7.350  19.082  1.00 94.76           C  
+ATOM   3217  CB  ARG B 603     -22.405   8.944  21.001  1.00 94.76           C  
+ATOM   3218  O   ARG B 603     -22.087   6.242  19.201  1.00 94.76           O  
+ATOM   3219  CG  ARG B 603     -23.066   9.687  22.151  1.00 94.76           C  
+ATOM   3220  CD  ARG B 603     -22.186  10.812  22.676  1.00 94.76           C  
+ATOM   3221  NE  ARG B 603     -22.721  11.387  23.907  1.00 94.76           N  
+ATOM   3222  NH1 ARG B 603     -23.953  13.030  22.848  1.00 94.76           N  
+ATOM   3223  NH2 ARG B 603     -23.975  12.869  25.135  1.00 94.76           N  
+ATOM   3224  CZ  ARG B 603     -23.548  12.427  23.960  1.00 94.76           C  
+ATOM   3225  N   THR B 604     -22.685   8.120  17.978  1.00 96.38           N  
+ATOM   3226  CA  THR B 604     -21.895   7.774  16.802  1.00 96.38           C  
+ATOM   3227  C   THR B 604     -20.928   8.901  16.450  1.00 96.38           C  
+ATOM   3228  CB  THR B 604     -22.798   7.471  15.592  1.00 96.38           C  
+ATOM   3229  O   THR B 604     -21.348  10.037  16.221  1.00 96.38           O  
+ATOM   3230  CG2 THR B 604     -21.969   7.077  14.373  1.00 96.38           C  
+ATOM   3231  OG1 THR B 604     -23.685   6.395  15.921  1.00 96.38           O  
+ATOM   3232  N   LEU B 605     -19.626   8.521  16.509  1.00 96.87           N  
+ATOM   3233  CA  LEU B 605     -18.612   9.512  16.164  1.00 96.87           C  
+ATOM   3234  C   LEU B 605     -18.335   9.506  14.664  1.00 96.87           C  
+ATOM   3235  CB  LEU B 605     -17.317   9.244  16.935  1.00 96.87           C  
+ATOM   3236  O   LEU B 605     -17.769   8.546  14.136  1.00 96.87           O  
+ATOM   3237  CG  LEU B 605     -17.450   9.083  18.450  1.00 96.87           C  
+ATOM   3238  CD1 LEU B 605     -16.081   8.855  19.081  1.00 96.87           C  
+ATOM   3239  CD2 LEU B 605     -18.129  10.304  19.060  1.00 96.87           C  
+ATOM   3240  N   ARG B 606     -18.733  10.684  14.039  1.00 95.28           N  
+ATOM   3241  CA  ARG B 606     -18.604  10.822  12.592  1.00 95.28           C  
+ATOM   3242  C   ARG B 606     -17.495  11.806  12.233  1.00 95.28           C  
+ATOM   3243  CB  ARG B 606     -19.928  11.278  11.974  1.00 95.28           C  
+ATOM   3244  O   ARG B 606     -17.423  12.900  12.795  1.00 95.28           O  
+ATOM   3245  CG  ARG B 606     -21.070  10.293  12.170  1.00 95.28           C  
+ATOM   3246  CD  ARG B 606     -22.373  10.817  11.583  1.00 95.28           C  
+ATOM   3247  NE  ARG B 606     -23.486   9.909  11.846  1.00 95.28           N  
+ATOM   3248  NH1 ARG B 606     -23.331   8.801   9.825  1.00 95.28           N  
+ATOM   3249  NH2 ARG B 606     -24.937   8.201  11.346  1.00 95.28           N  
+ATOM   3250  CZ  ARG B 606     -23.915   8.972  11.005  1.00 95.28           C  
+ATOM   3251  N   GLY B 607     -16.639  11.366  11.369  1.00 92.36           N  
+ATOM   3252  CA  GLY B 607     -15.564  12.246  10.940  1.00 92.36           C  
+ATOM   3253  C   GLY B 607     -14.594  11.581   9.982  1.00 92.36           C  
+ATOM   3254  O   GLY B 607     -14.281  12.132   8.925  1.00 92.36           O  
+ATOM   3255  N   HIS B 608     -14.290  10.453  10.193  1.00 95.94           N  
+ATOM   3256  CA  HIS B 608     -13.390   9.745   9.290  1.00 95.94           C  
+ATOM   3257  C   HIS B 608     -14.063   9.465   7.950  1.00 95.94           C  
+ATOM   3258  CB  HIS B 608     -12.917   8.436   9.924  1.00 95.94           C  
+ATOM   3259  O   HIS B 608     -15.281   9.288   7.887  1.00 95.94           O  
+ATOM   3260  CG  HIS B 608     -11.826   8.617  10.931  1.00 95.94           C  
+ATOM   3261  CD2 HIS B 608     -11.764   8.287  12.243  1.00 95.94           C  
+ATOM   3262  ND1 HIS B 608     -10.620   9.207  10.624  1.00 95.94           N  
+ATOM   3263  CE1 HIS B 608      -9.860   9.231  11.706  1.00 95.94           C  
+ATOM   3264  NE2 HIS B 608     -10.531   8.679  12.702  1.00 95.94           N  
+ATOM   3265  N   LEU B 609     -13.223   9.400   6.832  1.00 91.25           N  
+ATOM   3266  CA  LEU B 609     -13.753   9.241   5.483  1.00 91.25           C  
+ATOM   3267  C   LEU B 609     -13.419   7.861   4.927  1.00 91.25           C  
+ATOM   3268  CB  LEU B 609     -13.196  10.326   4.556  1.00 91.25           C  
+ATOM   3269  O   LEU B 609     -13.695   7.574   3.760  1.00 91.25           O  
+ATOM   3270  CG  LEU B 609     -13.486  11.773   4.955  1.00 91.25           C  
+ATOM   3271  CD1 LEU B 609     -12.794  12.736   3.997  1.00 91.25           C  
+ATOM   3272  CD2 LEU B 609     -14.990  12.028   4.985  1.00 91.25           C  
+ATOM   3273  N   ALA B 610     -12.676   7.168   5.697  1.00 92.36           N  
+ATOM   3274  CA  ALA B 610     -12.270   5.830   5.276  1.00 92.36           C  
+ATOM   3275  C   ALA B 610     -12.230   4.870   6.462  1.00 92.36           C  
+ATOM   3276  CB  ALA B 610     -10.908   5.879   4.589  1.00 92.36           C  
+ATOM   3277  O   ALA B 610     -12.779   5.166   7.526  1.00 92.36           O  
+ATOM   3278  N   LYS B 611     -11.690   3.667   6.306  1.00 95.33           N  
+ATOM   3279  CA  LYS B 611     -11.663   2.583   7.284  1.00 95.33           C  
+ATOM   3280  C   LYS B 611     -10.898   2.994   8.538  1.00 95.33           C  
+ATOM   3281  CB  LYS B 611     -11.038   1.327   6.676  1.00 95.33           C  
+ATOM   3282  O   LYS B 611      -9.833   3.607   8.449  1.00 95.33           O  
+ATOM   3283  CG  LYS B 611     -11.803   0.768   5.486  1.00 95.33           C  
+ATOM   3284  CD  LYS B 611     -11.050  -0.381   4.826  1.00 95.33           C  
+ATOM   3285  CE  LYS B 611     -11.809  -0.932   3.626  1.00 95.33           C  
+ATOM   3286  NZ  LYS B 611     -11.025  -1.983   2.911  1.00 95.33           N  
+ATOM   3287  N   ILE B 612     -11.455   2.645   9.609  1.00 98.11           N  
+ATOM   3288  CA  ILE B 612     -10.801   2.879  10.892  1.00 98.11           C  
+ATOM   3289  C   ILE B 612     -10.049   1.622  11.325  1.00 98.11           C  
+ATOM   3290  CB  ILE B 612     -11.818   3.296  11.977  1.00 98.11           C  
+ATOM   3291  O   ILE B 612     -10.636   0.541  11.418  1.00 98.11           O  
+ATOM   3292  CG1 ILE B 612     -12.528   4.593  11.574  1.00 98.11           C  
+ATOM   3293  CG2 ILE B 612     -11.127   3.449  13.335  1.00 98.11           C  
+ATOM   3294  CD1 ILE B 612     -13.712   4.953  12.461  1.00 98.11           C  
+ATOM   3295  N   TYR B 613      -8.780   1.821  11.756  1.00 96.69           N  
+ATOM   3296  CA  TYR B 613      -7.953   0.653  12.041  1.00 96.69           C  
+ATOM   3297  C   TYR B 613      -7.679   0.530  13.535  1.00 96.69           C  
+ATOM   3298  CB  TYR B 613      -6.630   0.731  11.273  1.00 96.69           C  
+ATOM   3299  O   TYR B 613      -7.460  -0.572  14.044  1.00 96.69           O  
+ATOM   3300  CG  TYR B 613      -6.720   0.217   9.856  1.00 96.69           C  
+ATOM   3301  CD1 TYR B 613      -6.566  -1.139   9.576  1.00 96.69           C  
+ATOM   3302  CD2 TYR B 613      -6.957   1.085   8.796  1.00 96.69           C  
+ATOM   3303  CE1 TYR B 613      -6.646  -1.617   8.272  1.00 96.69           C  
+ATOM   3304  CE2 TYR B 613      -7.038   0.618   7.488  1.00 96.69           C  
+ATOM   3305  OH  TYR B 613      -6.962  -1.200   5.944  1.00 96.69           O  
+ATOM   3306  CZ  TYR B 613      -6.882  -0.732   7.237  1.00 96.69           C  
+ATOM   3307  N   ALA B 614      -7.576   1.657  14.179  1.00 97.65           N  
+ATOM   3308  CA  ALA B 614      -7.213   1.592  15.592  1.00 97.65           C  
+ATOM   3309  C   ALA B 614      -7.832   2.750  16.370  1.00 97.65           C  
+ATOM   3310  CB  ALA B 614      -5.695   1.599  15.753  1.00 97.65           C  
+ATOM   3311  O   ALA B 614      -8.111   3.809  15.803  1.00 97.65           O  
+ATOM   3312  N   MET B 615      -8.063   2.467  17.633  1.00 97.80           N  
+ATOM   3313  CA  MET B 615      -8.526   3.481  18.577  1.00 97.80           C  
+ATOM   3314  C   MET B 615      -7.969   3.221  19.972  1.00 97.80           C  
+ATOM   3315  CB  MET B 615     -10.055   3.515  18.623  1.00 97.80           C  
+ATOM   3316  O   MET B 615      -7.557   2.101  20.282  1.00 97.80           O  
+ATOM   3317  CG  MET B 615     -10.678   2.263  19.218  1.00 97.80           C  
+ATOM   3318  SD  MET B 615     -10.897   2.383  21.036  1.00 97.80           S  
+ATOM   3319  CE  MET B 615     -11.862   3.916  21.142  1.00 97.80           C  
+ATOM   3320  N   HIS B 616      -7.772   4.289  20.717  1.00 97.98           N  
+ATOM   3321  CA  HIS B 616      -7.308   4.156  22.093  1.00 97.98           C  
+ATOM   3322  C   HIS B 616      -7.891   5.251  22.979  1.00 97.98           C  
+ATOM   3323  CB  HIS B 616      -5.780   4.192  22.150  1.00 97.98           C  
+ATOM   3324  O   HIS B 616      -7.880   6.427  22.608  1.00 97.98           O  
+ATOM   3325  CG  HIS B 616      -5.218   3.762  23.467  1.00 97.98           C  
+ATOM   3326  CD2 HIS B 616      -5.490   2.684  24.240  1.00 97.98           C  
+ATOM   3327  ND1 HIS B 616      -4.251   4.482  24.135  1.00 97.98           N  
+ATOM   3328  CE1 HIS B 616      -3.952   3.864  25.265  1.00 97.98           C  
+ATOM   3329  NE2 HIS B 616      -4.690   2.770  25.353  1.00 97.98           N  
+ATOM   3330  N   TRP B 617      -8.420   4.769  24.176  1.00 97.43           N  
+ATOM   3331  CA  TRP B 617      -8.954   5.731  25.135  1.00 97.43           C  
+ATOM   3332  C   TRP B 617      -7.828   6.480  25.839  1.00 97.43           C  
+ATOM   3333  CB  TRP B 617      -9.839   5.026  26.167  1.00 97.43           C  
+ATOM   3334  O   TRP B 617      -6.762   5.914  26.095  1.00 97.43           O  
+ATOM   3335  CG  TRP B 617     -11.171   4.594  25.632  1.00 97.43           C  
+ATOM   3336  CD1 TRP B 617     -11.546   3.327  25.279  1.00 97.43           C  
+ATOM   3337  CD2 TRP B 617     -12.305   5.431  25.386  1.00 97.43           C  
+ATOM   3338  CE2 TRP B 617     -13.334   4.604  24.884  1.00 97.43           C  
+ATOM   3339  CE3 TRP B 617     -12.552   6.802  25.542  1.00 97.43           C  
+ATOM   3340  NE1 TRP B 617     -12.846   3.326  24.828  1.00 97.43           N  
+ATOM   3341  CH2 TRP B 617     -14.806   6.448  24.699  1.00 97.43           C  
+ATOM   3342  CZ2 TRP B 617     -14.592   5.104  24.536  1.00 97.43           C  
+ATOM   3343  CZ3 TRP B 617     -13.804   7.297  25.196  1.00 97.43           C  
+ATOM   3344  N   GLY B 618      -8.068   7.728  26.091  1.00 95.31           N  
+ATOM   3345  CA  GLY B 618      -7.227   8.444  27.037  1.00 95.31           C  
+ATOM   3346  C   GLY B 618      -7.502   8.070  28.482  1.00 95.31           C  
+ATOM   3347  O   GLY B 618      -8.479   7.378  28.774  1.00 95.31           O  
+ATOM   3348  N   THR B 619      -6.671   8.453  29.412  1.00 91.47           N  
+ATOM   3349  CA  THR B 619      -6.812   8.065  30.811  1.00 91.47           C  
+ATOM   3350  C   THR B 619      -7.905   8.885  31.492  1.00 91.47           C  
+ATOM   3351  CB  THR B 619      -5.486   8.238  31.575  1.00 91.47           C  
+ATOM   3352  O   THR B 619      -8.376   8.525  32.572  1.00 91.47           O  
+ATOM   3353  CG2 THR B 619      -4.450   7.216  31.116  1.00 91.47           C  
+ATOM   3354  OG1 THR B 619      -4.976   9.556  31.343  1.00 91.47           O  
+ATOM   3355  N   ASP B 620      -8.429   9.872  30.808  1.00 91.72           N  
+ATOM   3356  CA  ASP B 620      -9.431  10.764  31.385  1.00 91.72           C  
+ATOM   3357  C   ASP B 620     -10.842  10.228  31.153  1.00 91.72           C  
+ATOM   3358  CB  ASP B 620      -9.299  12.170  30.797  1.00 91.72           C  
+ATOM   3359  O   ASP B 620     -11.826  10.900  31.469  1.00 91.72           O  
+ATOM   3360  CG  ASP B 620      -9.481  12.203  29.290  1.00 91.72           C  
+ATOM   3361  OD1 ASP B 620      -9.691  11.133  28.678  1.00 91.72           O  
+ATOM   3362  OD2 ASP B 620      -9.410  13.307  28.709  1.00 91.72           O  
+ATOM   3363  N   SER B 621     -11.029   9.074  30.629  1.00 92.63           N  
+ATOM   3364  CA  SER B 621     -12.290   8.391  30.356  1.00 92.63           C  
+ATOM   3365  C   SER B 621     -13.219   9.261  29.515  1.00 92.63           C  
+ATOM   3366  CB  SER B 621     -12.984   8.003  31.662  1.00 92.63           C  
+ATOM   3367  O   SER B 621     -14.433   9.047  29.500  1.00 92.63           O  
+ATOM   3368  OG  SER B 621     -12.188   7.096  32.405  1.00 92.63           O  
+ATOM   3369  N   ARG B 622     -12.624  10.186  28.861  1.00 94.12           N  
+ATOM   3370  CA  ARG B 622     -13.416  11.118  28.064  1.00 94.12           C  
+ATOM   3371  C   ARG B 622     -12.887  11.204  26.636  1.00 94.12           C  
+ATOM   3372  CB  ARG B 622     -13.420  12.506  28.707  1.00 94.12           C  
+ATOM   3373  O   ARG B 622     -13.629  10.980  25.679  1.00 94.12           O  
+ATOM   3374  CG  ARG B 622     -14.210  13.544  27.926  1.00 94.12           C  
+ATOM   3375  CD  ARG B 622     -14.295  14.868  28.674  1.00 94.12           C  
+ATOM   3376  NE  ARG B 622     -14.943  15.900  27.870  1.00 94.12           N  
+ATOM   3377  NH1 ARG B 622     -14.869  17.520  29.515  1.00 94.12           N  
+ATOM   3378  NH2 ARG B 622     -15.795  17.996  27.473  1.00 94.12           N  
+ATOM   3379  CZ  ARG B 622     -15.201  17.136  28.288  1.00 94.12           C  
+ATOM   3380  N   LEU B 623     -11.648  11.387  26.502  1.00 96.23           N  
+ATOM   3381  CA  LEU B 623     -11.045  11.572  25.187  1.00 96.23           C  
+ATOM   3382  C   LEU B 623     -10.589  10.239  24.605  1.00 96.23           C  
+ATOM   3383  CB  LEU B 623      -9.859  12.537  25.273  1.00 96.23           C  
+ATOM   3384  O   LEU B 623     -10.217   9.327  25.347  1.00 96.23           O  
+ATOM   3385  CG  LEU B 623     -10.173  13.956  25.748  1.00 96.23           C  
+ATOM   3386  CD1 LEU B 623      -8.893  14.780  25.839  1.00 96.23           C  
+ATOM   3387  CD2 LEU B 623     -11.179  14.623  24.816  1.00 96.23           C  
+ATOM   3388  N   LEU B 624     -10.707  10.181  23.343  1.00 96.85           N  
+ATOM   3389  CA  LEU B 624     -10.169   9.015  22.652  1.00 96.85           C  
+ATOM   3390  C   LEU B 624      -9.586   9.407  21.298  1.00 96.85           C  
+ATOM   3391  CB  LEU B 624     -11.257   7.953  22.464  1.00 96.85           C  
+ATOM   3392  O   LEU B 624      -9.968  10.430  20.726  1.00 96.85           O  
+ATOM   3393  CG  LEU B 624     -12.374   8.295  21.477  1.00 96.85           C  
+ATOM   3394  CD1 LEU B 624     -11.963   7.914  20.059  1.00 96.85           C  
+ATOM   3395  CD2 LEU B 624     -13.669   7.591  21.871  1.00 96.85           C  
+ATOM   3396  N   VAL B 625      -8.599   8.628  20.876  1.00 98.15           N  
+ATOM   3397  CA  VAL B 625      -7.954   8.865  19.590  1.00 98.15           C  
+ATOM   3398  C   VAL B 625      -8.256   7.709  18.639  1.00 98.15           C  
+ATOM   3399  CB  VAL B 625      -6.426   9.042  19.745  1.00 98.15           C  
+ATOM   3400  O   VAL B 625      -8.336   6.553  19.062  1.00 98.15           O  
+ATOM   3401  CG1 VAL B 625      -5.794   7.781  20.332  1.00 98.15           C  
+ATOM   3402  CG2 VAL B 625      -5.790   9.386  18.400  1.00 98.15           C  
+ATOM   3403  N   SER B 626      -8.510   8.092  17.386  1.00 98.47           N  
+ATOM   3404  CA  SER B 626      -8.729   7.085  16.353  1.00 98.47           C  
+ATOM   3405  C   SER B 626      -7.842   7.336  15.139  1.00 98.47           C  
+ATOM   3406  CB  SER B 626     -10.198   7.066  15.926  1.00 98.47           C  
+ATOM   3407  O   SER B 626      -7.507   8.483  14.834  1.00 98.47           O  
+ATOM   3408  OG  SER B 626     -10.568   8.303  15.342  1.00 98.47           O  
+ATOM   3409  N   ALA B 627      -7.413   6.217  14.495  1.00 98.00           N  
+ATOM   3410  CA  ALA B 627      -6.577   6.270  13.298  1.00 98.00           C  
+ATOM   3411  C   ALA B 627      -7.286   5.635  12.105  1.00 98.00           C  
+ATOM   3412  CB  ALA B 627      -5.242   5.574  13.551  1.00 98.00           C  
+ATOM   3413  O   ALA B 627      -7.806   4.521  12.204  1.00 98.00           O  
+ATOM   3414  N   SER B 628      -7.204   6.320  10.945  1.00 97.00           N  
+ATOM   3415  CA  SER B 628      -7.970   5.871   9.787  1.00 97.00           C  
+ATOM   3416  C   SER B 628      -7.125   5.902   8.518  1.00 97.00           C  
+ATOM   3417  CB  SER B 628      -9.217   6.736   9.601  1.00 97.00           C  
+ATOM   3418  O   SER B 628      -6.112   6.602   8.458  1.00 97.00           O  
+ATOM   3419  OG  SER B 628      -9.859   6.436   8.373  1.00 97.00           O  
+ATOM   3420  N   GLN B 629      -7.598   5.176   7.583  1.00 93.00           N  
+ATOM   3421  CA  GLN B 629      -6.965   5.115   6.269  1.00 93.00           C  
+ATOM   3422  C   GLN B 629      -7.165   6.418   5.501  1.00 93.00           C  
+ATOM   3423  CB  GLN B 629      -7.516   3.939   5.462  1.00 93.00           C  
+ATOM   3424  O   GLN B 629      -6.605   6.598   4.417  1.00 93.00           O  
+ATOM   3425  CG  GLN B 629      -6.716   3.627   4.205  1.00 93.00           C  
+ATOM   3426  CD  GLN B 629      -7.214   2.389   3.483  1.00 93.00           C  
+ATOM   3427  NE2 GLN B 629      -6.368   1.816   2.634  1.00 93.00           N  
+ATOM   3428  OE1 GLN B 629      -8.351   1.951   3.688  1.00 93.00           O  
+ATOM   3429  N   ASP B 630      -7.912   7.169   6.049  1.00 90.58           N  
+ATOM   3430  CA  ASP B 630      -8.096   8.471   5.416  1.00 90.58           C  
+ATOM   3431  C   ASP B 630      -6.898   9.381   5.675  1.00 90.58           C  
+ATOM   3432  CB  ASP B 630      -9.379   9.136   5.919  1.00 90.58           C  
+ATOM   3433  O   ASP B 630      -6.903  10.550   5.282  1.00 90.58           O  
+ATOM   3434  CG  ASP B 630      -9.353   9.424   7.410  1.00 90.58           C  
+ATOM   3435  OD1 ASP B 630      -8.297   9.232   8.050  1.00 90.58           O  
+ATOM   3436  OD2 ASP B 630     -10.400   9.843   7.950  1.00 90.58           O  
+ATOM   3437  N   GLY B 631      -5.925   8.869   6.373  1.00 91.28           N  
+ATOM   3438  CA  GLY B 631      -4.671   9.570   6.602  1.00 91.28           C  
+ATOM   3439  C   GLY B 631      -4.743  10.566   7.744  1.00 91.28           C  
+ATOM   3440  O   GLY B 631      -3.990  11.542   7.772  1.00 91.28           O  
+ATOM   3441  N   LYS B 632      -5.715  10.321   8.670  1.00 95.12           N  
+ATOM   3442  CA  LYS B 632      -5.865  11.270   9.769  1.00 95.12           C  
+ATOM   3443  C   LYS B 632      -5.984  10.547  11.108  1.00 95.12           C  
+ATOM   3444  CB  LYS B 632      -7.086  12.163   9.545  1.00 95.12           C  
+ATOM   3445  O   LYS B 632      -6.512   9.435  11.174  1.00 95.12           O  
+ATOM   3446  CG  LYS B 632      -6.962  13.093   8.347  1.00 95.12           C  
+ATOM   3447  CD  LYS B 632      -8.164  14.023   8.235  1.00 95.12           C  
+ATOM   3448  CE  LYS B 632      -8.044  14.949   7.032  1.00 95.12           C  
+ATOM   3449  NZ  LYS B 632      -9.293  15.739   6.814  1.00 95.12           N  
+ATOM   3450  N   LEU B 633      -5.416  11.195  12.103  1.00 97.19           N  
+ATOM   3451  CA  LEU B 633      -5.787  10.927  13.488  1.00 97.19           C  
+ATOM   3452  C   LEU B 633      -6.834  11.925  13.972  1.00 97.19           C  
+ATOM   3453  CB  LEU B 633      -4.554  10.982  14.394  1.00 97.19           C  
+ATOM   3454  O   LEU B 633      -6.703  13.129  13.743  1.00 97.19           O  
+ATOM   3455  CG  LEU B 633      -3.504   9.892  14.176  1.00 97.19           C  
+ATOM   3456  CD1 LEU B 633      -2.289  10.142  15.064  1.00 97.19           C  
+ATOM   3457  CD2 LEU B 633      -4.098   8.514  14.449  1.00 97.19           C  
+ATOM   3458  N   ILE B 634      -7.886  11.347  14.573  1.00 97.41           N  
+ATOM   3459  CA  ILE B 634      -8.859  12.274  15.142  1.00 97.41           C  
+ATOM   3460  C   ILE B 634      -8.967  12.048  16.648  1.00 97.41           C  
+ATOM   3461  CB  ILE B 634     -10.244  12.118  14.475  1.00 97.41           C  
+ATOM   3462  O   ILE B 634      -9.133  10.913  17.102  1.00 97.41           O  
+ATOM   3463  CG1 ILE B 634     -10.154  12.430  12.977  1.00 97.41           C  
+ATOM   3464  CG2 ILE B 634     -11.278  13.016  15.161  1.00 97.41           C  
+ATOM   3465  CD1 ILE B 634     -11.477  12.291  12.235  1.00 97.41           C  
+ATOM   3466  N   ILE B 635      -8.866  13.126  17.380  1.00 96.88           N  
+ATOM   3467  CA  ILE B 635      -9.114  13.076  18.817  1.00 96.88           C  
+ATOM   3468  C   ILE B 635     -10.534  13.553  19.112  1.00 96.88           C  
+ATOM   3469  CB  ILE B 635      -8.089  13.930  19.597  1.00 96.88           C  
+ATOM   3470  O   ILE B 635     -10.923  14.653  18.710  1.00 96.88           O  
+ATOM   3471  CG1 ILE B 635      -6.663  13.452  19.303  1.00 96.88           C  
+ATOM   3472  CG2 ILE B 635      -8.383  13.887  21.100  1.00 96.88           C  
+ATOM   3473  CD1 ILE B 635      -5.580  14.280  19.982  1.00 96.88           C  
+ATOM   3474  N   TRP B 636     -11.215  12.641  19.873  1.00 96.74           N  
+ATOM   3475  CA  TRP B 636     -12.639  12.860  20.102  1.00 96.74           C  
+ATOM   3476  C   TRP B 636     -12.913  13.172  21.570  1.00 96.74           C  
+ATOM   3477  CB  TRP B 636     -13.448  11.634  19.669  1.00 96.74           C  
+ATOM   3478  O   TRP B 636     -12.199  12.696  22.456  1.00 96.74           O  
+ATOM   3479  CG  TRP B 636     -13.096  11.124  18.304  1.00 96.74           C  
+ATOM   3480  CD1 TRP B 636     -12.053  10.304  17.975  1.00 96.74           C  
+ATOM   3481  CD2 TRP B 636     -13.787  11.404  17.083  1.00 96.74           C  
+ATOM   3482  CE2 TRP B 636     -13.107  10.720  16.051  1.00 96.74           C  
+ATOM   3483  CE3 TRP B 636     -14.916  12.168  16.760  1.00 96.74           C  
+ATOM   3484  NE1 TRP B 636     -12.054  10.057  16.621  1.00 96.74           N  
+ATOM   3485  CH2 TRP B 636     -14.628  11.532  14.430  1.00 96.74           C  
+ATOM   3486  CZ2 TRP B 636     -13.520  10.777  14.718  1.00 96.74           C  
+ATOM   3487  CZ3 TRP B 636     -15.326  12.224  15.433  1.00 96.74           C  
+ATOM   3488  N   ASP B 637     -13.866  14.007  21.718  1.00 95.03           N  
+ATOM   3489  CA  ASP B 637     -14.582  14.028  22.990  1.00 95.03           C  
+ATOM   3490  C   ASP B 637     -15.811  13.123  22.943  1.00 95.03           C  
+ATOM   3491  CB  ASP B 637     -14.993  15.457  23.350  1.00 95.03           C  
+ATOM   3492  O   ASP B 637     -16.797  13.441  22.274  1.00 95.03           O  
+ATOM   3493  CG  ASP B 637     -15.556  15.575  24.756  1.00 95.03           C  
+ATOM   3494  OD1 ASP B 637     -16.258  14.647  25.212  1.00 95.03           O  
+ATOM   3495  OD2 ASP B 637     -15.297  16.607  25.413  1.00 95.03           O  
+ATOM   3496  N   SER B 638     -15.767  12.036  23.740  1.00 93.32           N  
+ATOM   3497  CA  SER B 638     -16.766  10.980  23.611  1.00 93.32           C  
+ATOM   3498  C   SER B 638     -18.115  11.424  24.165  1.00 93.32           C  
+ATOM   3499  CB  SER B 638     -16.302   9.712  24.330  1.00 93.32           C  
+ATOM   3500  O   SER B 638     -19.155  10.873  23.798  1.00 93.32           O  
+ATOM   3501  OG  SER B 638     -16.142   9.951  25.717  1.00 93.32           O  
+ATOM   3502  N   TYR B 639     -18.216  12.419  24.998  1.00 91.16           N  
+ATOM   3503  CA  TYR B 639     -19.461  12.885  25.597  1.00 91.16           C  
+ATOM   3504  C   TYR B 639     -20.191  13.844  24.663  1.00 91.16           C  
+ATOM   3505  CB  TYR B 639     -19.189  13.571  26.939  1.00 91.16           C  
+ATOM   3506  O   TYR B 639     -21.397  13.710  24.445  1.00 91.16           O  
+ATOM   3507  CG  TYR B 639     -18.910  12.608  28.068  1.00 91.16           C  
+ATOM   3508  CD1 TYR B 639     -19.945  12.104  28.851  1.00 91.16           C  
+ATOM   3509  CD2 TYR B 639     -17.611  12.200  28.353  1.00 91.16           C  
+ATOM   3510  CE1 TYR B 639     -19.693  11.217  29.893  1.00 91.16           C  
+ATOM   3511  CE2 TYR B 639     -17.347  11.314  29.392  1.00 91.16           C  
+ATOM   3512  OH  TYR B 639     -18.137   9.951  31.185  1.00 91.16           O  
+ATOM   3513  CZ  TYR B 639     -18.393  10.829  30.155  1.00 91.16           C  
+ATOM   3514  N   THR B 640     -19.360  14.728  24.063  1.00 91.51           N  
+ATOM   3515  CA  THR B 640     -19.972  15.772  23.249  1.00 91.51           C  
+ATOM   3516  C   THR B 640     -19.950  15.389  21.772  1.00 91.51           C  
+ATOM   3517  CB  THR B 640     -19.258  17.123  23.443  1.00 91.51           C  
+ATOM   3518  O   THR B 640     -20.621  16.019  20.952  1.00 91.51           O  
+ATOM   3519  CG2 THR B 640     -19.261  17.541  24.909  1.00 91.51           C  
+ATOM   3520  OG1 THR B 640     -17.902  17.008  22.993  1.00 91.51           O  
+ATOM   3521  N   THR B 641     -19.101  14.466  21.406  1.00 92.92           N  
+ATOM   3522  CA  THR B 641     -18.875  13.992  20.046  1.00 92.92           C  
+ATOM   3523  C   THR B 641     -18.091  15.021  19.237  1.00 92.92           C  
+ATOM   3524  CB  THR B 641     -20.205  13.681  19.334  1.00 92.92           C  
+ATOM   3525  O   THR B 641     -18.020  14.931  18.010  1.00 92.92           O  
+ATOM   3526  CG2 THR B 641     -21.030  12.672  20.127  1.00 92.92           C  
+ATOM   3527  OG1 THR B 641     -20.958  14.891  19.192  1.00 92.92           O  
+ATOM   3528  N   ASN B 642     -17.585  15.963  19.965  1.00 92.34           N  
+ATOM   3529  CA  ASN B 642     -16.775  16.981  19.304  1.00 92.34           C  
+ATOM   3530  C   ASN B 642     -15.407  16.437  18.903  1.00 92.34           C  
+ATOM   3531  CB  ASN B 642     -16.615  18.208  20.205  1.00 92.34           C  
+ATOM   3532  O   ASN B 642     -14.837  15.600  19.606  1.00 92.34           O  
+ATOM   3533  CG  ASN B 642     -17.897  19.006  20.337  1.00 92.34           C  
+ATOM   3534  ND2 ASN B 642     -17.952  19.879  21.336  1.00 92.34           N  
+ATOM   3535  OD1 ASN B 642     -18.831  18.839  19.548  1.00 92.34           O  
+ATOM   3536  N   LYS B 643     -14.944  16.939  17.738  1.00 93.99           N  
+ATOM   3537  CA  LYS B 643     -13.566  16.678  17.331  1.00 93.99           C  
+ATOM   3538  C   LYS B 643     -12.611  17.703  17.936  1.00 93.99           C  
+ATOM   3539  CB  LYS B 643     -13.445  16.685  15.806  1.00 93.99           C  
+ATOM   3540  O   LYS B 643     -12.735  18.902  17.679  1.00 93.99           O  
+ATOM   3541  CG  LYS B 643     -14.333  15.664  15.110  1.00 93.99           C  
+ATOM   3542  CD  LYS B 643     -14.435  15.939  13.616  1.00 93.99           C  
+ATOM   3543  CE  LYS B 643     -15.608  15.197  12.989  1.00 93.99           C  
+ATOM   3544  NZ  LYS B 643     -16.892  15.496  13.691  1.00 93.99           N  
+ATOM   3545  N   VAL B 644     -11.706  17.091  18.791  1.00 92.68           N  
+ATOM   3546  CA  VAL B 644     -10.782  17.987  19.478  1.00 92.68           C  
+ATOM   3547  C   VAL B 644      -9.616  18.334  18.555  1.00 92.68           C  
+ATOM   3548  CB  VAL B 644     -10.255  17.363  20.790  1.00 92.68           C  
+ATOM   3549  O   VAL B 644      -9.224  19.498  18.450  1.00 92.68           O  
+ATOM   3550  CG1 VAL B 644      -9.257  18.298  21.470  1.00 92.68           C  
+ATOM   3551  CG2 VAL B 644     -11.415  17.039  21.729  1.00 92.68           C  
+ATOM   3552  N   HIS B 645      -9.079  17.325  17.885  1.00 92.56           N  
+ATOM   3553  CA  HIS B 645      -8.010  17.467  16.902  1.00 92.56           C  
+ATOM   3554  C   HIS B 645      -8.249  16.569  15.694  1.00 92.56           C  
+ATOM   3555  CB  HIS B 645      -6.655  17.146  17.535  1.00 92.56           C  
+ATOM   3556  O   HIS B 645      -8.826  15.486  15.824  1.00 92.56           O  
+ATOM   3557  CG  HIS B 645      -6.257  18.098  18.617  1.00 92.56           C  
+ATOM   3558  CD2 HIS B 645      -6.236  17.956  19.963  1.00 92.56           C  
+ATOM   3559  ND1 HIS B 645      -5.817  19.378  18.357  1.00 92.56           N  
+ATOM   3560  CE1 HIS B 645      -5.541  19.983  19.501  1.00 92.56           C  
+ATOM   3561  NE2 HIS B 645      -5.787  19.142  20.490  1.00 92.56           N  
+ATOM   3562  N   ALA B 646      -7.815  17.132  14.561  1.00 93.64           N  
+ATOM   3563  CA  ALA B 646      -7.665  16.326  13.352  1.00 93.64           C  
+ATOM   3564  C   ALA B 646      -6.257  16.457  12.777  1.00 93.64           C  
+ATOM   3565  CB  ALA B 646      -8.702  16.734  12.309  1.00 93.64           C  
+ATOM   3566  O   ALA B 646      -5.924  17.471  12.160  1.00 93.64           O  
+ATOM   3567  N   ILE B 647      -5.528  15.362  13.011  1.00 94.46           N  
+ATOM   3568  CA  ILE B 647      -4.101  15.413  12.712  1.00 94.46           C  
+ATOM   3569  C   ILE B 647      -3.818  14.650  11.420  1.00 94.46           C  
+ATOM   3570  CB  ILE B 647      -3.259  14.835  13.871  1.00 94.46           C  
+ATOM   3571  O   ILE B 647      -4.042  13.440  11.344  1.00 94.46           O  
+ATOM   3572  CG1 ILE B 647      -3.595  15.552  15.184  1.00 94.46           C  
+ATOM   3573  CG2 ILE B 647      -1.764  14.939  13.557  1.00 94.46           C  
+ATOM   3574  CD1 ILE B 647      -3.048  14.860  16.425  1.00 94.46           C  
+ATOM   3575  N   PRO B 648      -3.318  15.411  10.393  1.00 91.79           N  
+ATOM   3576  CA  PRO B 648      -2.938  14.719   9.159  1.00 91.79           C  
+ATOM   3577  C   PRO B 648      -1.681  13.867   9.324  1.00 91.79           C  
+ATOM   3578  CB  PRO B 648      -2.695  15.865   8.173  1.00 91.79           C  
+ATOM   3579  O   PRO B 648      -0.719  14.298   9.965  1.00 91.79           O  
+ATOM   3580  CG  PRO B 648      -2.369  17.045   9.031  1.00 91.79           C  
+ATOM   3581  CD  PRO B 648      -3.049  16.872  10.358  1.00 91.79           C  
+ATOM   3582  N   LEU B 649      -1.828  12.705   8.718  1.00 90.68           N  
+ATOM   3583  CA  LEU B 649      -0.707  11.778   8.829  1.00 90.68           C  
+ATOM   3584  C   LEU B 649       0.157  11.816   7.573  1.00 90.68           C  
+ATOM   3585  CB  LEU B 649      -1.211  10.354   9.073  1.00 90.68           C  
+ATOM   3586  O   LEU B 649      -0.321  12.182   6.496  1.00 90.68           O  
+ATOM   3587  CG  LEU B 649      -2.106  10.152  10.297  1.00 90.68           C  
+ATOM   3588  CD1 LEU B 649      -2.645   8.726  10.330  1.00 90.68           C  
+ATOM   3589  CD2 LEU B 649      -1.340  10.469  11.577  1.00 90.68           C  
+ATOM   3590  N   ARG B 650       1.323  11.439   7.646  1.00 81.55           N  
+ATOM   3591  CA  ARG B 650       2.252  11.342   6.524  1.00 81.55           C  
+ATOM   3592  C   ARG B 650       1.872  10.192   5.598  1.00 81.55           C  
+ATOM   3593  CB  ARG B 650       3.685  11.158   7.028  1.00 81.55           C  
+ATOM   3594  O   ARG B 650       1.998  10.304   4.376  1.00 81.55           O  
+ATOM   3595  CG  ARG B 650       4.736  11.225   5.932  1.00 81.55           C  
+ATOM   3596  CD  ARG B 650       6.139  11.006   6.481  1.00 81.55           C  
+ATOM   3597  NE  ARG B 650       7.152  11.122   5.436  1.00 81.55           N  
+ATOM   3598  NH1 ARG B 650       8.949  10.814   6.855  1.00 81.55           N  
+ATOM   3599  NH2 ARG B 650       9.296  11.150   4.614  1.00 81.55           N  
+ATOM   3600  CZ  ARG B 650       8.463  11.028   5.637  1.00 81.55           C  
+ATOM   3601  N   SER B 651       1.519   9.156   6.287  1.00 84.64           N  
+ATOM   3602  CA  SER B 651       1.087   7.967   5.560  1.00 84.64           C  
+ATOM   3603  C   SER B 651      -0.347   7.590   5.917  1.00 84.64           C  
+ATOM   3604  CB  SER B 651       2.020   6.791   5.852  1.00 84.64           C  
+ATOM   3605  O   SER B 651      -0.736   7.647   7.086  1.00 84.64           O  
+ATOM   3606  OG  SER B 651       1.529   5.600   5.259  1.00 84.64           O  
+ATOM   3607  N   SER B 652      -1.111   7.275   4.903  1.00 85.64           N  
+ATOM   3608  CA  SER B 652      -2.504   6.889   5.108  1.00 85.64           C  
+ATOM   3609  C   SER B 652      -2.615   5.430   5.537  1.00 85.64           C  
+ATOM   3610  CB  SER B 652      -3.317   7.118   3.834  1.00 85.64           C  
+ATOM   3611  O   SER B 652      -3.684   4.982   5.958  1.00 85.64           O  
+ATOM   3612  OG  SER B 652      -2.771   6.386   2.750  1.00 85.64           O  
+ATOM   3613  N   TRP B 653      -1.477   4.763   5.461  1.00 85.82           N  
+ATOM   3614  CA  TRP B 653      -1.479   3.348   5.818  1.00 85.82           C  
+ATOM   3615  C   TRP B 653      -1.184   3.161   7.303  1.00 85.82           C  
+ATOM   3616  CB  TRP B 653      -0.452   2.581   4.981  1.00 85.82           C  
+ATOM   3617  O   TRP B 653      -0.108   2.686   7.674  1.00 85.82           O  
+ATOM   3618  CG  TRP B 653      -0.643   2.725   3.501  1.00 85.82           C  
+ATOM   3619  CD1 TRP B 653       0.070   3.525   2.652  1.00 85.82           C  
+ATOM   3620  CD2 TRP B 653      -1.617   2.054   2.696  1.00 85.82           C  
+ATOM   3621  CE2 TRP B 653      -1.436   2.494   1.366  1.00 85.82           C  
+ATOM   3622  CE3 TRP B 653      -2.626   1.121   2.970  1.00 85.82           C  
+ATOM   3623  NE1 TRP B 653      -0.401   3.390   1.366  1.00 85.82           N  
+ATOM   3624  CH2 TRP B 653      -3.207   1.120   0.607  1.00 85.82           C  
+ATOM   3625  CZ2 TRP B 653      -2.227   2.032   0.312  1.00 85.82           C  
+ATOM   3626  CZ3 TRP B 653      -3.413   0.662   1.919  1.00 85.82           C  
+ATOM   3627  N   VAL B 654      -2.100   3.511   8.158  1.00 93.85           N  
+ATOM   3628  CA  VAL B 654      -1.965   3.478   9.610  1.00 93.85           C  
+ATOM   3629  C   VAL B 654      -2.565   2.184  10.156  1.00 93.85           C  
+ATOM   3630  CB  VAL B 654      -2.642   4.700  10.271  1.00 93.85           C  
+ATOM   3631  O   VAL B 654      -3.580   1.701   9.648  1.00 93.85           O  
+ATOM   3632  CG1 VAL B 654      -4.144   4.700   9.995  1.00 93.85           C  
+ATOM   3633  CG2 VAL B 654      -2.371   4.710  11.775  1.00 93.85           C  
+ATOM   3634  N   MET B 655      -1.923   1.646  11.183  1.00 95.37           N  
+ATOM   3635  CA  MET B 655      -2.410   0.378  11.719  1.00 95.37           C  
+ATOM   3636  C   MET B 655      -2.661   0.482  13.220  1.00 95.37           C  
+ATOM   3637  CB  MET B 655      -1.412  -0.746  11.433  1.00 95.37           C  
+ATOM   3638  O   MET B 655      -3.419  -0.309  13.783  1.00 95.37           O  
+ATOM   3639  CG  MET B 655      -1.333  -1.136   9.966  1.00 95.37           C  
+ATOM   3640  SD  MET B 655      -0.440  -2.718   9.707  1.00 95.37           S  
+ATOM   3641  CE  MET B 655      -1.705  -3.894  10.265  1.00 95.37           C  
+ATOM   3642  N   THR B 656      -2.066   1.437  13.874  1.00 97.75           N  
+ATOM   3643  CA  THR B 656      -2.172   1.548  15.325  1.00 97.75           C  
+ATOM   3644  C   THR B 656      -2.107   3.008  15.762  1.00 97.75           C  
+ATOM   3645  CB  THR B 656      -1.060   0.749  16.029  1.00 97.75           C  
+ATOM   3646  O   THR B 656      -1.554   3.850  15.052  1.00 97.75           O  
+ATOM   3647  CG2 THR B 656       0.310   1.366  15.768  1.00 97.75           C  
+ATOM   3648  OG1 THR B 656      -1.306   0.739  17.440  1.00 97.75           O  
+ATOM   3649  N   CYS B 657      -2.677   3.257  16.893  1.00 98.08           N  
+ATOM   3650  CA  CYS B 657      -2.550   4.541  17.572  1.00 98.08           C  
+ATOM   3651  C   CYS B 657      -2.595   4.365  19.085  1.00 98.08           C  
+ATOM   3652  CB  CYS B 657      -3.658   5.495  17.127  1.00 98.08           C  
+ATOM   3653  O   CYS B 657      -3.086   3.350  19.582  1.00 98.08           O  
+ATOM   3654  SG  CYS B 657      -5.315   4.961  17.608  1.00 98.08           S  
+ATOM   3655  N   ALA B 658      -1.992   5.360  19.793  1.00 98.11           N  
+ATOM   3656  CA  ALA B 658      -1.980   5.269  21.250  1.00 98.11           C  
+ATOM   3657  C   ALA B 658      -1.959   6.656  21.886  1.00 98.11           C  
+ATOM   3658  CB  ALA B 658      -0.779   4.452  21.723  1.00 98.11           C  
+ATOM   3659  O   ALA B 658      -1.325   7.576  21.364  1.00 98.11           O  
+ATOM   3660  N   TYR B 659      -2.713   6.690  22.974  1.00 96.79           N  
+ATOM   3661  CA  TYR B 659      -2.756   7.890  23.803  1.00 96.79           C  
+ATOM   3662  C   TYR B 659      -1.811   7.765  24.991  1.00 96.79           C  
+ATOM   3663  CB  TYR B 659      -4.183   8.151  24.296  1.00 96.79           C  
+ATOM   3664  O   TYR B 659      -1.847   6.771  25.720  1.00 96.79           O  
+ATOM   3665  CG  TYR B 659      -4.603   9.598  24.198  1.00 96.79           C  
+ATOM   3666  CD1 TYR B 659      -4.023  10.568  25.013  1.00 96.79           C  
+ATOM   3667  CD2 TYR B 659      -5.580   9.997  23.293  1.00 96.79           C  
+ATOM   3668  CE1 TYR B 659      -4.408  11.902  24.928  1.00 96.79           C  
+ATOM   3669  CE2 TYR B 659      -5.973  11.328  23.200  1.00 96.79           C  
+ATOM   3670  OH  TYR B 659      -5.767  13.591  23.932  1.00 96.79           O  
+ATOM   3671  CZ  TYR B 659      -5.382  12.272  24.020  1.00 96.79           C  
+ATOM   3672  N   ALA B 660      -0.976   8.812  25.158  1.00 96.73           N  
+ATOM   3673  CA  ALA B 660      -0.078   8.787  26.310  1.00 96.73           C  
+ATOM   3674  C   ALA B 660      -0.847   9.011  27.609  1.00 96.73           C  
+ATOM   3675  CB  ALA B 660       1.016   9.840  26.154  1.00 96.73           C  
+ATOM   3676  O   ALA B 660      -1.825   9.761  27.637  1.00 96.73           O  
+ATOM   3677  N   PRO B 661      -0.404   8.401  28.703  1.00 94.71           N  
+ATOM   3678  CA  PRO B 661      -1.095   8.537  29.987  1.00 94.71           C  
+ATOM   3679  C   PRO B 661      -1.192   9.988  30.454  1.00 94.71           C  
+ATOM   3680  CB  PRO B 661      -0.229   7.713  30.943  1.00 94.71           C  
+ATOM   3681  O   PRO B 661      -2.165  10.365  31.111  1.00 94.71           O  
+ATOM   3682  CG  PRO B 661       0.436   6.694  30.074  1.00 94.71           C  
+ATOM   3683  CD  PRO B 661       0.687   7.308  28.726  1.00 94.71           C  
+ATOM   3684  N   SER B 662      -0.247  10.791  30.070  1.00 94.18           N  
+ATOM   3685  CA  SER B 662      -0.237  12.196  30.464  1.00 94.18           C  
+ATOM   3686  C   SER B 662      -1.334  12.978  29.749  1.00 94.18           C  
+ATOM   3687  CB  SER B 662       1.125  12.826  30.170  1.00 94.18           C  
+ATOM   3688  O   SER B 662      -1.746  14.044  30.212  1.00 94.18           O  
+ATOM   3689  OG  SER B 662       1.373  12.861  28.775  1.00 94.18           O  
+ATOM   3690  N   GLY B 663      -1.693  12.483  28.572  1.00 92.41           N  
+ATOM   3691  CA  GLY B 663      -2.651  13.174  27.724  1.00 92.41           C  
+ATOM   3692  C   GLY B 663      -2.006  14.192  26.802  1.00 92.41           C  
+ATOM   3693  O   GLY B 663      -2.694  14.853  26.021  1.00 92.41           O  
+ATOM   3694  N   ASN B 664      -0.735  14.196  26.779  1.00 92.49           N  
+ATOM   3695  CA  ASN B 664      -0.015  15.232  26.045  1.00 92.49           C  
+ATOM   3696  C   ASN B 664       0.445  14.733  24.678  1.00 92.49           C  
+ATOM   3697  CB  ASN B 664       1.180  15.734  26.858  1.00 92.49           C  
+ATOM   3698  O   ASN B 664       0.739  15.533  23.788  1.00 92.49           O  
+ATOM   3699  CG  ASN B 664       0.763  16.487  28.106  1.00 92.49           C  
+ATOM   3700  ND2 ASN B 664       1.633  16.501  29.108  1.00 92.49           N  
+ATOM   3701  OD1 ASN B 664      -0.333  17.050  28.168  1.00 92.49           O  
+ATOM   3702  N   TYR B 665       0.540  13.442  24.538  1.00 96.16           N  
+ATOM   3703  CA  TYR B 665       1.067  12.877  23.300  1.00 96.16           C  
+ATOM   3704  C   TYR B 665       0.120  11.825  22.735  1.00 96.16           C  
+ATOM   3705  CB  TYR B 665       2.450  12.262  23.536  1.00 96.16           C  
+ATOM   3706  O   TYR B 665      -0.614  11.175  23.483  1.00 96.16           O  
+ATOM   3707  CG  TYR B 665       3.485  13.256  24.004  1.00 96.16           C  
+ATOM   3708  CD1 TYR B 665       4.113  14.113  23.103  1.00 96.16           C  
+ATOM   3709  CD2 TYR B 665       3.837  13.340  25.347  1.00 96.16           C  
+ATOM   3710  CE1 TYR B 665       5.069  15.029  23.530  1.00 96.16           C  
+ATOM   3711  CE2 TYR B 665       4.791  14.252  25.784  1.00 96.16           C  
+ATOM   3712  OH  TYR B 665       6.346  15.997  25.298  1.00 96.16           O  
+ATOM   3713  CZ  TYR B 665       5.400  15.092  24.870  1.00 96.16           C  
+ATOM   3714  N   VAL B 666       0.183  11.767  21.417  1.00 97.64           N  
+ATOM   3715  CA  VAL B 666      -0.401  10.619  20.731  1.00 97.64           C  
+ATOM   3716  C   VAL B 666       0.605  10.046  19.735  1.00 97.64           C  
+ATOM   3717  CB  VAL B 666      -1.712  10.997  20.006  1.00 97.64           C  
+ATOM   3718  O   VAL B 666       1.491  10.759  19.258  1.00 97.64           O  
+ATOM   3719  CG1 VAL B 666      -2.794  11.382  21.013  1.00 97.64           C  
+ATOM   3720  CG2 VAL B 666      -1.466  12.137  19.020  1.00 97.64           C  
+ATOM   3721  N   ALA B 667       0.467   8.734  19.554  1.00 98.05           N  
+ATOM   3722  CA  ALA B 667       1.373   8.061  18.627  1.00 98.05           C  
+ATOM   3723  C   ALA B 667       0.596   7.257  17.588  1.00 98.05           C  
+ATOM   3724  CB  ALA B 667       2.335   7.152  19.388  1.00 98.05           C  
+ATOM   3725  O   ALA B 667      -0.543   6.852  17.832  1.00 98.05           O  
+ATOM   3726  N   CYS B 668       1.241   7.152  16.420  1.00 97.75           N  
+ATOM   3727  CA  CYS B 668       0.687   6.286  15.385  1.00 97.75           C  
+ATOM   3728  C   CYS B 668       1.795   5.566  14.625  1.00 97.75           C  
+ATOM   3729  CB  CYS B 668      -0.169   7.095  14.412  1.00 97.75           C  
+ATOM   3730  O   CYS B 668       2.952   5.986  14.662  1.00 97.75           O  
+ATOM   3731  SG  CYS B 668       0.782   8.220  13.367  1.00 97.75           S  
+ATOM   3732  N   GLY B 669       1.402   4.440  14.086  1.00 96.48           N  
+ATOM   3733  CA  GLY B 669       2.298   3.630  13.276  1.00 96.48           C  
+ATOM   3734  C   GLY B 669       1.569   2.751  12.278  1.00 96.48           C  
+ATOM   3735  O   GLY B 669       0.363   2.527  12.404  1.00 96.48           O  
+ATOM   3736  N   GLY B 670       2.326   2.391  11.200  1.00 94.21           N  
+ATOM   3737  CA  GLY B 670       1.684   1.568  10.188  1.00 94.21           C  
+ATOM   3738  C   GLY B 670       2.664   0.960   9.203  1.00 94.21           C  
+ATOM   3739  O   GLY B 670       3.691   0.407   9.603  1.00 94.21           O  
+ATOM   3740  N   LEU B 671       2.406   1.031   7.902  1.00 89.04           N  
+ATOM   3741  CA  LEU B 671       3.142   0.318   6.864  1.00 89.04           C  
+ATOM   3742  C   LEU B 671       4.416   1.067   6.488  1.00 89.04           C  
+ATOM   3743  CB  LEU B 671       2.266   0.122   5.624  1.00 89.04           C  
+ATOM   3744  O   LEU B 671       5.257   0.542   5.755  1.00 89.04           O  
+ATOM   3745  CG  LEU B 671       1.121  -0.883   5.755  1.00 89.04           C  
+ATOM   3746  CD1 LEU B 671       0.267  -0.881   4.491  1.00 89.04           C  
+ATOM   3747  CD2 LEU B 671       1.665  -2.280   6.036  1.00 89.04           C  
+ATOM   3748  N   ASP B 672       4.577   2.196   7.053  1.00 88.57           N  
+ATOM   3749  CA  ASP B 672       5.770   2.981   6.750  1.00 88.57           C  
+ATOM   3750  C   ASP B 672       6.914   2.631   7.698  1.00 88.57           C  
+ATOM   3751  CB  ASP B 672       5.461   4.478   6.828  1.00 88.57           C  
+ATOM   3752  O   ASP B 672       7.955   3.291   7.693  1.00 88.57           O  
+ATOM   3753  CG  ASP B 672       4.907   4.899   8.178  1.00 88.57           C  
+ATOM   3754  OD1 ASP B 672       4.710   4.031   9.055  1.00 88.57           O  
+ATOM   3755  OD2 ASP B 672       4.664   6.111   8.366  1.00 88.57           O  
+ATOM   3756  N   ASN B 673       6.659   1.715   8.577  1.00 92.89           N  
+ATOM   3757  CA  ASN B 673       7.638   1.139   9.492  1.00 92.89           C  
+ATOM   3758  C   ASN B 673       8.116   2.162  10.519  1.00 92.89           C  
+ATOM   3759  CB  ASN B 673       8.828   0.569   8.717  1.00 92.89           C  
+ATOM   3760  O   ASN B 673       9.124   1.947  11.194  1.00 92.89           O  
+ATOM   3761  CG  ASN B 673       8.414  -0.461   7.686  1.00 92.89           C  
+ATOM   3762  ND2 ASN B 673       9.297  -0.735   6.733  1.00 92.89           N  
+ATOM   3763  OD1 ASN B 673       7.308  -1.007   7.744  1.00 92.89           O  
+ATOM   3764  N   ILE B 674       7.456   3.267  10.592  1.00 94.60           N  
+ATOM   3765  CA  ILE B 674       7.863   4.330  11.505  1.00 94.60           C  
+ATOM   3766  C   ILE B 674       6.759   4.581  12.529  1.00 94.60           C  
+ATOM   3767  CB  ILE B 674       8.195   5.633  10.743  1.00 94.60           C  
+ATOM   3768  O   ILE B 674       5.577   4.626  12.179  1.00 94.60           O  
+ATOM   3769  CG1 ILE B 674       9.336   5.394   9.748  1.00 94.60           C  
+ATOM   3770  CG2 ILE B 674       8.548   6.756  11.723  1.00 94.60           C  
+ATOM   3771  CD1 ILE B 674       9.595   6.566   8.811  1.00 94.60           C  
+ATOM   3772  N   CYS B 675       7.188   4.722  13.812  1.00 97.20           N  
+ATOM   3773  CA  CYS B 675       6.277   5.207  14.843  1.00 97.20           C  
+ATOM   3774  C   CYS B 675       6.408   6.715  15.021  1.00 97.20           C  
+ATOM   3775  CB  CYS B 675       6.547   4.501  16.171  1.00 97.20           C  
+ATOM   3776  O   CYS B 675       7.472   7.209  15.400  1.00 97.20           O  
+ATOM   3777  SG  CYS B 675       5.437   5.008  17.503  1.00 97.20           S  
+ATOM   3778  N   SER B 676       5.325   7.424  14.740  1.00 97.15           N  
+ATOM   3779  CA  SER B 676       5.309   8.880  14.836  1.00 97.15           C  
+ATOM   3780  C   SER B 676       4.621   9.342  16.116  1.00 97.15           C  
+ATOM   3781  CB  SER B 676       4.608   9.490  13.622  1.00 97.15           C  
+ATOM   3782  O   SER B 676       3.532   8.868  16.448  1.00 97.15           O  
+ATOM   3783  OG  SER B 676       5.268   9.123  12.423  1.00 97.15           O  
+ATOM   3784  N   ILE B 677       5.269  10.312  16.814  1.00 97.18           N  
+ATOM   3785  CA  ILE B 677       4.747  10.861  18.060  1.00 97.18           C  
+ATOM   3786  C   ILE B 677       4.331  12.315  17.850  1.00 97.18           C  
+ATOM   3787  CB  ILE B 677       5.783  10.760  19.201  1.00 97.18           C  
+ATOM   3788  O   ILE B 677       5.089  13.108  17.286  1.00 97.18           O  
+ATOM   3789  CG1 ILE B 677       6.313   9.326  19.316  1.00 97.18           C  
+ATOM   3790  CG2 ILE B 677       5.175  11.226  20.527  1.00 97.18           C  
+ATOM   3791  CD1 ILE B 677       5.270   8.315  19.773  1.00 97.18           C  
+ATOM   3792  N   TYR B 678       3.140  12.598  18.308  1.00 95.82           N  
+ATOM   3793  CA  TYR B 678       2.597  13.943  18.155  1.00 95.82           C  
+ATOM   3794  C   TYR B 678       2.374  14.599  19.512  1.00 95.82           C  
+ATOM   3795  CB  TYR B 678       1.283  13.906  17.370  1.00 95.82           C  
+ATOM   3796  O   TYR B 678       1.849  13.970  20.434  1.00 95.82           O  
+ATOM   3797  CG  TYR B 678       1.414  13.301  15.994  1.00 95.82           C  
+ATOM   3798  CD1 TYR B 678       1.592  14.106  14.871  1.00 95.82           C  
+ATOM   3799  CD2 TYR B 678       1.358  11.923  15.813  1.00 95.82           C  
+ATOM   3800  CE1 TYR B 678       1.712  13.553  13.601  1.00 95.82           C  
+ATOM   3801  CE2 TYR B 678       1.476  11.359  14.547  1.00 95.82           C  
+ATOM   3802  OH  TYR B 678       1.770  11.627  12.193  1.00 95.82           O  
+ATOM   3803  CZ  TYR B 678       1.653  12.180  13.449  1.00 95.82           C  
+ATOM   3804  N   ASN B 679       2.735  15.848  19.534  1.00 93.24           N  
+ATOM   3805  CA  ASN B 679       2.520  16.649  20.735  1.00 93.24           C  
+ATOM   3806  C   ASN B 679       1.224  17.450  20.650  1.00 93.24           C  
+ATOM   3807  CB  ASN B 679       3.707  17.583  20.977  1.00 93.24           C  
+ATOM   3808  O   ASN B 679       1.058  18.277  19.752  1.00 93.24           O  
+ATOM   3809  CG  ASN B 679       3.628  18.294  22.313  1.00 93.24           C  
+ATOM   3810  ND2 ASN B 679       4.771  18.752  22.810  1.00 93.24           N  
+ATOM   3811  OD1 ASN B 679       2.548  18.430  22.895  1.00 93.24           O  
+ATOM   3812  N   LEU B 680       0.394  17.208  21.668  1.00 91.13           N  
+ATOM   3813  CA  LEU B 680      -0.927  17.824  21.613  1.00 91.13           C  
+ATOM   3814  C   LEU B 680      -0.912  19.203  22.263  1.00 91.13           C  
+ATOM   3815  CB  LEU B 680      -1.963  16.933  22.304  1.00 91.13           C  
+ATOM   3816  O   LEU B 680      -1.865  19.972  22.119  1.00 91.13           O  
+ATOM   3817  CG  LEU B 680      -2.196  15.555  21.681  1.00 91.13           C  
+ATOM   3818  CD1 LEU B 680      -3.185  14.754  22.522  1.00 91.13           C  
+ATOM   3819  CD2 LEU B 680      -2.694  15.694  20.247  1.00 91.13           C  
+ATOM   3820  N   LYS B 681       0.136  19.605  22.914  1.00 82.82           N  
+ATOM   3821  CA  LYS B 681       0.237  20.906  23.568  1.00 82.82           C  
+ATOM   3822  C   LYS B 681       0.811  21.955  22.620  1.00 82.82           C  
+ATOM   3823  CB  LYS B 681       1.100  20.809  24.827  1.00 82.82           C  
+ATOM   3824  O   LYS B 681       1.994  21.907  22.277  1.00 82.82           O  
+ATOM   3825  CG  LYS B 681       0.426  20.087  25.985  1.00 82.82           C  
+ATOM   3826  CD  LYS B 681       1.189  20.287  27.288  1.00 82.82           C  
+ATOM   3827  CE  LYS B 681       0.477  19.626  28.461  1.00 82.82           C  
+ATOM   3828  NZ  LYS B 681       1.208  19.842  29.745  1.00 82.82           N  
+ATOM   3829  N   THR B 682       0.088  22.400  21.637  1.00 66.53           N  
+ATOM   3830  CA  THR B 682       0.670  23.436  20.791  1.00 66.53           C  
+ATOM   3831  C   THR B 682      -0.128  24.732  20.896  1.00 66.53           C  
+ATOM   3832  CB  THR B 682       0.732  22.986  19.319  1.00 66.53           C  
+ATOM   3833  O   THR B 682      -1.347  24.704  21.081  1.00 66.53           O  
+ATOM   3834  CG2 THR B 682       1.297  21.575  19.199  1.00 66.53           C  
+ATOM   3835  OG1 THR B 682      -0.589  23.009  18.763  1.00 66.53           O  
+ATOM   3836  N   ARG B 683       0.572  25.917  21.043  1.00 55.32           N  
+ATOM   3837  CA  ARG B 683       0.041  27.272  21.148  1.00 55.32           C  
+ATOM   3838  C   ARG B 683      -0.535  27.740  19.816  1.00 55.32           C  
+ATOM   3839  CB  ARG B 683       1.129  28.241  21.617  1.00 55.32           C  
+ATOM   3840  O   ARG B 683      -1.526  28.472  19.785  1.00 55.32           O  
+ATOM   3841  CG  ARG B 683       1.438  28.148  23.103  1.00 55.32           C  
+ATOM   3842  CD  ARG B 683       2.400  29.240  23.548  1.00 55.32           C  
+ATOM   3843  NE  ARG B 683       2.721  29.130  24.968  1.00 55.32           N  
+ATOM   3844  NH1 ARG B 683       3.866  31.133  25.077  1.00 55.32           N  
+ATOM   3845  NH2 ARG B 683       3.644  29.831  26.951  1.00 55.32           N  
+ATOM   3846  CZ  ARG B 683       3.409  30.031  25.662  1.00 55.32           C  
+ATOM   3847  N   GLU B 684      -0.240  26.981  18.638  1.00 54.82           N  
+ATOM   3848  CA  GLU B 684      -0.471  27.426  17.267  1.00 54.82           C  
+ATOM   3849  C   GLU B 684      -1.500  26.542  16.567  1.00 54.82           C  
+ATOM   3850  CB  GLU B 684       0.839  27.435  16.476  1.00 54.82           C  
+ATOM   3851  O   GLU B 684      -1.883  26.810  15.426  1.00 54.82           O  
+ATOM   3852  CG  GLU B 684       1.771  28.581  16.843  1.00 54.82           C  
+ATOM   3853  CD  GLU B 684       3.014  28.647  15.971  1.00 54.82           C  
+ATOM   3854  OE1 GLU B 684       3.824  29.587  16.138  1.00 54.82           O  
+ATOM   3855  OE2 GLU B 684       3.180  27.751  15.113  1.00 54.82           O  
+ATOM   3856  N   GLY B 685      -2.384  25.749  17.427  1.00 60.65           N  
+ATOM   3857  CA  GLY B 685      -3.540  25.023  16.927  1.00 60.65           C  
+ATOM   3858  C   GLY B 685      -3.175  23.915  15.957  1.00 60.65           C  
+ATOM   3859  O   GLY B 685      -3.893  22.918  15.846  1.00 60.65           O  
+ATOM   3860  N   ASN B 686      -1.864  23.877  15.292  1.00 71.85           N  
+ATOM   3861  CA  ASN B 686      -1.513  22.772  14.407  1.00 71.85           C  
+ATOM   3862  C   ASN B 686      -0.590  21.771  15.097  1.00 71.85           C  
+ATOM   3863  CB  ASN B 686      -0.863  23.296  13.125  1.00 71.85           C  
+ATOM   3864  O   ASN B 686       0.429  22.156  15.674  1.00 71.85           O  
+ATOM   3865  CG  ASN B 686      -1.864  23.933  12.181  1.00 71.85           C  
+ATOM   3866  ND2 ASN B 686      -1.367  24.714  11.229  1.00 71.85           N  
+ATOM   3867  OD1 ASN B 686      -3.074  23.726  12.307  1.00 71.85           O  
+ATOM   3868  N   VAL B 687      -1.065  20.576  15.248  1.00 83.04           N  
+ATOM   3869  CA  VAL B 687      -0.301  19.503  15.876  1.00 83.04           C  
+ATOM   3870  C   VAL B 687       0.729  18.957  14.890  1.00 83.04           C  
+ATOM   3871  CB  VAL B 687      -1.222  18.365  16.370  1.00 83.04           C  
+ATOM   3872  O   VAL B 687       0.381  18.554  13.778  1.00 83.04           O  
+ATOM   3873  CG1 VAL B 687      -0.405  17.260  17.038  1.00 83.04           C  
+ATOM   3874  CG2 VAL B 687      -2.276  18.911  17.332  1.00 83.04           C  
+ATOM   3875  N   ARG B 688       2.054  19.112  15.248  1.00 82.09           N  
+ATOM   3876  CA  ARG B 688       3.129  18.596  14.406  1.00 82.09           C  
+ATOM   3877  C   ARG B 688       3.809  17.398  15.059  1.00 82.09           C  
+ATOM   3878  CB  ARG B 688       4.159  19.691  14.118  1.00 82.09           C  
+ATOM   3879  O   ARG B 688       3.620  17.143  16.251  1.00 82.09           O  
+ATOM   3880  CG  ARG B 688       3.601  20.873  13.342  1.00 82.09           C  
+ATOM   3881  CD  ARG B 688       4.682  21.896  13.018  1.00 82.09           C  
+ATOM   3882  NE  ARG B 688       4.146  23.026  12.265  1.00 82.09           N  
+ATOM   3883  NH1 ARG B 688       6.184  24.081  11.999  1.00 82.09           N  
+ATOM   3884  NH2 ARG B 688       4.282  25.014  11.124  1.00 82.09           N  
+ATOM   3885  CZ  ARG B 688       4.872  24.038  11.798  1.00 82.09           C  
+ATOM   3886  N   VAL B 689       4.524  16.814  14.142  1.00 87.25           N  
+ATOM   3887  CA  VAL B 689       5.246  15.632  14.602  1.00 87.25           C  
+ATOM   3888  C   VAL B 689       6.351  16.046  15.571  1.00 87.25           C  
+ATOM   3889  CB  VAL B 689       5.844  14.837  13.420  1.00 87.25           C  
+ATOM   3890  O   VAL B 689       7.180  16.900  15.248  1.00 87.25           O  
+ATOM   3891  CG1 VAL B 689       6.646  13.639  13.925  1.00 87.25           C  
+ATOM   3892  CG2 VAL B 689       4.737  14.380  12.470  1.00 87.25           C  
+ATOM   3893  N   SER B 690       6.302  15.389  16.759  1.00 89.13           N  
+ATOM   3894  CA  SER B 690       7.324  15.676  17.760  1.00 89.13           C  
+ATOM   3895  C   SER B 690       8.558  14.803  17.557  1.00 89.13           C  
+ATOM   3896  CB  SER B 690       6.768  15.468  19.169  1.00 89.13           C  
+ATOM   3897  O   SER B 690       9.688  15.291  17.619  1.00 89.13           O  
+ATOM   3898  OG  SER B 690       7.761  15.733  20.146  1.00 89.13           O  
+ATOM   3899  N   ARG B 691       8.255  13.535  17.208  1.00 94.03           N  
+ATOM   3900  CA  ARG B 691       9.347  12.579  17.057  1.00 94.03           C  
+ATOM   3901  C   ARG B 691       8.955  11.443  16.118  1.00 94.03           C  
+ATOM   3902  CB  ARG B 691       9.760  12.015  18.418  1.00 94.03           C  
+ATOM   3903  O   ARG B 691       7.810  10.986  16.132  1.00 94.03           O  
+ATOM   3904  CG  ARG B 691      11.203  11.538  18.475  1.00 94.03           C  
+ATOM   3905  CD  ARG B 691      12.184  12.686  18.281  1.00 94.03           C  
+ATOM   3906  NE  ARG B 691      12.062  13.684  19.340  1.00 94.03           N  
+ATOM   3907  NH1 ARG B 691      13.642  15.118  18.454  1.00 94.03           N  
+ATOM   3908  NH2 ARG B 691      12.568  15.654  20.406  1.00 94.03           N  
+ATOM   3909  CZ  ARG B 691      12.758  14.816  19.398  1.00 94.03           C  
+ATOM   3910  N   GLU B 692      10.091  10.921  15.473  1.00 95.12           N  
+ATOM   3911  CA  GLU B 692       9.922   9.731  14.644  1.00 95.12           C  
+ATOM   3912  C   GLU B 692      10.862   8.613  15.086  1.00 95.12           C  
+ATOM   3913  CB  GLU B 692      10.159  10.065  13.169  1.00 95.12           C  
+ATOM   3914  O   GLU B 692      12.070   8.823  15.212  1.00 95.12           O  
+ATOM   3915  CG  GLU B 692       9.112  10.995  12.573  1.00 95.12           C  
+ATOM   3916  CD  GLU B 692       9.335  11.280  11.096  1.00 95.12           C  
+ATOM   3917  OE1 GLU B 692       8.414  11.813  10.435  1.00 95.12           O  
+ATOM   3918  OE2 GLU B 692      10.438  10.967  10.595  1.00 95.12           O  
+ATOM   3919  N   LEU B 693      10.201   7.556  15.292  1.00 96.42           N  
+ATOM   3920  CA  LEU B 693      10.982   6.407  15.737  1.00 96.42           C  
+ATOM   3921  C   LEU B 693      11.115   5.375  14.623  1.00 96.42           C  
+ATOM   3922  CB  LEU B 693      10.338   5.765  16.969  1.00 96.42           C  
+ATOM   3923  O   LEU B 693      10.181   4.613  14.361  1.00 96.42           O  
+ATOM   3924  CG  LEU B 693       9.921   6.718  18.090  1.00 96.42           C  
+ATOM   3925  CD1 LEU B 693       9.202   5.953  19.196  1.00 96.42           C  
+ATOM   3926  CD2 LEU B 693      11.134   7.456  18.645  1.00 96.42           C  
+ATOM   3927  N   ALA B 694      12.320   5.392  14.030  1.00 93.80           N  
+ATOM   3928  CA  ALA B 694      12.578   4.543  12.869  1.00 93.80           C  
+ATOM   3929  C   ALA B 694      13.544   3.415  13.218  1.00 93.80           C  
+ATOM   3930  CB  ALA B 694      13.132   5.375  11.714  1.00 93.80           C  
+ATOM   3931  O   ALA B 694      14.690   3.665  13.600  1.00 93.80           O  
+ATOM   3932  N   GLY B 695      13.047   2.193  13.333  1.00 90.10           N  
+ATOM   3933  CA  GLY B 695      13.921   1.081  13.670  1.00 90.10           C  
+ATOM   3934  C   GLY B 695      13.376  -0.262  13.223  1.00 90.10           C  
+ATOM   3935  O   GLY B 695      14.143  -1.176  12.911  1.00 90.10           O  
+ATOM   3936  N   HIS B 696      12.222  -0.318  12.981  1.00 94.26           N  
+ATOM   3937  CA  HIS B 696      11.617  -1.572  12.547  1.00 94.26           C  
+ATOM   3938  C   HIS B 696      11.825  -1.797  11.053  1.00 94.26           C  
+ATOM   3939  CB  HIS B 696      10.123  -1.588  12.877  1.00 94.26           C  
+ATOM   3940  O   HIS B 696      11.891  -0.838  10.280  1.00 94.26           O  
+ATOM   3941  CG  HIS B 696       9.827  -1.920  14.305  1.00 94.26           C  
+ATOM   3942  CD2 HIS B 696       9.168  -1.225  15.261  1.00 94.26           C  
+ATOM   3943  ND1 HIS B 696      10.232  -3.098  14.894  1.00 94.26           N  
+ATOM   3944  CE1 HIS B 696       9.832  -3.113  16.154  1.00 94.26           C  
+ATOM   3945  NE2 HIS B 696       9.185  -1.988  16.402  1.00 94.26           N  
+ATOM   3946  N   THR B 697      11.973  -3.036  10.563  1.00 92.06           N  
+ATOM   3947  CA  THR B 697      12.134  -3.390   9.157  1.00 92.06           C  
+ATOM   3948  C   THR B 697      10.818  -3.894   8.572  1.00 92.06           C  
+ATOM   3949  CB  THR B 697      13.225  -4.460   8.971  1.00 92.06           C  
+ATOM   3950  O   THR B 697      10.762  -4.287   7.405  1.00 92.06           O  
+ATOM   3951  CG2 THR B 697      14.583  -3.948   9.440  1.00 92.06           C  
+ATOM   3952  OG1 THR B 697      12.878  -5.625   9.731  1.00 92.06           O  
+ATOM   3953  N   GLY B 698       9.824  -3.970   9.416  1.00 89.41           N  
+ATOM   3954  CA  GLY B 698       8.474  -4.340   9.025  1.00 89.41           C  
+ATOM   3955  C   GLY B 698       7.425  -3.345   9.485  1.00 89.41           C  
+ATOM   3956  O   GLY B 698       7.752  -2.340  10.120  1.00 89.41           O  
+ATOM   3957  N   TYR B 699       6.111  -3.620   9.070  1.00 93.25           N  
+ATOM   3958  CA  TYR B 699       5.054  -2.686   9.440  1.00 93.25           C  
+ATOM   3959  C   TYR B 699       4.816  -2.701  10.946  1.00 93.25           C  
+ATOM   3960  CB  TYR B 699       3.755  -3.025   8.703  1.00 93.25           C  
+ATOM   3961  O   TYR B 699       5.115  -3.691  11.618  1.00 93.25           O  
+ATOM   3962  CG  TYR B 699       3.242  -4.416   8.985  1.00 93.25           C  
+ATOM   3963  CD1 TYR B 699       3.543  -5.476   8.133  1.00 93.25           C  
+ATOM   3964  CD2 TYR B 699       2.455  -4.673  10.103  1.00 93.25           C  
+ATOM   3965  CE1 TYR B 699       3.071  -6.760   8.387  1.00 93.25           C  
+ATOM   3966  CE2 TYR B 699       1.978  -5.953  10.367  1.00 93.25           C  
+ATOM   3967  OH  TYR B 699       1.821  -8.257   9.762  1.00 93.25           O  
+ATOM   3968  CZ  TYR B 699       2.291  -6.988   9.505  1.00 93.25           C  
+ATOM   3969  N   LEU B 700       4.302  -1.573  11.429  1.00 97.09           N  
+ATOM   3970  CA  LEU B 700       3.943  -1.486  12.840  1.00 97.09           C  
+ATOM   3971  C   LEU B 700       2.507  -1.947  13.065  1.00 97.09           C  
+ATOM   3972  CB  LEU B 700       4.118  -0.053  13.351  1.00 97.09           C  
+ATOM   3973  O   LEU B 700       1.578  -1.422  12.447  1.00 97.09           O  
+ATOM   3974  CG  LEU B 700       5.526   0.338  13.804  1.00 97.09           C  
+ATOM   3975  CD1 LEU B 700       6.392   0.689  12.599  1.00 97.09           C  
+ATOM   3976  CD2 LEU B 700       5.467   1.503  14.785  1.00 97.09           C  
+ATOM   3977  N   SER B 701       2.443  -2.914  13.919  1.00 96.70           N  
+ATOM   3978  CA  SER B 701       1.118  -3.485  14.140  1.00 96.70           C  
+ATOM   3979  C   SER B 701       0.444  -2.862  15.358  1.00 96.70           C  
+ATOM   3980  CB  SER B 701       1.211  -5.001  14.318  1.00 96.70           C  
+ATOM   3981  O   SER B 701      -0.784  -2.776  15.418  1.00 96.70           O  
+ATOM   3982  OG  SER B 701       2.066  -5.329  15.399  1.00 96.70           O  
+ATOM   3983  N   CYS B 702       1.144  -2.498  16.422  1.00 98.02           N  
+ATOM   3984  CA  CYS B 702       0.593  -1.930  17.648  1.00 98.02           C  
+ATOM   3985  C   CYS B 702       1.641  -1.107  18.387  1.00 98.02           C  
+ATOM   3986  CB  CYS B 702       0.063  -3.036  18.560  1.00 98.02           C  
+ATOM   3987  O   CYS B 702       2.841  -1.352  18.247  1.00 98.02           O  
+ATOM   3988  SG  CYS B 702      -0.829  -2.422  20.006  1.00 98.02           S  
+ATOM   3989  N   CYS B 703       1.148  -0.070  19.141  1.00 98.07           N  
+ATOM   3990  CA  CYS B 703       2.030   0.724  19.989  1.00 98.07           C  
+ATOM   3991  C   CYS B 703       1.330   1.121  21.283  1.00 98.07           C  
+ATOM   3992  CB  CYS B 703       2.502   1.975  19.250  1.00 98.07           C  
+ATOM   3993  O   CYS B 703       0.128   1.394  21.285  1.00 98.07           O  
+ATOM   3994  SG  CYS B 703       1.169   3.118  18.828  1.00 98.07           S  
+ATOM   3995  N   ARG B 704       2.115   1.130  22.448  1.00 98.13           N  
+ATOM   3996  CA  ARG B 704       1.583   1.518  23.750  1.00 98.13           C  
+ATOM   3997  C   ARG B 704       2.613   2.311  24.548  1.00 98.13           C  
+ATOM   3998  CB  ARG B 704       1.145   0.283  24.542  1.00 98.13           C  
+ATOM   3999  O   ARG B 704       3.783   1.930  24.613  1.00 98.13           O  
+ATOM   4000  CG  ARG B 704      -0.070  -0.422  23.960  1.00 98.13           C  
+ATOM   4001  CD  ARG B 704      -1.329   0.424  24.092  1.00 98.13           C  
+ATOM   4002  NE  ARG B 704      -2.506  -0.279  23.588  1.00 98.13           N  
+ATOM   4003  NH1 ARG B 704      -2.342   0.556  21.440  1.00 98.13           N  
+ATOM   4004  NH2 ARG B 704      -4.040  -0.883  21.989  1.00 98.13           N  
+ATOM   4005  CZ  ARG B 704      -2.960  -0.200  22.340  1.00 98.13           C  
+ATOM   4006  N   PHE B 705       2.105   3.452  25.089  1.00 98.13           N  
+ATOM   4007  CA  PHE B 705       2.969   4.261  25.941  1.00 98.13           C  
+ATOM   4008  C   PHE B 705       3.128   3.621  27.315  1.00 98.13           C  
+ATOM   4009  CB  PHE B 705       2.408   5.679  26.085  1.00 98.13           C  
+ATOM   4010  O   PHE B 705       2.144   3.199  27.927  1.00 98.13           O  
+ATOM   4011  CG  PHE B 705       2.624   6.543  24.872  1.00 98.13           C  
+ATOM   4012  CD1 PHE B 705       3.807   7.254  24.709  1.00 98.13           C  
+ATOM   4013  CD2 PHE B 705       1.644   6.645  23.894  1.00 98.13           C  
+ATOM   4014  CE1 PHE B 705       4.010   8.054  23.587  1.00 98.13           C  
+ATOM   4015  CE2 PHE B 705       1.839   7.443  22.770  1.00 98.13           C  
+ATOM   4016  CZ  PHE B 705       3.023   8.147  22.619  1.00 98.13           C  
+ATOM   4017  N   LEU B 706       4.413   3.531  27.697  1.00 96.81           N  
+ATOM   4018  CA  LEU B 706       4.649   3.234  29.106  1.00 96.81           C  
+ATOM   4019  C   LEU B 706       4.467   4.482  29.962  1.00 96.81           C  
+ATOM   4020  CB  LEU B 706       6.056   2.664  29.305  1.00 96.81           C  
+ATOM   4021  O   LEU B 706       3.871   4.419  31.040  1.00 96.81           O  
+ATOM   4022  CG  LEU B 706       6.235   1.176  28.997  1.00 96.81           C  
+ATOM   4023  CD1 LEU B 706       6.220   0.942  27.490  1.00 96.81           C  
+ATOM   4024  CD2 LEU B 706       7.529   0.655  29.612  1.00 96.81           C  
+ATOM   4025  N   ASP B 707       4.955   5.526  29.455  1.00 95.98           N  
+ATOM   4026  CA  ASP B 707       4.870   6.890  29.966  1.00 95.98           C  
+ATOM   4027  C   ASP B 707       5.199   7.907  28.876  1.00 95.98           C  
+ATOM   4028  CB  ASP B 707       5.810   7.076  31.160  1.00 95.98           C  
+ATOM   4029  O   ASP B 707       5.198   7.575  27.689  1.00 95.98           O  
+ATOM   4030  CG  ASP B 707       7.257   6.755  30.830  1.00 95.98           C  
+ATOM   4031  OD1 ASP B 707       7.764   7.225  29.789  1.00 95.98           O  
+ATOM   4032  OD2 ASP B 707       7.895   6.023  31.617  1.00 95.98           O  
+ATOM   4033  N   ASP B 708       5.452   9.170  29.292  1.00 94.99           N  
+ATOM   4034  CA  ASP B 708       5.662  10.222  28.301  1.00 94.99           C  
+ATOM   4035  C   ASP B 708       7.053  10.121  27.680  1.00 94.99           C  
+ATOM   4036  CB  ASP B 708       5.467  11.601  28.934  1.00 94.99           C  
+ATOM   4037  O   ASP B 708       7.335  10.770  26.670  1.00 94.99           O  
+ATOM   4038  CG  ASP B 708       4.005  11.956  29.145  1.00 94.99           C  
+ATOM   4039  OD1 ASP B 708       3.128  11.100  28.897  1.00 94.99           O  
+ATOM   4040  OD2 ASP B 708       3.728  13.101  29.562  1.00 94.99           O  
+ATOM   4041  N   ASN B 709       7.862   9.172  28.231  1.00 96.66           N  
+ATOM   4042  CA  ASN B 709       9.241   9.094  27.763  1.00 96.66           C  
+ATOM   4043  C   ASN B 709       9.509   7.788  27.022  1.00 96.66           C  
+ATOM   4044  CB  ASN B 709      10.215   9.250  28.933  1.00 96.66           C  
+ATOM   4045  O   ASN B 709      10.475   7.686  26.263  1.00 96.66           O  
+ATOM   4046  CG  ASN B 709      10.152  10.625  29.567  1.00 96.66           C  
+ATOM   4047  ND2 ASN B 709      10.447  10.697  30.860  1.00 96.66           N  
+ATOM   4048  OD1 ASN B 709       9.839  11.616  28.901  1.00 96.66           O  
+ATOM   4049  N   GLN B 710       8.673   6.878  27.259  1.00 97.70           N  
+ATOM   4050  CA  GLN B 710       8.932   5.567  26.673  1.00 97.70           C  
+ATOM   4051  C   GLN B 710       7.676   4.999  26.018  1.00 97.70           C  
+ATOM   4052  CB  GLN B 710       9.454   4.598  27.735  1.00 97.70           C  
+ATOM   4053  O   GLN B 710       6.564   5.212  26.507  1.00 97.70           O  
+ATOM   4054  CG  GLN B 710      10.826   4.967  28.283  1.00 97.70           C  
+ATOM   4055  CD  GLN B 710      11.345   3.960  29.292  1.00 97.70           C  
+ATOM   4056  NE2 GLN B 710      12.646   3.694  29.249  1.00 97.70           N  
+ATOM   4057  OE1 GLN B 710      10.583   3.426  30.105  1.00 97.70           O  
+ATOM   4058  N   ILE B 711       7.943   4.236  24.961  1.00 98.40           N  
+ATOM   4059  CA  ILE B 711       6.847   3.578  24.258  1.00 98.40           C  
+ATOM   4060  C   ILE B 711       7.308   2.214  23.748  1.00 98.40           C  
+ATOM   4061  CB  ILE B 711       6.328   4.441  23.087  1.00 98.40           C  
+ATOM   4062  O   ILE B 711       8.481   2.034  23.412  1.00 98.40           O  
+ATOM   4063  CG1 ILE B 711       5.039   3.842  22.513  1.00 98.40           C  
+ATOM   4064  CG2 ILE B 711       7.399   4.579  22.001  1.00 98.40           C  
+ATOM   4065  CD1 ILE B 711       4.344   4.731  21.490  1.00 98.40           C  
+ATOM   4066  N   VAL B 712       6.304   1.266  23.716  1.00 98.35           N  
+ATOM   4067  CA  VAL B 712       6.586  -0.064  23.185  1.00 98.35           C  
+ATOM   4068  C   VAL B 712       5.822  -0.271  21.879  1.00 98.35           C  
+ATOM   4069  CB  VAL B 712       6.218  -1.170  24.199  1.00 98.35           C  
+ATOM   4070  O   VAL B 712       4.658   0.121  21.764  1.00 98.35           O  
+ATOM   4071  CG1 VAL B 712       6.507  -2.553  23.617  1.00 98.35           C  
+ATOM   4072  CG2 VAL B 712       6.979  -0.968  25.507  1.00 98.35           C  
+ATOM   4073  N   THR B 713       6.561  -0.895  20.947  1.00 98.58           N  
+ATOM   4074  CA  THR B 713       5.937  -1.147  19.653  1.00 98.58           C  
+ATOM   4075  C   THR B 713       6.067  -2.618  19.267  1.00 98.58           C  
+ATOM   4076  CB  THR B 713       6.558  -0.267  18.553  1.00 98.58           C  
+ATOM   4077  O   THR B 713       6.995  -3.300  19.706  1.00 98.58           O  
+ATOM   4078  CG2 THR B 713       6.365   1.214  18.859  1.00 98.58           C  
+ATOM   4079  OG1 THR B 713       7.960  -0.547  18.460  1.00 98.58           O  
+ATOM   4080  N   SER B 714       5.052  -3.100  18.521  1.00 98.18           N  
+ATOM   4081  CA  SER B 714       5.122  -4.417  17.896  1.00 98.18           C  
+ATOM   4082  C   SER B 714       5.124  -4.307  16.375  1.00 98.18           C  
+ATOM   4083  CB  SER B 714       3.953  -5.290  18.351  1.00 98.18           C  
+ATOM   4084  O   SER B 714       4.515  -3.394  15.813  1.00 98.18           O  
+ATOM   4085  OG  SER B 714       2.720  -4.754  17.902  1.00 98.18           O  
+ATOM   4086  N   SER B 715       5.816  -5.342  15.675  1.00 98.07           N  
+ATOM   4087  CA  SER B 715       6.044  -5.150  14.246  1.00 98.07           C  
+ATOM   4088  C   SER B 715       5.966  -6.472  13.491  1.00 98.07           C  
+ATOM   4089  CB  SER B 715       7.405  -4.495  14.004  1.00 98.07           C  
+ATOM   4090  O   SER B 715       6.066  -7.543  14.092  1.00 98.07           O  
+ATOM   4091  OG  SER B 715       7.697  -4.440  12.618  1.00 98.07           O  
+ATOM   4092  N   GLY B 716       5.752  -6.274  12.134  1.00 95.73           N  
+ATOM   4093  CA  GLY B 716       5.761  -7.410  11.226  1.00 95.73           C  
+ATOM   4094  C   GLY B 716       7.149  -7.976  10.993  1.00 95.73           C  
+ATOM   4095  O   GLY B 716       7.317  -8.929  10.229  1.00 95.73           O  
+ATOM   4096  N   ASP B 717       8.094  -7.449  11.583  1.00 94.98           N  
+ATOM   4097  CA  ASP B 717       9.456  -7.966  11.486  1.00 94.98           C  
+ATOM   4098  C   ASP B 717       9.725  -9.012  12.566  1.00 94.98           C  
+ATOM   4099  CB  ASP B 717      10.471  -6.827  11.593  1.00 94.98           C  
+ATOM   4100  O   ASP B 717      10.879  -9.338  12.848  1.00 94.98           O  
+ATOM   4101  CG  ASP B 717      10.437  -6.127  12.940  1.00 94.98           C  
+ATOM   4102  OD1 ASP B 717       9.740  -6.607  13.860  1.00 94.98           O  
+ATOM   4103  OD2 ASP B 717      11.111  -5.083  13.082  1.00 94.98           O  
+ATOM   4104  N   THR B 718       8.703  -9.384  13.245  1.00 97.22           N  
+ATOM   4105  CA  THR B 718       8.661 -10.476  14.211  1.00 97.22           C  
+ATOM   4106  C   THR B 718       9.204 -10.023  15.564  1.00 97.22           C  
+ATOM   4107  CB  THR B 718       9.464 -11.693  13.714  1.00 97.22           C  
+ATOM   4108  O   THR B 718       9.526 -10.851  16.418  1.00 97.22           O  
+ATOM   4109  CG2 THR B 718       9.006 -12.124  12.325  1.00 97.22           C  
+ATOM   4110  OG1 THR B 718      10.855 -11.351  13.662  1.00 97.22           O  
+ATOM   4111  N   THR B 719       9.411  -8.731  15.773  1.00 97.64           N  
+ATOM   4112  CA  THR B 719       9.983  -8.236  17.020  1.00 97.64           C  
+ATOM   4113  C   THR B 719       9.080  -7.179  17.648  1.00 97.64           C  
+ATOM   4114  CB  THR B 719      11.388  -7.647  16.794  1.00 97.64           C  
+ATOM   4115  O   THR B 719       8.188  -6.644  16.986  1.00 97.64           O  
+ATOM   4116  CG2 THR B 719      12.308  -8.660  16.120  1.00 97.64           C  
+ATOM   4117  OG1 THR B 719      11.284  -6.484  15.963  1.00 97.64           O  
+ATOM   4118  N   CYS B 720       9.279  -6.966  18.978  1.00 98.21           N  
+ATOM   4119  CA  CYS B 720       8.831  -5.786  19.708  1.00 98.21           C  
+ATOM   4120  C   CYS B 720      10.014  -4.916  20.116  1.00 98.21           C  
+ATOM   4121  CB  CYS B 720       8.034  -6.192  20.947  1.00 98.21           C  
+ATOM   4122  O   CYS B 720      11.143  -5.399  20.207  1.00 98.21           O  
+ATOM   4123  SG  CYS B 720       6.579  -7.198  20.579  1.00 98.21           S  
+ATOM   4124  N   ALA B 721       9.694  -3.620  20.247  1.00 97.90           N  
+ATOM   4125  CA  ALA B 721      10.796  -2.723  20.585  1.00 97.90           C  
+ATOM   4126  C   ALA B 721      10.367  -1.698  21.631  1.00 97.90           C  
+ATOM   4127  CB  ALA B 721      11.310  -2.017  19.332  1.00 97.90           C  
+ATOM   4128  O   ALA B 721       9.232  -1.218  21.610  1.00 97.90           O  
+ATOM   4129  N   LEU B 722      11.276  -1.444  22.570  1.00 98.17           N  
+ATOM   4130  CA  LEU B 722      11.134  -0.361  23.537  1.00 98.17           C  
+ATOM   4131  C   LEU B 722      11.926   0.866  23.099  1.00 98.17           C  
+ATOM   4132  CB  LEU B 722      11.599  -0.816  24.923  1.00 98.17           C  
+ATOM   4133  O   LEU B 722      13.107   0.760  22.762  1.00 98.17           O  
+ATOM   4134  CG  LEU B 722      11.496   0.218  26.045  1.00 98.17           C  
+ATOM   4135  CD1 LEU B 722      10.036   0.575  26.304  1.00 98.17           C  
+ATOM   4136  CD2 LEU B 722      12.157  -0.305  27.316  1.00 98.17           C  
+ATOM   4137  N   TRP B 723      11.216   2.012  23.196  1.00 98.13           N  
+ATOM   4138  CA  TRP B 723      11.823   3.225  22.658  1.00 98.13           C  
+ATOM   4139  C   TRP B 723      11.929   4.303  23.731  1.00 98.13           C  
+ATOM   4140  CB  TRP B 723      11.014   3.749  21.468  1.00 98.13           C  
+ATOM   4141  O   TRP B 723      11.057   4.413  24.597  1.00 98.13           O  
+ATOM   4142  CG  TRP B 723      10.805   2.738  20.381  1.00 98.13           C  
+ATOM   4143  CD1 TRP B 723       9.826   1.785  20.319  1.00 98.13           C  
+ATOM   4144  CD2 TRP B 723      11.598   2.576  19.201  1.00 98.13           C  
+ATOM   4145  CE2 TRP B 723      11.041   1.506  18.467  1.00 98.13           C  
+ATOM   4146  CE3 TRP B 723      12.726   3.234  18.693  1.00 98.13           C  
+ATOM   4147  NE1 TRP B 723       9.962   1.041  19.170  1.00 98.13           N  
+ATOM   4148  CH2 TRP B 723      12.679   1.738  16.775  1.00 98.13           C  
+ATOM   4149  CZ2 TRP B 723      11.576   1.078  17.249  1.00 98.13           C  
+ATOM   4150  CZ3 TRP B 723      13.256   2.807  17.481  1.00 98.13           C  
+ATOM   4151  N   ASP B 724      13.009   4.988  23.590  1.00 97.26           N  
+ATOM   4152  CA  ASP B 724      13.120   6.271  24.278  1.00 97.26           C  
+ATOM   4153  C   ASP B 724      12.672   7.418  23.376  1.00 97.26           C  
+ATOM   4154  CB  ASP B 724      14.557   6.504  24.751  1.00 97.26           C  
+ATOM   4155  O   ASP B 724      13.298   7.687  22.348  1.00 97.26           O  
+ATOM   4156  CG  ASP B 724      14.714   7.778  25.562  1.00 97.26           C  
+ATOM   4157  OD1 ASP B 724      15.034   8.836  24.980  1.00 97.26           O  
+ATOM   4158  OD2 ASP B 724      14.520   7.722  26.796  1.00 97.26           O  
+ATOM   4159  N   ILE B 725      11.656   8.075  23.828  1.00 96.67           N  
+ATOM   4160  CA  ILE B 725      10.994   9.038  22.955  1.00 96.67           C  
+ATOM   4161  C   ILE B 725      11.871  10.278  22.795  1.00 96.67           C  
+ATOM   4162  CB  ILE B 725       9.603   9.433  23.501  1.00 96.67           C  
+ATOM   4163  O   ILE B 725      11.996  10.819  21.694  1.00 96.67           O  
+ATOM   4164  CG1 ILE B 725       8.664   8.221  23.497  1.00 96.67           C  
+ATOM   4165  CG2 ILE B 725       9.011  10.587  22.687  1.00 96.67           C  
+ATOM   4166  CD1 ILE B 725       7.328   8.470  24.182  1.00 96.67           C  
+ATOM   4167  N   GLU B 726      12.511  10.683  23.796  1.00 93.93           N  
+ATOM   4168  CA  GLU B 726      13.351  11.877  23.766  1.00 93.93           C  
+ATOM   4169  C   GLU B 726      14.525  11.702  22.807  1.00 93.93           C  
+ATOM   4170  CB  GLU B 726      13.864  12.209  25.170  1.00 93.93           C  
+ATOM   4171  O   GLU B 726      14.769  12.557  21.953  1.00 93.93           O  
+ATOM   4172  CG  GLU B 726      14.623  13.525  25.252  1.00 93.93           C  
+ATOM   4173  CD  GLU B 726      15.026  13.897  26.670  1.00 93.93           C  
+ATOM   4174  OE1 GLU B 726      15.658  14.961  26.862  1.00 93.93           O  
+ATOM   4175  OE2 GLU B 726      14.709  13.119  27.597  1.00 93.93           O  
+ATOM   4176  N   THR B 727      15.191  10.565  22.893  1.00 94.79           N  
+ATOM   4177  CA  THR B 727      16.390  10.354  22.090  1.00 94.79           C  
+ATOM   4178  C   THR B 727      16.034   9.741  20.738  1.00 94.79           C  
+ATOM   4179  CB  THR B 727      17.398   9.447  22.818  1.00 94.79           C  
+ATOM   4180  O   THR B 727      16.816   9.823  19.788  1.00 94.79           O  
+ATOM   4181  CG2 THR B 727      17.762  10.016  24.185  1.00 94.79           C  
+ATOM   4182  OG1 THR B 727      16.823   8.146  22.993  1.00 94.79           O  
+ATOM   4183  N   GLY B 728      14.906   9.147  20.617  1.00 94.54           N  
+ATOM   4184  CA  GLY B 728      14.468   8.471  19.406  1.00 94.54           C  
+ATOM   4185  C   GLY B 728      15.157   7.138  19.185  1.00 94.54           C  
+ATOM   4186  O   GLY B 728      15.071   6.561  18.099  1.00 94.54           O  
+ATOM   4187  N   GLN B 729      15.818   6.691  20.217  1.00 94.73           N  
+ATOM   4188  CA  GLN B 729      16.599   5.465  20.088  1.00 94.73           C  
+ATOM   4189  C   GLN B 729      15.824   4.261  20.616  1.00 94.73           C  
+ATOM   4190  CB  GLN B 729      17.932   5.597  20.827  1.00 94.73           C  
+ATOM   4191  O   GLN B 729      15.059   4.381  21.575  1.00 94.73           O  
+ATOM   4192  CG  GLN B 729      18.922   6.532  20.147  1.00 94.73           C  
+ATOM   4193  CD  GLN B 729      20.331   6.393  20.693  1.00 94.73           C  
+ATOM   4194  NE2 GLN B 729      21.297   6.988  20.001  1.00 94.73           N  
+ATOM   4195  OE1 GLN B 729      20.550   5.757  21.728  1.00 94.73           O  
+ATOM   4196  N   GLN B 730      16.142   3.205  19.862  1.00 95.62           N  
+ATOM   4197  CA  GLN B 730      15.640   1.915  20.324  1.00 95.62           C  
+ATOM   4198  C   GLN B 730      16.463   1.392  21.497  1.00 95.62           C  
+ATOM   4199  CB  GLN B 730      15.645   0.897  19.183  1.00 95.62           C  
+ATOM   4200  O   GLN B 730      17.661   1.137  21.357  1.00 95.62           O  
+ATOM   4201  CG  GLN B 730      14.956  -0.417  19.527  1.00 95.62           C  
+ATOM   4202  CD  GLN B 730      14.985  -1.413  18.383  1.00 95.62           C  
+ATOM   4203  NE2 GLN B 730      15.216  -2.681  18.706  1.00 95.62           N  
+ATOM   4204  OE1 GLN B 730      14.800  -1.046  17.218  1.00 95.62           O  
+ATOM   4205  N   THR B 731      15.742   1.223  22.752  1.00 95.00           N  
+ATOM   4206  CA  THR B 731      16.462   0.843  23.962  1.00 95.00           C  
+ATOM   4207  C   THR B 731      16.592  -0.674  24.060  1.00 95.00           C  
+ATOM   4208  CB  THR B 731      15.761   1.383  25.222  1.00 95.00           C  
+ATOM   4209  O   THR B 731      17.672  -1.192  24.353  1.00 95.00           O  
+ATOM   4210  CG2 THR B 731      15.825   2.906  25.277  1.00 95.00           C  
+ATOM   4211  OG1 THR B 731      14.388   0.974  25.210  1.00 95.00           O  
+ATOM   4212  N   THR B 732      15.506  -1.322  23.827  1.00 96.28           N  
+ATOM   4213  CA  THR B 732      15.496  -2.777  23.933  1.00 96.28           C  
+ATOM   4214  C   THR B 732      14.720  -3.398  22.775  1.00 96.28           C  
+ATOM   4215  CB  THR B 732      14.883  -3.236  25.269  1.00 96.28           C  
+ATOM   4216  O   THR B 732      13.666  -2.892  22.384  1.00 96.28           O  
+ATOM   4217  CG2 THR B 732      15.023  -4.744  25.449  1.00 96.28           C  
+ATOM   4218  OG1 THR B 732      15.554  -2.572  26.348  1.00 96.28           O  
+ATOM   4219  N   THR B 733      15.277  -4.516  22.257  1.00 96.69           N  
+ATOM   4220  CA  THR B 733      14.569  -5.306  21.256  1.00 96.69           C  
+ATOM   4221  C   THR B 733      14.151  -6.657  21.830  1.00 96.69           C  
+ATOM   4222  CB  THR B 733      15.436  -5.525  20.001  1.00 96.69           C  
+ATOM   4223  O   THR B 733      14.971  -7.371  22.410  1.00 96.69           O  
+ATOM   4224  CG2 THR B 733      14.678  -6.317  18.941  1.00 96.69           C  
+ATOM   4225  OG1 THR B 733      15.807  -4.252  19.457  1.00 96.69           O  
+ATOM   4226  N   PHE B 734      12.859  -6.914  21.665  1.00 97.80           N  
+ATOM   4227  CA  PHE B 734      12.313  -8.175  22.154  1.00 97.80           C  
+ATOM   4228  C   PHE B 734      12.126  -9.164  21.010  1.00 97.80           C  
+ATOM   4229  CB  PHE B 734      10.979  -7.942  22.870  1.00 97.80           C  
+ATOM   4230  O   PHE B 734      11.211  -9.015  20.196  1.00 97.80           O  
+ATOM   4231  CG  PHE B 734      11.054  -6.929  23.980  1.00 97.80           C  
+ATOM   4232  CD1 PHE B 734      11.378  -7.318  25.274  1.00 97.80           C  
+ATOM   4233  CD2 PHE B 734      10.801  -5.587  23.729  1.00 97.80           C  
+ATOM   4234  CE1 PHE B 734      11.449  -6.382  26.304  1.00 97.80           C  
+ATOM   4235  CE2 PHE B 734      10.870  -4.646  24.753  1.00 97.80           C  
+ATOM   4236  CZ  PHE B 734      11.193  -5.046  26.040  1.00 97.80           C  
+ATOM   4237  N   THR B 735      13.042 -10.254  21.056  1.00 95.80           N  
+ATOM   4238  CA  THR B 735      13.054 -11.249  19.989  1.00 95.80           C  
+ATOM   4239  C   THR B 735      12.570 -12.601  20.505  1.00 95.80           C  
+ATOM   4240  CB  THR B 735      14.462 -11.401  19.383  1.00 95.80           C  
+ATOM   4241  O   THR B 735      12.914 -13.006  21.617  1.00 95.80           O  
+ATOM   4242  CG2 THR B 735      14.925 -10.102  18.734  1.00 95.80           C  
+ATOM   4243  OG1 THR B 735      15.385 -11.761  20.419  1.00 95.80           O  
+ATOM   4244  N   GLY B 736      11.593 -13.164  19.817  1.00 93.42           N  
+ATOM   4245  CA  GLY B 736      11.098 -14.467  20.235  1.00 93.42           C  
+ATOM   4246  C   GLY B 736       9.999 -15.003  19.338  1.00 93.42           C  
+ATOM   4247  O   GLY B 736       9.922 -16.209  19.094  1.00 93.42           O  
+ATOM   4248  N   HIS B 737       9.310 -14.242  18.717  1.00 96.76           N  
+ATOM   4249  CA  HIS B 737       8.243 -14.677  17.824  1.00 96.76           C  
+ATOM   4250  C   HIS B 737       8.800 -15.129  16.478  1.00 96.76           C  
+ATOM   4251  CB  HIS B 737       7.225 -13.553  17.619  1.00 96.76           C  
+ATOM   4252  O   HIS B 737       9.836 -14.631  16.032  1.00 96.76           O  
+ATOM   4253  CG  HIS B 737       6.261 -13.403  18.753  1.00 96.76           C  
+ATOM   4254  CD2 HIS B 737       6.072 -12.391  19.631  1.00 96.76           C  
+ATOM   4255  ND1 HIS B 737       5.347 -14.379  19.087  1.00 96.76           N  
+ATOM   4256  CE1 HIS B 737       4.635 -13.971  20.124  1.00 96.76           C  
+ATOM   4257  NE2 HIS B 737       5.056 -12.768  20.474  1.00 96.76           N  
+ATOM   4258  N   THR B 738       8.157 -16.057  15.812  1.00 93.67           N  
+ATOM   4259  CA  THR B 738       8.573 -16.553  14.505  1.00 93.67           C  
+ATOM   4260  C   THR B 738       7.637 -16.045  13.411  1.00 93.67           C  
+ATOM   4261  CB  THR B 738       8.611 -18.092  14.477  1.00 93.67           C  
+ATOM   4262  O   THR B 738       7.803 -16.385  12.238  1.00 93.67           O  
+ATOM   4263  CG2 THR B 738       9.649 -18.634  15.454  1.00 93.67           C  
+ATOM   4264  OG1 THR B 738       7.321 -18.603  14.835  1.00 93.67           O  
+ATOM   4265  N   GLY B 739       6.660 -15.333  13.785  1.00 92.43           N  
+ATOM   4266  CA  GLY B 739       5.732 -14.680  12.876  1.00 92.43           C  
+ATOM   4267  C   GLY B 739       5.527 -13.209  13.187  1.00 92.43           C  
+ATOM   4268  O   GLY B 739       6.092 -12.689  14.151  1.00 92.43           O  
+ATOM   4269  N   ASP B 740       4.722 -12.553  12.342  1.00 97.24           N  
+ATOM   4270  CA  ASP B 740       4.413 -11.143  12.557  1.00 97.24           C  
+ATOM   4271  C   ASP B 740       3.751 -10.926  13.916  1.00 97.24           C  
+ATOM   4272  CB  ASP B 740       3.509 -10.616  11.441  1.00 97.24           C  
+ATOM   4273  O   ASP B 740       2.783 -11.610  14.256  1.00 97.24           O  
+ATOM   4274  CG  ASP B 740       4.179 -10.631  10.078  1.00 97.24           C  
+ATOM   4275  OD1 ASP B 740       5.346 -11.066   9.977  1.00 97.24           O  
+ATOM   4276  OD2 ASP B 740       3.534 -10.201   9.097  1.00 97.24           O  
+ATOM   4277  N   VAL B 741       4.316 -10.001  14.622  1.00 98.39           N  
+ATOM   4278  CA  VAL B 741       3.669  -9.641  15.879  1.00 98.39           C  
+ATOM   4279  C   VAL B 741       2.491  -8.708  15.606  1.00 98.39           C  
+ATOM   4280  CB  VAL B 741       4.661  -8.973  16.858  1.00 98.39           C  
+ATOM   4281  O   VAL B 741       2.671  -7.611  15.074  1.00 98.39           O  
+ATOM   4282  CG1 VAL B 741       3.994  -8.706  18.206  1.00 98.39           C  
+ATOM   4283  CG2 VAL B 741       5.902  -9.846  17.037  1.00 98.39           C  
+ATOM   4284  N   MET B 742       1.318  -9.137  15.992  1.00 97.23           N  
+ATOM   4285  CA  MET B 742       0.097  -8.482  15.531  1.00 97.23           C  
+ATOM   4286  C   MET B 742      -0.449  -7.535  16.595  1.00 97.23           C  
+ATOM   4287  CB  MET B 742      -0.964  -9.520  15.160  1.00 97.23           C  
+ATOM   4288  O   MET B 742      -1.149  -6.573  16.275  1.00 97.23           O  
+ATOM   4289  CG  MET B 742      -0.604 -10.357  13.943  1.00 97.23           C  
+ATOM   4290  SD  MET B 742      -0.366  -9.338  12.435  1.00 97.23           S  
+ATOM   4291  CE  MET B 742      -2.052  -8.709  12.204  1.00 97.23           C  
+ATOM   4292  N   SER B 743      -0.237  -7.831  17.880  1.00 97.15           N  
+ATOM   4293  CA  SER B 743      -0.826  -7.037  18.954  1.00 97.15           C  
+ATOM   4294  C   SER B 743       0.011  -7.122  20.226  1.00 97.15           C  
+ATOM   4295  CB  SER B 743      -2.254  -7.500  19.242  1.00 97.15           C  
+ATOM   4296  O   SER B 743       0.735  -8.098  20.436  1.00 97.15           O  
+ATOM   4297  OG  SER B 743      -2.838  -6.721  20.272  1.00 97.15           O  
+ATOM   4298  N   LEU B 744      -0.064  -6.117  21.002  1.00 97.74           N  
+ATOM   4299  CA  LEU B 744       0.575  -6.105  22.313  1.00 97.74           C  
+ATOM   4300  C   LEU B 744      -0.320  -5.431  23.348  1.00 97.74           C  
+ATOM   4301  CB  LEU B 744       1.926  -5.389  22.245  1.00 97.74           C  
+ATOM   4302  O   LEU B 744      -1.168  -4.607  22.998  1.00 97.74           O  
+ATOM   4303  CG  LEU B 744       1.891  -3.910  21.860  1.00 97.74           C  
+ATOM   4304  CD1 LEU B 744       1.513  -3.057  23.066  1.00 97.74           C  
+ATOM   4305  CD2 LEU B 744       3.236  -3.473  21.290  1.00 97.74           C  
+ATOM   4306  N   SER B 745      -0.227  -5.836  24.657  1.00 98.17           N  
+ATOM   4307  CA  SER B 745      -0.956  -5.244  25.774  1.00 98.17           C  
+ATOM   4308  C   SER B 745      -0.069  -5.119  27.009  1.00 98.17           C  
+ATOM   4309  CB  SER B 745      -2.194  -6.077  26.108  1.00 98.17           C  
+ATOM   4310  O   SER B 745       0.662  -6.050  27.351  1.00 98.17           O  
+ATOM   4311  OG  SER B 745      -2.919  -5.495  27.178  1.00 98.17           O  
+ATOM   4312  N   LEU B 746      -0.143  -3.930  27.620  1.00 97.69           N  
+ATOM   4313  CA  LEU B 746       0.647  -3.681  28.821  1.00 97.69           C  
+ATOM   4314  C   LEU B 746      -0.086  -4.173  30.065  1.00 97.69           C  
+ATOM   4315  CB  LEU B 746       0.961  -2.189  28.957  1.00 97.69           C  
+ATOM   4316  O   LEU B 746      -1.309  -4.049  30.160  1.00 97.69           O  
+ATOM   4317  CG  LEU B 746       1.855  -1.584  27.874  1.00 97.69           C  
+ATOM   4318  CD1 LEU B 746       1.931  -0.069  28.034  1.00 97.69           C  
+ATOM   4319  CD2 LEU B 746       3.249  -2.201  27.923  1.00 97.69           C  
+ATOM   4320  N   ALA B 747       0.682  -4.720  30.973  1.00 96.73           N  
+ATOM   4321  CA  ALA B 747       0.130  -5.000  32.296  1.00 96.73           C  
+ATOM   4322  C   ALA B 747      -0.208  -3.709  33.035  1.00 96.73           C  
+ATOM   4323  CB  ALA B 747       1.110  -5.837  33.115  1.00 96.73           C  
+ATOM   4324  O   ALA B 747       0.394  -2.663  32.777  1.00 96.73           O  
+ATOM   4325  N   PRO B 748      -1.151  -3.739  33.977  1.00 94.42           N  
+ATOM   4326  CA  PRO B 748      -1.540  -2.531  34.707  1.00 94.42           C  
+ATOM   4327  C   PRO B 748      -0.356  -1.842  35.382  1.00 94.42           C  
+ATOM   4328  CB  PRO B 748      -2.534  -3.052  35.749  1.00 94.42           C  
+ATOM   4329  O   PRO B 748      -0.291  -0.610  35.416  1.00 94.42           O  
+ATOM   4330  CG  PRO B 748      -3.165  -4.247  35.109  1.00 94.42           C  
+ATOM   4331  CD  PRO B 748      -2.121  -4.964  34.303  1.00 94.42           C  
+ATOM   4332  N   ASP B 749       0.617  -2.576  35.795  1.00 93.13           N  
+ATOM   4333  CA  ASP B 749       1.774  -1.987  36.461  1.00 93.13           C  
+ATOM   4334  C   ASP B 749       2.838  -1.572  35.447  1.00 93.13           C  
+ATOM   4335  CB  ASP B 749       2.367  -2.967  37.474  1.00 93.13           C  
+ATOM   4336  O   ASP B 749       3.884  -1.036  35.821  1.00 93.13           O  
+ATOM   4337  CG  ASP B 749       2.824  -4.270  36.842  1.00 93.13           C  
+ATOM   4338  OD1 ASP B 749       2.757  -4.402  35.601  1.00 93.13           O  
+ATOM   4339  OD2 ASP B 749       3.252  -5.174  37.591  1.00 93.13           O  
+ATOM   4340  N   THR B 750       2.704  -1.946  34.181  1.00 94.56           N  
+ATOM   4341  CA  THR B 750       3.488  -1.522  33.026  1.00 94.56           C  
+ATOM   4342  C   THR B 750       4.892  -2.118  33.077  1.00 94.56           C  
+ATOM   4343  CB  THR B 750       3.582   0.013  32.948  1.00 94.56           C  
+ATOM   4344  O   THR B 750       5.788  -1.672  32.357  1.00 94.56           O  
+ATOM   4345  CG2 THR B 750       2.198   0.644  32.829  1.00 94.56           C  
+ATOM   4346  OG1 THR B 750       4.219   0.508  34.133  1.00 94.56           O  
+ATOM   4347  N   ARG B 751       5.079  -3.070  33.949  1.00 93.03           N  
+ATOM   4348  CA  ARG B 751       6.370  -3.744  34.035  1.00 93.03           C  
+ATOM   4349  C   ARG B 751       6.447  -4.908  33.053  1.00 93.03           C  
+ATOM   4350  CB  ARG B 751       6.623  -4.243  35.459  1.00 93.03           C  
+ATOM   4351  O   ARG B 751       7.533  -5.272  32.596  1.00 93.03           O  
+ATOM   4352  CG  ARG B 751       6.836  -3.130  36.473  1.00 93.03           C  
+ATOM   4353  CD  ARG B 751       7.155  -3.680  37.856  1.00 93.03           C  
+ATOM   4354  NE  ARG B 751       7.264  -2.615  38.848  1.00 93.03           N  
+ATOM   4355  NH1 ARG B 751       7.857  -4.013  40.588  1.00 93.03           N  
+ATOM   4356  NH2 ARG B 751       7.666  -1.756  40.940  1.00 93.03           N  
+ATOM   4357  CZ  ARG B 751       7.596  -2.797  40.123  1.00 93.03           C  
+ATOM   4358  N   LEU B 752       5.292  -5.430  32.849  1.00 96.30           N  
+ATOM   4359  CA  LEU B 752       5.161  -6.554  31.928  1.00 96.30           C  
+ATOM   4360  C   LEU B 752       4.301  -6.175  30.727  1.00 96.30           C  
+ATOM   4361  CB  LEU B 752       4.556  -7.765  32.643  1.00 96.30           C  
+ATOM   4362  O   LEU B 752       3.489  -5.250  30.807  1.00 96.30           O  
+ATOM   4363  CG  LEU B 752       5.313  -8.277  33.869  1.00 96.30           C  
+ATOM   4364  CD1 LEU B 752       4.506  -9.360  34.576  1.00 96.30           C  
+ATOM   4365  CD2 LEU B 752       6.687  -8.802  33.468  1.00 96.30           C  
+ATOM   4366  N   PHE B 753       4.542  -6.884  29.662  1.00 98.08           N  
+ATOM   4367  CA  PHE B 753       3.591  -6.831  28.558  1.00 98.08           C  
+ATOM   4368  C   PHE B 753       3.516  -8.175  27.843  1.00 98.08           C  
+ATOM   4369  CB  PHE B 753       3.978  -5.730  27.566  1.00 98.08           C  
+ATOM   4370  O   PHE B 753       4.408  -9.014  27.991  1.00 98.08           O  
+ATOM   4371  CG  PHE B 753       5.174  -6.070  26.718  1.00 98.08           C  
+ATOM   4372  CD1 PHE B 753       6.463  -5.845  27.187  1.00 98.08           C  
+ATOM   4373  CD2 PHE B 753       5.010  -6.614  25.451  1.00 98.08           C  
+ATOM   4374  CE1 PHE B 753       7.572  -6.159  26.405  1.00 98.08           C  
+ATOM   4375  CE2 PHE B 753       6.113  -6.930  24.663  1.00 98.08           C  
+ATOM   4376  CZ  PHE B 753       7.393  -6.701  25.141  1.00 98.08           C  
+ATOM   4377  N   VAL B 754       2.344  -8.300  27.163  1.00 98.50           N  
+ATOM   4378  CA  VAL B 754       2.143  -9.528  26.401  1.00 98.50           C  
+ATOM   4379  C   VAL B 754       1.978  -9.195  24.920  1.00 98.50           C  
+ATOM   4380  CB  VAL B 754       0.917 -10.318  26.910  1.00 98.50           C  
+ATOM   4381  O   VAL B 754       1.452  -8.137  24.570  1.00 98.50           O  
+ATOM   4382  CG1 VAL B 754       1.155 -10.829  28.329  1.00 98.50           C  
+ATOM   4383  CG2 VAL B 754      -0.338  -9.448  26.855  1.00 98.50           C  
+ATOM   4384  N   SER B 755       2.532 -10.120  24.089  1.00 98.59           N  
+ATOM   4385  CA  SER B 755       2.393  -9.956  22.646  1.00 98.59           C  
+ATOM   4386  C   SER B 755       1.795 -11.203  22.003  1.00 98.59           C  
+ATOM   4387  CB  SER B 755       3.748  -9.644  22.009  1.00 98.59           C  
+ATOM   4388  O   SER B 755       2.008 -12.318  22.483  1.00 98.59           O  
+ATOM   4389  OG  SER B 755       4.645 -10.729  22.178  1.00 98.59           O  
+ATOM   4390  N   GLY B 756       0.953 -10.960  20.971  1.00 98.45           N  
+ATOM   4391  CA  GLY B 756       0.402 -12.019  20.140  1.00 98.45           C  
+ATOM   4392  C   GLY B 756       0.886 -11.963  18.703  1.00 98.45           C  
+ATOM   4393  O   GLY B 756       1.035 -10.879  18.135  1.00 98.45           O  
+ATOM   4394  N   ALA B 757       1.013 -13.179  18.078  1.00 98.30           N  
+ATOM   4395  CA  ALA B 757       1.675 -13.155  16.776  1.00 98.30           C  
+ATOM   4396  C   ALA B 757       1.058 -14.179  15.828  1.00 98.30           C  
+ATOM   4397  CB  ALA B 757       3.171 -13.415  16.934  1.00 98.30           C  
+ATOM   4398  O   ALA B 757       0.136 -14.907  16.205  1.00 98.30           O  
+ATOM   4399  N   CYS B 758       1.526 -14.194  14.559  1.00 96.73           N  
+ATOM   4400  CA  CYS B 758       1.059 -15.078  13.497  1.00 96.73           C  
+ATOM   4401  C   CYS B 758       1.638 -16.478  13.659  1.00 96.73           C  
+ATOM   4402  CB  CYS B 758       1.436 -14.516  12.127  1.00 96.73           C  
+ATOM   4403  O   CYS B 758       1.319 -17.380  12.883  1.00 96.73           O  
+ATOM   4404  SG  CYS B 758       0.524 -13.023  11.676  1.00 96.73           S  
+ATOM   4405  N   ASP B 759       2.365 -16.672  14.650  1.00 94.80           N  
+ATOM   4406  CA  ASP B 759       2.874 -18.004  14.962  1.00 94.80           C  
+ATOM   4407  C   ASP B 759       1.958 -18.724  15.950  1.00 94.80           C  
+ATOM   4408  CB  ASP B 759       4.293 -17.917  15.529  1.00 94.80           C  
+ATOM   4409  O   ASP B 759       2.353 -19.722  16.556  1.00 94.80           O  
+ATOM   4410  CG  ASP B 759       4.372 -17.101  16.807  1.00 94.80           C  
+ATOM   4411  OD1 ASP B 759       3.316 -16.779  17.391  1.00 94.80           O  
+ATOM   4412  OD2 ASP B 759       5.502 -16.775  17.231  1.00 94.80           O  
+ATOM   4413  N   ALA B 760       0.824 -18.164  16.197  1.00 96.21           N  
+ATOM   4414  CA  ALA B 760      -0.269 -18.710  16.998  1.00 96.21           C  
+ATOM   4415  C   ALA B 760       0.112 -18.776  18.474  1.00 96.21           C  
+ATOM   4416  CB  ALA B 760      -0.661 -20.095  16.490  1.00 96.21           C  
+ATOM   4417  O   ALA B 760      -0.407 -19.611  19.219  1.00 96.21           O  
+ATOM   4418  N   SER B 761       1.122 -17.963  18.862  1.00 97.17           N  
+ATOM   4419  CA  SER B 761       1.539 -17.957  20.260  1.00 97.17           C  
+ATOM   4420  C   SER B 761       1.445 -16.558  20.860  1.00 97.17           C  
+ATOM   4421  CB  SER B 761       2.968 -18.484  20.396  1.00 97.17           C  
+ATOM   4422  O   SER B 761       1.484 -15.562  20.134  1.00 97.17           O  
+ATOM   4423  OG  SER B 761       3.895 -17.576  19.825  1.00 97.17           O  
+ATOM   4424  N   ALA B 762       1.178 -16.530  22.187  1.00 98.29           N  
+ATOM   4425  CA  ALA B 762       1.296 -15.319  22.996  1.00 98.29           C  
+ATOM   4426  C   ALA B 762       2.513 -15.389  23.914  1.00 98.29           C  
+ATOM   4427  CB  ALA B 762       0.026 -15.100  23.815  1.00 98.29           C  
+ATOM   4428  O   ALA B 762       2.775 -16.425  24.529  1.00 98.29           O  
+ATOM   4429  N   LYS B 763       3.224 -14.266  23.957  1.00 98.22           N  
+ATOM   4430  CA  LYS B 763       4.440 -14.279  24.765  1.00 98.22           C  
+ATOM   4431  C   LYS B 763       4.424 -13.158  25.801  1.00 98.22           C  
+ATOM   4432  CB  LYS B 763       5.677 -14.152  23.875  1.00 98.22           C  
+ATOM   4433  O   LYS B 763       3.983 -12.044  25.510  1.00 98.22           O  
+ATOM   4434  CG  LYS B 763       5.957 -15.382  23.024  1.00 98.22           C  
+ATOM   4435  CD  LYS B 763       7.187 -15.187  22.147  1.00 98.22           C  
+ATOM   4436  CE  LYS B 763       7.446 -16.403  21.268  1.00 98.22           C  
+ATOM   4437  NZ  LYS B 763       7.844 -17.596  22.074  1.00 98.22           N  
+ATOM   4438  N   LEU B 764       4.891 -13.502  27.006  1.00 98.08           N  
+ATOM   4439  CA  LEU B 764       4.999 -12.573  28.126  1.00 98.08           C  
+ATOM   4440  C   LEU B 764       6.420 -12.034  28.250  1.00 98.08           C  
+ATOM   4441  CB  LEU B 764       4.584 -13.256  29.432  1.00 98.08           C  
+ATOM   4442  O   LEU B 764       7.383 -12.803  28.245  1.00 98.08           O  
+ATOM   4443  CG  LEU B 764       4.633 -12.393  30.694  1.00 98.08           C  
+ATOM   4444  CD1 LEU B 764       3.520 -11.352  30.667  1.00 98.08           C  
+ATOM   4445  CD2 LEU B 764       4.529 -13.264  31.941  1.00 98.08           C  
+ATOM   4446  N   TRP B 765       6.484 -10.705  28.400  1.00 97.73           N  
+ATOM   4447  CA  TRP B 765       7.785 -10.046  28.424  1.00 97.73           C  
+ATOM   4448  C   TRP B 765       7.921  -9.153  29.652  1.00 97.73           C  
+ATOM   4449  CB  TRP B 765       7.992  -9.219  27.151  1.00 97.73           C  
+ATOM   4450  O   TRP B 765       6.935  -8.583  30.126  1.00 97.73           O  
+ATOM   4451  CG  TRP B 765       7.578  -9.923  25.894  1.00 97.73           C  
+ATOM   4452  CD1 TRP B 765       6.328  -9.954  25.341  1.00 97.73           C  
+ATOM   4453  CD2 TRP B 765       8.416 -10.702  25.035  1.00 97.73           C  
+ATOM   4454  CE2 TRP B 765       7.607 -11.176  23.979  1.00 97.73           C  
+ATOM   4455  CE3 TRP B 765       9.775 -11.046  25.057  1.00 97.73           C  
+ATOM   4456  NE1 TRP B 765       6.339 -10.706  24.188  1.00 97.73           N  
+ATOM   4457  CH2 TRP B 765       9.446 -12.298  22.997  1.00 97.73           C  
+ATOM   4458  CZ2 TRP B 765       8.114 -11.977  22.952  1.00 97.73           C  
+ATOM   4459  CZ3 TRP B 765      10.277 -11.842  24.034  1.00 97.73           C  
+ATOM   4460  N   ASP B 766       9.121  -9.122  30.128  1.00 95.28           N  
+ATOM   4461  CA  ASP B 766       9.503  -8.085  31.080  1.00 95.28           C  
+ATOM   4462  C   ASP B 766      10.210  -6.928  30.378  1.00 95.28           C  
+ATOM   4463  CB  ASP B 766      10.401  -8.665  32.174  1.00 95.28           C  
+ATOM   4464  O   ASP B 766      11.231  -7.128  29.716  1.00 95.28           O  
+ATOM   4465  CG  ASP B 766      10.606  -7.713  33.340  1.00 95.28           C  
+ATOM   4466  OD1 ASP B 766      10.739  -6.491  33.114  1.00 95.28           O  
+ATOM   4467  OD2 ASP B 766      10.639  -8.191  34.495  1.00 95.28           O  
+ATOM   4468  N   VAL B 767       9.733  -5.712  30.619  1.00 93.87           N  
+ATOM   4469  CA  VAL B 767      10.204  -4.557  29.861  1.00 93.87           C  
+ATOM   4470  C   VAL B 767      11.673  -4.292  30.182  1.00 93.87           C  
+ATOM   4471  CB  VAL B 767       9.358  -3.299  30.159  1.00 93.87           C  
+ATOM   4472  O   VAL B 767      12.414  -3.774  29.343  1.00 93.87           O  
+ATOM   4473  CG1 VAL B 767       9.924  -2.082  29.429  1.00 93.87           C  
+ATOM   4474  CG2 VAL B 767       7.900  -3.532  29.767  1.00 93.87           C  
+ATOM   4475  N   ARG B 768      12.221  -4.800  31.243  1.00 90.77           N  
+ATOM   4476  CA  ARG B 768      13.572  -4.507  31.710  1.00 90.77           C  
+ATOM   4477  C   ARG B 768      14.560  -5.562  31.225  1.00 90.77           C  
+ATOM   4478  CB  ARG B 768      13.606  -4.420  33.237  1.00 90.77           C  
+ATOM   4479  O   ARG B 768      15.744  -5.273  31.042  1.00 90.77           O  
+ATOM   4480  CG  ARG B 768      12.713  -3.332  33.813  1.00 90.77           C  
+ATOM   4481  CD  ARG B 768      12.609  -3.431  35.328  1.00 90.77           C  
+ATOM   4482  NE  ARG B 768      11.918  -4.648  35.743  1.00 90.77           N  
+ATOM   4483  NH1 ARG B 768      12.039  -4.193  38.005  1.00 90.77           N  
+ATOM   4484  NH2 ARG B 768      11.028  -6.114  37.270  1.00 90.77           N  
+ATOM   4485  CZ  ARG B 768      11.663  -4.982  37.005  1.00 90.77           C  
+ATOM   4486  N   GLU B 769      14.075  -6.770  31.009  1.00 87.94           N  
+ATOM   4487  CA  GLU B 769      14.979  -7.905  30.846  1.00 87.94           C  
+ATOM   4488  C   GLU B 769      15.183  -8.241  29.372  1.00 87.94           C  
+ATOM   4489  CB  GLU B 769      14.445  -9.129  31.595  1.00 87.94           C  
+ATOM   4490  O   GLU B 769      16.227  -8.773  28.990  1.00 87.94           O  
+ATOM   4491  CG  GLU B 769      14.402  -8.954  33.107  1.00 87.94           C  
+ATOM   4492  CD  GLU B 769      13.949 -10.205  33.843  1.00 87.94           C  
+ATOM   4493  OE1 GLU B 769      13.893 -10.186  35.093  1.00 87.94           O  
+ATOM   4494  OE2 GLU B 769      13.650 -11.212  33.163  1.00 87.94           O  
+ATOM   4495  N   GLY B 770      14.335  -7.917  28.502  1.00 83.27           N  
+ATOM   4496  CA  GLY B 770      14.439  -8.090  27.062  1.00 83.27           C  
+ATOM   4497  C   GLY B 770      14.257  -9.530  26.619  1.00 83.27           C  
+ATOM   4498  O   GLY B 770      14.475  -9.857  25.451  1.00 83.27           O  
+ATOM   4499  N   MET B 771      13.994 -10.470  27.614  1.00 85.22           N  
+ATOM   4500  CA  MET B 771      13.780 -11.864  27.236  1.00 85.22           C  
+ATOM   4501  C   MET B 771      12.346 -12.293  27.527  1.00 85.22           C  
+ATOM   4502  CB  MET B 771      14.759 -12.778  27.974  1.00 85.22           C  
+ATOM   4503  O   MET B 771      11.708 -11.764  28.440  1.00 85.22           O  
+ATOM   4504  CG  MET B 771      16.217 -12.516  27.634  1.00 85.22           C  
+ATOM   4505  SD  MET B 771      17.343 -13.780  28.343  1.00 85.22           S  
+ATOM   4506  CE  MET B 771      18.934 -13.188  27.702  1.00 85.22           C  
+ATOM   4507  N   CYS B 772      12.017 -13.310  26.666  1.00 93.69           N  
+ATOM   4508  CA  CYS B 772      10.680 -13.864  26.850  1.00 93.69           C  
+ATOM   4509  C   CYS B 772      10.603 -14.686  28.131  1.00 93.69           C  
+ATOM   4510  CB  CYS B 772      10.289 -14.729  25.653  1.00 93.69           C  
+ATOM   4511  O   CYS B 772      11.402 -15.602  28.335  1.00 93.69           O  
+ATOM   4512  SG  CYS B 772       8.664 -15.502  25.813  1.00 93.69           S  
+ATOM   4513  N   ARG B 773       9.506 -14.358  29.013  1.00 94.60           N  
+ATOM   4514  CA  ARG B 773       9.355 -15.027  30.302  1.00 94.60           C  
+ATOM   4515  C   ARG B 773       8.509 -16.289  30.167  1.00 94.60           C  
+ATOM   4516  CB  ARG B 773       8.726 -14.082  31.328  1.00 94.60           C  
+ATOM   4517  O   ARG B 773       8.812 -17.314  30.782  1.00 94.60           O  
+ATOM   4518  CG  ARG B 773       9.618 -12.914  31.717  1.00 94.60           C  
+ATOM   4519  CD  ARG B 773      10.694 -13.333  32.709  1.00 94.60           C  
+ATOM   4520  NE  ARG B 773      11.435 -12.182  33.218  1.00 94.60           N  
+ATOM   4521  NH1 ARG B 773      12.455 -13.339  34.939  1.00 94.60           N  
+ATOM   4522  NH2 ARG B 773      12.878 -11.105  34.644  1.00 94.60           N  
+ATOM   4523  CZ  ARG B 773      12.254 -12.211  34.266  1.00 94.60           C  
+ATOM   4524  N   GLN B 774       7.461 -16.137  29.457  1.00 94.93           N  
+ATOM   4525  CA  GLN B 774       6.548 -17.258  29.260  1.00 94.93           C  
+ATOM   4526  C   GLN B 774       5.975 -17.259  27.846  1.00 94.93           C  
+ATOM   4527  CB  GLN B 774       5.414 -17.213  30.286  1.00 94.93           C  
+ATOM   4528  O   GLN B 774       5.816 -16.201  27.234  1.00 94.93           O  
+ATOM   4529  CG  GLN B 774       5.877 -17.399  31.724  1.00 94.93           C  
+ATOM   4530  CD  GLN B 774       4.733 -17.358  32.720  1.00 94.93           C  
+ATOM   4531  NE2 GLN B 774       5.064 -17.211  33.998  1.00 94.93           N  
+ATOM   4532  OE1 GLN B 774       3.561 -17.456  32.343  1.00 94.93           O  
+ATOM   4533  N   THR B 775       5.732 -18.539  27.335  1.00 95.49           N  
+ATOM   4534  CA  THR B 775       5.083 -18.714  26.040  1.00 95.49           C  
+ATOM   4535  C   THR B 775       3.781 -19.496  26.190  1.00 95.49           C  
+ATOM   4536  CB  THR B 775       6.008 -19.437  25.044  1.00 95.49           C  
+ATOM   4537  O   THR B 775       3.762 -20.570  26.796  1.00 95.49           O  
+ATOM   4538  CG2 THR B 775       5.329 -19.612  23.690  1.00 95.49           C  
+ATOM   4539  OG1 THR B 775       7.206 -18.670  24.870  1.00 95.49           O  
+ATOM   4540  N   PHE B 776       2.713 -18.835  25.642  1.00 96.28           N  
+ATOM   4541  CA  PHE B 776       1.396 -19.457  25.719  1.00 96.28           C  
+ATOM   4542  C   PHE B 776       0.915 -19.877  24.335  1.00 96.28           C  
+ATOM   4543  CB  PHE B 776       0.385 -18.500  26.358  1.00 96.28           C  
+ATOM   4544  O   PHE B 776       0.925 -19.075  23.399  1.00 96.28           O  
+ATOM   4545  CG  PHE B 776       0.760 -18.060  27.748  1.00 96.28           C  
+ATOM   4546  CD1 PHE B 776       0.342 -18.785  28.857  1.00 96.28           C  
+ATOM   4547  CD2 PHE B 776       1.530 -16.922  27.945  1.00 96.28           C  
+ATOM   4548  CE1 PHE B 776       0.688 -18.381  30.145  1.00 96.28           C  
+ATOM   4549  CE2 PHE B 776       1.880 -16.512  29.228  1.00 96.28           C  
+ATOM   4550  CZ  PHE B 776       1.456 -17.242  30.327  1.00 96.28           C  
+ATOM   4551  N   THR B 777       0.487 -21.198  24.255  1.00 94.18           N  
+ATOM   4552  CA  THR B 777      -0.004 -21.751  22.998  1.00 94.18           C  
+ATOM   4553  C   THR B 777      -1.423 -22.288  23.162  1.00 94.18           C  
+ATOM   4554  CB  THR B 777       0.917 -22.873  22.484  1.00 94.18           C  
+ATOM   4555  O   THR B 777      -1.904 -22.452  24.285  1.00 94.18           O  
+ATOM   4556  CG2 THR B 777       2.334 -22.359  22.252  1.00 94.18           C  
+ATOM   4557  OG1 THR B 777       0.957 -23.931  23.450  1.00 94.18           O  
+ATOM   4558  N   GLY B 778      -2.168 -22.429  22.067  1.00 91.71           N  
+ATOM   4559  CA  GLY B 778      -3.521 -22.960  22.118  1.00 91.71           C  
+ATOM   4560  C   GLY B 778      -4.329 -22.658  20.870  1.00 91.71           C  
+ATOM   4561  O   GLY B 778      -5.108 -23.495  20.411  1.00 91.71           O  
+ATOM   4562  N   HIS B 779      -4.074 -21.629  20.282  1.00 96.77           N  
+ATOM   4563  CA  HIS B 779      -4.795 -21.264  19.068  1.00 96.77           C  
+ATOM   4564  C   HIS B 779      -4.307 -22.076  17.872  1.00 96.77           C  
+ATOM   4565  CB  HIS B 779      -4.643 -19.769  18.784  1.00 96.77           C  
+ATOM   4566  O   HIS B 779      -3.165 -22.540  17.856  1.00 96.77           O  
+ATOM   4567  CG  HIS B 779      -5.518 -18.905  19.635  1.00 96.77           C  
+ATOM   4568  CD2 HIS B 779      -5.210 -18.001  20.595  1.00 96.77           C  
+ATOM   4569  ND1 HIS B 779      -6.893 -18.920  19.545  1.00 96.77           N  
+ATOM   4570  CE1 HIS B 779      -7.395 -18.060  20.416  1.00 96.77           C  
+ATOM   4571  NE2 HIS B 779      -6.395 -17.489  21.066  1.00 96.77           N  
+ATOM   4572  N   GLU B 780      -5.157 -22.220  16.835  1.00 94.02           N  
+ATOM   4573  CA  GLU B 780      -4.835 -22.967  15.623  1.00 94.02           C  
+ATOM   4574  C   GLU B 780      -4.456 -22.029  14.480  1.00 94.02           C  
+ATOM   4575  CB  GLU B 780      -6.013 -23.853  15.208  1.00 94.02           C  
+ATOM   4576  O   GLU B 780      -4.109 -22.482  13.387  1.00 94.02           O  
+ATOM   4577  CG  GLU B 780      -6.353 -24.939  16.218  1.00 94.02           C  
+ATOM   4578  CD  GLU B 780      -7.522 -25.811  15.792  1.00 94.02           C  
+ATOM   4579  OE1 GLU B 780      -7.823 -26.807  16.489  1.00 94.02           O  
+ATOM   4580  OE2 GLU B 780      -8.142 -25.497  14.751  1.00 94.02           O  
+ATOM   4581  N   SER B 781      -4.699 -20.766  14.719  1.00 95.02           N  
+ATOM   4582  CA  SER B 781      -4.406 -19.747  13.717  1.00 95.02           C  
+ATOM   4583  C   SER B 781      -3.778 -18.511  14.352  1.00 95.02           C  
+ATOM   4584  CB  SER B 781      -5.677 -19.354  12.963  1.00 95.02           C  
+ATOM   4585  O   SER B 781      -3.343 -18.553  15.505  1.00 95.02           O  
+ATOM   4586  OG  SER B 781      -5.363 -18.583  11.816  1.00 95.02           O  
+ATOM   4587  N   ASP B 782      -3.594 -17.398  13.573  1.00 96.62           N  
+ATOM   4588  CA  ASP B 782      -2.927 -16.167  13.985  1.00 96.62           C  
+ATOM   4589  C   ASP B 782      -3.658 -15.512  15.155  1.00 96.62           C  
+ATOM   4590  CB  ASP B 782      -2.831 -15.190  12.811  1.00 96.62           C  
+ATOM   4591  O   ASP B 782      -4.890 -15.484  15.187  1.00 96.62           O  
+ATOM   4592  CG  ASP B 782      -2.026 -15.739  11.646  1.00 96.62           C  
+ATOM   4593  OD1 ASP B 782      -1.396 -16.809  11.791  1.00 96.62           O  
+ATOM   4594  OD2 ASP B 782      -2.021 -15.096  10.575  1.00 96.62           O  
+ATOM   4595  N   ILE B 783      -2.875 -15.030  16.086  1.00 98.44           N  
+ATOM   4596  CA  ILE B 783      -3.422 -14.216  17.166  1.00 98.44           C  
+ATOM   4597  C   ILE B 783      -3.445 -12.748  16.745  1.00 98.44           C  
+ATOM   4598  CB  ILE B 783      -2.611 -14.387  18.470  1.00 98.44           C  
+ATOM   4599  O   ILE B 783      -2.394 -12.142  16.528  1.00 98.44           O  
+ATOM   4600  CG1 ILE B 783      -2.668 -15.843  18.946  1.00 98.44           C  
+ATOM   4601  CG2 ILE B 783      -3.125 -13.436  19.554  1.00 98.44           C  
+ATOM   4602  CD1 ILE B 783      -1.824 -16.123  20.182  1.00 98.44           C  
+ATOM   4603  N   ASN B 784      -4.650 -12.174  16.704  1.00 97.41           N  
+ATOM   4604  CA  ASN B 784      -4.821 -10.828  16.168  1.00 97.41           C  
+ATOM   4605  C   ASN B 784      -4.921  -9.790  17.281  1.00 97.41           C  
+ATOM   4606  CB  ASN B 784      -6.057 -10.762  15.267  1.00 97.41           C  
+ATOM   4607  O   ASN B 784      -4.667  -8.605  17.055  1.00 97.41           O  
+ATOM   4608  CG  ASN B 784      -5.934 -11.646  14.042  1.00 97.41           C  
+ATOM   4609  ND2 ASN B 784      -7.002 -12.367  13.721  1.00 97.41           N  
+ATOM   4610  OD1 ASN B 784      -4.888 -11.680  13.388  1.00 97.41           O  
+ATOM   4611  N   ALA B 785      -5.416 -10.184  18.432  1.00 97.81           N  
+ATOM   4612  CA  ALA B 785      -5.682  -9.228  19.503  1.00 97.81           C  
+ATOM   4613  C   ALA B 785      -5.373  -9.835  20.869  1.00 97.81           C  
+ATOM   4614  CB  ALA B 785      -7.133  -8.757  19.449  1.00 97.81           C  
+ATOM   4615  O   ALA B 785      -5.594 -11.028  21.089  1.00 97.81           O  
+ATOM   4616  N   ILE B 786      -4.850  -8.957  21.695  1.00 98.36           N  
+ATOM   4617  CA  ILE B 786      -4.507  -9.394  23.044  1.00 98.36           C  
+ATOM   4618  C   ILE B 786      -4.843  -8.290  24.044  1.00 98.36           C  
+ATOM   4619  CB  ILE B 786      -3.014  -9.778  23.151  1.00 98.36           C  
+ATOM   4620  O   ILE B 786      -4.738  -7.103  23.728  1.00 98.36           O  
+ATOM   4621  CG1 ILE B 786      -2.767 -10.614  24.412  1.00 98.36           C  
+ATOM   4622  CG2 ILE B 786      -2.132  -8.525  23.142  1.00 98.36           C  
+ATOM   4623  CD1 ILE B 786      -1.450 -11.378  24.399  1.00 98.36           C  
+ATOM   4624  N   CYS B 787      -5.283  -8.729  25.277  1.00 98.16           N  
+ATOM   4625  CA  CYS B 787      -5.592  -7.746  26.309  1.00 98.16           C  
+ATOM   4626  C   CYS B 787      -5.363  -8.324  27.700  1.00 98.16           C  
+ATOM   4627  CB  CYS B 787      -7.037  -7.267  26.177  1.00 98.16           C  
+ATOM   4628  O   CYS B 787      -5.840  -9.417  28.009  1.00 98.16           O  
+ATOM   4629  SG  CYS B 787      -7.510  -6.033  27.409  1.00 98.16           S  
+ATOM   4630  N   PHE B 788      -4.655  -7.548  28.469  1.00 98.08           N  
+ATOM   4631  CA  PHE B 788      -4.440  -7.954  29.853  1.00 98.08           C  
+ATOM   4632  C   PHE B 788      -5.741  -7.894  30.643  1.00 98.08           C  
+ATOM   4633  CB  PHE B 788      -3.381  -7.067  30.516  1.00 98.08           C  
+ATOM   4634  O   PHE B 788      -6.571  -7.011  30.416  1.00 98.08           O  
+ATOM   4635  CG  PHE B 788      -2.016  -7.698  30.584  1.00 98.08           C  
+ATOM   4636  CD1 PHE B 788      -1.723  -8.652  31.550  1.00 98.08           C  
+ATOM   4637  CD2 PHE B 788      -1.026  -7.337  29.679  1.00 98.08           C  
+ATOM   4638  CE1 PHE B 788      -0.461  -9.237  31.615  1.00 98.08           C  
+ATOM   4639  CE2 PHE B 788       0.237  -7.917  29.738  1.00 98.08           C  
+ATOM   4640  CZ  PHE B 788       0.518  -8.867  30.707  1.00 98.08           C  
+ATOM   4641  N   PHE B 789      -5.820  -8.865  31.514  1.00 97.85           N  
+ATOM   4642  CA  PHE B 789      -6.888  -8.830  32.507  1.00 97.85           C  
+ATOM   4643  C   PHE B 789      -6.666  -7.698  33.502  1.00 97.85           C  
+ATOM   4644  CB  PHE B 789      -6.980 -10.169  33.246  1.00 97.85           C  
+ATOM   4645  O   PHE B 789      -5.524  -7.349  33.809  1.00 97.85           O  
+ATOM   4646  CG  PHE B 789      -8.275 -10.365  33.988  1.00 97.85           C  
+ATOM   4647  CD1 PHE B 789      -8.337 -10.188  35.365  1.00 97.85           C  
+ATOM   4648  CD2 PHE B 789      -9.430 -10.727  33.307  1.00 97.85           C  
+ATOM   4649  CE1 PHE B 789      -9.534 -10.369  36.053  1.00 97.85           C  
+ATOM   4650  CE2 PHE B 789     -10.630 -10.909  33.989  1.00 97.85           C  
+ATOM   4651  CZ  PHE B 789     -10.680 -10.731  35.362  1.00 97.85           C  
+ATOM   4652  N   PRO B 790      -7.758  -7.071  34.028  1.00 96.46           N  
+ATOM   4653  CA  PRO B 790      -7.649  -5.847  34.825  1.00 96.46           C  
+ATOM   4654  C   PRO B 790      -6.745  -6.015  36.044  1.00 96.46           C  
+ATOM   4655  CB  PRO B 790      -9.094  -5.574  35.251  1.00 96.46           C  
+ATOM   4656  O   PRO B 790      -6.026  -5.084  36.417  1.00 96.46           O  
+ATOM   4657  CG  PRO B 790      -9.929  -6.108  34.133  1.00 96.46           C  
+ATOM   4658  CD  PRO B 790      -9.299  -7.375  33.629  1.00 96.46           C  
+ATOM   4659  N   ASN B 791      -6.642  -7.188  36.603  1.00 94.88           N  
+ATOM   4660  CA  ASN B 791      -5.836  -7.347  37.809  1.00 94.88           C  
+ATOM   4661  C   ASN B 791      -4.380  -7.658  37.473  1.00 94.88           C  
+ATOM   4662  CB  ASN B 791      -6.420  -8.441  38.704  1.00 94.88           C  
+ATOM   4663  O   ASN B 791      -3.539  -7.753  38.369  1.00 94.88           O  
+ATOM   4664  CG  ASN B 791      -6.362  -9.814  38.063  1.00 94.88           C  
+ATOM   4665  ND2 ASN B 791      -6.980 -10.796  38.707  1.00 94.88           N  
+ATOM   4666  OD1 ASN B 791      -5.765  -9.989  36.997  1.00 94.88           O  
+ATOM   4667  N   GLY B 792      -4.118  -7.979  36.177  1.00 96.42           N  
+ATOM   4668  CA  GLY B 792      -2.747  -8.134  35.717  1.00 96.42           C  
+ATOM   4669  C   GLY B 792      -2.237  -9.558  35.832  1.00 96.42           C  
+ATOM   4670  O   GLY B 792      -1.068  -9.829  35.552  1.00 96.42           O  
+ATOM   4671  N   ASN B 793      -3.058 -10.439  36.252  1.00 96.54           N  
+ATOM   4672  CA  ASN B 793      -2.610 -11.806  36.494  1.00 96.54           C  
+ATOM   4673  C   ASN B 793      -3.051 -12.747  35.377  1.00 96.54           C  
+ATOM   4674  CB  ASN B 793      -3.124 -12.307  37.846  1.00 96.54           C  
+ATOM   4675  O   ASN B 793      -2.744 -13.940  35.408  1.00 96.54           O  
+ATOM   4676  CG  ASN B 793      -2.479 -11.594  39.017  1.00 96.54           C  
+ATOM   4677  ND2 ASN B 793      -3.214 -11.476  40.117  1.00 96.54           N  
+ATOM   4678  OD1 ASN B 793      -1.331 -11.151  38.934  1.00 96.54           O  
+ATOM   4679  N   ALA B 794      -3.800 -12.276  34.460  1.00 97.74           N  
+ATOM   4680  CA  ALA B 794      -4.298 -13.051  33.326  1.00 97.74           C  
+ATOM   4681  C   ALA B 794      -4.442 -12.176  32.084  1.00 97.74           C  
+ATOM   4682  CB  ALA B 794      -5.636 -13.700  33.673  1.00 97.74           C  
+ATOM   4683  O   ALA B 794      -4.264 -10.957  32.152  1.00 97.74           O  
+ATOM   4684  N   PHE B 795      -4.660 -12.850  30.985  1.00 98.53           N  
+ATOM   4685  CA  PHE B 795      -4.898 -12.102  29.756  1.00 98.53           C  
+ATOM   4686  C   PHE B 795      -5.725 -12.923  28.775  1.00 98.53           C  
+ATOM   4687  CB  PHE B 795      -3.571 -11.692  29.110  1.00 98.53           C  
+ATOM   4688  O   PHE B 795      -5.836 -14.143  28.916  1.00 98.53           O  
+ATOM   4689  CG  PHE B 795      -2.730 -12.856  28.659  1.00 98.53           C  
+ATOM   4690  CD1 PHE B 795      -1.859 -13.485  29.540  1.00 98.53           C  
+ATOM   4691  CD2 PHE B 795      -2.810 -13.321  27.352  1.00 98.53           C  
+ATOM   4692  CE1 PHE B 795      -1.080 -14.563  29.125  1.00 98.53           C  
+ATOM   4693  CE2 PHE B 795      -2.035 -14.397  26.931  1.00 98.53           C  
+ATOM   4694  CZ  PHE B 795      -1.169 -15.016  27.818  1.00 98.53           C  
+ATOM   4695  N   ALA B 796      -6.343 -12.169  27.813  1.00 98.60           N  
+ATOM   4696  CA  ALA B 796      -7.152 -12.839  26.798  1.00 98.60           C  
+ATOM   4697  C   ALA B 796      -6.590 -12.597  25.400  1.00 98.60           C  
+ATOM   4698  CB  ALA B 796      -8.601 -12.366  26.875  1.00 98.60           C  
+ATOM   4699  O   ALA B 796      -5.986 -11.554  25.140  1.00 98.60           O  
+ATOM   4700  N   THR B 797      -6.836 -13.591  24.556  1.00 98.76           N  
+ATOM   4701  CA  THR B 797      -6.408 -13.494  23.165  1.00 98.76           C  
+ATOM   4702  C   THR B 797      -7.580 -13.741  22.220  1.00 98.76           C  
+ATOM   4703  CB  THR B 797      -5.277 -14.493  22.857  1.00 98.76           C  
+ATOM   4704  O   THR B 797      -8.507 -14.482  22.552  1.00 98.76           O  
+ATOM   4705  CG2 THR B 797      -4.064 -14.242  23.747  1.00 98.76           C  
+ATOM   4706  OG1 THR B 797      -5.752 -15.827  23.081  1.00 98.76           O  
+ATOM   4707  N   GLY B 798      -7.525 -13.067  21.101  1.00 98.46           N  
+ATOM   4708  CA  GLY B 798      -8.422 -13.296  19.980  1.00 98.46           C  
+ATOM   4709  C   GLY B 798      -7.701 -13.723  18.715  1.00 98.46           C  
+ATOM   4710  O   GLY B 798      -6.697 -13.119  18.333  1.00 98.46           O  
+ATOM   4711  N   SER B 799      -8.347 -14.682  17.946  1.00 98.32           N  
+ATOM   4712  CA  SER B 799      -7.596 -15.302  16.860  1.00 98.32           C  
+ATOM   4713  C   SER B 799      -8.458 -15.461  15.612  1.00 98.32           C  
+ATOM   4714  CB  SER B 799      -7.054 -16.665  17.292  1.00 98.32           C  
+ATOM   4715  O   SER B 799      -9.684 -15.352  15.680  1.00 98.32           O  
+ATOM   4716  OG  SER B 799      -6.475 -17.348  16.194  1.00 98.32           O  
+ATOM   4717  N   ASP B 800      -7.739 -15.819  14.511  1.00 95.88           N  
+ATOM   4718  CA  ASP B 800      -8.393 -16.105  13.238  1.00 95.88           C  
+ATOM   4719  C   ASP B 800      -9.128 -17.443  13.286  1.00 95.88           C  
+ATOM   4720  CB  ASP B 800      -7.373 -16.106  12.098  1.00 95.88           C  
+ATOM   4721  O   ASP B 800      -9.891 -17.771  12.375  1.00 95.88           O  
+ATOM   4722  CG  ASP B 800      -6.989 -14.708  11.644  1.00 95.88           C  
+ATOM   4723  OD1 ASP B 800      -7.687 -13.736  12.006  1.00 95.88           O  
+ATOM   4724  OD2 ASP B 800      -5.982 -14.578  10.915  1.00 95.88           O  
+ATOM   4725  N   ASP B 801      -8.938 -18.154  14.293  1.00 94.56           N  
+ATOM   4726  CA  ASP B 801      -9.641 -19.427  14.426  1.00 94.56           C  
+ATOM   4727  C   ASP B 801     -11.015 -19.232  15.063  1.00 94.56           C  
+ATOM   4728  CB  ASP B 801      -8.813 -20.413  15.253  1.00 94.56           C  
+ATOM   4729  O   ASP B 801     -11.650 -20.199  15.489  1.00 94.56           O  
+ATOM   4730  CG  ASP B 801      -8.617 -19.964  16.690  1.00 94.56           C  
+ATOM   4731  OD1 ASP B 801      -9.256 -18.977  17.113  1.00 94.56           O  
+ATOM   4732  OD2 ASP B 801      -7.813 -20.600  17.405  1.00 94.56           O  
+ATOM   4733  N   ALA B 802     -11.401 -18.042  15.247  1.00 94.63           N  
+ATOM   4734  CA  ALA B 802     -12.729 -17.606  15.671  1.00 94.63           C  
+ATOM   4735  C   ALA B 802     -12.928 -17.829  17.168  1.00 94.63           C  
+ATOM   4736  CB  ALA B 802     -13.808 -18.339  14.879  1.00 94.63           C  
+ATOM   4737  O   ALA B 802     -14.062 -17.898  17.646  1.00 94.63           O  
+ATOM   4738  N   THR B 803     -11.831 -17.997  17.922  1.00 97.95           N  
+ATOM   4739  CA  THR B 803     -11.956 -18.209  19.360  1.00 97.95           C  
+ATOM   4740  C   THR B 803     -11.181 -17.145  20.133  1.00 97.95           C  
+ATOM   4741  CB  THR B 803     -11.455 -19.608  19.764  1.00 97.95           C  
+ATOM   4742  O   THR B 803     -10.191 -16.607  19.634  1.00 97.95           O  
+ATOM   4743  CG2 THR B 803     -12.203 -20.700  19.007  1.00 97.95           C  
+ATOM   4744  OG1 THR B 803     -10.056 -19.711  19.471  1.00 97.95           O  
+ATOM   4745  N   CYS B 804     -11.812 -16.804  21.345  1.00 98.33           N  
+ATOM   4746  CA  CYS B 804     -11.044 -16.129  22.385  1.00 98.33           C  
+ATOM   4747  C   CYS B 804     -10.538 -17.124  23.423  1.00 98.33           C  
+ATOM   4748  CB  CYS B 804     -11.892 -15.055  23.067  1.00 98.33           C  
+ATOM   4749  O   CYS B 804     -11.214 -18.108  23.727  1.00 98.33           O  
+ATOM   4750  SG  CYS B 804     -12.425 -13.735  21.956  1.00 98.33           S  
+ATOM   4751  N   ARG B 805      -9.353 -16.817  23.919  1.00 98.44           N  
+ATOM   4752  CA  ARG B 805      -8.826 -17.681  24.970  1.00 98.44           C  
+ATOM   4753  C   ARG B 805      -8.327 -16.860  26.155  1.00 98.44           C  
+ATOM   4754  CB  ARG B 805      -7.696 -18.558  24.428  1.00 98.44           C  
+ATOM   4755  O   ARG B 805      -7.758 -15.781  25.974  1.00 98.44           O  
+ATOM   4756  CG  ARG B 805      -8.145 -19.565  23.382  1.00 98.44           C  
+ATOM   4757  CD  ARG B 805      -7.009 -20.485  22.958  1.00 98.44           C  
+ATOM   4758  NE  ARG B 805      -7.441 -21.448  21.950  1.00 98.44           N  
+ATOM   4759  NH1 ARG B 805      -6.048 -23.143  22.671  1.00 98.44           N  
+ATOM   4760  NH2 ARG B 805      -7.439 -23.481  20.881  1.00 98.44           N  
+ATOM   4761  CZ  ARG B 805      -6.975 -22.688  21.836  1.00 98.44           C  
+ATOM   4762  N   LEU B 806      -8.612 -17.405  27.339  1.00 98.39           N  
+ATOM   4763  CA  LEU B 806      -8.178 -16.784  28.586  1.00 98.39           C  
+ATOM   4764  C   LEU B 806      -7.033 -17.571  29.215  1.00 98.39           C  
+ATOM   4765  CB  LEU B 806      -9.345 -16.684  29.571  1.00 98.39           C  
+ATOM   4766  O   LEU B 806      -7.151 -18.778  29.435  1.00 98.39           O  
+ATOM   4767  CG  LEU B 806      -9.044 -16.017  30.914  1.00 98.39           C  
+ATOM   4768  CD1 LEU B 806      -8.649 -14.559  30.704  1.00 98.39           C  
+ATOM   4769  CD2 LEU B 806     -10.247 -16.122  31.845  1.00 98.39           C  
+ATOM   4770  N   PHE B 807      -5.979 -16.822  29.489  1.00 97.54           N  
+ATOM   4771  CA  PHE B 807      -4.789 -17.429  30.074  1.00 97.54           C  
+ATOM   4772  C   PHE B 807      -4.467 -16.798  31.424  1.00 97.54           C  
+ATOM   4773  CB  PHE B 807      -3.591 -17.285  29.129  1.00 97.54           C  
+ATOM   4774  O   PHE B 807      -4.678 -15.600  31.621  1.00 97.54           O  
+ATOM   4775  CG  PHE B 807      -3.791 -17.945  27.792  1.00 97.54           C  
+ATOM   4776  CD1 PHE B 807      -3.434 -19.274  27.597  1.00 97.54           C  
+ATOM   4777  CD2 PHE B 807      -4.335 -17.237  26.729  1.00 97.54           C  
+ATOM   4778  CE1 PHE B 807      -3.618 -19.888  26.361  1.00 97.54           C  
+ATOM   4779  CE2 PHE B 807      -4.521 -17.844  25.490  1.00 97.54           C  
+ATOM   4780  CZ  PHE B 807      -4.161 -19.169  25.308  1.00 97.54           C  
+ATOM   4781  N   ASP B 808      -3.954 -17.628  32.301  1.00 95.39           N  
+ATOM   4782  CA  ASP B 808      -3.514 -17.152  33.609  1.00 95.39           C  
+ATOM   4783  C   ASP B 808      -1.998 -17.269  33.754  1.00 95.39           C  
+ATOM   4784  CB  ASP B 808      -4.211 -17.931  34.726  1.00 95.39           C  
+ATOM   4785  O   ASP B 808      -1.416 -18.306  33.428  1.00 95.39           O  
+ATOM   4786  CG  ASP B 808      -3.936 -17.361  36.107  1.00 95.39           C  
+ATOM   4787  OD1 ASP B 808      -3.016 -17.850  36.797  1.00 95.39           O  
+ATOM   4788  OD2 ASP B 808      -4.649 -16.416  36.509  1.00 95.39           O  
+ATOM   4789  N   LEU B 809      -1.385 -16.180  34.257  1.00 95.54           N  
+ATOM   4790  CA  LEU B 809       0.071 -16.135  34.347  1.00 95.54           C  
+ATOM   4791  C   LEU B 809       0.576 -17.059  35.450  1.00 95.54           C  
+ATOM   4792  CB  LEU B 809       0.548 -14.704  34.605  1.00 95.54           C  
+ATOM   4793  O   LEU B 809       1.618 -17.700  35.300  1.00 95.54           O  
+ATOM   4794  CG  LEU B 809       0.187 -13.666  33.541  1.00 95.54           C  
+ATOM   4795  CD1 LEU B 809       0.767 -12.305  33.909  1.00 95.54           C  
+ATOM   4796  CD2 LEU B 809       0.684 -14.111  32.169  1.00 95.54           C  
+ATOM   4797  N   ARG B 810      -0.140 -17.212  36.469  1.00 92.57           N  
+ATOM   4798  CA  ARG B 810       0.288 -17.999  37.621  1.00 92.57           C  
+ATOM   4799  C   ARG B 810       0.120 -19.492  37.357  1.00 92.57           C  
+ATOM   4800  CB  ARG B 810      -0.499 -17.596  38.870  1.00 92.57           C  
+ATOM   4801  O   ARG B 810       0.982 -20.293  37.725  1.00 92.57           O  
+ATOM   4802  CG  ARG B 810      -0.341 -16.133  39.253  1.00 92.57           C  
+ATOM   4803  CD  ARG B 810      -1.334 -15.721  40.331  1.00 92.57           C  
+ATOM   4804  NE  ARG B 810      -2.713 -15.834  39.864  1.00 92.57           N  
+ATOM   4805  NH1 ARG B 810      -3.664 -15.328  41.908  1.00 92.57           N  
+ATOM   4806  NH2 ARG B 810      -4.997 -15.772  40.097  1.00 92.57           N  
+ATOM   4807  CZ  ARG B 810      -3.788 -15.644  40.624  1.00 92.57           C  
+ATOM   4808  N   ALA B 811      -0.968 -19.731  36.711  1.00 89.46           N  
+ATOM   4809  CA  ALA B 811      -1.243 -21.131  36.397  1.00 89.46           C  
+ATOM   4810  C   ALA B 811      -0.429 -21.593  35.192  1.00 89.46           C  
+ATOM   4811  CB  ALA B 811      -2.734 -21.336  36.139  1.00 89.46           C  
+ATOM   4812  O   ALA B 811      -0.273 -22.795  34.964  1.00 89.46           O  
+ATOM   4813  N   ASP B 812       0.114 -20.616  34.500  1.00 90.92           N  
+ATOM   4814  CA  ASP B 812       0.886 -20.845  33.282  1.00 90.92           C  
+ATOM   4815  C   ASP B 812       0.132 -21.758  32.318  1.00 90.92           C  
+ATOM   4816  CB  ASP B 812       2.252 -21.447  33.617  1.00 90.92           C  
+ATOM   4817  O   ASP B 812       0.703 -22.709  31.780  1.00 90.92           O  
+ATOM   4818  CG  ASP B 812       3.255 -21.305  32.486  1.00 90.92           C  
+ATOM   4819  OD1 ASP B 812       3.136 -20.358  31.679  1.00 90.92           O  
+ATOM   4820  OD2 ASP B 812       4.172 -22.150  32.399  1.00 90.92           O  
+ATOM   4821  N   GLN B 813      -1.151 -21.491  32.139  1.00 90.26           N  
+ATOM   4822  CA  GLN B 813      -1.952 -22.302  31.229  1.00 90.26           C  
+ATOM   4823  C   GLN B 813      -3.207 -21.556  30.786  1.00 90.26           C  
+ATOM   4824  CB  GLN B 813      -2.336 -23.629  31.887  1.00 90.26           C  
+ATOM   4825  O   GLN B 813      -3.552 -20.518  31.356  1.00 90.26           O  
+ATOM   4826  CG  GLN B 813      -3.223 -23.473  33.114  1.00 90.26           C  
+ATOM   4827  CD  GLN B 813      -3.528 -24.796  33.790  1.00 90.26           C  
+ATOM   4828  NE2 GLN B 813      -3.954 -24.735  35.047  1.00 90.26           N  
+ATOM   4829  OE1 GLN B 813      -3.381 -25.865  33.188  1.00 90.26           O  
+ATOM   4830  N   GLU B 814      -3.852 -22.224  29.804  1.00 93.85           N  
+ATOM   4831  CA  GLU B 814      -5.148 -21.754  29.324  1.00 93.85           C  
+ATOM   4832  C   GLU B 814      -6.260 -22.099  30.311  1.00 93.85           C  
+ATOM   4833  CB  GLU B 814      -5.461 -22.350  27.950  1.00 93.85           C  
+ATOM   4834  O   GLU B 814      -6.362 -23.241  30.764  1.00 93.85           O  
+ATOM   4835  CG  GLU B 814      -6.829 -21.960  27.408  1.00 93.85           C  
+ATOM   4836  CD  GLU B 814      -7.210 -22.714  26.143  1.00 93.85           C  
+ATOM   4837  OE1 GLU B 814      -8.233 -23.435  26.151  1.00 93.85           O  
+ATOM   4838  OE2 GLU B 814      -6.478 -22.583  25.137  1.00 93.85           O  
+ATOM   4839  N   LEU B 815      -7.130 -21.035  30.628  1.00 94.21           N  
+ATOM   4840  CA  LEU B 815      -8.190 -21.253  31.606  1.00 94.21           C  
+ATOM   4841  C   LEU B 815      -9.514 -21.558  30.913  1.00 94.21           C  
+ATOM   4842  CB  LEU B 815      -8.344 -20.028  32.511  1.00 94.21           C  
+ATOM   4843  O   LEU B 815     -10.288 -22.394  31.384  1.00 94.21           O  
+ATOM   4844  CG  LEU B 815      -7.151 -19.693  33.407  1.00 94.21           C  
+ATOM   4845  CD1 LEU B 815      -7.481 -18.506  34.307  1.00 94.21           C  
+ATOM   4846  CD2 LEU B 815      -6.749 -20.906  34.239  1.00 94.21           C  
+ATOM   4847  N   MET B 816      -9.758 -20.906  29.839  1.00 96.27           N  
+ATOM   4848  CA  MET B 816     -11.081 -20.996  29.227  1.00 96.27           C  
+ATOM   4849  C   MET B 816     -11.024 -20.623  27.750  1.00 96.27           C  
+ATOM   4850  CB  MET B 816     -12.075 -20.092  29.957  1.00 96.27           C  
+ATOM   4851  O   MET B 816     -10.173 -19.833  27.337  1.00 96.27           O  
+ATOM   4852  CG  MET B 816     -13.520 -20.302  29.535  1.00 96.27           C  
+ATOM   4853  SD  MET B 816     -14.264 -21.797  30.295  1.00 96.27           S  
+ATOM   4854  CE  MET B 816     -15.275 -22.391  28.910  1.00 96.27           C  
+ATOM   4855  N   THR B 817     -11.969 -21.285  26.933  1.00 97.58           N  
+ATOM   4856  CA  THR B 817     -12.151 -20.966  25.522  1.00 97.58           C  
+ATOM   4857  C   THR B 817     -13.559 -20.438  25.264  1.00 97.58           C  
+ATOM   4858  CB  THR B 817     -11.891 -22.196  24.633  1.00 97.58           C  
+ATOM   4859  O   THR B 817     -14.541 -21.015  25.736  1.00 97.58           O  
+ATOM   4860  CG2 THR B 817     -12.041 -21.849  23.156  1.00 97.58           C  
+ATOM   4861  OG1 THR B 817     -10.561 -22.675  24.867  1.00 97.58           O  
+ATOM   4862  N   TYR B 818     -13.566 -19.306  24.554  1.00 97.84           N  
+ATOM   4863  CA  TYR B 818     -14.838 -18.685  24.204  1.00 97.84           C  
+ATOM   4864  C   TYR B 818     -15.134 -18.846  22.718  1.00 97.84           C  
+ATOM   4865  CB  TYR B 818     -14.832 -17.199  24.577  1.00 97.84           C  
+ATOM   4866  O   TYR B 818     -14.411 -18.312  21.874  1.00 97.84           O  
+ATOM   4867  CG  TYR B 818     -14.380 -16.931  25.992  1.00 97.84           C  
+ATOM   4868  CD1 TYR B 818     -15.306 -16.753  27.018  1.00 97.84           C  
+ATOM   4869  CD2 TYR B 818     -13.027 -16.853  26.306  1.00 97.84           C  
+ATOM   4870  CE1 TYR B 818     -14.894 -16.503  28.323  1.00 97.84           C  
+ATOM   4871  CE2 TYR B 818     -12.604 -16.603  27.607  1.00 97.84           C  
+ATOM   4872  OH  TYR B 818     -13.130 -16.184  29.897  1.00 97.84           O  
+ATOM   4873  CZ  TYR B 818     -13.543 -16.431  28.607  1.00 97.84           C  
+ATOM   4874  N   SER B 819     -16.243 -19.593  22.419  1.00 95.89           N  
+ATOM   4875  CA  SER B 819     -16.607 -19.864  21.033  1.00 95.89           C  
+ATOM   4876  C   SER B 819     -18.107 -20.102  20.891  1.00 95.89           C  
+ATOM   4877  CB  SER B 819     -15.838 -21.076  20.504  1.00 95.89           C  
+ATOM   4878  O   SER B 819     -18.800 -20.333  21.883  1.00 95.89           O  
+ATOM   4879  OG  SER B 819     -16.196 -22.248  21.216  1.00 95.89           O  
+ATOM   4880  N   HIS B 820     -18.557 -19.859  19.679  1.00 93.45           N  
+ATOM   4881  CA  HIS B 820     -19.946 -20.122  19.319  1.00 93.45           C  
+ATOM   4882  C   HIS B 820     -20.047 -20.755  17.935  1.00 93.45           C  
+ATOM   4883  CB  HIS B 820     -20.766 -18.831  19.367  1.00 93.45           C  
+ATOM   4884  O   HIS B 820     -19.258 -20.434  17.043  1.00 93.45           O  
+ATOM   4885  CG  HIS B 820     -22.242 -19.060  19.432  1.00 93.45           C  
+ATOM   4886  CD2 HIS B 820     -23.118 -18.928  20.456  1.00 93.45           C  
+ATOM   4887  ND1 HIS B 820     -22.978 -19.481  18.346  1.00 93.45           N  
+ATOM   4888  CE1 HIS B 820     -24.247 -19.598  18.701  1.00 93.45           C  
+ATOM   4889  NE2 HIS B 820     -24.359 -19.268  19.976  1.00 93.45           N  
+ATOM   4890  N   ASP B 821     -21.033 -21.719  17.780  1.00 88.71           N  
+ATOM   4891  CA  ASP B 821     -21.171 -22.509  16.560  1.00 88.71           C  
+ATOM   4892  C   ASP B 821     -21.506 -21.620  15.365  1.00 88.71           C  
+ATOM   4893  CB  ASP B 821     -22.246 -23.583  16.734  1.00 88.71           C  
+ATOM   4894  O   ASP B 821     -21.137 -21.931  14.230  1.00 88.71           O  
+ATOM   4895  CG  ASP B 821     -21.826 -24.695  17.680  1.00 88.71           C  
+ATOM   4896  OD1 ASP B 821     -20.613 -24.851  17.937  1.00 88.71           O  
+ATOM   4897  OD2 ASP B 821     -22.716 -25.424  18.169  1.00 88.71           O  
+ATOM   4898  N   ASN B 822     -22.022 -20.487  15.614  1.00 87.74           N  
+ATOM   4899  CA  ASN B 822     -22.463 -19.624  14.523  1.00 87.74           C  
+ATOM   4900  C   ASN B 822     -21.420 -18.560  14.194  1.00 87.74           C  
+ATOM   4901  CB  ASN B 822     -23.802 -18.967  14.866  1.00 87.74           C  
+ATOM   4902  O   ASN B 822     -21.589 -17.793  13.244  1.00 87.74           O  
+ATOM   4903  CG  ASN B 822     -24.945 -19.962  14.915  1.00 87.74           C  
+ATOM   4904  ND2 ASN B 822     -25.958 -19.661  15.719  1.00 87.74           N  
+ATOM   4905  OD1 ASN B 822     -24.917 -20.993  14.238  1.00 87.74           O  
+ATOM   4906  N   ILE B 823     -20.381 -18.603  14.900  1.00 88.46           N  
+ATOM   4907  CA  ILE B 823     -19.329 -17.624  14.655  1.00 88.46           C  
+ATOM   4908  C   ILE B 823     -18.120 -18.312  14.025  1.00 88.46           C  
+ATOM   4909  CB  ILE B 823     -18.916 -16.900  15.956  1.00 88.46           C  
+ATOM   4910  O   ILE B 823     -17.451 -19.122  14.673  1.00 88.46           O  
+ATOM   4911  CG1 ILE B 823     -20.132 -16.224  16.600  1.00 88.46           C  
+ATOM   4912  CG2 ILE B 823     -17.806 -15.881  15.678  1.00 88.46           C  
+ATOM   4913  CD1 ILE B 823     -19.854 -15.628  17.973  1.00 88.46           C  
+ATOM   4914  N   ILE B 824     -17.838 -17.911  12.737  1.00 89.13           N  
+ATOM   4915  CA  ILE B 824     -16.743 -18.588  12.051  1.00 89.13           C  
+ATOM   4916  C   ILE B 824     -15.701 -17.563  11.607  1.00 89.13           C  
+ATOM   4917  CB  ILE B 824     -17.250 -19.397  10.837  1.00 89.13           C  
+ATOM   4918  O   ILE B 824     -14.636 -17.930  11.104  1.00 89.13           O  
+ATOM   4919  CG1 ILE B 824     -18.077 -18.502   9.907  1.00 89.13           C  
+ATOM   4920  CG2 ILE B 824     -18.065 -20.609  11.298  1.00 89.13           C  
+ATOM   4921  CD1 ILE B 824     -18.438 -19.155   8.579  1.00 89.13           C  
+ATOM   4922  N   CYS B 825     -15.996 -16.389  11.889  1.00 89.64           N  
+ATOM   4923  CA  CYS B 825     -15.117 -15.318  11.433  1.00 89.64           C  
+ATOM   4924  C   CYS B 825     -14.037 -15.022  12.467  1.00 89.64           C  
+ATOM   4925  CB  CYS B 825     -15.920 -14.051  11.143  1.00 89.64           C  
+ATOM   4926  O   CYS B 825     -14.211 -15.311  13.652  1.00 89.64           O  
+ATOM   4927  SG  CYS B 825     -17.218 -14.278   9.908  1.00 89.64           S  
+ATOM   4928  N   GLY B 826     -12.911 -14.458  12.010  1.00 92.03           N  
+ATOM   4929  CA  GLY B 826     -11.771 -14.159  12.862  1.00 92.03           C  
+ATOM   4930  C   GLY B 826     -12.016 -12.990  13.797  1.00 92.03           C  
+ATOM   4931  O   GLY B 826     -12.800 -12.092  13.485  1.00 92.03           O  
+ATOM   4932  N   ILE B 827     -11.353 -12.984  14.863  1.00 97.46           N  
+ATOM   4933  CA  ILE B 827     -11.449 -11.950  15.888  1.00 97.46           C  
+ATOM   4934  C   ILE B 827     -10.423 -10.853  15.611  1.00 97.46           C  
+ATOM   4935  CB  ILE B 827     -11.239 -12.535  17.303  1.00 97.46           C  
+ATOM   4936  O   ILE B 827      -9.254 -11.141  15.344  1.00 97.46           O  
+ATOM   4937  CG1 ILE B 827     -12.344 -13.545  17.632  1.00 97.46           C  
+ATOM   4938  CG2 ILE B 827     -11.189 -11.417  18.348  1.00 97.46           C  
+ATOM   4939  CD1 ILE B 827     -12.081 -14.362  18.890  1.00 97.46           C  
+ATOM   4940  N   THR B 828     -10.892  -9.649  15.758  1.00 97.36           N  
+ATOM   4941  CA  THR B 828     -10.022  -8.544  15.372  1.00 97.36           C  
+ATOM   4942  C   THR B 828      -9.593  -7.740  16.597  1.00 97.36           C  
+ATOM   4943  CB  THR B 828     -10.716  -7.613  14.361  1.00 97.36           C  
+ATOM   4944  O   THR B 828      -8.587  -7.028  16.558  1.00 97.36           O  
+ATOM   4945  CG2 THR B 828     -11.008  -8.341  13.053  1.00 97.36           C  
+ATOM   4946  OG1 THR B 828     -11.949  -7.144  14.920  1.00 97.36           O  
+ATOM   4947  N   SER B 829     -10.361  -7.717  17.644  1.00 97.83           N  
+ATOM   4948  CA  SER B 829     -10.050  -6.951  18.846  1.00 97.83           C  
+ATOM   4949  C   SER B 829     -10.708  -7.564  20.078  1.00 97.83           C  
+ATOM   4950  CB  SER B 829     -10.500  -5.498  18.687  1.00 97.83           C  
+ATOM   4951  O   SER B 829     -11.745  -8.223  19.971  1.00 97.83           O  
+ATOM   4952  OG  SER B 829     -11.893  -5.428  18.433  1.00 97.83           O  
+ATOM   4953  N   VAL B 830     -10.030  -7.370  21.258  1.00 98.37           N  
+ATOM   4954  CA  VAL B 830     -10.567  -7.885  22.512  1.00 98.37           C  
+ATOM   4955  C   VAL B 830     -10.365  -6.857  23.623  1.00 98.37           C  
+ATOM   4956  CB  VAL B 830      -9.909  -9.228  22.903  1.00 98.37           C  
+ATOM   4957  O   VAL B 830      -9.405  -6.084  23.594  1.00 98.37           O  
+ATOM   4958  CG1 VAL B 830     -10.243 -10.311  21.879  1.00 98.37           C  
+ATOM   4959  CG2 VAL B 830      -8.397  -9.061  23.037  1.00 98.37           C  
+ATOM   4960  N   SER B 831     -11.314  -6.811  24.584  1.00 98.22           N  
+ATOM   4961  CA  SER B 831     -11.216  -5.948  25.756  1.00 98.22           C  
+ATOM   4962  C   SER B 831     -12.049  -6.490  26.913  1.00 98.22           C  
+ATOM   4963  CB  SER B 831     -11.666  -4.526  25.415  1.00 98.22           C  
+ATOM   4964  O   SER B 831     -13.024  -7.214  26.697  1.00 98.22           O  
+ATOM   4965  OG  SER B 831     -11.311  -3.625  26.449  1.00 98.22           O  
+ATOM   4966  N   PHE B 832     -11.600  -6.132  28.131  1.00 98.22           N  
+ATOM   4967  CA  PHE B 832     -12.339  -6.533  29.323  1.00 98.22           C  
+ATOM   4968  C   PHE B 832     -13.125  -5.358  29.892  1.00 98.22           C  
+ATOM   4969  CB  PHE B 832     -11.388  -7.092  30.385  1.00 98.22           C  
+ATOM   4970  O   PHE B 832     -12.710  -4.204  29.761  1.00 98.22           O  
+ATOM   4971  CG  PHE B 832     -10.974  -8.518  30.138  1.00 98.22           C  
+ATOM   4972  CD1 PHE B 832     -11.854  -9.565  30.384  1.00 98.22           C  
+ATOM   4973  CD2 PHE B 832      -9.704  -8.812  29.660  1.00 98.22           C  
+ATOM   4974  CE1 PHE B 832     -11.474 -10.885  30.157  1.00 98.22           C  
+ATOM   4975  CE2 PHE B 832      -9.316 -10.129  29.431  1.00 98.22           C  
+ATOM   4976  CZ  PHE B 832     -10.202 -11.164  29.681  1.00 98.22           C  
+ATOM   4977  N   SER B 833     -14.258  -5.787  30.489  1.00 97.28           N  
+ATOM   4978  CA  SER B 833     -14.860  -4.807  31.387  1.00 97.28           C  
+ATOM   4979  C   SER B 833     -13.955  -4.522  32.582  1.00 97.28           C  
+ATOM   4980  CB  SER B 833     -16.225  -5.294  31.876  1.00 97.28           C  
+ATOM   4981  O   SER B 833     -13.070  -5.319  32.900  1.00 97.28           O  
+ATOM   4982  OG  SER B 833     -16.090  -6.473  32.651  1.00 97.28           O  
+ATOM   4983  N   LYS B 834     -14.164  -3.355  33.191  1.00 95.40           N  
+ATOM   4984  CA  LYS B 834     -13.301  -2.973  34.305  1.00 95.40           C  
+ATOM   4985  C   LYS B 834     -13.373  -3.998  35.433  1.00 95.40           C  
+ATOM   4986  CB  LYS B 834     -13.683  -1.588  34.829  1.00 95.40           C  
+ATOM   4987  O   LYS B 834     -12.372  -4.267  36.100  1.00 95.40           O  
+ATOM   4988  CG  LYS B 834     -12.697  -1.014  35.836  1.00 95.40           C  
+ATOM   4989  CD  LYS B 834     -11.330  -0.776  35.208  1.00 95.40           C  
+ATOM   4990  CE  LYS B 834     -10.357  -0.156  36.201  1.00 95.40           C  
+ATOM   4991  NZ  LYS B 834      -8.987  -0.017  35.622  1.00 95.40           N  
+ATOM   4992  N   SER B 835     -14.545  -4.628  35.620  1.00 95.33           N  
+ATOM   4993  CA  SER B 835     -14.717  -5.651  36.647  1.00 95.33           C  
+ATOM   4994  C   SER B 835     -14.042  -6.957  36.244  1.00 95.33           C  
+ATOM   4995  CB  SER B 835     -16.202  -5.896  36.916  1.00 95.33           C  
+ATOM   4996  O   SER B 835     -13.751  -7.800  37.096  1.00 95.33           O  
+ATOM   4997  OG  SER B 835     -16.827  -6.486  35.789  1.00 95.33           O  
+ATOM   4998  N   GLY B 836     -13.836  -7.133  34.958  1.00 96.22           N  
+ATOM   4999  CA  GLY B 836     -13.288  -8.369  34.422  1.00 96.22           C  
+ATOM   5000  C   GLY B 836     -14.344  -9.429  34.169  1.00 96.22           C  
+ATOM   5001  O   GLY B 836     -14.026 -10.536  33.729  1.00 96.22           O  
+ATOM   5002  N   ARG B 837     -15.581  -9.068  34.442  1.00 96.08           N  
+ATOM   5003  CA  ARG B 837     -16.690 -10.012  34.338  1.00 96.08           C  
+ATOM   5004  C   ARG B 837     -17.105 -10.210  32.884  1.00 96.08           C  
+ATOM   5005  CB  ARG B 837     -17.885  -9.531  35.163  1.00 96.08           C  
+ATOM   5006  O   ARG B 837     -17.603 -11.276  32.515  1.00 96.08           O  
+ATOM   5007  CG  ARG B 837     -19.090 -10.456  35.099  1.00 96.08           C  
+ATOM   5008  CD  ARG B 837     -18.783 -11.823  35.695  1.00 96.08           C  
+ATOM   5009  NE  ARG B 837     -19.962 -12.684  35.706  1.00 96.08           N  
+ATOM   5010  NH1 ARG B 837     -18.926 -14.439  36.794  1.00 96.08           N  
+ATOM   5011  NH2 ARG B 837     -21.130 -14.603  36.184  1.00 96.08           N  
+ATOM   5012  CZ  ARG B 837     -20.003 -13.907  36.228  1.00 96.08           C  
+ATOM   5013  N   LEU B 838     -16.887  -9.227  32.078  1.00 97.83           N  
+ATOM   5014  CA  LEU B 838     -17.254  -9.306  30.668  1.00 97.83           C  
+ATOM   5015  C   LEU B 838     -16.014  -9.285  29.781  1.00 97.83           C  
+ATOM   5016  CB  LEU B 838     -18.185  -8.151  30.291  1.00 97.83           C  
+ATOM   5017  O   LEU B 838     -15.088  -8.506  30.020  1.00 97.83           O  
+ATOM   5018  CG  LEU B 838     -19.459  -8.006  31.126  1.00 97.83           C  
+ATOM   5019  CD1 LEU B 838     -20.267  -6.802  30.655  1.00 97.83           C  
+ATOM   5020  CD2 LEU B 838     -20.294  -9.280  31.051  1.00 97.83           C  
+ATOM   5021  N   LEU B 839     -16.005 -10.217  28.836  1.00 98.45           N  
+ATOM   5022  CA  LEU B 839     -15.036 -10.200  27.746  1.00 98.45           C  
+ATOM   5023  C   LEU B 839     -15.699  -9.789  26.436  1.00 98.45           C  
+ATOM   5024  CB  LEU B 839     -14.379 -11.574  27.590  1.00 98.45           C  
+ATOM   5025  O   LEU B 839     -16.632 -10.450  25.973  1.00 98.45           O  
+ATOM   5026  CG  LEU B 839     -13.415 -11.735  26.414  1.00 98.45           C  
+ATOM   5027  CD1 LEU B 839     -12.217 -10.806  26.580  1.00 98.45           C  
+ATOM   5028  CD2 LEU B 839     -12.960 -13.185  26.290  1.00 98.45           C  
+ATOM   5029  N   LEU B 840     -15.213  -8.645  25.893  1.00 98.45           N  
+ATOM   5030  CA  LEU B 840     -15.739  -8.129  24.634  1.00 98.45           C  
+ATOM   5031  C   LEU B 840     -14.807  -8.468  23.476  1.00 98.45           C  
+ATOM   5032  CB  LEU B 840     -15.939  -6.614  24.717  1.00 98.45           C  
+ATOM   5033  O   LEU B 840     -13.592  -8.278  23.574  1.00 98.45           O  
+ATOM   5034  CG  LEU B 840     -16.848  -6.110  25.839  1.00 98.45           C  
+ATOM   5035  CD1 LEU B 840     -16.014  -5.555  26.988  1.00 98.45           C  
+ATOM   5036  CD2 LEU B 840     -17.813  -5.053  25.312  1.00 98.45           C  
+ATOM   5037  N   ALA B 841     -15.446  -8.951  22.354  1.00 98.37           N  
+ATOM   5038  CA  ALA B 841     -14.635  -9.334  21.201  1.00 98.37           C  
+ATOM   5039  C   ALA B 841     -15.271  -8.854  19.899  1.00 98.37           C  
+ATOM   5040  CB  ALA B 841     -14.441 -10.848  21.166  1.00 98.37           C  
+ATOM   5041  O   ALA B 841     -16.428  -9.170  19.613  1.00 98.37           O  
+ATOM   5042  N   GLY B 842     -14.440  -8.087  19.143  1.00 97.84           N  
+ATOM   5043  CA  GLY B 842     -14.854  -7.671  17.813  1.00 97.84           C  
+ATOM   5044  C   GLY B 842     -14.527  -8.692  16.740  1.00 97.84           C  
+ATOM   5045  O   GLY B 842     -13.460  -9.308  16.767  1.00 97.84           O  
+ATOM   5046  N   TYR B 843     -15.464  -8.777  15.742  1.00 96.08           N  
+ATOM   5047  CA  TYR B 843     -15.310  -9.819  14.732  1.00 96.08           C  
+ATOM   5048  C   TYR B 843     -15.370  -9.230  13.328  1.00 96.08           C  
+ATOM   5049  CB  TYR B 843     -16.392 -10.890  14.895  1.00 96.08           C  
+ATOM   5050  O   TYR B 843     -15.842  -8.106  13.139  1.00 96.08           O  
+ATOM   5051  CG  TYR B 843     -16.211 -11.754  16.120  1.00 96.08           C  
+ATOM   5052  CD1 TYR B 843     -15.686 -13.041  16.017  1.00 96.08           C  
+ATOM   5053  CD2 TYR B 843     -16.564 -11.287  17.381  1.00 96.08           C  
+ATOM   5054  CE1 TYR B 843     -15.519 -13.842  17.142  1.00 96.08           C  
+ATOM   5055  CE2 TYR B 843     -16.402 -12.079  18.513  1.00 96.08           C  
+ATOM   5056  OH  TYR B 843     -15.715 -14.141  19.500  1.00 96.08           O  
+ATOM   5057  CZ  TYR B 843     -15.879 -13.353  18.383  1.00 96.08           C  
+ATOM   5058  N   ASP B 844     -14.961 -10.057  12.368  1.00 91.34           N  
+ATOM   5059  CA  ASP B 844     -14.981  -9.704  10.952  1.00 91.34           C  
+ATOM   5060  C   ASP B 844     -16.408  -9.699  10.408  1.00 91.34           C  
+ATOM   5061  CB  ASP B 844     -14.114 -10.672  10.145  1.00 91.34           C  
+ATOM   5062  O   ASP B 844     -16.662  -9.174   9.322  1.00 91.34           O  
+ATOM   5063  CG  ASP B 844     -12.636 -10.325  10.194  1.00 91.34           C  
+ATOM   5064  OD1 ASP B 844     -12.282  -9.230  10.681  1.00 91.34           O  
+ATOM   5065  OD2 ASP B 844     -11.818 -11.154   9.738  1.00 91.34           O  
+ATOM   5066  N   ASP B 845     -17.265 -10.182  11.209  1.00 90.06           N  
+ATOM   5067  CA  ASP B 845     -18.648 -10.284  10.754  1.00 90.06           C  
+ATOM   5068  C   ASP B 845     -19.457  -9.058  11.172  1.00 90.06           C  
+ATOM   5069  CB  ASP B 845     -19.301 -11.556  11.300  1.00 90.06           C  
+ATOM   5070  O   ASP B 845     -20.678  -9.135  11.322  1.00 90.06           O  
+ATOM   5071  CG  ASP B 845     -19.423 -11.556  12.814  1.00 90.06           C  
+ATOM   5072  OD1 ASP B 845     -18.892 -10.633  13.469  1.00 90.06           O  
+ATOM   5073  OD2 ASP B 845     -20.052 -12.490  13.357  1.00 90.06           O  
+ATOM   5074  N   PHE B 846     -18.831  -7.993  11.585  1.00 93.21           N  
+ATOM   5075  CA  PHE B 846     -19.421  -6.684  11.836  1.00 93.21           C  
+ATOM   5076  C   PHE B 846     -19.867  -6.560  13.288  1.00 93.21           C  
+ATOM   5077  CB  PHE B 846     -20.608  -6.440  10.900  1.00 93.21           C  
+ATOM   5078  O   PHE B 846     -20.292  -5.488  13.724  1.00 93.21           O  
+ATOM   5079  CG  PHE B 846     -20.302  -6.703   9.450  1.00 93.21           C  
+ATOM   5080  CD1 PHE B 846     -18.992  -6.682   8.987  1.00 93.21           C  
+ATOM   5081  CD2 PHE B 846     -21.325  -6.972   8.550  1.00 93.21           C  
+ATOM   5082  CE1 PHE B 846     -18.706  -6.925   7.646  1.00 93.21           C  
+ATOM   5083  CE2 PHE B 846     -21.047  -7.216   7.208  1.00 93.21           C  
+ATOM   5084  CZ  PHE B 846     -19.737  -7.191   6.758  1.00 93.21           C  
+ATOM   5085  N   ASN B 847     -19.841  -7.716  14.014  1.00 95.39           N  
+ATOM   5086  CA  ASN B 847     -20.398  -7.714  15.362  1.00 95.39           C  
+ATOM   5087  C   ASN B 847     -19.301  -7.743  16.422  1.00 95.39           C  
+ATOM   5088  CB  ASN B 847     -21.350  -8.897  15.551  1.00 95.39           C  
+ATOM   5089  O   ASN B 847     -18.185  -8.192  16.155  1.00 95.39           O  
+ATOM   5090  CG  ASN B 847     -22.560  -8.824  14.641  1.00 95.39           C  
+ATOM   5091  ND2 ASN B 847     -22.877  -9.935  13.985  1.00 95.39           N  
+ATOM   5092  OD1 ASN B 847     -23.205  -7.779  14.527  1.00 95.39           O  
+ATOM   5093  N   CYS B 848     -19.710  -7.217  17.574  1.00 97.17           N  
+ATOM   5094  CA  CYS B 848     -18.952  -7.392  18.808  1.00 97.17           C  
+ATOM   5095  C   CYS B 848     -19.706  -8.282  19.789  1.00 97.17           C  
+ATOM   5096  CB  CYS B 848     -18.660  -6.039  19.454  1.00 97.17           C  
+ATOM   5097  O   CYS B 848     -20.813  -7.946  20.214  1.00 97.17           O  
+ATOM   5098  SG  CYS B 848     -17.734  -6.155  21.001  1.00 97.17           S  
+ATOM   5099  N   ASN B 849     -19.081  -9.401  20.107  1.00 97.25           N  
+ATOM   5100  CA  ASN B 849     -19.710 -10.335  21.034  1.00 97.25           C  
+ATOM   5101  C   ASN B 849     -19.257 -10.090  22.471  1.00 97.25           C  
+ATOM   5102  CB  ASN B 849     -19.415 -11.779  20.624  1.00 97.25           C  
+ATOM   5103  O   ASN B 849     -18.084  -9.805  22.716  1.00 97.25           O  
+ATOM   5104  CG  ASN B 849     -20.127 -12.180  19.347  1.00 97.25           C  
+ATOM   5105  ND2 ASN B 849     -19.416 -12.115  18.227  1.00 97.25           N  
+ATOM   5106  OD1 ASN B 849     -21.305 -12.545  19.366  1.00 97.25           O  
+ATOM   5107  N   VAL B 850     -20.228 -10.183  23.407  1.00 97.90           N  
+ATOM   5108  CA  VAL B 850     -19.976 -10.013  24.834  1.00 97.90           C  
+ATOM   5109  C   VAL B 850     -20.071 -11.363  25.541  1.00 97.90           C  
+ATOM   5110  CB  VAL B 850     -20.963  -9.008  25.469  1.00 97.90           C  
+ATOM   5111  O   VAL B 850     -21.120 -12.011  25.516  1.00 97.90           O  
+ATOM   5112  CG1 VAL B 850     -20.598  -8.742  26.928  1.00 97.90           C  
+ATOM   5113  CG2 VAL B 850     -20.981  -7.704  24.673  1.00 97.90           C  
+ATOM   5114  N   TRP B 851     -18.929 -11.728  26.122  1.00 98.10           N  
+ATOM   5115  CA  TRP B 851     -18.856 -13.031  26.776  1.00 98.10           C  
+ATOM   5116  C   TRP B 851     -18.826 -12.878  28.293  1.00 98.10           C  
+ATOM   5117  CB  TRP B 851     -17.621 -13.802  26.304  1.00 98.10           C  
+ATOM   5118  O   TRP B 851     -18.285 -11.900  28.814  1.00 98.10           O  
+ATOM   5119  CG  TRP B 851     -17.537 -13.966  24.816  1.00 98.10           C  
+ATOM   5120  CD1 TRP B 851     -16.917 -13.131  23.928  1.00 98.10           C  
+ATOM   5121  CD2 TRP B 851     -18.098 -15.030  24.040  1.00 98.10           C  
+ATOM   5122  CE2 TRP B 851     -17.778 -14.775  22.688  1.00 98.10           C  
+ATOM   5123  CE3 TRP B 851     -18.841 -16.175  24.358  1.00 98.10           C  
+ATOM   5124  NE1 TRP B 851     -17.058 -13.612  22.647  1.00 98.10           N  
+ATOM   5125  CH2 TRP B 851     -18.901 -16.739  21.993  1.00 98.10           C  
+ATOM   5126  CZ2 TRP B 851     -18.176 -15.626  21.654  1.00 98.10           C  
+ATOM   5127  CZ3 TRP B 851     -19.235 -17.020  23.328  1.00 98.10           C  
+ATOM   5128  N   ASP B 852     -19.481 -13.799  28.889  1.00 97.64           N  
+ATOM   5129  CA  ASP B 852     -19.230 -13.994  30.313  1.00 97.64           C  
+ATOM   5130  C   ASP B 852     -17.864 -14.636  30.547  1.00 97.64           C  
+ATOM   5131  CB  ASP B 852     -20.329 -14.855  30.939  1.00 97.64           C  
+ATOM   5132  O   ASP B 852     -17.667 -15.816  30.250  1.00 97.64           O  
+ATOM   5133  CG  ASP B 852     -20.233 -14.931  32.452  1.00 97.64           C  
+ATOM   5134  OD1 ASP B 852     -19.114 -14.827  32.999  1.00 97.64           O  
+ATOM   5135  OD2 ASP B 852     -21.286 -15.101  33.105  1.00 97.64           O  
+ATOM   5136  N   ALA B 853     -16.996 -13.909  31.192  1.00 96.95           N  
+ATOM   5137  CA  ALA B 853     -15.598 -14.323  31.275  1.00 96.95           C  
+ATOM   5138  C   ALA B 853     -15.449 -15.585  32.121  1.00 96.95           C  
+ATOM   5139  CB  ALA B 853     -14.742 -13.197  31.851  1.00 96.95           C  
+ATOM   5140  O   ALA B 853     -14.540 -16.387  31.895  1.00 96.95           O  
+ATOM   5141  N   LEU B 854     -16.338 -15.819  32.999  1.00 95.86           N  
+ATOM   5142  CA  LEU B 854     -16.207 -16.927  33.938  1.00 95.86           C  
+ATOM   5143  C   LEU B 854     -16.939 -18.163  33.427  1.00 95.86           C  
+ATOM   5144  CB  LEU B 854     -16.749 -16.531  35.314  1.00 95.86           C  
+ATOM   5145  O   LEU B 854     -16.531 -19.293  33.708  1.00 95.86           O  
+ATOM   5146  CG  LEU B 854     -16.055 -15.356  36.004  1.00 95.86           C  
+ATOM   5147  CD1 LEU B 854     -16.679 -15.101  37.372  1.00 95.86           C  
+ATOM   5148  CD2 LEU B 854     -14.559 -15.619  36.133  1.00 95.86           C  
+ATOM   5149  N   LYS B 855     -17.995 -17.956  32.566  1.00 95.29           N  
+ATOM   5150  CA  LYS B 855     -18.865 -19.068  32.195  1.00 95.29           C  
+ATOM   5151  C   LYS B 855     -18.744 -19.388  30.708  1.00 95.29           C  
+ATOM   5152  CB  LYS B 855     -20.319 -18.753  32.547  1.00 95.29           C  
+ATOM   5153  O   LYS B 855     -19.264 -20.404  30.242  1.00 95.29           O  
+ATOM   5154  CG  LYS B 855     -20.567 -18.554  34.035  1.00 95.29           C  
+ATOM   5155  CD  LYS B 855     -20.392 -19.854  34.810  1.00 95.29           C  
+ATOM   5156  CE  LYS B 855     -20.760 -19.685  36.278  1.00 95.29           C  
+ATOM   5157  NZ  LYS B 855     -20.600 -20.960  37.040  1.00 95.29           N  
+ATOM   5158  N   ALA B 856     -18.168 -18.564  29.983  1.00 95.62           N  
+ATOM   5159  CA  ALA B 856     -17.916 -18.702  28.551  1.00 95.62           C  
+ATOM   5160  C   ALA B 856     -19.222 -18.697  27.762  1.00 95.62           C  
+ATOM   5161  CB  ALA B 856     -17.133 -19.982  28.269  1.00 95.62           C  
+ATOM   5162  O   ALA B 856     -19.279 -19.205  26.639  1.00 95.62           O  
+ATOM   5163  N   ASP B 857     -20.256 -18.199  28.456  1.00 94.96           N  
+ATOM   5164  CA  ASP B 857     -21.531 -18.018  27.770  1.00 94.96           C  
+ATOM   5165  C   ASP B 857     -21.585 -16.670  27.055  1.00 94.96           C  
+ATOM   5166  CB  ASP B 857     -22.694 -18.136  28.758  1.00 94.96           C  
+ATOM   5167  O   ASP B 857     -21.072 -15.671  27.563  1.00 94.96           O  
+ATOM   5168  CG  ASP B 857     -22.839 -19.532  29.339  1.00 94.96           C  
+ATOM   5169  OD1 ASP B 857     -22.312 -20.497  28.746  1.00 94.96           O  
+ATOM   5170  OD2 ASP B 857     -23.488 -19.667  30.398  1.00 94.96           O  
+ATOM   5171  N   ARG B 858     -22.212 -16.749  25.906  1.00 95.67           N  
+ATOM   5172  CA  ARG B 858     -22.426 -15.502  25.179  1.00 95.67           C  
+ATOM   5173  C   ARG B 858     -23.546 -14.683  25.814  1.00 95.67           C  
+ATOM   5174  CB  ARG B 858     -22.752 -15.784  23.711  1.00 95.67           C  
+ATOM   5175  O   ARG B 858     -24.713 -15.077  25.769  1.00 95.67           O  
+ATOM   5176  CG  ARG B 858     -22.777 -14.541  22.836  1.00 95.67           C  
+ATOM   5177  CD  ARG B 858     -22.907 -14.893  21.360  1.00 95.67           C  
+ATOM   5178  NE  ARG B 858     -24.258 -15.339  21.030  1.00 95.67           N  
+ATOM   5179  NH1 ARG B 858     -23.874 -15.492  18.757  1.00 95.67           N  
+ATOM   5180  NH2 ARG B 858     -25.936 -16.012  19.613  1.00 95.67           N  
+ATOM   5181  CZ  ARG B 858     -24.686 -15.613  19.801  1.00 95.67           C  
+ATOM   5182  N   ALA B 859     -23.117 -13.525  26.400  1.00 96.02           N  
+ATOM   5183  CA  ALA B 859     -24.043 -12.729  27.201  1.00 96.02           C  
+ATOM   5184  C   ALA B 859     -24.759 -11.690  26.343  1.00 96.02           C  
+ATOM   5185  CB  ALA B 859     -23.302 -12.047  28.349  1.00 96.02           C  
+ATOM   5186  O   ALA B 859     -25.851 -11.235  26.690  1.00 96.02           O  
+ATOM   5187  N   GLY B 860     -24.202 -11.315  25.221  1.00 95.90           N  
+ATOM   5188  CA  GLY B 860     -24.807 -10.308  24.365  1.00 95.90           C  
+ATOM   5189  C   GLY B 860     -24.014 -10.046  23.099  1.00 95.90           C  
+ATOM   5190  O   GLY B 860     -22.924 -10.594  22.918  1.00 95.90           O  
+ATOM   5191  N   VAL B 861     -24.699  -9.266  22.166  1.00 96.03           N  
+ATOM   5192  CA  VAL B 861     -24.081  -8.881  20.902  1.00 96.03           C  
+ATOM   5193  C   VAL B 861     -24.290  -7.388  20.659  1.00 96.03           C  
+ATOM   5194  CB  VAL B 861     -24.648  -9.698  19.720  1.00 96.03           C  
+ATOM   5195  O   VAL B 861     -25.407  -6.881  20.792  1.00 96.03           O  
+ATOM   5196  CG1 VAL B 861     -24.005  -9.262  18.405  1.00 96.03           C  
+ATOM   5197  CG2 VAL B 861     -24.433 -11.192  19.954  1.00 96.03           C  
+ATOM   5198  N   LEU B 862     -23.168  -6.747  20.390  1.00 96.76           N  
+ATOM   5199  CA  LEU B 862     -23.257  -5.360  19.947  1.00 96.76           C  
+ATOM   5200  C   LEU B 862     -23.298  -5.278  18.425  1.00 96.76           C  
+ATOM   5201  CB  LEU B 862     -22.074  -4.550  20.483  1.00 96.76           C  
+ATOM   5202  O   LEU B 862     -22.265  -5.406  17.764  1.00 96.76           O  
+ATOM   5203  CG  LEU B 862     -21.758  -4.712  21.970  1.00 96.76           C  
+ATOM   5204  CD1 LEU B 862     -20.583  -3.824  22.363  1.00 96.76           C  
+ATOM   5205  CD2 LEU B 862     -22.985  -4.390  22.816  1.00 96.76           C  
+ATOM   5206  N   ALA B 863     -24.546  -4.977  17.937  1.00 94.68           N  
+ATOM   5207  CA  ALA B 863     -24.759  -4.930  16.493  1.00 94.68           C  
+ATOM   5208  C   ALA B 863     -25.110  -3.517  16.036  1.00 94.68           C  
+ATOM   5209  CB  ALA B 863     -25.859  -5.906  16.085  1.00 94.68           C  
+ATOM   5210  O   ALA B 863     -26.115  -2.949  16.472  1.00 94.68           O  
+ATOM   5211  N   GLY B 864     -24.210  -2.905  15.276  1.00 92.71           N  
+ATOM   5212  CA  GLY B 864     -24.504  -1.558  14.814  1.00 92.71           C  
+ATOM   5213  C   GLY B 864     -23.642  -1.127  13.643  1.00 92.71           C  
+ATOM   5214  O   GLY B 864     -24.008  -0.216  12.898  1.00 92.71           O  
+ATOM   5215  N   HIS B 865     -22.694  -1.875  13.352  1.00 96.52           N  
+ATOM   5216  CA  HIS B 865     -21.788  -1.523  12.264  1.00 96.52           C  
+ATOM   5217  C   HIS B 865     -22.186  -2.219  10.967  1.00 96.52           C  
+ATOM   5218  CB  HIS B 865     -20.346  -1.880  12.631  1.00 96.52           C  
+ATOM   5219  O   HIS B 865     -22.861  -3.250  10.994  1.00 96.52           O  
+ATOM   5220  CG  HIS B 865     -19.735  -0.954  13.634  1.00 96.52           C  
+ATOM   5221  CD2 HIS B 865     -19.356  -1.159  14.918  1.00 96.52           C  
+ATOM   5222  ND1 HIS B 865     -19.453   0.365  13.354  1.00 96.52           N  
+ATOM   5223  CE1 HIS B 865     -18.923   0.933  14.425  1.00 96.52           C  
+ATOM   5224  NE2 HIS B 865     -18.854   0.029  15.388  1.00 96.52           N  
+ATOM   5225  N   ASP B 866     -21.773  -1.672   9.830  1.00 93.65           N  
+ATOM   5226  CA  ASP B 866     -22.111  -2.207   8.515  1.00 93.65           C  
+ATOM   5227  C   ASP B 866     -20.905  -2.890   7.873  1.00 93.65           C  
+ATOM   5228  CB  ASP B 866     -22.634  -1.096   7.602  1.00 93.65           C  
+ATOM   5229  O   ASP B 866     -20.941  -3.244   6.693  1.00 93.65           O  
+ATOM   5230  CG  ASP B 866     -23.981  -0.552   8.041  1.00 93.65           C  
+ATOM   5231  OD1 ASP B 866     -24.818  -1.331   8.547  1.00 93.65           O  
+ATOM   5232  OD2 ASP B 866     -24.210   0.666   7.879  1.00 93.65           O  
+ATOM   5233  N   ASN B 867     -19.870  -2.845   8.624  1.00 94.65           N  
+ATOM   5234  CA  ASN B 867     -18.629  -3.484   8.198  1.00 94.65           C  
+ATOM   5235  C   ASN B 867     -17.851  -4.045   9.384  1.00 94.65           C  
+ATOM   5236  CB  ASN B 867     -17.761  -2.500   7.411  1.00 94.65           C  
+ATOM   5237  O   ASN B 867     -18.332  -4.013  10.519  1.00 94.65           O  
+ATOM   5238  CG  ASN B 867     -16.938  -3.179   6.334  1.00 94.65           C  
+ATOM   5239  ND2 ASN B 867     -16.874  -2.562   5.160  1.00 94.65           N  
+ATOM   5240  OD1 ASN B 867     -16.365  -4.249   6.556  1.00 94.65           O  
+ATOM   5241  N   ARG B 868     -16.644  -4.651   9.088  1.00 93.94           N  
+ATOM   5242  CA  ARG B 868     -15.842  -5.336  10.097  1.00 93.94           C  
+ATOM   5243  C   ARG B 868     -15.486  -4.396  11.244  1.00 93.94           C  
+ATOM   5244  CB  ARG B 868     -14.567  -5.908   9.473  1.00 93.94           C  
+ATOM   5245  O   ARG B 868     -15.116  -3.242  11.016  1.00 93.94           O  
+ATOM   5246  CG  ARG B 868     -13.543  -6.383  10.491  1.00 93.94           C  
+ATOM   5247  CD  ARG B 868     -12.243  -6.814   9.825  1.00 93.94           C  
+ATOM   5248  NE  ARG B 868     -12.444  -7.959   8.942  1.00 93.94           N  
+ATOM   5249  NH1 ARG B 868     -10.230  -8.620   8.956  1.00 93.94           N  
+ATOM   5250  NH2 ARG B 868     -11.776  -9.802   7.745  1.00 93.94           N  
+ATOM   5251  CZ  ARG B 868     -11.483  -8.791   8.550  1.00 93.94           C  
+ATOM   5252  N   VAL B 869     -15.649  -4.916  12.514  1.00 97.68           N  
+ATOM   5253  CA  VAL B 869     -15.197  -4.192  13.698  1.00 97.68           C  
+ATOM   5254  C   VAL B 869     -13.692  -4.378  13.873  1.00 97.68           C  
+ATOM   5255  CB  VAL B 869     -15.944  -4.659  14.968  1.00 97.68           C  
+ATOM   5256  O   VAL B 869     -13.223  -5.490  14.128  1.00 97.68           O  
+ATOM   5257  CG1 VAL B 869     -15.433  -3.912  16.199  1.00 97.68           C  
+ATOM   5258  CG2 VAL B 869     -17.449  -4.460  14.804  1.00 97.68           C  
+ATOM   5259  N   SER B 870     -12.975  -3.310  13.742  1.00 96.95           N  
+ATOM   5260  CA  SER B 870     -11.522  -3.409  13.644  1.00 96.95           C  
+ATOM   5261  C   SER B 870     -10.858  -3.127  14.987  1.00 96.95           C  
+ATOM   5262  CB  SER B 870     -10.988  -2.440  12.588  1.00 96.95           C  
+ATOM   5263  O   SER B 870      -9.716  -3.531  15.218  1.00 96.95           O  
+ATOM   5264  OG  SER B 870     -11.379  -1.110  12.883  1.00 96.95           O  
+ATOM   5265  N   CYS B 871     -11.456  -2.409  15.851  1.00 97.48           N  
+ATOM   5266  CA  CYS B 871     -10.875  -2.071  17.146  1.00 97.48           C  
+ATOM   5267  C   CYS B 871     -11.963  -1.809  18.180  1.00 97.48           C  
+ATOM   5268  CB  CYS B 871      -9.970  -0.845  17.023  1.00 97.48           C  
+ATOM   5269  O   CYS B 871     -13.107  -1.522  17.825  1.00 97.48           O  
+ATOM   5270  SG  CYS B 871     -10.776   0.583  16.266  1.00 97.48           S  
+ATOM   5271  N   LEU B 872     -11.653  -2.052  19.424  1.00 97.66           N  
+ATOM   5272  CA  LEU B 872     -12.574  -1.774  20.520  1.00 97.66           C  
+ATOM   5273  C   LEU B 872     -11.812  -1.448  21.800  1.00 97.66           C  
+ATOM   5274  CB  LEU B 872     -13.503  -2.967  20.756  1.00 97.66           C  
+ATOM   5275  O   LEU B 872     -10.625  -1.763  21.919  1.00 97.66           O  
+ATOM   5276  CG  LEU B 872     -12.847  -4.244  21.284  1.00 97.66           C  
+ATOM   5277  CD1 LEU B 872     -12.695  -4.174  22.800  1.00 97.66           C  
+ATOM   5278  CD2 LEU B 872     -13.659  -5.470  20.879  1.00 97.66           C  
+ATOM   5279  N   GLY B 873     -12.483  -0.752  22.754  1.00 96.87           N  
+ATOM   5280  CA  GLY B 873     -11.908  -0.395  24.041  1.00 96.87           C  
+ATOM   5281  C   GLY B 873     -12.947   0.027  25.063  1.00 96.87           C  
+ATOM   5282  O   GLY B 873     -14.061   0.412  24.701  1.00 96.87           O  
+ATOM   5283  N   VAL B 874     -12.564  -0.211  26.317  1.00 97.17           N  
+ATOM   5284  CA  VAL B 874     -13.427   0.160  27.433  1.00 97.17           C  
+ATOM   5285  C   VAL B 874     -12.804   1.320  28.205  1.00 97.17           C  
+ATOM   5286  CB  VAL B 874     -13.678  -1.037  28.379  1.00 97.17           C  
+ATOM   5287  O   VAL B 874     -11.584   1.373  28.381  1.00 97.17           O  
+ATOM   5288  CG1 VAL B 874     -14.545  -0.616  29.564  1.00 97.17           C  
+ATOM   5289  CG2 VAL B 874     -14.330  -2.190  27.618  1.00 97.17           C  
+ATOM   5290  N   THR B 875     -13.598   2.300  28.568  1.00 95.57           N  
+ATOM   5291  CA  THR B 875     -13.097   3.445  29.319  1.00 95.57           C  
+ATOM   5292  C   THR B 875     -12.563   3.008  30.680  1.00 95.57           C  
+ATOM   5293  CB  THR B 875     -14.192   4.510  29.512  1.00 95.57           C  
+ATOM   5294  O   THR B 875     -13.009   1.999  31.232  1.00 95.57           O  
+ATOM   5295  CG2 THR B 875     -14.626   5.102  28.175  1.00 95.57           C  
+ATOM   5296  OG1 THR B 875     -15.328   3.909  30.146  1.00 95.57           O  
+ATOM   5297  N   ASP B 876     -11.670   3.753  31.226  1.00 91.89           N  
+ATOM   5298  CA  ASP B 876     -10.999   3.440  32.484  1.00 91.89           C  
+ATOM   5299  C   ASP B 876     -11.998   3.368  33.636  1.00 91.89           C  
+ATOM   5300  CB  ASP B 876      -9.918   4.479  32.788  1.00 91.89           C  
+ATOM   5301  O   ASP B 876     -11.792   2.624  34.598  1.00 91.89           O  
+ATOM   5302  CG  ASP B 876      -8.588   4.162  32.127  1.00 91.89           C  
+ATOM   5303  OD1 ASP B 876      -8.474   3.115  31.456  1.00 91.89           O  
+ATOM   5304  OD2 ASP B 876      -7.643   4.967  32.282  1.00 91.89           O  
+ATOM   5305  N   ASP B 877     -13.070   4.162  33.508  1.00 93.82           N  
+ATOM   5306  CA  ASP B 877     -14.063   4.144  34.578  1.00 93.82           C  
+ATOM   5307  C   ASP B 877     -15.079   3.024  34.366  1.00 93.82           C  
+ATOM   5308  CB  ASP B 877     -14.779   5.494  34.669  1.00 93.82           C  
+ATOM   5309  O   ASP B 877     -15.983   2.837  35.182  1.00 93.82           O  
+ATOM   5310  CG  ASP B 877     -15.532   5.852  33.400  1.00 93.82           C  
+ATOM   5311  OD1 ASP B 877     -15.535   5.046  32.444  1.00 93.82           O  
+ATOM   5312  OD2 ASP B 877     -16.126   6.951  33.354  1.00 93.82           O  
+ATOM   5313  N   GLY B 878     -15.040   2.365  33.155  1.00 94.00           N  
+ATOM   5314  CA  GLY B 878     -15.849   1.190  32.875  1.00 94.00           C  
+ATOM   5315  C   GLY B 878     -17.264   1.529  32.443  1.00 94.00           C  
+ATOM   5316  O   GLY B 878     -18.125   0.649  32.374  1.00 94.00           O  
+ATOM   5317  N   MET B 879     -17.531   2.715  32.098  1.00 93.18           N  
+ATOM   5318  CA  MET B 879     -18.899   3.170  31.867  1.00 93.18           C  
+ATOM   5319  C   MET B 879     -19.270   3.053  30.393  1.00 93.18           C  
+ATOM   5320  CB  MET B 879     -19.071   4.616  32.337  1.00 93.18           C  
+ATOM   5321  O   MET B 879     -20.453   3.005  30.048  1.00 93.18           O  
+ATOM   5322  CG  MET B 879     -19.038   4.777  33.848  1.00 93.18           C  
+ATOM   5323  SD  MET B 879     -20.367   3.829  34.686  1.00 93.18           S  
+ATOM   5324  CE  MET B 879     -20.041   4.279  36.413  1.00 93.18           C  
+ATOM   5325  N   ALA B 880     -18.274   2.962  29.558  1.00 95.12           N  
+ATOM   5326  CA  ALA B 880     -18.592   2.944  28.133  1.00 95.12           C  
+ATOM   5327  C   ALA B 880     -17.632   2.036  27.368  1.00 95.12           C  
+ATOM   5328  CB  ALA B 880     -18.551   4.359  27.560  1.00 95.12           C  
+ATOM   5329  O   ALA B 880     -16.502   1.808  27.806  1.00 95.12           O  
+ATOM   5330  N   VAL B 881     -18.188   1.514  26.271  1.00 97.20           N  
+ATOM   5331  CA  VAL B 881     -17.413   0.750  25.299  1.00 97.20           C  
+ATOM   5332  C   VAL B 881     -17.422   1.467  23.951  1.00 97.20           C  
+ATOM   5333  CB  VAL B 881     -17.957  -0.687  25.142  1.00 97.20           C  
+ATOM   5334  O   VAL B 881     -18.465   1.954  23.507  1.00 97.20           O  
+ATOM   5335  CG1 VAL B 881     -17.138  -1.466  24.114  1.00 97.20           C  
+ATOM   5336  CG2 VAL B 881     -17.955  -1.408  26.489  1.00 97.20           C  
+ATOM   5337  N   ALA B 882     -16.217   1.559  23.379  1.00 97.98           N  
+ATOM   5338  CA  ALA B 882     -16.127   2.126  22.036  1.00 97.98           C  
+ATOM   5339  C   ALA B 882     -15.704   1.068  21.021  1.00 97.98           C  
+ATOM   5340  CB  ALA B 882     -15.149   3.298  22.017  1.00 97.98           C  
+ATOM   5341  O   ALA B 882     -14.794   0.278  21.282  1.00 97.98           O  
+ATOM   5342  N   THR B 883     -16.417   1.085  19.893  1.00 98.48           N  
+ATOM   5343  CA  THR B 883     -16.036   0.221  18.781  1.00 98.48           C  
+ATOM   5344  C   THR B 883     -15.754   1.044  17.528  1.00 98.48           C  
+ATOM   5345  CB  THR B 883     -17.133  -0.818  18.480  1.00 98.48           C  
+ATOM   5346  O   THR B 883     -16.453   2.021  17.250  1.00 98.48           O  
+ATOM   5347  CG2 THR B 883     -17.375  -1.726  19.681  1.00 98.48           C  
+ATOM   5348  OG1 THR B 883     -18.351  -0.137  18.156  1.00 98.48           O  
+ATOM   5349  N   GLY B 884     -14.662   0.702  16.808  1.00 98.22           N  
+ATOM   5350  CA  GLY B 884     -14.325   1.265  15.511  1.00 98.22           C  
+ATOM   5351  C   GLY B 884     -14.454   0.266  14.376  1.00 98.22           C  
+ATOM   5352  O   GLY B 884     -14.136  -0.913  14.540  1.00 98.22           O  
+ATOM   5353  N   SER B 885     -14.843   0.807  13.160  1.00 98.28           N  
+ATOM   5354  CA  SER B 885     -15.163  -0.128  12.087  1.00 98.28           C  
+ATOM   5355  C   SER B 885     -14.670   0.387  10.739  1.00 98.28           C  
+ATOM   5356  CB  SER B 885     -16.671  -0.378  12.026  1.00 98.28           C  
+ATOM   5357  O   SER B 885     -14.395   1.579  10.587  1.00 98.28           O  
+ATOM   5358  OG  SER B 885     -17.005  -1.162  10.893  1.00 98.28           O  
+ATOM   5359  N   TRP B 886     -14.630  -0.511   9.832  1.00 96.60           N  
+ATOM   5360  CA  TRP B 886     -14.275  -0.180   8.456  1.00 96.60           C  
+ATOM   5361  C   TRP B 886     -15.418   0.550   7.759  1.00 96.60           C  
+ATOM   5362  CB  TRP B 886     -13.910  -1.446   7.675  1.00 96.60           C  
+ATOM   5363  O   TRP B 886     -15.282   0.976   6.610  1.00 96.60           O  
+ATOM   5364  CG  TRP B 886     -12.549  -1.987   7.994  1.00 96.60           C  
+ATOM   5365  CD1 TRP B 886     -11.737  -1.616   9.030  1.00 96.60           C  
+ATOM   5366  CD2 TRP B 886     -11.838  -2.995   7.269  1.00 96.60           C  
+ATOM   5367  CE2 TRP B 886     -10.601  -3.186   7.922  1.00 96.60           C  
+ATOM   5368  CE3 TRP B 886     -12.129  -3.757   6.129  1.00 96.60           C  
+ATOM   5369  NE1 TRP B 886     -10.564  -2.334   8.992  1.00 96.60           N  
+ATOM   5370  CH2 TRP B 886      -9.963  -4.841   6.354  1.00 96.60           C  
+ATOM   5371  CZ2 TRP B 886      -9.654  -4.109   7.472  1.00 96.60           C  
+ATOM   5372  CZ3 TRP B 886     -11.185  -4.675   5.683  1.00 96.60           C  
+ATOM   5373  N   ASP B 887     -16.474   0.729   8.438  1.00 95.38           N  
+ATOM   5374  CA  ASP B 887     -17.568   1.540   7.913  1.00 95.38           C  
+ATOM   5375  C   ASP B 887     -17.328   3.024   8.179  1.00 95.38           C  
+ATOM   5376  CB  ASP B 887     -18.901   1.105   8.526  1.00 95.38           C  
+ATOM   5377  O   ASP B 887     -18.215   3.851   7.959  1.00 95.38           O  
+ATOM   5378  CG  ASP B 887     -18.961   1.318  10.028  1.00 95.38           C  
+ATOM   5379  OD1 ASP B 887     -18.058   1.977  10.587  1.00 95.38           O  
+ATOM   5380  OD2 ASP B 887     -19.918   0.819  10.659  1.00 95.38           O  
+ATOM   5381  N   SER B 888     -16.252   3.368   8.718  1.00 96.00           N  
+ATOM   5382  CA  SER B 888     -15.727   4.713   8.927  1.00 96.00           C  
+ATOM   5383  C   SER B 888     -16.334   5.357  10.169  1.00 96.00           C  
+ATOM   5384  CB  SER B 888     -15.997   5.591   7.704  1.00 96.00           C  
+ATOM   5385  O   SER B 888     -16.247   6.573  10.351  1.00 96.00           O  
+ATOM   5386  OG  SER B 888     -15.472   4.995   6.531  1.00 96.00           O  
+ATOM   5387  N   PHE B 889     -17.004   4.543  11.019  1.00 97.06           N  
+ATOM   5388  CA  PHE B 889     -17.650   5.102  12.201  1.00 97.06           C  
+ATOM   5389  C   PHE B 889     -17.082   4.483  13.472  1.00 97.06           C  
+ATOM   5390  CB  PHE B 889     -19.165   4.883  12.141  1.00 97.06           C  
+ATOM   5391  O   PHE B 889     -16.646   3.330  13.466  1.00 97.06           O  
+ATOM   5392  CG  PHE B 889     -19.826   5.533  10.956  1.00 97.06           C  
+ATOM   5393  CD1 PHE B 889     -19.957   6.914  10.887  1.00 97.06           C  
+ATOM   5394  CD2 PHE B 889     -20.317   4.761   9.910  1.00 97.06           C  
+ATOM   5395  CE1 PHE B 889     -20.569   7.519   9.791  1.00 97.06           C  
+ATOM   5396  CE2 PHE B 889     -20.929   5.358   8.812  1.00 97.06           C  
+ATOM   5397  CZ  PHE B 889     -21.055   6.737   8.754  1.00 97.06           C  
+ATOM   5398  N   LEU B 890     -17.048   5.356  14.504  1.00 97.98           N  
+ATOM   5399  CA  LEU B 890     -16.897   4.873  15.873  1.00 97.98           C  
+ATOM   5400  C   LEU B 890     -18.230   4.909  16.612  1.00 97.98           C  
+ATOM   5401  CB  LEU B 890     -15.860   5.711  16.626  1.00 97.98           C  
+ATOM   5402  O   LEU B 890     -19.001   5.860  16.465  1.00 97.98           O  
+ATOM   5403  CG  LEU B 890     -14.407   5.557  16.174  1.00 97.98           C  
+ATOM   5404  CD1 LEU B 890     -13.963   6.786  15.388  1.00 97.98           C  
+ATOM   5405  CD2 LEU B 890     -13.495   5.327  17.375  1.00 97.98           C  
+ATOM   5406  N   LYS B 891     -18.493   3.874  17.366  1.00 97.87           N  
+ATOM   5407  CA  LYS B 891     -19.715   3.847  18.164  1.00 97.87           C  
+ATOM   5408  C   LYS B 891     -19.397   3.706  19.650  1.00 97.87           C  
+ATOM   5409  CB  LYS B 891     -20.626   2.706  17.712  1.00 97.87           C  
+ATOM   5410  O   LYS B 891     -18.513   2.936  20.031  1.00 97.87           O  
+ATOM   5411  CG  LYS B 891     -21.213   2.896  16.321  1.00 97.87           C  
+ATOM   5412  CD  LYS B 891     -22.212   1.797  15.981  1.00 97.87           C  
+ATOM   5413  CE  LYS B 891     -22.792   1.981  14.585  1.00 97.87           C  
+ATOM   5414  NZ  LYS B 891     -24.001   2.857  14.598  1.00 97.87           N  
+ATOM   5415  N   ILE B 892     -20.145   4.525  20.452  1.00 97.61           N  
+ATOM   5416  CA  ILE B 892     -20.037   4.451  21.905  1.00 97.61           C  
+ATOM   5417  C   ILE B 892     -21.255   3.730  22.476  1.00 97.61           C  
+ATOM   5418  CB  ILE B 892     -19.902   5.856  22.533  1.00 97.61           C  
+ATOM   5419  O   ILE B 892     -22.396   4.105  22.196  1.00 97.61           O  
+ATOM   5420  CG1 ILE B 892     -18.746   6.624  21.882  1.00 97.61           C  
+ATOM   5421  CG2 ILE B 892     -19.707   5.753  24.049  1.00 97.61           C  
+ATOM   5422  CD1 ILE B 892     -17.377   6.001  22.121  1.00 97.61           C  
+ATOM   5423  N   TRP B 893     -20.928   2.659  23.308  1.00 96.57           N  
+ATOM   5424  CA  TRP B 893     -21.978   1.817  23.873  1.00 96.57           C  
+ATOM   5425  C   TRP B 893     -22.065   1.996  25.385  1.00 96.57           C  
+ATOM   5426  CB  TRP B 893     -21.727   0.345  23.534  1.00 96.57           C  
+ATOM   5427  O   TRP B 893     -21.046   2.183  26.054  1.00 96.57           O  
+ATOM   5428  CG  TRP B 893     -21.350   0.105  22.103  1.00 96.57           C  
+ATOM   5429  CD1 TRP B 893     -20.123   0.298  21.531  1.00 96.57           C  
+ATOM   5430  CD2 TRP B 893     -22.208  -0.368  21.061  1.00 96.57           C  
+ATOM   5431  CE2 TRP B 893     -21.434  -0.440  19.882  1.00 96.57           C  
+ATOM   5432  CE3 TRP B 893     -23.558  -0.740  21.010  1.00 96.57           C  
+ATOM   5433  NE1 TRP B 893     -20.167  -0.029  20.195  1.00 96.57           N  
+ATOM   5434  CH2 TRP B 893     -23.290  -1.227  18.642  1.00 96.57           C  
+ATOM   5435  CZ2 TRP B 893     -21.967  -0.869  18.664  1.00 96.57           C  
+ATOM   5436  CZ3 TRP B 893     -24.087  -1.167  19.797  1.00 96.57           C  
+ATOM   5437  N   ASN B 894     -23.282   1.979  26.104  1.00 88.62           N  
+ATOM   5438  CA  ASN B 894     -23.526   1.944  27.542  1.00 88.62           C  
+ATOM   5439  C   ASN B 894     -24.754   1.103  27.881  1.00 88.62           C  
+ATOM   5440  CB  ASN B 894     -23.685   3.362  28.094  1.00 88.62           C  
+ATOM   5441  O   ASN B 894     -25.634   0.913  27.040  1.00 88.62           O  
+ATOM   5442  CG  ASN B 894     -24.921   4.061  27.563  1.00 88.62           C  
+ATOM   5443  ND2 ASN B 894     -25.050   5.348  27.863  1.00 88.62           N  
+ATOM   5444  OD1 ASN B 894     -25.754   3.449  26.888  1.00 88.62           O  
diff --git a/modules/core/test/input/1gp2/1gp2_AB_conf4.pdb b/modules/core/test/input/1gp2/1gp2_AB_conf4.pdb
new file mode 100644
index 0000000000..a4e074cfdf
--- /dev/null
+++ b/modules/core/test/input/1gp2/1gp2_AB_conf4.pdb
@@ -0,0 +1,5444 @@
+ATOM      1  N   MET A   1      50.646  17.785  -4.186  1.00 43.79           N  
+ATOM      2  CA  MET A   1      49.988  18.456  -5.303  1.00 43.79           C  
+ATOM      3  C   MET A   1      48.497  18.629  -5.032  1.00 43.79           C  
+ATOM      4  CB  MET A   1      50.197  17.672  -6.600  1.00 43.79           C  
+ATOM      5  O   MET A   1      47.776  17.646  -4.856  1.00 43.79           O  
+ATOM      6  CG  MET A   1      51.510  17.981  -7.299  1.00 43.79           C  
+ATOM      7  SD  MET A   1      51.391  17.822  -9.123  1.00 43.79           S  
+ATOM      8  CE  MET A   1      52.133  16.183  -9.351  1.00 43.79           C  
+ATOM      9  N   GLY A   2      48.134  19.491  -4.060  1.00 50.46           N  
+ATOM     10  CA  GLY A   2      46.947  20.065  -3.445  1.00 50.46           C  
+ATOM     11  C   GLY A   2      45.765  20.146  -4.391  1.00 50.46           C  
+ATOM     12  O   GLY A   2      45.872  20.717  -5.479  1.00 50.46           O  
+ATOM     13  N   CYS A   3      45.246  19.080  -5.040  1.00 50.08           N  
+ATOM     14  CA  CYS A   3      44.041  18.987  -5.858  1.00 50.08           C  
+ATOM     15  C   CYS A   3      42.982  19.974  -5.383  1.00 50.08           C  
+ATOM     16  CB  CYS A   3      43.479  17.567  -5.825  1.00 50.08           C  
+ATOM     17  O   CYS A   3      42.476  19.859  -4.265  1.00 50.08           O  
+ATOM     18  SG  CYS A   3      44.214  16.464  -7.052  1.00 50.08           S  
+ATOM     19  N   THR A   4      43.169  21.277  -5.575  1.00 60.55           N  
+ATOM     20  CA  THR A   4      42.155  22.313  -5.411  1.00 60.55           C  
+ATOM     21  C   THR A   4      40.866  21.928  -6.131  1.00 60.55           C  
+ATOM     22  CB  THR A   4      42.654  23.671  -5.938  1.00 60.55           C  
+ATOM     23  O   THR A   4      40.904  21.420  -7.253  1.00 60.55           O  
+ATOM     24  CG2 THR A   4      43.814  24.195  -5.097  1.00 60.55           C  
+ATOM     25  OG1 THR A   4      43.092  23.519  -7.294  1.00 60.55           O  
+ATOM     26  N   LEU A   5      39.846  21.397  -5.451  1.00 62.38           N  
+ATOM     27  CA  LEU A   5      38.476  21.202  -5.910  1.00 62.38           C  
+ATOM     28  C   LEU A   5      37.998  22.401  -6.722  1.00 62.38           C  
+ATOM     29  CB  LEU A   5      37.540  20.970  -4.721  1.00 62.38           C  
+ATOM     30  O   LEU A   5      38.384  23.539  -6.442  1.00 62.38           O  
+ATOM     31  CG  LEU A   5      37.626  19.600  -4.047  1.00 62.38           C  
+ATOM     32  CD1 LEU A   5      37.117  19.682  -2.612  1.00 62.38           C  
+ATOM     33  CD2 LEU A   5      36.840  18.562  -4.841  1.00 62.38           C  
+ATOM     34  N   SER A   6      37.523  22.209  -7.914  1.00 77.08           N  
+ATOM     35  CA  SER A   6      36.868  23.235  -8.718  1.00 77.08           C  
+ATOM     36  C   SER A   6      35.768  23.937  -7.929  1.00 77.08           C  
+ATOM     37  CB  SER A   6      36.283  22.626  -9.992  1.00 77.08           C  
+ATOM     38  O   SER A   6      35.316  23.432  -6.899  1.00 77.08           O  
+ATOM     39  OG  SER A   6      35.106  21.891  -9.704  1.00 77.08           O  
+ATOM     40  N   ALA A   7      35.490  25.230  -8.171  1.00 79.88           N  
+ATOM     41  CA  ALA A   7      34.426  26.018  -7.555  1.00 79.88           C  
+ATOM     42  C   ALA A   7      33.105  25.255  -7.560  1.00 79.88           C  
+ATOM     43  CB  ALA A   7      34.268  27.354  -8.276  1.00 79.88           C  
+ATOM     44  O   ALA A   7      32.357  25.288  -6.579  1.00 79.88           O  
+ATOM     45  N   GLU A   8      32.852  24.489  -8.643  1.00 75.19           N  
+ATOM     46  CA  GLU A   8      31.627  23.707  -8.779  1.00 75.19           C  
+ATOM     47  C   GLU A   8      31.610  22.534  -7.803  1.00 75.19           C  
+ATOM     48  CB  GLU A   8      31.469  23.199 -10.215  1.00 75.19           C  
+ATOM     49  O   GLU A   8      30.582  22.247  -7.187  1.00 75.19           O  
+ATOM     50  CG  GLU A   8      30.954  24.252 -11.186  1.00 75.19           C  
+ATOM     51  CD  GLU A   8      30.880  23.758 -12.622  1.00 75.19           C  
+ATOM     52  OE1 GLU A   8      30.544  24.559 -13.523  1.00 75.19           O  
+ATOM     53  OE2 GLU A   8      31.159  22.559 -12.848  1.00 75.19           O  
+ATOM     54  N   ASP A   9      32.731  21.886  -7.622  1.00 81.40           N  
+ATOM     55  CA  ASP A   9      32.863  20.746  -6.721  1.00 81.40           C  
+ATOM     56  C   ASP A   9      32.733  21.180  -5.263  1.00 81.40           C  
+ATOM     57  CB  ASP A   9      34.201  20.038  -6.942  1.00 81.40           C  
+ATOM     58  O   ASP A   9      32.115  20.484  -4.455  1.00 81.40           O  
+ATOM     59  CG  ASP A   9      34.239  19.228  -8.226  1.00 81.40           C  
+ATOM     60  OD1 ASP A   9      33.165  18.933  -8.792  1.00 81.40           O  
+ATOM     61  OD2 ASP A   9      35.353  18.879  -8.673  1.00 81.40           O  
+ATOM     62  N   LYS A  10      33.255  22.357  -4.973  1.00 85.60           N  
+ATOM     63  CA  LYS A  10      33.154  22.899  -3.620  1.00 85.60           C  
+ATOM     64  C   LYS A  10      31.708  23.235  -3.268  1.00 85.60           C  
+ATOM     65  CB  LYS A  10      34.032  24.143  -3.474  1.00 85.60           C  
+ATOM     66  O   LYS A  10      31.261  22.979  -2.149  1.00 85.60           O  
+ATOM     67  CG  LYS A  10      35.516  23.840  -3.329  1.00 85.60           C  
+ATOM     68  CD  LYS A  10      36.326  25.109  -3.100  1.00 85.60           C  
+ATOM     69  CE  LYS A  10      37.820  24.818  -3.046  1.00 85.60           C  
+ATOM     70  NZ  LYS A  10      38.621  26.066  -2.868  1.00 85.60           N  
+ATOM     71  N   ALA A  11      30.982  23.814  -4.255  1.00 85.23           N  
+ATOM     72  CA  ALA A  11      29.576  24.158  -4.062  1.00 85.23           C  
+ATOM     73  C   ALA A  11      28.731  22.908  -3.834  1.00 85.23           C  
+ATOM     74  CB  ALA A  11      29.049  24.941  -5.262  1.00 85.23           C  
+ATOM     75  O   ALA A  11      27.831  22.904  -2.992  1.00 85.23           O  
+ATOM     76  N   ALA A  12      29.070  21.820  -4.541  1.00 85.18           N  
+ATOM     77  CA  ALA A  12      28.352  20.554  -4.421  1.00 85.18           C  
+ATOM     78  C   ALA A  12      28.556  19.936  -3.041  1.00 85.18           C  
+ATOM     79  CB  ALA A  12      28.802  19.582  -5.509  1.00 85.18           C  
+ATOM     80  O   ALA A  12      27.610  19.428  -2.435  1.00 85.18           O  
+ATOM     81  N   VAL A  13      29.741  19.961  -2.573  1.00 88.08           N  
+ATOM     82  CA  VAL A  13      30.076  19.428  -1.257  1.00 88.08           C  
+ATOM     83  C   VAL A  13      29.363  20.235  -0.175  1.00 88.08           C  
+ATOM     84  CB  VAL A  13      31.602  19.439  -1.012  1.00 88.08           C  
+ATOM     85  O   VAL A  13      28.824  19.667   0.778  1.00 88.08           O  
+ATOM     86  CG1 VAL A  13      31.919  19.069   0.436  1.00 88.08           C  
+ATOM     87  CG2 VAL A  13      32.304  18.484  -1.976  1.00 88.08           C  
+ATOM     88  N   GLU A  14      29.365  21.583  -0.298  1.00 88.86           N  
+ATOM     89  CA  GLU A  14      28.698  22.450   0.669  1.00 88.86           C  
+ATOM     90  C   GLU A  14      27.194  22.192   0.696  1.00 88.86           C  
+ATOM     91  CB  GLU A  14      28.973  23.922   0.351  1.00 88.86           C  
+ATOM     92  O   GLU A  14      26.583  22.160   1.766  1.00 88.86           O  
+ATOM     93  CG  GLU A  14      30.352  24.397   0.786  1.00 88.86           C  
+ATOM     94  CD  GLU A  14      30.588  25.875   0.522  1.00 88.86           C  
+ATOM     95  OE1 GLU A  14      31.666  26.394   0.892  1.00 88.86           O  
+ATOM     96  OE2 GLU A  14      29.688  26.521  -0.060  1.00 88.86           O  
+ATOM     97  N   ARG A  15      26.684  22.027  -0.492  1.00 87.74           N  
+ATOM     98  CA  ARG A  15      25.265  21.698  -0.586  1.00 87.74           C  
+ATOM     99  C   ARG A  15      24.961  20.380   0.118  1.00 87.74           C  
+ATOM    100  CB  ARG A  15      24.826  21.624  -2.050  1.00 87.74           C  
+ATOM    101  O   ARG A  15      23.968  20.271   0.841  1.00 87.74           O  
+ATOM    102  CG  ARG A  15      23.319  21.547  -2.237  1.00 87.74           C  
+ATOM    103  CD  ARG A  15      22.936  21.493  -3.710  1.00 87.74           C  
+ATOM    104  NE  ARG A  15      23.622  22.524  -4.483  1.00 87.74           N  
+ATOM    105  NH1 ARG A  15      22.159  22.448  -6.270  1.00 87.74           N  
+ATOM    106  NH2 ARG A  15      23.935  23.897  -6.297  1.00 87.74           N  
+ATOM    107  CZ  ARG A  15      23.237  22.954  -5.682  1.00 87.74           C  
+ATOM    108  N   SER A  16      25.745  19.388  -0.151  1.00 89.93           N  
+ATOM    109  CA  SER A  16      25.584  18.073   0.461  1.00 89.93           C  
+ATOM    110  C   SER A  16      25.694  18.152   1.980  1.00 89.93           C  
+ATOM    111  CB  SER A  16      26.628  17.097  -0.083  1.00 89.93           C  
+ATOM    112  O   SER A  16      24.929  17.504   2.698  1.00 89.93           O  
+ATOM    113  OG  SER A  16      26.438  15.802   0.462  1.00 89.93           O  
+ATOM    114  N   LYS A  17      26.603  18.925   2.514  1.00 90.62           N  
+ATOM    115  CA  LYS A  17      26.760  19.108   3.954  1.00 90.62           C  
+ATOM    116  C   LYS A  17      25.523  19.761   4.564  1.00 90.62           C  
+ATOM    117  CB  LYS A  17      28.000  19.951   4.257  1.00 90.62           C  
+ATOM    118  O   LYS A  17      25.104  19.401   5.666  1.00 90.62           O  
+ATOM    119  CG  LYS A  17      29.313  19.195   4.114  1.00 90.62           C  
+ATOM    120  CD  LYS A  17      30.502  20.061   4.506  1.00 90.62           C  
+ATOM    121  CE  LYS A  17      31.820  19.321   4.321  1.00 90.62           C  
+ATOM    122  NZ  LYS A  17      32.993  20.192   4.628  1.00 90.62           N  
+ATOM    123  N   MET A  18      25.013  20.760   3.835  1.00 89.28           N  
+ATOM    124  CA  MET A  18      23.792  21.417   4.291  1.00 89.28           C  
+ATOM    125  C   MET A  18      22.640  20.422   4.384  1.00 89.28           C  
+ATOM    126  CB  MET A  18      23.417  22.566   3.353  1.00 89.28           C  
+ATOM    127  O   MET A  18      21.877  20.438   5.351  1.00 89.28           O  
+ATOM    128  CG  MET A  18      22.294  23.445   3.879  1.00 89.28           C  
+ATOM    129  SD  MET A  18      21.956  24.881   2.788  1.00 89.28           S  
+ATOM    130  CE  MET A  18      21.094  24.051   1.425  1.00 89.28           C  
+ATOM    131  N   ILE A  19      22.546  19.547   3.410  1.00 88.50           N  
+ATOM    132  CA  ILE A  19      21.513  18.518   3.384  1.00 88.50           C  
+ATOM    133  C   ILE A  19      21.696  17.573   4.569  1.00 88.50           C  
+ATOM    134  CB  ILE A  19      21.536  17.726   2.058  1.00 88.50           C  
+ATOM    135  O   ILE A  19      20.724  17.204   5.233  1.00 88.50           O  
+ATOM    136  CG1 ILE A  19      21.133  18.631   0.888  1.00 88.50           C  
+ATOM    137  CG2 ILE A  19      20.621  16.502   2.144  1.00 88.50           C  
+ATOM    138  CD1 ILE A  19      21.287  17.981  -0.480  1.00 88.50           C  
+ATOM    139  N   ASP A  20      22.888  17.248   4.837  1.00 89.81           N  
+ATOM    140  CA  ASP A  20      23.188  16.378   5.970  1.00 89.81           C  
+ATOM    141  C   ASP A  20      22.749  17.018   7.285  1.00 89.81           C  
+ATOM    142  CB  ASP A  20      24.682  16.052   6.016  1.00 89.81           C  
+ATOM    143  O   ASP A  20      22.206  16.341   8.160  1.00 89.81           O  
+ATOM    144  CG  ASP A  20      25.078  14.949   5.050  1.00 89.81           C  
+ATOM    145  OD1 ASP A  20      24.214  14.129   4.673  1.00 89.81           O  
+ATOM    146  OD2 ASP A  20      26.266  14.897   4.666  1.00 89.81           O  
+ATOM    147  N   ARG A  21      23.046  18.283   7.417  1.00 88.67           N  
+ATOM    148  CA  ARG A  21      22.644  19.014   8.615  1.00 88.67           C  
+ATOM    149  C   ARG A  21      21.127  19.012   8.774  1.00 88.67           C  
+ATOM    150  CB  ARG A  21      23.164  20.452   8.567  1.00 88.67           C  
+ATOM    151  O   ARG A  21      20.613  18.762   9.866  1.00 88.67           O  
+ATOM    152  CG  ARG A  21      22.960  21.224   9.861  1.00 88.67           C  
+ATOM    153  CD  ARG A  21      23.515  22.639   9.767  1.00 88.67           C  
+ATOM    154  NE  ARG A  21      22.670  23.597  10.475  1.00 88.67           N  
+ATOM    155  NH1 ARG A  21      23.926  25.447   9.893  1.00 88.67           N  
+ATOM    156  NH2 ARG A  21      22.053  25.689  11.192  1.00 88.67           N  
+ATOM    157  CZ  ARG A  21      22.885  24.909  10.519  1.00 88.67           C  
+ATOM    158  N   ASN A  22      20.459  19.224   7.640  1.00 86.57           N  
+ATOM    159  CA  ASN A  22      19.000  19.223   7.665  1.00 86.57           C  
+ATOM    160  C   ASN A  22      18.447  17.850   8.035  1.00 86.57           C  
+ATOM    161  CB  ASN A  22      18.439  19.675   6.315  1.00 86.57           C  
+ATOM    162  O   ASN A  22      17.482  17.749   8.795  1.00 86.57           O  
+ATOM    163  CG  ASN A  22      18.598  21.165   6.086  1.00 86.57           C  
+ATOM    164  ND2 ASN A  22      18.447  21.592   4.838  1.00 86.57           N  
+ATOM    165  OD1 ASN A  22      18.856  21.926   7.022  1.00 86.57           O  
+ATOM    166  N   LEU A  23      19.068  16.836   7.464  1.00 85.47           N  
+ATOM    167  CA  LEU A  23      18.643  15.469   7.747  1.00 85.47           C  
+ATOM    168  C   LEU A  23      18.847  15.131   9.220  1.00 85.47           C  
+ATOM    169  CB  LEU A  23      19.414  14.477   6.872  1.00 85.47           C  
+ATOM    170  O   LEU A  23      18.006  14.468   9.831  1.00 85.47           O  
+ATOM    171  CG  LEU A  23      19.069  14.477   5.382  1.00 85.47           C  
+ATOM    172  CD1 LEU A  23      19.998  13.535   4.623  1.00 85.47           C  
+ATOM    173  CD2 LEU A  23      17.611  14.083   5.171  1.00 85.47           C  
+ATOM    174  N   ARG A  24      19.935  15.598   9.741  1.00 83.76           N  
+ATOM    175  CA  ARG A  24      20.232  15.373  11.152  1.00 83.76           C  
+ATOM    176  C   ARG A  24      19.212  16.073  12.044  1.00 83.76           C  
+ATOM    177  CB  ARG A  24      21.643  15.858  11.490  1.00 83.76           C  
+ATOM    178  O   ARG A  24      18.729  15.492  13.018  1.00 83.76           O  
+ATOM    179  CG  ARG A  24      22.105  15.485  12.889  1.00 83.76           C  
+ATOM    180  CD  ARG A  24      23.529  15.951  13.157  1.00 83.76           C  
+ATOM    181  NE  ARG A  24      23.936  15.679  14.532  1.00 83.76           N  
+ATOM    182  NH1 ARG A  24      26.103  16.431  14.259  1.00 83.76           N  
+ATOM    183  NH2 ARG A  24      25.412  15.628  16.291  1.00 83.76           N  
+ATOM    184  CZ  ARG A  24      25.150  15.913  15.024  1.00 83.76           C  
+ATOM    185  N   GLU A  25      18.927  17.343  11.722  1.00 82.92           N  
+ATOM    186  CA  GLU A  25      17.918  18.094  12.463  1.00 82.92           C  
+ATOM    187  C   GLU A  25      16.560  17.401  12.403  1.00 82.92           C  
+ATOM    188  CB  GLU A  25      17.805  19.522  11.923  1.00 82.92           C  
+ATOM    189  O   GLU A  25      15.861  17.304  13.414  1.00 82.92           O  
+ATOM    190  CG  GLU A  25      18.987  20.411  12.281  1.00 82.92           C  
+ATOM    191  CD  GLU A  25      18.899  21.800  11.671  1.00 82.92           C  
+ATOM    192  OE1 GLU A  25      19.827  22.615  11.879  1.00 82.92           O  
+ATOM    193  OE2 GLU A  25      17.894  22.078  10.979  1.00 82.92           O  
+ATOM    194  N   ASP A  26      16.258  16.913  11.171  1.00 78.62           N  
+ATOM    195  CA  ASP A  26      15.006  16.184  10.999  1.00 78.62           C  
+ATOM    196  C   ASP A  26      15.003  14.896  11.819  1.00 78.62           C  
+ATOM    197  CB  ASP A  26      14.768  15.866   9.521  1.00 78.62           C  
+ATOM    198  O   ASP A  26      13.972  14.510  12.375  1.00 78.62           O  
+ATOM    199  CG  ASP A  26      14.378  17.088   8.707  1.00 78.62           C  
+ATOM    200  OD1 ASP A  26      14.083  18.147   9.301  1.00 78.62           O  
+ATOM    201  OD2 ASP A  26      14.362  16.989   7.461  1.00 78.62           O  
+ATOM    202  N   GLY A  27      16.150  14.298  11.814  1.00 74.51           N  
+ATOM    203  CA  GLY A  27      16.295  13.091  12.611  1.00 74.51           C  
+ATOM    204  C   GLY A  27      16.101  13.330  14.097  1.00 74.51           C  
+ATOM    205  O   GLY A  27      15.447  12.538  14.778  1.00 74.51           O  
+ATOM    206  N   GLU A  28      16.641  14.427  14.609  1.00 74.05           N  
+ATOM    207  CA  GLU A  28      16.479  14.790  16.014  1.00 74.05           C  
+ATOM    208  C   GLU A  28      15.021  15.106  16.337  1.00 74.05           C  
+ATOM    209  CB  GLU A  28      17.367  15.986  16.366  1.00 74.05           C  
+ATOM    210  O   GLU A  28      14.516  14.719  17.392  1.00 74.05           O  
+ATOM    211  CG  GLU A  28      18.852  15.658  16.410  1.00 74.05           C  
+ATOM    212  CD  GLU A  28      19.729  16.876  16.649  1.00 74.05           C  
+ATOM    213  OE1 GLU A  28      20.966  16.720  16.766  1.00 74.05           O  
+ATOM    214  OE2 GLU A  28      19.175  17.996  16.721  1.00 74.05           O  
+ATOM    215  N   LYS A  29      14.425  15.820  15.390  1.00 73.02           N  
+ATOM    216  CA  LYS A  29      13.005  16.119  15.555  1.00 73.02           C  
+ATOM    217  C   LYS A  29      12.173  14.840  15.575  1.00 73.02           C  
+ATOM    218  CB  LYS A  29      12.517  17.044  14.439  1.00 73.02           C  
+ATOM    219  O   LYS A  29      11.247  14.708  16.378  1.00 73.02           O  
+ATOM    220  CG  LYS A  29      12.922  18.499  14.620  1.00 73.02           C  
+ATOM    221  CD  LYS A  29      12.342  19.382  13.522  1.00 73.02           C  
+ATOM    222  CE  LYS A  29      12.846  20.814  13.631  1.00 73.02           C  
+ATOM    223  NZ  LYS A  29      12.287  21.682  12.551  1.00 73.02           N  
+ATOM    224  N   ALA A  30      12.561  13.927  14.653  1.00 70.67           N  
+ATOM    225  CA  ALA A  30      11.855  12.652  14.566  1.00 70.67           C  
+ATOM    226  C   ALA A  30      12.026  11.841  15.847  1.00 70.67           C  
+ATOM    227  CB  ALA A  30      12.349  11.851  13.363  1.00 70.67           C  
+ATOM    228  O   ALA A  30      11.114  11.120  16.259  1.00 70.67           O  
+ATOM    229  N   ALA A  31      13.182  11.996  16.453  1.00 68.60           N  
+ATOM    230  CA  ALA A  31      13.485  11.267  17.682  1.00 68.60           C  
+ATOM    231  C   ALA A  31      12.622  11.761  18.840  1.00 68.60           C  
+ATOM    232  CB  ALA A  31      14.965  11.403  18.030  1.00 68.60           C  
+ATOM    233  O   ALA A  31      12.349  11.013  19.781  1.00 68.60           O  
+ATOM    234  N   ARG A  32      12.173  13.062  18.703  1.00 73.22           N  
+ATOM    235  CA  ARG A  32      11.355  13.626  19.772  1.00 73.22           C  
+ATOM    236  C   ARG A  32       9.876  13.336  19.541  1.00 73.22           C  
+ATOM    237  CB  ARG A  32      11.581  15.136  19.883  1.00 73.22           C  
+ATOM    238  O   ARG A  32       9.041  13.615  20.404  1.00 73.22           O  
+ATOM    239  CG  ARG A  32      12.929  15.514  20.477  1.00 73.22           C  
+ATOM    240  CD  ARG A  32      13.082  17.023  20.613  1.00 73.22           C  
+ATOM    241  NE  ARG A  32      14.391  17.386  21.146  1.00 73.22           N  
+ATOM    242  NH1 ARG A  32      14.083  19.664  20.914  1.00 73.22           N  
+ATOM    243  NH2 ARG A  32      16.046  18.849  21.774  1.00 73.22           N  
+ATOM    244  CZ  ARG A  32      14.837  18.632  21.277  1.00 73.22           C  
+ATOM    245  N   GLU A  33       9.657  12.680  18.375  1.00 81.12           N  
+ATOM    246  CA  GLU A  33       8.283  12.412  17.964  1.00 81.12           C  
+ATOM    247  C   GLU A  33       7.762  11.120  18.587  1.00 81.12           C  
+ATOM    248  CB  GLU A  33       8.183  12.338  16.438  1.00 81.12           C  
+ATOM    249  O   GLU A  33       8.504  10.143  18.714  1.00 81.12           O  
+ATOM    250  CG  GLU A  33       8.104  13.698  15.760  1.00 81.12           C  
+ATOM    251  CD  GLU A  33       7.942  13.607  14.251  1.00 81.12           C  
+ATOM    252  OE1 GLU A  33       7.936  14.662  13.576  1.00 81.12           O  
+ATOM    253  OE2 GLU A  33       7.820  12.472  13.738  1.00 81.12           O  
+ATOM    254  N   VAL A  34       6.504  11.100  19.057  1.00 86.53           N  
+ATOM    255  CA  VAL A  34       5.836   9.919  19.592  1.00 86.53           C  
+ATOM    256  C   VAL A  34       5.021   9.243  18.492  1.00 86.53           C  
+ATOM    257  CB  VAL A  34       4.924  10.275  20.788  1.00 86.53           C  
+ATOM    258  O   VAL A  34       4.084   9.835  17.952  1.00 86.53           O  
+ATOM    259  CG1 VAL A  34       4.225   9.027  21.324  1.00 86.53           C  
+ATOM    260  CG2 VAL A  34       5.733  10.954  21.891  1.00 86.53           C  
+ATOM    261  N   LYS A  35       5.477   8.037  18.168  1.00 89.33           N  
+ATOM    262  CA  LYS A  35       4.794   7.276  17.126  1.00 89.33           C  
+ATOM    263  C   LYS A  35       3.770   6.317  17.727  1.00 89.33           C  
+ATOM    264  CB  LYS A  35       5.803   6.500  16.278  1.00 89.33           C  
+ATOM    265  O   LYS A  35       4.130   5.407  18.477  1.00 89.33           O  
+ATOM    266  CG  LYS A  35       6.691   7.382  15.412  1.00 89.33           C  
+ATOM    267  CD  LYS A  35       7.596   6.551  14.511  1.00 89.33           C  
+ATOM    268  CE  LYS A  35       8.508   7.431  13.668  1.00 89.33           C  
+ATOM    269  NZ  LYS A  35       9.391   6.621  12.777  1.00 89.33           N  
+ATOM    270  N   LEU A  36       2.454   6.569  17.379  1.00 92.40           N  
+ATOM    271  CA  LEU A  36       1.366   5.720  17.852  1.00 92.40           C  
+ATOM    272  C   LEU A  36       0.833   4.841  16.725  1.00 92.40           C  
+ATOM    273  CB  LEU A  36       0.233   6.573  18.429  1.00 92.40           C  
+ATOM    274  O   LEU A  36       0.487   5.342  15.653  1.00 92.40           O  
+ATOM    275  CG  LEU A  36       0.593   7.462  19.620  1.00 92.40           C  
+ATOM    276  CD1 LEU A  36      -0.607   8.309  20.032  1.00 92.40           C  
+ATOM    277  CD2 LEU A  36       1.084   6.617  20.791  1.00 92.40           C  
+ATOM    278  N   LEU A  37       0.843   3.585  16.969  1.00 94.90           N  
+ATOM    279  CA  LEU A  37       0.348   2.633  15.981  1.00 94.90           C  
+ATOM    280  C   LEU A  37      -0.979   2.027  16.427  1.00 94.90           C  
+ATOM    281  CB  LEU A  37       1.375   1.522  15.745  1.00 94.90           C  
+ATOM    282  O   LEU A  37      -1.064   1.432  17.504  1.00 94.90           O  
+ATOM    283  CG  LEU A  37       0.996   0.455  14.717  1.00 94.90           C  
+ATOM    284  CD1 LEU A  37       0.784   1.090  13.347  1.00 94.90           C  
+ATOM    285  CD2 LEU A  37       2.066  -0.628  14.651  1.00 94.90           C  
+ATOM    286  N   LEU A  38      -2.059   2.241  15.554  1.00 95.87           N  
+ATOM    287  CA  LEU A  38      -3.370   1.674  15.846  1.00 95.87           C  
+ATOM    288  C   LEU A  38      -3.552   0.334  15.142  1.00 95.87           C  
+ATOM    289  CB  LEU A  38      -4.479   2.641  15.424  1.00 95.87           C  
+ATOM    290  O   LEU A  38      -3.469   0.257  13.914  1.00 95.87           O  
+ATOM    291  CG  LEU A  38      -4.590   3.938  16.226  1.00 95.87           C  
+ATOM    292  CD1 LEU A  38      -5.148   5.056  15.352  1.00 95.87           C  
+ATOM    293  CD2 LEU A  38      -5.461   3.731  17.460  1.00 95.87           C  
+ATOM    294  N   LEU A  39      -3.737  -0.678  15.971  1.00 96.46           N  
+ATOM    295  CA  LEU A  39      -3.918  -2.020  15.428  1.00 96.46           C  
+ATOM    296  C   LEU A  39      -5.217  -2.639  15.932  1.00 96.46           C  
+ATOM    297  CB  LEU A  39      -2.733  -2.914  15.804  1.00 96.46           C  
+ATOM    298  O   LEU A  39      -5.775  -2.191  16.936  1.00 96.46           O  
+ATOM    299  CG  LEU A  39      -1.379  -2.534  15.203  1.00 96.46           C  
+ATOM    300  CD1 LEU A  39      -0.268  -3.367  15.831  1.00 96.46           C  
+ATOM    301  CD2 LEU A  39      -1.397  -2.712  13.688  1.00 96.46           C  
+ATOM    302  N   GLY A  40      -5.766  -3.585  15.252  1.00 95.93           N  
+ATOM    303  CA  GLY A  40      -6.958  -4.327  15.632  1.00 95.93           C  
+ATOM    304  C   GLY A  40      -7.684  -4.936  14.447  1.00 95.93           C  
+ATOM    305  O   GLY A  40      -7.324  -4.684  13.295  1.00 95.93           O  
+ATOM    306  N   ALA A  41      -8.584  -5.756  14.780  1.00 93.12           N  
+ATOM    307  CA  ALA A  41      -9.401  -6.373  13.738  1.00 93.12           C  
+ATOM    308  C   ALA A  41     -10.252  -5.331  13.019  1.00 93.12           C  
+ATOM    309  CB  ALA A  41     -10.289  -7.463  14.333  1.00 93.12           C  
+ATOM    310  O   ALA A  41     -10.397  -4.203  13.495  1.00 93.12           O  
+ATOM    311  N   GLY A  42     -10.663  -5.692  11.794  1.00 90.06           N  
+ATOM    312  CA  GLY A  42     -11.560  -4.791  11.088  1.00 90.06           C  
+ATOM    313  C   GLY A  42     -12.788  -4.417  11.896  1.00 90.06           C  
+ATOM    314  O   GLY A  42     -13.267  -5.210  12.710  1.00 90.06           O  
+ATOM    315  N   GLU A  43     -13.184  -3.181  11.817  1.00 90.62           N  
+ATOM    316  CA  GLU A  43     -14.398  -2.631  12.412  1.00 90.62           C  
+ATOM    317  C   GLU A  43     -14.276  -2.540  13.931  1.00 90.62           C  
+ATOM    318  CB  GLU A  43     -15.615  -3.479  12.032  1.00 90.62           C  
+ATOM    319  O   GLU A  43     -15.271  -2.668  14.647  1.00 90.62           O  
+ATOM    320  CG  GLU A  43     -15.936  -3.461  10.545  1.00 90.62           C  
+ATOM    321  CD  GLU A  43     -17.186  -4.251  10.192  1.00 90.62           C  
+ATOM    322  OE1 GLU A  43     -17.807  -3.969   9.142  1.00 90.62           O  
+ATOM    323  OE2 GLU A  43     -17.549  -5.160  10.973  1.00 90.62           O  
+ATOM    324  N   SER A  44     -13.148  -2.479  14.475  1.00 95.12           N  
+ATOM    325  CA  SER A  44     -12.910  -2.407  15.913  1.00 95.12           C  
+ATOM    326  C   SER A  44     -12.998  -0.971  16.416  1.00 95.12           C  
+ATOM    327  CB  SER A  44     -11.542  -2.995  16.261  1.00 95.12           C  
+ATOM    328  O   SER A  44     -13.088  -0.735  17.623  1.00 95.12           O  
+ATOM    329  OG  SER A  44     -10.512  -2.326  15.554  1.00 95.12           O  
+ATOM    330  N   GLY A  45     -12.911   0.045  15.480  1.00 93.82           N  
+ATOM    331  CA  GLY A  45     -13.064   1.446  15.837  1.00 93.82           C  
+ATOM    332  C   GLY A  45     -11.763   2.223  15.778  1.00 93.82           C  
+ATOM    333  O   GLY A  45     -11.620   3.257  16.434  1.00 93.82           O  
+ATOM    334  N   LYS A  46     -10.761   1.757  14.983  1.00 94.55           N  
+ATOM    335  CA  LYS A  46      -9.457   2.405  14.870  1.00 94.55           C  
+ATOM    336  C   LYS A  46      -9.574   3.757  14.173  1.00 94.55           C  
+ATOM    337  CB  LYS A  46      -8.476   1.508  14.113  1.00 94.55           C  
+ATOM    338  O   LYS A  46      -9.095   4.770  14.687  1.00 94.55           O  
+ATOM    339  CG  LYS A  46      -8.230   0.162  14.777  1.00 94.55           C  
+ATOM    340  CD  LYS A  46      -7.186  -0.651  14.021  1.00 94.55           C  
+ATOM    341  CE  LYS A  46      -7.655  -0.994  12.614  1.00 94.55           C  
+ATOM    342  NZ  LYS A  46      -8.941  -1.752  12.627  1.00 94.55           N  
+ATOM    343  N   SER A  47     -10.221   3.716  13.077  1.00 94.23           N  
+ATOM    344  CA  SER A  47     -10.347   4.926  12.271  1.00 94.23           C  
+ATOM    345  C   SER A  47     -11.165   5.990  12.995  1.00 94.23           C  
+ATOM    346  CB  SER A  47     -10.992   4.606  10.922  1.00 94.23           C  
+ATOM    347  O   SER A  47     -10.915   7.187  12.838  1.00 94.23           O  
+ATOM    348  OG  SER A  47     -10.174   3.728  10.168  1.00 94.23           O  
+ATOM    349  N   THR A  48     -12.033   5.507  13.804  1.00 94.56           N  
+ATOM    350  CA  THR A  48     -12.853   6.432  14.577  1.00 94.56           C  
+ATOM    351  C   THR A  48     -12.013   7.151  15.629  1.00 94.56           C  
+ATOM    352  CB  THR A  48     -14.024   5.703  15.263  1.00 94.56           C  
+ATOM    353  O   THR A  48     -12.194   8.347  15.865  1.00 94.56           O  
+ATOM    354  CG2 THR A  48     -14.961   6.690  15.949  1.00 94.56           C  
+ATOM    355  OG1 THR A  48     -14.761   4.965  14.280  1.00 94.56           O  
+ATOM    356  N   ILE A  49     -11.066   6.464  16.185  1.00 94.26           N  
+ATOM    357  CA  ILE A  49     -10.150   7.049  17.158  1.00 94.26           C  
+ATOM    358  C   ILE A  49      -9.314   8.138  16.490  1.00 94.26           C  
+ATOM    359  CB  ILE A  49      -9.230   5.976  17.784  1.00 94.26           C  
+ATOM    360  O   ILE A  49      -9.080   9.197  17.077  1.00 94.26           O  
+ATOM    361  CG1 ILE A  49     -10.047   5.017  18.658  1.00 94.26           C  
+ATOM    362  CG2 ILE A  49      -8.108   6.633  18.593  1.00 94.26           C  
+ATOM    363  CD1 ILE A  49     -10.684   5.676  19.873  1.00 94.26           C  
+ATOM    364  N   VAL A  50      -8.916   7.895  15.267  1.00 92.46           N  
+ATOM    365  CA  VAL A  50      -8.114   8.860  14.523  1.00 92.46           C  
+ATOM    366  C   VAL A  50      -8.933  10.122  14.263  1.00 92.46           C  
+ATOM    367  CB  VAL A  50      -7.607   8.269  13.189  1.00 92.46           C  
+ATOM    368  O   VAL A  50      -8.431  11.238  14.415  1.00 92.46           O  
+ATOM    369  CG1 VAL A  50      -6.934   9.346  12.341  1.00 92.46           C  
+ATOM    370  CG2 VAL A  50      -6.645   7.111  13.450  1.00 92.46           C  
+ATOM    371  N   LYS A  51     -10.159   9.961  13.885  1.00 93.20           N  
+ATOM    372  CA  LYS A  51     -11.046  11.098  13.651  1.00 93.20           C  
+ATOM    373  C   LYS A  51     -11.210  11.936  14.915  1.00 93.20           C  
+ATOM    374  CB  LYS A  51     -12.413  10.620  13.159  1.00 93.20           C  
+ATOM    375  O   LYS A  51     -11.280  13.165  14.847  1.00 93.20           O  
+ATOM    376  CG  LYS A  51     -12.402  10.072  11.739  1.00 93.20           C  
+ATOM    377  CD  LYS A  51     -13.773   9.545  11.333  1.00 93.20           C  
+ATOM    378  CE  LYS A  51     -13.739   8.902   9.954  1.00 93.20           C  
+ATOM    379  NZ  LYS A  51     -15.047   8.271   9.604  1.00 93.20           N  
+ATOM    380  N   GLN A  52     -11.193  11.260  16.061  1.00 93.95           N  
+ATOM    381  CA  GLN A  52     -11.348  11.953  17.336  1.00 93.95           C  
+ATOM    382  C   GLN A  52     -10.150  12.853  17.622  1.00 93.95           C  
+ATOM    383  CB  GLN A  52     -11.535  10.948  18.474  1.00 93.95           C  
+ATOM    384  O   GLN A  52     -10.292  13.903  18.252  1.00 93.95           O  
+ATOM    385  CG  GLN A  52     -12.903  10.280  18.486  1.00 93.95           C  
+ATOM    386  CD  GLN A  52     -14.007  11.210  18.953  1.00 93.95           C  
+ATOM    387  NE2 GLN A  52     -15.145  10.638  19.329  1.00 93.95           N  
+ATOM    388  OE1 GLN A  52     -13.837  12.433  18.975  1.00 93.95           O  
+ATOM    389  N   MET A  53      -9.015  12.427  17.099  1.00 91.19           N  
+ATOM    390  CA  MET A  53      -7.817  13.231  17.319  1.00 91.19           C  
+ATOM    391  C   MET A  53      -7.930  14.580  16.616  1.00 91.19           C  
+ATOM    392  CB  MET A  53      -6.572  12.489  16.829  1.00 91.19           C  
+ATOM    393  O   MET A  53      -7.449  15.593  17.127  1.00 91.19           O  
+ATOM    394  CG  MET A  53      -6.231  11.256  17.650  1.00 91.19           C  
+ATOM    395  SD  MET A  53      -5.979  11.642  19.426  1.00 91.19           S  
+ATOM    396  CE  MET A  53      -7.593  11.149  20.093  1.00 91.19           C  
+ATOM    397  N   LYS A  54      -8.549  14.516  15.492  1.00 89.56           N  
+ATOM    398  CA  LYS A  54      -8.781  15.753  14.752  1.00 89.56           C  
+ATOM    399  C   LYS A  54      -9.752  16.665  15.496  1.00 89.56           C  
+ATOM    400  CB  LYS A  54      -9.316  15.449  13.352  1.00 89.56           C  
+ATOM    401  O   LYS A  54      -9.543  17.878  15.565  1.00 89.56           O  
+ATOM    402  CG  LYS A  54      -9.418  16.670  12.449  1.00 89.56           C  
+ATOM    403  CD  LYS A  54      -9.756  16.279  11.016  1.00 89.56           C  
+ATOM    404  CE  LYS A  54      -9.884  17.502  10.118  1.00 89.56           C  
+ATOM    405  NZ  LYS A  54     -10.061  17.120   8.684  1.00 89.56           N  
+ATOM    406  N   ILE A  55     -10.753  16.111  16.140  1.00 90.66           N  
+ATOM    407  CA  ILE A  55     -11.781  16.858  16.856  1.00 90.66           C  
+ATOM    408  C   ILE A  55     -11.210  17.393  18.167  1.00 90.66           C  
+ATOM    409  CB  ILE A  55     -13.026  15.985  17.131  1.00 90.66           C  
+ATOM    410  O   ILE A  55     -11.418  18.559  18.512  1.00 90.66           O  
+ATOM    411  CG1 ILE A  55     -13.704  15.592  15.813  1.00 90.66           C  
+ATOM    412  CG2 ILE A  55     -14.005  16.716  18.054  1.00 90.66           C  
+ATOM    413  CD1 ILE A  55     -14.840  14.592  15.975  1.00 90.66           C  
+ATOM    414  N   ILE A  56     -10.413  16.635  18.863  1.00 89.65           N  
+ATOM    415  CA  ILE A  56      -9.967  16.953  20.215  1.00 89.65           C  
+ATOM    416  C   ILE A  56      -8.743  17.864  20.154  1.00 89.65           C  
+ATOM    417  CB  ILE A  56      -9.644  15.674  21.020  1.00 89.65           C  
+ATOM    418  O   ILE A  56      -8.641  18.829  20.916  1.00 89.65           O  
+ATOM    419  CG1 ILE A  56     -10.917  14.851  21.248  1.00 89.65           C  
+ATOM    420  CG2 ILE A  56      -8.975  16.028  22.351  1.00 89.65           C  
+ATOM    421  CD1 ILE A  56     -10.661  13.458  21.808  1.00 89.65           C  
+ATOM    422  N   HIS A  57      -7.870  17.625  19.238  1.00 86.88           N  
+ATOM    423  CA  HIS A  57      -6.569  18.282  19.306  1.00 86.88           C  
+ATOM    424  C   HIS A  57      -6.379  19.249  18.142  1.00 86.88           C  
+ATOM    425  CB  HIS A  57      -5.445  17.244  19.315  1.00 86.88           C  
+ATOM    426  O   HIS A  57      -5.411  20.012  18.116  1.00 86.88           O  
+ATOM    427  CG  HIS A  57      -5.437  16.379  20.535  1.00 86.88           C  
+ATOM    428  CD2 HIS A  57      -5.627  15.047  20.682  1.00 86.88           C  
+ATOM    429  ND1 HIS A  57      -5.214  16.879  21.800  1.00 86.88           N  
+ATOM    430  CE1 HIS A  57      -5.267  15.888  22.674  1.00 86.88           C  
+ATOM    431  NE2 HIS A  57      -5.517  14.766  22.022  1.00 86.88           N  
+ATOM    432  N   GLU A  58      -7.289  19.252  17.234  1.00 85.64           N  
+ATOM    433  CA  GLU A  58      -7.244  20.205  16.129  1.00 85.64           C  
+ATOM    434  C   GLU A  58      -8.517  21.045  16.072  1.00 85.64           C  
+ATOM    435  CB  GLU A  58      -7.035  19.477  14.799  1.00 85.64           C  
+ATOM    436  O   GLU A  58      -9.152  21.289  17.100  1.00 85.64           O  
+ATOM    437  CG  GLU A  58      -5.688  18.779  14.685  1.00 85.64           C  
+ATOM    438  CD  GLU A  58      -5.463  18.126  13.330  1.00 85.64           C  
+ATOM    439  OE1 GLU A  58      -4.389  17.517  13.121  1.00 85.64           O  
+ATOM    440  OE2 GLU A  58      -6.367  18.225  12.471  1.00 85.64           O  
+ATOM    441  N   ALA A  59      -8.870  21.622  14.861  1.00 86.34           N  
+ATOM    442  CA  ALA A  59     -10.000  22.541  14.761  1.00 86.34           C  
+ATOM    443  C   ALA A  59     -11.293  21.790  14.456  1.00 86.34           C  
+ATOM    444  CB  ALA A  59      -9.735  23.595  13.688  1.00 86.34           C  
+ATOM    445  O   ALA A  59     -12.340  22.405  14.243  1.00 86.34           O  
+ATOM    446  N   GLY A  60     -11.146  20.370  14.490  1.00 88.73           N  
+ATOM    447  CA  GLY A  60     -12.319  19.595  14.118  1.00 88.73           C  
+ATOM    448  C   GLY A  60     -12.621  19.648  12.632  1.00 88.73           C  
+ATOM    449  O   GLY A  60     -11.742  19.955  11.825  1.00 88.73           O  
+ATOM    450  N   TYR A  61     -13.836  19.169  12.226  1.00 90.74           N  
+ATOM    451  CA  TYR A  61     -14.231  19.144  10.823  1.00 90.74           C  
+ATOM    452  C   TYR A  61     -14.983  20.415  10.445  1.00 90.74           C  
+ATOM    453  CB  TYR A  61     -15.100  17.917  10.530  1.00 90.74           C  
+ATOM    454  O   TYR A  61     -15.975  20.771  11.086  1.00 90.74           O  
+ATOM    455  CG  TYR A  61     -14.356  16.608  10.632  1.00 90.74           C  
+ATOM    456  CD1 TYR A  61     -13.715  16.061   9.523  1.00 90.74           C  
+ATOM    457  CD2 TYR A  61     -14.294  15.916  11.836  1.00 90.74           C  
+ATOM    458  CE1 TYR A  61     -13.030  14.854   9.612  1.00 90.74           C  
+ATOM    459  CE2 TYR A  61     -13.611  14.708  11.936  1.00 90.74           C  
+ATOM    460  OH  TYR A  61     -12.306  12.990  10.914  1.00 90.74           O  
+ATOM    461  CZ  TYR A  61     -12.983  14.186  10.821  1.00 90.74           C  
+ATOM    462  N   SER A  62     -14.421  21.170   9.452  1.00 90.85           N  
+ATOM    463  CA  SER A  62     -15.114  22.351   8.948  1.00 90.85           C  
+ATOM    464  C   SER A  62     -16.422  21.973   8.260  1.00 90.85           C  
+ATOM    465  CB  SER A  62     -14.222  23.123   7.975  1.00 90.85           C  
+ATOM    466  O   SER A  62     -16.656  20.800   7.963  1.00 90.85           O  
+ATOM    467  OG  SER A  62     -14.042  22.395   6.772  1.00 90.85           O  
+ATOM    468  N   GLU A  63     -17.269  22.909   8.014  1.00 89.91           N  
+ATOM    469  CA  GLU A  63     -18.531  22.673   7.320  1.00 89.91           C  
+ATOM    470  C   GLU A  63     -18.296  22.077   5.935  1.00 89.91           C  
+ATOM    471  CB  GLU A  63     -19.333  23.972   7.204  1.00 89.91           C  
+ATOM    472  O   GLU A  63     -19.028  21.182   5.506  1.00 89.91           O  
+ATOM    473  CG  GLU A  63     -20.748  23.777   6.681  1.00 89.91           C  
+ATOM    474  CD  GLU A  63     -21.571  25.056   6.683  1.00 89.91           C  
+ATOM    475  OE1 GLU A  63     -22.665  25.075   6.076  1.00 89.91           O  
+ATOM    476  OE2 GLU A  63     -21.116  26.047   7.297  1.00 89.91           O  
+ATOM    477  N   GLU A  64     -17.308  22.601   5.253  1.00 90.02           N  
+ATOM    478  CA  GLU A  64     -16.972  22.117   3.917  1.00 90.02           C  
+ATOM    479  C   GLU A  64     -16.533  20.656   3.953  1.00 90.02           C  
+ATOM    480  CB  GLU A  64     -15.873  22.981   3.293  1.00 90.02           C  
+ATOM    481  O   GLU A  64     -16.924  19.863   3.094  1.00 90.02           O  
+ATOM    482  CG  GLU A  64     -16.369  24.320   2.765  1.00 90.02           C  
+ATOM    483  CD  GLU A  64     -16.698  25.315   3.866  1.00 90.02           C  
+ATOM    484  OE1 GLU A  64     -17.529  26.222   3.636  1.00 90.02           O  
+ATOM    485  OE2 GLU A  64     -16.118  25.187   4.968  1.00 90.02           O  
+ATOM    486  N   GLU A  65     -15.732  20.312   4.965  1.00 90.24           N  
+ATOM    487  CA  GLU A  65     -15.276  18.934   5.121  1.00 90.24           C  
+ATOM    488  C   GLU A  65     -16.439  18.001   5.444  1.00 90.24           C  
+ATOM    489  CB  GLU A  65     -14.207  18.842   6.213  1.00 90.24           C  
+ATOM    490  O   GLU A  65     -16.490  16.871   4.954  1.00 90.24           O  
+ATOM    491  CG  GLU A  65     -12.866  19.438   5.813  1.00 90.24           C  
+ATOM    492  CD  GLU A  65     -11.863  19.478   6.955  1.00 90.24           C  
+ATOM    493  OE1 GLU A  65     -10.644  19.357   6.697  1.00 90.24           O  
+ATOM    494  OE2 GLU A  65     -12.299  19.630   8.118  1.00 90.24           O  
+ATOM    495  N   CYS A  66     -17.337  18.468   6.253  1.00 92.53           N  
+ATOM    496  CA  CYS A  66     -18.503  17.679   6.635  1.00 92.53           C  
+ATOM    497  C   CYS A  66     -19.383  17.388   5.426  1.00 92.53           C  
+ATOM    498  CB  CYS A  66     -19.315  18.407   7.705  1.00 92.53           C  
+ATOM    499  O   CYS A  66     -19.958  16.303   5.318  1.00 92.53           O  
+ATOM    500  SG  CYS A  66     -18.525  18.429   9.329  1.00 92.53           S  
+ATOM    501  N   LYS A  67     -19.402  18.326   4.494  1.00 91.32           N  
+ATOM    502  CA  LYS A  67     -20.210  18.163   3.288  1.00 91.32           C  
+ATOM    503  C   LYS A  67     -19.696  17.007   2.434  1.00 91.32           C  
+ATOM    504  CB  LYS A  67     -20.219  19.455   2.470  1.00 91.32           C  
+ATOM    505  O   LYS A  67     -20.475  16.340   1.750  1.00 91.32           O  
+ATOM    506  CG  LYS A  67     -21.154  20.525   3.014  1.00 91.32           C  
+ATOM    507  CD  LYS A  67     -21.174  21.758   2.120  1.00 91.32           C  
+ATOM    508  CE  LYS A  67     -22.059  22.855   2.697  1.00 91.32           C  
+ATOM    509  NZ  LYS A  67     -22.020  24.093   1.863  1.00 91.32           N  
+ATOM    510  N   GLN A  68     -18.426  16.777   2.557  1.00 91.10           N  
+ATOM    511  CA  GLN A  68     -17.807  15.723   1.761  1.00 91.10           C  
+ATOM    512  C   GLN A  68     -18.232  14.341   2.251  1.00 91.10           C  
+ATOM    513  CB  GLN A  68     -16.283  15.846   1.797  1.00 91.10           C  
+ATOM    514  O   GLN A  68     -18.140  13.359   1.512  1.00 91.10           O  
+ATOM    515  CG  GLN A  68     -15.750  17.090   1.099  1.00 91.10           C  
+ATOM    516  CD  GLN A  68     -14.251  17.258   1.262  1.00 91.10           C  
+ATOM    517  NE2 GLN A  68     -13.690  18.262   0.596  1.00 91.10           N  
+ATOM    518  OE1 GLN A  68     -13.601  16.492   1.981  1.00 91.10           O  
+ATOM    519  N   TYR A  69     -18.756  14.320   3.472  1.00 94.14           N  
+ATOM    520  CA  TYR A  69     -19.110  13.032   4.059  1.00 94.14           C  
+ATOM    521  C   TYR A  69     -20.574  12.698   3.800  1.00 94.14           C  
+ATOM    522  CB  TYR A  69     -18.833  13.034   5.566  1.00 94.14           C  
+ATOM    523  O   TYR A  69     -21.053  11.632   4.195  1.00 94.14           O  
+ATOM    524  CG  TYR A  69     -17.394  12.749   5.919  1.00 94.14           C  
+ATOM    525  CD1 TYR A  69     -16.964  11.449   6.175  1.00 94.14           C  
+ATOM    526  CD2 TYR A  69     -16.462  13.778   5.999  1.00 94.14           C  
+ATOM    527  CE1 TYR A  69     -15.639  11.181   6.504  1.00 94.14           C  
+ATOM    528  CE2 TYR A  69     -15.134  13.522   6.326  1.00 94.14           C  
+ATOM    529  OH  TYR A  69     -13.420  11.963   6.900  1.00 94.14           O  
+ATOM    530  CZ  TYR A  69     -14.733  12.222   6.576  1.00 94.14           C  
+ATOM    531  N   LYS A  70     -21.141  13.625   3.196  1.00 92.90           N  
+ATOM    532  CA  LYS A  70     -22.556  13.450   2.883  1.00 92.90           C  
+ATOM    533  C   LYS A  70     -22.783  12.192   2.050  1.00 92.90           C  
+ATOM    534  CB  LYS A  70     -23.098  14.674   2.143  1.00 92.90           C  
+ATOM    535  O   LYS A  70     -23.666  11.388   2.358  1.00 92.90           O  
+ATOM    536  CG  LYS A  70     -24.612  14.688   1.995  1.00 92.90           C  
+ATOM    537  CD  LYS A  70     -25.100  15.986   1.365  1.00 92.90           C  
+ATOM    538  CE  LYS A  70     -26.617  16.007   1.230  1.00 92.90           C  
+ATOM    539  NZ  LYS A  70     -27.105  17.301   0.666  1.00 92.90           N  
+ATOM    540  N   ALA A  71     -22.061  11.989   1.092  1.00 91.95           N  
+ATOM    541  CA  ALA A  71     -22.178  10.834   0.205  1.00 91.95           C  
+ATOM    542  C   ALA A  71     -21.958   9.532   0.969  1.00 91.95           C  
+ATOM    543  CB  ALA A  71     -21.182  10.946  -0.947  1.00 91.95           C  
+ATOM    544  O   ALA A  71     -22.663   8.545   0.742  1.00 91.95           O  
+ATOM    545  N   VAL A  72     -21.066   9.619   1.868  1.00 93.70           N  
+ATOM    546  CA  VAL A  72     -20.717   8.429   2.637  1.00 93.70           C  
+ATOM    547  C   VAL A  72     -21.864   8.066   3.578  1.00 93.70           C  
+ATOM    548  CB  VAL A  72     -19.414   8.636   3.441  1.00 93.70           C  
+ATOM    549  O   VAL A  72     -22.223   6.893   3.705  1.00 93.70           O  
+ATOM    550  CG1 VAL A  72     -19.045   7.366   4.207  1.00 93.70           C  
+ATOM    551  CG2 VAL A  72     -18.275   9.052   2.512  1.00 93.70           C  
+ATOM    552  N   VAL A  73     -22.407   9.038   4.238  1.00 95.23           N  
+ATOM    553  CA  VAL A  73     -23.522   8.832   5.157  1.00 95.23           C  
+ATOM    554  C   VAL A  73     -24.696   8.201   4.413  1.00 95.23           C  
+ATOM    555  CB  VAL A  73     -23.962  10.156   5.822  1.00 95.23           C  
+ATOM    556  O   VAL A  73     -25.274   7.215   4.875  1.00 95.23           O  
+ATOM    557  CG1 VAL A  73     -25.266   9.965   6.594  1.00 95.23           C  
+ATOM    558  CG2 VAL A  73     -22.862  10.680   6.744  1.00 95.23           C  
+ATOM    559  N   TYR A  74     -24.969   8.725   3.277  1.00 94.45           N  
+ATOM    560  CA  TYR A  74     -26.070   8.205   2.474  1.00 94.45           C  
+ATOM    561  C   TYR A  74     -25.815   6.758   2.071  1.00 94.45           C  
+ATOM    562  CB  TYR A  74     -26.279   9.066   1.224  1.00 94.45           C  
+ATOM    563  O   TYR A  74     -26.709   5.914   2.163  1.00 94.45           O  
+ATOM    564  CG  TYR A  74     -26.912  10.406   1.509  1.00 94.45           C  
+ATOM    565  CD1 TYR A  74     -27.465  10.686   2.757  1.00 94.45           C  
+ATOM    566  CD2 TYR A  74     -26.960  11.394   0.532  1.00 94.45           C  
+ATOM    567  CE1 TYR A  74     -28.051  11.919   3.024  1.00 94.45           C  
+ATOM    568  CE2 TYR A  74     -27.544  12.630   0.787  1.00 94.45           C  
+ATOM    569  OH  TYR A  74     -28.665  14.105   2.293  1.00 94.45           O  
+ATOM    570  CZ  TYR A  74     -28.086  12.883   2.034  1.00 94.45           C  
+ATOM    571  N   SER A  75     -24.648   6.590   1.627  1.00 93.29           N  
+ATOM    572  CA  SER A  75     -24.267   5.242   1.217  1.00 93.29           C  
+ATOM    573  C   SER A  75     -24.391   4.257   2.375  1.00 93.29           C  
+ATOM    574  CB  SER A  75     -22.836   5.230   0.678  1.00 93.29           C  
+ATOM    575  O   SER A  75     -24.951   3.170   2.214  1.00 93.29           O  
+ATOM    576  OG  SER A  75     -22.442   3.914   0.328  1.00 93.29           O  
+ATOM    577  N   ASN A  76     -23.877   4.592   3.523  1.00 94.91           N  
+ATOM    578  CA  ASN A  76     -23.948   3.726   4.695  1.00 94.91           C  
+ATOM    579  C   ASN A  76     -25.393   3.431   5.087  1.00 94.91           C  
+ATOM    580  CB  ASN A  76     -23.196   4.352   5.872  1.00 94.91           C  
+ATOM    581  O   ASN A  76     -25.718   2.308   5.476  1.00 94.91           O  
+ATOM    582  CG  ASN A  76     -21.691   4.290   5.702  1.00 94.91           C  
+ATOM    583  ND2 ASN A  76     -21.239   3.577   4.678  1.00 94.91           N  
+ATOM    584  OD1 ASN A  76     -20.941   4.878   6.486  1.00 94.91           O  
+ATOM    585  N   THR A  77     -26.260   4.473   4.956  1.00 95.43           N  
+ATOM    586  CA  THR A  77     -27.669   4.342   5.308  1.00 95.43           C  
+ATOM    587  C   THR A  77     -28.376   3.377   4.360  1.00 95.43           C  
+ATOM    588  CB  THR A  77     -28.381   5.707   5.282  1.00 95.43           C  
+ATOM    589  O   THR A  77     -29.056   2.449   4.804  1.00 95.43           O  
+ATOM    590  CG2 THR A  77     -29.835   5.577   5.724  1.00 95.43           C  
+ATOM    591  OG1 THR A  77     -27.704   6.610   6.165  1.00 95.43           O  
+ATOM    592  N   ILE A  78     -28.155   3.543   3.086  1.00 94.63           N  
+ATOM    593  CA  ILE A  78     -28.803   2.746   2.050  1.00 94.63           C  
+ATOM    594  C   ILE A  78     -28.312   1.302   2.128  1.00 94.63           C  
+ATOM    595  CB  ILE A  78     -28.540   3.326   0.642  1.00 94.63           C  
+ATOM    596  O   ILE A  78     -29.115   0.366   2.109  1.00 94.63           O  
+ATOM    597  CG1 ILE A  78     -29.237   4.682   0.484  1.00 94.63           C  
+ATOM    598  CG2 ILE A  78     -28.998   2.345  -0.441  1.00 94.63           C  
+ATOM    599  CD1 ILE A  78     -28.812   5.456  -0.756  1.00 94.63           C  
+ATOM    600  N   GLN A  79     -27.072   1.160   2.283  1.00 94.49           N  
+ATOM    601  CA  GLN A  79     -26.489  -0.176   2.343  1.00 94.49           C  
+ATOM    602  C   GLN A  79     -26.953  -0.923   3.591  1.00 94.49           C  
+ATOM    603  CB  GLN A  79     -24.962  -0.099   2.314  1.00 94.49           C  
+ATOM    604  O   GLN A  79     -27.118  -2.144   3.564  1.00 94.49           O  
+ATOM    605  CG  GLN A  79     -24.395   0.382   0.985  1.00 94.49           C  
+ATOM    606  CD  GLN A  79     -24.696  -0.568  -0.159  1.00 94.49           C  
+ATOM    607  NE2 GLN A  79     -24.890  -0.016  -1.352  1.00 94.49           N  
+ATOM    608  OE1 GLN A  79     -24.751  -1.787   0.027  1.00 94.49           O  
+ATOM    609  N   SER A  80     -27.157  -0.216   4.647  1.00 96.37           N  
+ATOM    610  CA  SER A  80     -27.620  -0.831   5.887  1.00 96.37           C  
+ATOM    611  C   SER A  80     -29.022  -1.410   5.727  1.00 96.37           C  
+ATOM    612  CB  SER A  80     -27.607   0.187   7.028  1.00 96.37           C  
+ATOM    613  O   SER A  80     -29.277  -2.551   6.120  1.00 96.37           O  
+ATOM    614  OG  SER A  80     -26.279   0.561   7.353  1.00 96.37           O  
+ATOM    615  N   ILE A  81     -29.903  -0.628   5.117  1.00 96.93           N  
+ATOM    616  CA  ILE A  81     -31.274  -1.102   4.958  1.00 96.93           C  
+ATOM    617  C   ILE A  81     -31.316  -2.216   3.914  1.00 96.93           C  
+ATOM    618  CB  ILE A  81     -32.226   0.046   4.556  1.00 96.93           C  
+ATOM    619  O   ILE A  81     -32.078  -3.176   4.051  1.00 96.93           O  
+ATOM    620  CG1 ILE A  81     -33.687  -0.397   4.700  1.00 96.93           C  
+ATOM    621  CG2 ILE A  81     -31.934   0.515   3.128  1.00 96.93           C  
+ATOM    622  CD1 ILE A  81     -34.098  -0.718   6.131  1.00 96.93           C  
+ATOM    623  N   ILE A  82     -30.585  -2.162   2.899  1.00 95.89           N  
+ATOM    624  CA  ILE A  82     -30.499  -3.212   1.889  1.00 95.89           C  
+ATOM    625  C   ILE A  82     -30.008  -4.507   2.532  1.00 95.89           C  
+ATOM    626  CB  ILE A  82     -29.566  -2.803   0.727  1.00 95.89           C  
+ATOM    627  O   ILE A  82     -30.536  -5.585   2.252  1.00 95.89           O  
+ATOM    628  CG1 ILE A  82     -30.241  -1.745  -0.153  1.00 95.89           C  
+ATOM    629  CG2 ILE A  82     -29.165  -4.028  -0.099  1.00 95.89           C  
+ATOM    630  CD1 ILE A  82     -29.367  -1.239  -1.293  1.00 95.89           C  
+ATOM    631  N   ALA A  83     -29.007  -4.336   3.379  1.00 95.99           N  
+ATOM    632  CA  ALA A  83     -28.471  -5.504   4.073  1.00 95.99           C  
+ATOM    633  C   ALA A  83     -29.545  -6.180   4.920  1.00 95.99           C  
+ATOM    634  CB  ALA A  83     -27.282  -5.107   4.945  1.00 95.99           C  
+ATOM    635  O   ALA A  83     -29.634  -7.410   4.956  1.00 95.99           O  
+ATOM    636  N   ILE A  84     -30.344  -5.434   5.572  1.00 97.37           N  
+ATOM    637  CA  ILE A  84     -31.410  -5.958   6.419  1.00 97.37           C  
+ATOM    638  C   ILE A  84     -32.450  -6.672   5.559  1.00 97.37           C  
+ATOM    639  CB  ILE A  84     -32.077  -4.835   7.245  1.00 97.37           C  
+ATOM    640  O   ILE A  84     -32.862  -7.791   5.873  1.00 97.37           O  
+ATOM    641  CG1 ILE A  84     -31.075  -4.235   8.238  1.00 97.37           C  
+ATOM    642  CG2 ILE A  84     -33.318  -5.364   7.971  1.00 97.37           C  
+ATOM    643  CD1 ILE A  84     -31.580  -2.988   8.950  1.00 97.37           C  
+ATOM    644  N   ILE A  85     -32.837  -6.071   4.435  1.00 96.51           N  
+ATOM    645  CA  ILE A  85     -33.859  -6.623   3.552  1.00 96.51           C  
+ATOM    646  C   ILE A  85     -33.353  -7.918   2.921  1.00 96.51           C  
+ATOM    647  CB  ILE A  85     -34.262  -5.613   2.453  1.00 96.51           C  
+ATOM    648  O   ILE A  85     -34.092  -8.900   2.826  1.00 96.51           O  
+ATOM    649  CG1 ILE A  85     -34.886  -4.361   3.081  1.00 96.51           C  
+ATOM    650  CG2 ILE A  85     -35.223  -6.260   1.451  1.00 96.51           C  
+ATOM    651  CD1 ILE A  85     -36.098  -4.647   3.957  1.00 96.51           C  
+ATOM    652  N   ARG A  86     -32.201  -7.994   2.539  1.00 95.31           N  
+ATOM    653  CA  ARG A  86     -31.609  -9.213   1.997  1.00 95.31           C  
+ATOM    654  C   ARG A  86     -31.586 -10.322   3.043  1.00 95.31           C  
+ATOM    655  CB  ARG A  86     -30.190  -8.942   1.490  1.00 95.31           C  
+ATOM    656  O   ARG A  86     -31.861 -11.483   2.730  1.00 95.31           O  
+ATOM    657  CG  ARG A  86     -30.142  -8.251   0.137  1.00 95.31           C  
+ATOM    658  CD  ARG A  86     -28.710  -8.040  -0.338  1.00 95.31           C  
+ATOM    659  NE  ARG A  86     -28.662  -7.280  -1.583  1.00 95.31           N  
+ATOM    660  NH1 ARG A  86     -26.526  -6.468  -1.246  1.00 95.31           N  
+ATOM    661  NH2 ARG A  86     -27.688  -5.898  -3.138  1.00 95.31           N  
+ATOM    662  CZ  ARG A  86     -27.625  -6.550  -1.986  1.00 95.31           C  
+ATOM    663  N   ALA A  87     -31.268  -9.934   4.222  1.00 95.70           N  
+ATOM    664  CA  ALA A  87     -31.193 -10.896   5.318  1.00 95.70           C  
+ATOM    665  C   ALA A  87     -32.570 -11.466   5.644  1.00 95.70           C  
+ATOM    666  CB  ALA A  87     -30.584 -10.243   6.557  1.00 95.70           C  
+ATOM    667  O   ALA A  87     -32.684 -12.599   6.118  1.00 95.70           O  
+ATOM    668  N   MET A  88     -33.572 -10.671   5.449  1.00 95.81           N  
+ATOM    669  CA  MET A  88     -34.938 -11.136   5.672  1.00 95.81           C  
+ATOM    670  C   MET A  88     -35.249 -12.348   4.800  1.00 95.81           C  
+ATOM    671  CB  MET A  88     -35.940 -10.016   5.388  1.00 95.81           C  
+ATOM    672  O   MET A  88     -35.903 -13.290   5.250  1.00 95.81           O  
+ATOM    673  CG  MET A  88     -35.971  -8.936   6.457  1.00 95.81           C  
+ATOM    674  SD  MET A  88     -37.204  -7.626   6.098  1.00 95.81           S  
+ATOM    675  CE  MET A  88     -38.740  -8.528   6.444  1.00 95.81           C  
+ATOM    676  N   GLY A  89     -34.792 -12.282   3.547  1.00 91.97           N  
+ATOM    677  CA  GLY A  89     -34.973 -13.409   2.646  1.00 91.97           C  
+ATOM    678  C   GLY A  89     -34.247 -14.661   3.102  1.00 91.97           C  
+ATOM    679  O   GLY A  89     -34.824 -15.750   3.109  1.00 91.97           O  
+ATOM    680  N   ARG A  90     -33.083 -14.490   3.608  1.00 92.13           N  
+ATOM    681  CA  ARG A  90     -32.234 -15.588   4.058  1.00 92.13           C  
+ATOM    682  C   ARG A  90     -32.767 -16.199   5.350  1.00 92.13           C  
+ATOM    683  CB  ARG A  90     -30.795 -15.108   4.259  1.00 92.13           C  
+ATOM    684  O   ARG A  90     -32.758 -17.420   5.515  1.00 92.13           O  
+ATOM    685  CG  ARG A  90     -29.812 -16.224   4.576  1.00 92.13           C  
+ATOM    686  CD  ARG A  90     -28.390 -15.700   4.713  1.00 92.13           C  
+ATOM    687  NE  ARG A  90     -27.470 -16.747   5.149  1.00 92.13           N  
+ATOM    688  NH1 ARG A  90     -25.597 -15.394   5.134  1.00 92.13           N  
+ATOM    689  NH2 ARG A  90     -25.419 -17.599   5.737  1.00 92.13           N  
+ATOM    690  CZ  ARG A  90     -26.164 -16.578   5.339  1.00 92.13           C  
+ATOM    691  N   LEU A  91     -33.307 -15.390   6.237  1.00 94.49           N  
+ATOM    692  CA  LEU A  91     -33.768 -15.838   7.546  1.00 94.49           C  
+ATOM    693  C   LEU A  91     -35.257 -16.166   7.516  1.00 94.49           C  
+ATOM    694  CB  LEU A  91     -33.490 -14.769   8.607  1.00 94.49           C  
+ATOM    695  O   LEU A  91     -35.829 -16.566   8.533  1.00 94.49           O  
+ATOM    696  CG  LEU A  91     -32.019 -14.467   8.896  1.00 94.49           C  
+ATOM    697  CD1 LEU A  91     -31.899 -13.305   9.876  1.00 94.49           C  
+ATOM    698  CD2 LEU A  91     -31.316 -15.706   9.441  1.00 94.49           C  
+ATOM    699  N   LYS A  92     -35.802 -15.972   6.347  1.00 94.04           N  
+ATOM    700  CA  LYS A  92     -37.203 -16.289   6.090  1.00 94.04           C  
+ATOM    701  C   LYS A  92     -38.122 -15.538   7.049  1.00 94.04           C  
+ATOM    702  CB  LYS A  92     -37.443 -17.795   6.206  1.00 94.04           C  
+ATOM    703  O   LYS A  92     -39.020 -16.132   7.649  1.00 94.04           O  
+ATOM    704  CG  LYS A  92     -36.692 -18.623   5.173  1.00 94.04           C  
+ATOM    705  CD  LYS A  92     -37.096 -20.090   5.231  1.00 94.04           C  
+ATOM    706  CE  LYS A  92     -36.376 -20.912   4.171  1.00 94.04           C  
+ATOM    707  NZ  LYS A  92     -36.765 -22.353   4.228  1.00 94.04           N  
+ATOM    708  N   ILE A  93     -37.881 -14.255   7.216  1.00 95.10           N  
+ATOM    709  CA  ILE A  93     -38.715 -13.367   8.018  1.00 95.10           C  
+ATOM    710  C   ILE A  93     -39.686 -12.613   7.113  1.00 95.10           C  
+ATOM    711  CB  ILE A  93     -37.859 -12.371   8.833  1.00 95.10           C  
+ATOM    712  O   ILE A  93     -39.271 -11.967   6.148  1.00 95.10           O  
+ATOM    713  CG1 ILE A  93     -36.917 -13.125   9.778  1.00 95.10           C  
+ATOM    714  CG2 ILE A  93     -38.753 -11.400   9.610  1.00 95.10           C  
+ATOM    715  CD1 ILE A  93     -35.927 -12.229  10.510  1.00 95.10           C  
+ATOM    716  N   ASP A  94     -40.932 -12.702   7.411  1.00 96.02           N  
+ATOM    717  CA  ASP A  94     -41.953 -12.025   6.617  1.00 96.02           C  
+ATOM    718  C   ASP A  94     -42.118 -10.573   7.059  1.00 96.02           C  
+ATOM    719  CB  ASP A  94     -43.290 -12.762   6.721  1.00 96.02           C  
+ATOM    720  O   ASP A  94     -41.837 -10.232   8.210  1.00 96.02           O  
+ATOM    721  CG  ASP A  94     -43.250 -14.152   6.111  1.00 96.02           C  
+ATOM    722  OD1 ASP A  94     -42.603 -14.337   5.057  1.00 96.02           O  
+ATOM    723  OD2 ASP A  94     -43.874 -15.069   6.686  1.00 96.02           O  
+ATOM    724  N   PHE A  95     -42.573  -9.775   6.051  1.00 96.80           N  
+ATOM    725  CA  PHE A  95     -42.900  -8.399   6.406  1.00 96.80           C  
+ATOM    726  C   PHE A  95     -44.114  -8.351   7.327  1.00 96.80           C  
+ATOM    727  CB  PHE A  95     -43.163  -7.566   5.147  1.00 96.80           C  
+ATOM    728  O   PHE A  95     -44.997  -9.207   7.243  1.00 96.80           O  
+ATOM    729  CG  PHE A  95     -41.939  -7.342   4.301  1.00 96.80           C  
+ATOM    730  CD1 PHE A  95     -40.951  -6.451   4.704  1.00 96.80           C  
+ATOM    731  CD2 PHE A  95     -41.776  -8.022   3.101  1.00 96.80           C  
+ATOM    732  CE1 PHE A  95     -39.817  -6.242   3.923  1.00 96.80           C  
+ATOM    733  CE2 PHE A  95     -40.645  -7.818   2.315  1.00 96.80           C  
+ATOM    734  CZ  PHE A  95     -39.668  -6.927   2.727  1.00 96.80           C  
+ATOM    735  N   GLY A  96     -44.045  -7.494   8.298  1.00 93.45           N  
+ATOM    736  CA  GLY A  96     -45.234  -7.284   9.109  1.00 93.45           C  
+ATOM    737  C   GLY A  96     -46.450  -6.886   8.294  1.00 93.45           C  
+ATOM    738  O   GLY A  96     -47.555  -7.374   8.539  1.00 93.45           O  
+ATOM    739  N   ASP A  97     -46.230  -5.959   7.344  1.00 94.11           N  
+ATOM    740  CA  ASP A  97     -47.194  -5.500   6.349  1.00 94.11           C  
+ATOM    741  C   ASP A  97     -46.829  -6.005   4.955  1.00 94.11           C  
+ATOM    742  CB  ASP A  97     -47.279  -3.972   6.349  1.00 94.11           C  
+ATOM    743  O   ASP A  97     -45.778  -5.651   4.416  1.00 94.11           O  
+ATOM    744  CG  ASP A  97     -48.396  -3.440   5.469  1.00 94.11           C  
+ATOM    745  OD1 ASP A  97     -48.969  -4.217   4.674  1.00 94.11           O  
+ATOM    746  OD2 ASP A  97     -48.703  -2.233   5.568  1.00 94.11           O  
+ATOM    747  N   ALA A  98     -47.722  -6.747   4.330  1.00 91.45           N  
+ATOM    748  CA  ALA A  98     -47.460  -7.381   3.041  1.00 91.45           C  
+ATOM    749  C   ALA A  98     -47.170  -6.338   1.966  1.00 91.45           C  
+ATOM    750  CB  ALA A  98     -48.644  -8.252   2.627  1.00 91.45           C  
+ATOM    751  O   ALA A  98     -46.490  -6.628   0.978  1.00 91.45           O  
+ATOM    752  N   ALA A  99     -47.688  -5.070   2.156  1.00 90.93           N  
+ATOM    753  CA  ALA A  99     -47.475  -3.977   1.210  1.00 90.93           C  
+ATOM    754  C   ALA A  99     -46.005  -3.573   1.160  1.00 90.93           C  
+ATOM    755  CB  ALA A  99     -48.341  -2.776   1.582  1.00 90.93           C  
+ATOM    756  O   ALA A  99     -45.553  -2.972   0.182  1.00 90.93           O  
+ATOM    757  N   ARG A 100     -45.234  -3.930   2.216  1.00 95.60           N  
+ATOM    758  CA  ARG A 100     -43.839  -3.511   2.293  1.00 95.60           C  
+ATOM    759  C   ARG A 100     -42.975  -4.299   1.314  1.00 95.60           C  
+ATOM    760  CB  ARG A 100     -43.304  -3.680   3.717  1.00 95.60           C  
+ATOM    761  O   ARG A 100     -41.878  -3.866   0.957  1.00 95.60           O  
+ATOM    762  CG  ARG A 100     -43.990  -2.792   4.742  1.00 95.60           C  
+ATOM    763  CD  ARG A 100     -43.787  -1.315   4.436  1.00 95.60           C  
+ATOM    764  NE  ARG A 100     -44.846  -0.792   3.578  1.00 95.60           N  
+ATOM    765  NH1 ARG A 100     -46.328  -0.388   5.303  1.00 95.60           N  
+ATOM    766  NH2 ARG A 100     -46.920   0.093   3.141  1.00 95.60           N  
+ATOM    767  CZ  ARG A 100     -46.029  -0.363   4.009  1.00 95.60           C  
+ATOM    768  N   ALA A 101     -43.477  -5.388   0.834  1.00 92.62           N  
+ATOM    769  CA  ALA A 101     -42.770  -6.158  -0.185  1.00 92.62           C  
+ATOM    770  C   ALA A 101     -42.530  -5.320  -1.438  1.00 92.62           C  
+ATOM    771  CB  ALA A 101     -43.552  -7.422  -0.536  1.00 92.62           C  
+ATOM    772  O   ALA A 101     -41.453  -5.381  -2.036  1.00 92.62           O  
+ATOM    773  N   ASP A 102     -43.555  -4.553  -1.827  1.00 93.24           N  
+ATOM    774  CA  ASP A 102     -43.429  -3.646  -2.963  1.00 93.24           C  
+ATOM    775  C   ASP A 102     -42.412  -2.543  -2.675  1.00 93.24           C  
+ATOM    776  CB  ASP A 102     -44.786  -3.032  -3.313  1.00 93.24           C  
+ATOM    777  O   ASP A 102     -41.635  -2.163  -3.553  1.00 93.24           O  
+ATOM    778  CG  ASP A 102     -44.771  -2.272  -4.628  1.00 93.24           C  
+ATOM    779  OD1 ASP A 102     -44.470  -2.878  -5.679  1.00 93.24           O  
+ATOM    780  OD2 ASP A 102     -45.061  -1.056  -4.613  1.00 93.24           O  
+ATOM    781  N   ASP A 103     -42.355  -2.065  -1.440  1.00 95.03           N  
+ATOM    782  CA  ASP A 103     -41.382  -1.054  -1.038  1.00 95.03           C  
+ATOM    783  C   ASP A 103     -39.957  -1.591  -1.143  1.00 95.03           C  
+ATOM    784  CB  ASP A 103     -41.661  -0.579   0.390  1.00 95.03           C  
+ATOM    785  O   ASP A 103     -39.045  -0.871  -1.557  1.00 95.03           O  
+ATOM    786  CG  ASP A 103     -42.923   0.259   0.500  1.00 95.03           C  
+ATOM    787  OD1 ASP A 103     -43.232   1.023  -0.441  1.00 95.03           O  
+ATOM    788  OD2 ASP A 103     -43.613   0.158   1.537  1.00 95.03           O  
+ATOM    789  N   ALA A 104     -39.813  -2.849  -0.750  1.00 94.04           N  
+ATOM    790  CA  ALA A 104     -38.503  -3.488  -0.844  1.00 94.04           C  
+ATOM    791  C   ALA A 104     -38.019  -3.539  -2.290  1.00 94.04           C  
+ATOM    792  CB  ALA A 104     -38.553  -4.895  -0.252  1.00 94.04           C  
+ATOM    793  O   ALA A 104     -36.853  -3.253  -2.572  1.00 94.04           O  
+ATOM    794  N   ARG A 105     -38.946  -3.873  -3.228  1.00 93.17           N  
+ATOM    795  CA  ARG A 105     -38.615  -3.894  -4.649  1.00 93.17           C  
+ATOM    796  C   ARG A 105     -38.228  -2.504  -5.141  1.00 93.17           C  
+ATOM    797  CB  ARG A 105     -39.792  -4.431  -5.467  1.00 93.17           C  
+ATOM    798  O   ARG A 105     -37.241  -2.348  -5.864  1.00 93.17           O  
+ATOM    799  CG  ARG A 105     -39.983  -5.935  -5.357  1.00 93.17           C  
+ATOM    800  CD  ARG A 105     -41.012  -6.447  -6.355  1.00 93.17           C  
+ATOM    801  NE  ARG A 105     -42.149  -7.071  -5.684  1.00 93.17           N  
+ATOM    802  NH1 ARG A 105     -43.715  -5.585  -6.506  1.00 93.17           N  
+ATOM    803  NH2 ARG A 105     -44.364  -7.290  -5.119  1.00 93.17           N  
+ATOM    804  CZ  ARG A 105     -43.407  -6.647  -5.771  1.00 93.17           C  
+ATOM    805  N   GLN A 106     -38.964  -1.514  -4.690  1.00 93.51           N  
+ATOM    806  CA  GLN A 106     -38.698  -0.125  -5.051  1.00 93.51           C  
+ATOM    807  C   GLN A 106     -37.349   0.337  -4.507  1.00 93.51           C  
+ATOM    808  CB  GLN A 106     -39.812   0.787  -4.535  1.00 93.51           C  
+ATOM    809  O   GLN A 106     -36.642   1.108  -5.159  1.00 93.51           O  
+ATOM    810  CG  GLN A 106     -41.110   0.681  -5.325  1.00 93.51           C  
+ATOM    811  CD  GLN A 106     -42.171   1.651  -4.844  1.00 93.51           C  
+ATOM    812  NE2 GLN A 106     -43.435   1.304  -5.062  1.00 93.51           N  
+ATOM    813  OE1 GLN A 106     -41.858   2.705  -4.279  1.00 93.51           O  
+ATOM    814  N   LEU A 107     -37.035  -0.064  -3.289  1.00 94.07           N  
+ATOM    815  CA  LEU A 107     -35.763   0.291  -2.669  1.00 94.07           C  
+ATOM    816  C   LEU A 107     -34.593  -0.101  -3.566  1.00 94.07           C  
+ATOM    817  CB  LEU A 107     -35.624  -0.387  -1.304  1.00 94.07           C  
+ATOM    818  O   LEU A 107     -33.692   0.706  -3.806  1.00 94.07           O  
+ATOM    819  CG  LEU A 107     -34.271  -0.237  -0.606  1.00 94.07           C  
+ATOM    820  CD1 LEU A 107     -34.049   1.213  -0.188  1.00 94.07           C  
+ATOM    821  CD2 LEU A 107     -34.185  -1.165   0.600  1.00 94.07           C  
+ATOM    822  N   PHE A 108     -34.625  -1.334  -4.129  1.00 92.38           N  
+ATOM    823  CA  PHE A 108     -33.528  -1.846  -4.940  1.00 92.38           C  
+ATOM    824  C   PHE A 108     -33.426  -1.085  -6.256  1.00 92.38           C  
+ATOM    825  CB  PHE A 108     -33.712  -3.343  -5.212  1.00 92.38           C  
+ATOM    826  O   PHE A 108     -32.325  -0.794  -6.727  1.00 92.38           O  
+ATOM    827  CG  PHE A 108     -33.367  -4.220  -4.039  1.00 92.38           C  
+ATOM    828  CD1 PHE A 108     -32.041  -4.438  -3.683  1.00 92.38           C  
+ATOM    829  CD2 PHE A 108     -34.368  -4.827  -3.293  1.00 92.38           C  
+ATOM    830  CE1 PHE A 108     -31.719  -5.249  -2.598  1.00 92.38           C  
+ATOM    831  CE2 PHE A 108     -34.053  -5.640  -2.207  1.00 92.38           C  
+ATOM    832  CZ  PHE A 108     -32.728  -5.850  -1.862  1.00 92.38           C  
+ATOM    833  N   VAL A 109     -34.550  -0.659  -6.808  1.00 91.39           N  
+ATOM    834  CA  VAL A 109     -34.596   0.081  -8.064  1.00 91.39           C  
+ATOM    835  C   VAL A 109     -34.062   1.496  -7.851  1.00 91.39           C  
+ATOM    836  CB  VAL A 109     -36.029   0.134  -8.639  1.00 91.39           C  
+ATOM    837  O   VAL A 109     -33.183   1.952  -8.586  1.00 91.39           O  
+ATOM    838  CG1 VAL A 109     -36.092   1.065  -9.849  1.00 91.39           C  
+ATOM    839  CG2 VAL A 109     -36.504  -1.269  -9.016  1.00 91.39           C  
+ATOM    840  N   LEU A 110     -34.507   2.132  -6.786  1.00 90.70           N  
+ATOM    841  CA  LEU A 110     -34.122   3.514  -6.520  1.00 90.70           C  
+ATOM    842  C   LEU A 110     -32.665   3.597  -6.076  1.00 90.70           C  
+ATOM    843  CB  LEU A 110     -35.029   4.126  -5.450  1.00 90.70           C  
+ATOM    844  O   LEU A 110     -31.953   4.535  -6.441  1.00 90.70           O  
+ATOM    845  CG  LEU A 110     -36.481   4.380  -5.856  1.00 90.70           C  
+ATOM    846  CD1 LEU A 110     -37.298   4.835  -4.651  1.00 90.70           C  
+ATOM    847  CD2 LEU A 110     -36.551   5.413  -6.976  1.00 90.70           C  
+ATOM    848  N   ALA A 111     -32.284   2.638  -5.257  1.00 89.41           N  
+ATOM    849  CA  ALA A 111     -30.904   2.605  -4.779  1.00 89.41           C  
+ATOM    850  C   ALA A 111     -29.927   2.425  -5.937  1.00 89.41           C  
+ATOM    851  CB  ALA A 111     -30.723   1.487  -3.755  1.00 89.41           C  
+ATOM    852  O   ALA A 111     -28.840   3.008  -5.937  1.00 89.41           O  
+ATOM    853  N   GLY A 112     -30.348   1.629  -6.940  1.00 85.24           N  
+ATOM    854  CA  GLY A 112     -29.516   1.382  -8.107  1.00 85.24           C  
+ATOM    855  C   GLY A 112     -29.366   2.599  -9.000  1.00 85.24           C  
+ATOM    856  O   GLY A 112     -28.345   2.760  -9.672  1.00 85.24           O  
+ATOM    857  N   ALA A 113     -30.411   3.500  -8.975  1.00 85.08           N  
+ATOM    858  CA  ALA A 113     -30.427   4.687  -9.826  1.00 85.08           C  
+ATOM    859  C   ALA A 113     -29.919   5.911  -9.071  1.00 85.08           C  
+ATOM    860  CB  ALA A 113     -31.836   4.940 -10.358  1.00 85.08           C  
+ATOM    861  O   ALA A 113     -29.778   6.991  -9.650  1.00 85.08           O  
+ATOM    862  N   ALA A 114     -29.621   5.723  -7.775  1.00 81.41           N  
+ATOM    863  CA  ALA A 114     -29.291   6.863  -6.923  1.00 81.41           C  
+ATOM    864  C   ALA A 114     -27.905   7.411  -7.253  1.00 81.41           C  
+ATOM    865  CB  ALA A 114     -29.365   6.467  -5.451  1.00 81.41           C  
+ATOM    866  O   ALA A 114     -26.968   6.645  -7.492  1.00 81.41           O  
+ATOM    867  N   GLU A 115     -27.867   8.738  -7.471  1.00 78.35           N  
+ATOM    868  CA  GLU A 115     -26.594   9.432  -7.640  1.00 78.35           C  
+ATOM    869  C   GLU A 115     -25.874   9.596  -6.305  1.00 78.35           C  
+ATOM    870  CB  GLU A 115     -26.809  10.799  -8.294  1.00 78.35           C  
+ATOM    871  O   GLU A 115     -26.514   9.710  -5.258  1.00 78.35           O  
+ATOM    872  CG  GLU A 115     -27.269  10.722  -9.743  1.00 78.35           C  
+ATOM    873  CD  GLU A 115     -27.471  12.088 -10.381  1.00 78.35           C  
+ATOM    874  OE1 GLU A 115     -27.938  12.152 -11.541  1.00 78.35           O  
+ATOM    875  OE2 GLU A 115     -27.159  13.101  -9.716  1.00 78.35           O  
+ATOM    876  N   GLU A 116     -24.486   9.581  -6.368  1.00 76.52           N  
+ATOM    877  CA  GLU A 116     -23.669   9.753  -5.170  1.00 76.52           C  
+ATOM    878  C   GLU A 116     -23.948  11.094  -4.499  1.00 76.52           C  
+ATOM    879  CB  GLU A 116     -22.182   9.635  -5.513  1.00 76.52           C  
+ATOM    880  O   GLU A 116     -23.898  12.141  -5.147  1.00 76.52           O  
+ATOM    881  CG  GLU A 116     -21.680   8.200  -5.589  1.00 76.52           C  
+ATOM    882  CD  GLU A 116     -20.191   8.100  -5.881  1.00 76.52           C  
+ATOM    883  OE1 GLU A 116     -19.672   6.967  -6.006  1.00 76.52           O  
+ATOM    884  OE2 GLU A 116     -19.538   9.162  -5.984  1.00 76.52           O  
+ATOM    885  N   GLY A 117     -24.351  11.047  -3.207  1.00 76.67           N  
+ATOM    886  CA  GLY A 117     -24.505  12.232  -2.379  1.00 76.67           C  
+ATOM    887  C   GLY A 117     -25.906  12.813  -2.423  1.00 76.67           C  
+ATOM    888  O   GLY A 117     -26.135  13.930  -1.954  1.00 76.67           O  
+ATOM    889  N   PHE A 118     -26.814  12.086  -3.110  1.00 81.96           N  
+ATOM    890  CA  PHE A 118     -28.176  12.592  -3.231  1.00 81.96           C  
+ATOM    891  C   PHE A 118     -29.184  11.557  -2.749  1.00 81.96           C  
+ATOM    892  CB  PHE A 118     -28.478  12.984  -4.681  1.00 81.96           C  
+ATOM    893  O   PHE A 118     -29.160  10.406  -3.191  1.00 81.96           O  
+ATOM    894  CG  PHE A 118     -29.743  13.781  -4.844  1.00 81.96           C  
+ATOM    895  CD1 PHE A 118     -30.914  13.173  -5.280  1.00 81.96           C  
+ATOM    896  CD2 PHE A 118     -29.762  15.141  -4.561  1.00 81.96           C  
+ATOM    897  CE1 PHE A 118     -32.087  13.909  -5.431  1.00 81.96           C  
+ATOM    898  CE2 PHE A 118     -30.930  15.883  -4.710  1.00 81.96           C  
+ATOM    899  CZ  PHE A 118     -32.091  15.265  -5.146  1.00 81.96           C  
+ATOM    900  N   MET A 119     -30.027  11.961  -1.733  1.00 86.36           N  
+ATOM    901  CA  MET A 119     -31.129  11.137  -1.242  1.00 86.36           C  
+ATOM    902  C   MET A 119     -32.474  11.733  -1.644  1.00 86.36           C  
+ATOM    903  CB  MET A 119     -31.056  10.991   0.279  1.00 86.36           C  
+ATOM    904  O   MET A 119     -32.878  12.773  -1.122  1.00 86.36           O  
+ATOM    905  CG  MET A 119     -32.072  10.015   0.850  1.00 86.36           C  
+ATOM    906  SD  MET A 119     -31.708   9.561   2.591  1.00 86.36           S  
+ATOM    907  CE  MET A 119     -30.459   8.271   2.331  1.00 86.36           C  
+ATOM    908  N   THR A 120     -33.195  11.047  -2.577  1.00 87.94           N  
+ATOM    909  CA  THR A 120     -34.488  11.564  -3.014  1.00 87.94           C  
+ATOM    910  C   THR A 120     -35.544  11.361  -1.931  1.00 87.94           C  
+ATOM    911  CB  THR A 120     -34.949  10.886  -4.318  1.00 87.94           C  
+ATOM    912  O   THR A 120     -35.419  10.466  -1.093  1.00 87.94           O  
+ATOM    913  CG2 THR A 120     -33.937  11.105  -5.438  1.00 87.94           C  
+ATOM    914  OG1 THR A 120     -35.097   9.479  -4.092  1.00 87.94           O  
+ATOM    915  N   ALA A 121     -36.559  12.229  -1.902  1.00 88.56           N  
+ATOM    916  CA  ALA A 121     -37.652  12.135  -0.937  1.00 88.56           C  
+ATOM    917  C   ALA A 121     -38.369  10.792  -1.050  1.00 88.56           C  
+ATOM    918  CB  ALA A 121     -38.641  13.280  -1.139  1.00 88.56           C  
+ATOM    919  O   ALA A 121     -38.796  10.223  -0.043  1.00 88.56           O  
+ATOM    920  N   GLU A 122     -38.416  10.363  -2.302  1.00 91.12           N  
+ATOM    921  CA  GLU A 122     -39.064   9.080  -2.559  1.00 91.12           C  
+ATOM    922  C   GLU A 122     -38.288   7.932  -1.920  1.00 91.12           C  
+ATOM    923  CB  GLU A 122     -39.210   8.844  -4.064  1.00 91.12           C  
+ATOM    924  O   GLU A 122     -38.876   7.061  -1.276  1.00 91.12           O  
+ATOM    925  CG  GLU A 122     -40.042   7.619  -4.416  1.00 91.12           C  
+ATOM    926  CD  GLU A 122     -40.196   7.409  -5.914  1.00 91.12           C  
+ATOM    927  OE1 GLU A 122     -40.884   6.446  -6.324  1.00 91.12           O  
+ATOM    928  OE2 GLU A 122     -39.623   8.212  -6.683  1.00 91.12           O  
+ATOM    929  N   LEU A 123     -36.994   7.869  -2.141  1.00 92.81           N  
+ATOM    930  CA  LEU A 123     -36.132   6.842  -1.565  1.00 92.81           C  
+ATOM    931  C   LEU A 123     -36.177   6.886  -0.042  1.00 92.81           C  
+ATOM    932  CB  LEU A 123     -34.691   7.017  -2.051  1.00 92.81           C  
+ATOM    933  O   LEU A 123     -36.323   5.850   0.610  1.00 92.81           O  
+ATOM    934  CG  LEU A 123     -33.670   6.009  -1.522  1.00 92.81           C  
+ATOM    935  CD1 LEU A 123     -34.112   4.586  -1.848  1.00 92.81           C  
+ATOM    936  CD2 LEU A 123     -32.288   6.292  -2.102  1.00 92.81           C  
+ATOM    937  N   ALA A 124     -36.062   8.063   0.510  1.00 93.59           N  
+ATOM    938  CA  ALA A 124     -36.114   8.237   1.959  1.00 93.59           C  
+ATOM    939  C   ALA A 124     -37.439   7.734   2.525  1.00 93.59           C  
+ATOM    940  CB  ALA A 124     -35.905   9.704   2.326  1.00 93.59           C  
+ATOM    941  O   ALA A 124     -37.469   7.103   3.584  1.00 93.59           O  
+ATOM    942  N   GLY A 125     -38.505   8.058   1.759  1.00 94.94           N  
+ATOM    943  CA  GLY A 125     -39.821   7.598   2.174  1.00 94.94           C  
+ATOM    944  C   GLY A 125     -39.938   6.086   2.217  1.00 94.94           C  
+ATOM    945  O   GLY A 125     -40.482   5.527   3.172  1.00 94.94           O  
+ATOM    946  N   VAL A 126     -39.421   5.412   1.244  1.00 95.77           N  
+ATOM    947  CA  VAL A 126     -39.448   3.956   1.154  1.00 95.77           C  
+ATOM    948  C   VAL A 126     -38.638   3.351   2.299  1.00 95.77           C  
+ATOM    949  CB  VAL A 126     -38.903   3.461  -0.204  1.00 95.77           C  
+ATOM    950  O   VAL A 126     -39.090   2.413   2.960  1.00 95.77           O  
+ATOM    951  CG1 VAL A 126     -38.692   1.948  -0.183  1.00 95.77           C  
+ATOM    952  CG2 VAL A 126     -39.852   3.855  -1.335  1.00 95.77           C  
+ATOM    953  N   ILE A 127     -37.506   3.899   2.570  1.00 96.83           N  
+ATOM    954  CA  ILE A 127     -36.633   3.399   3.626  1.00 96.83           C  
+ATOM    955  C   ILE A 127     -37.320   3.556   4.981  1.00 96.83           C  
+ATOM    956  CB  ILE A 127     -35.272   4.130   3.628  1.00 96.83           C  
+ATOM    957  O   ILE A 127     -37.293   2.640   5.807  1.00 96.83           O  
+ATOM    958  CG1 ILE A 127     -34.493   3.811   2.346  1.00 96.83           C  
+ATOM    959  CG2 ILE A 127     -34.459   3.754   4.870  1.00 96.83           C  
+ATOM    960  CD1 ILE A 127     -33.190   4.585   2.205  1.00 96.83           C  
+ATOM    961  N   LYS A 128     -37.908   4.656   5.085  1.00 96.56           N  
+ATOM    962  CA  LYS A 128     -38.601   4.955   6.335  1.00 96.56           C  
+ATOM    963  C   LYS A 128     -39.725   3.955   6.593  1.00 96.56           C  
+ATOM    964  CB  LYS A 128     -39.161   6.378   6.311  1.00 96.56           C  
+ATOM    965  O   LYS A 128     -39.867   3.446   7.706  1.00 96.56           O  
+ATOM    966  CG  LYS A 128     -39.738   6.838   7.642  1.00 96.56           C  
+ATOM    967  CD  LYS A 128     -40.198   8.289   7.580  1.00 96.56           C  
+ATOM    968  CE  LYS A 128     -40.779   8.749   8.910  1.00 96.56           C  
+ATOM    969  NZ  LYS A 128     -41.195  10.183   8.866  1.00 96.56           N  
+ATOM    970  N   ARG A 129     -40.559   3.697   5.642  1.00 96.27           N  
+ATOM    971  CA  ARG A 129     -41.662   2.751   5.774  1.00 96.27           C  
+ATOM    972  C   ARG A 129     -41.146   1.343   6.055  1.00 96.27           C  
+ATOM    973  CB  ARG A 129     -42.525   2.750   4.511  1.00 96.27           C  
+ATOM    974  O   ARG A 129     -41.703   0.627   6.890  1.00 96.27           O  
+ATOM    975  CG  ARG A 129     -43.390   3.991   4.355  1.00 96.27           C  
+ATOM    976  CD  ARG A 129     -44.450   3.808   3.277  1.00 96.27           C  
+ATOM    977  NE  ARG A 129     -43.853   3.659   1.953  1.00 96.27           N  
+ATOM    978  NH1 ARG A 129     -43.797   5.923   1.497  1.00 96.27           N  
+ATOM    979  NH2 ARG A 129     -43.015   4.418  -0.045  1.00 96.27           N  
+ATOM    980  CZ  ARG A 129     -43.556   4.667   1.138  1.00 96.27           C  
+ATOM    981  N   LEU A 130     -40.090   1.004   5.411  1.00 97.26           N  
+ATOM    982  CA  LEU A 130     -39.504  -0.316   5.615  1.00 97.26           C  
+ATOM    983  C   LEU A 130     -38.939  -0.448   7.026  1.00 97.26           C  
+ATOM    984  CB  LEU A 130     -38.402  -0.578   4.585  1.00 97.26           C  
+ATOM    985  O   LEU A 130     -39.133  -1.473   7.683  1.00 97.26           O  
+ATOM    986  CG  LEU A 130     -38.865  -0.887   3.161  1.00 97.26           C  
+ATOM    987  CD1 LEU A 130     -37.682  -0.846   2.198  1.00 97.26           C  
+ATOM    988  CD2 LEU A 130     -39.558  -2.244   3.106  1.00 97.26           C  
+ATOM    989  N   TRP A 131     -38.233   0.574   7.457  1.00 97.68           N  
+ATOM    990  CA  TRP A 131     -37.577   0.541   8.760  1.00 97.68           C  
+ATOM    991  C   TRP A 131     -38.603   0.436   9.883  1.00 97.68           C  
+ATOM    992  CB  TRP A 131     -36.710   1.787   8.958  1.00 97.68           C  
+ATOM    993  O   TRP A 131     -38.354  -0.213  10.902  1.00 97.68           O  
+ATOM    994  CG  TRP A 131     -36.009   1.837  10.282  1.00 97.68           C  
+ATOM    995  CD1 TRP A 131     -36.087   2.830  11.219  1.00 97.68           C  
+ATOM    996  CD2 TRP A 131     -35.119   0.851  10.815  1.00 97.68           C  
+ATOM    997  CE2 TRP A 131     -34.694   1.313  12.081  1.00 97.68           C  
+ATOM    998  CE3 TRP A 131     -34.640  -0.379  10.345  1.00 97.68           C  
+ATOM    999  NE1 TRP A 131     -35.298   2.521  12.303  1.00 97.68           N  
+ATOM   1000  CH2 TRP A 131     -33.357  -0.614  12.399  1.00 97.68           C  
+ATOM   1001  CZ2 TRP A 131     -33.811   0.585  12.882  1.00 97.68           C  
+ATOM   1002  CZ3 TRP A 131     -33.761  -1.101  11.144  1.00 97.68           C  
+ATOM   1003  N   LYS A 132     -39.847   0.981   9.741  1.00 96.67           N  
+ATOM   1004  CA  LYS A 132     -40.910   0.962  10.742  1.00 96.67           C  
+ATOM   1005  C   LYS A 132     -41.630  -0.384  10.753  1.00 96.67           C  
+ATOM   1006  CB  LYS A 132     -41.910   2.090  10.484  1.00 96.67           C  
+ATOM   1007  O   LYS A 132     -42.354  -0.698  11.700  1.00 96.67           O  
+ATOM   1008  CG  LYS A 132     -41.396   3.471  10.862  1.00 96.67           C  
+ATOM   1009  CD  LYS A 132     -42.482   4.529  10.723  1.00 96.67           C  
+ATOM   1010  CE  LYS A 132     -41.974   5.909  11.118  1.00 96.67           C  
+ATOM   1011  NZ  LYS A 132     -43.023   6.957  10.943  1.00 96.67           N  
+ATOM   1012  N   ASP A 133     -41.406  -1.147   9.773  1.00 97.95           N  
+ATOM   1013  CA  ASP A 133     -42.063  -2.446   9.661  1.00 97.95           C  
+ATOM   1014  C   ASP A 133     -41.586  -3.399  10.755  1.00 97.95           C  
+ATOM   1015  CB  ASP A 133     -41.810  -3.059   8.282  1.00 97.95           C  
+ATOM   1016  O   ASP A 133     -40.390  -3.475  11.040  1.00 97.95           O  
+ATOM   1017  CG  ASP A 133     -42.450  -4.425   8.115  1.00 97.95           C  
+ATOM   1018  OD1 ASP A 133     -41.743  -5.449   8.236  1.00 97.95           O  
+ATOM   1019  OD2 ASP A 133     -43.672  -4.479   7.856  1.00 97.95           O  
+ATOM   1020  N   SER A 134     -42.557  -4.170  11.343  1.00 96.69           N  
+ATOM   1021  CA  SER A 134     -42.273  -5.070  12.456  1.00 96.69           C  
+ATOM   1022  C   SER A 134     -41.357  -6.211  12.024  1.00 96.69           C  
+ATOM   1023  CB  SER A 134     -43.571  -5.638  13.032  1.00 96.69           C  
+ATOM   1024  O   SER A 134     -40.494  -6.645  12.790  1.00 96.69           O  
+ATOM   1025  OG  SER A 134     -44.311  -6.316  12.031  1.00 96.69           O  
+ATOM   1026  N   GLY A 135     -41.574  -6.728  10.738  1.00 96.68           N  
+ATOM   1027  CA  GLY A 135     -40.699  -7.768  10.221  1.00 96.68           C  
+ATOM   1028  C   GLY A 135     -39.264  -7.308  10.045  1.00 96.68           C  
+ATOM   1029  O   GLY A 135     -38.328  -8.026  10.402  1.00 96.68           O  
+ATOM   1030  N   VAL A 136     -39.120  -6.072   9.537  1.00 97.37           N  
+ATOM   1031  CA  VAL A 136     -37.794  -5.496   9.344  1.00 97.37           C  
+ATOM   1032  C   VAL A 136     -37.116  -5.295  10.697  1.00 97.37           C  
+ATOM   1033  CB  VAL A 136     -37.864  -4.155   8.578  1.00 97.37           C  
+ATOM   1034  O   VAL A 136     -35.940  -5.628  10.865  1.00 97.37           O  
+ATOM   1035  CG1 VAL A 136     -36.495  -3.479   8.548  1.00 97.37           C  
+ATOM   1036  CG2 VAL A 136     -38.385  -4.378   7.160  1.00 97.37           C  
+ATOM   1037  N   GLN A 137     -37.843  -4.823  11.688  1.00 97.48           N  
+ATOM   1038  CA  GLN A 137     -37.314  -4.612  13.032  1.00 97.48           C  
+ATOM   1039  C   GLN A 137     -36.904  -5.934  13.675  1.00 97.48           C  
+ATOM   1040  CB  GLN A 137     -38.344  -3.899  13.908  1.00 97.48           C  
+ATOM   1041  O   GLN A 137     -35.879  -6.008  14.355  1.00 97.48           O  
+ATOM   1042  CG  GLN A 137     -38.568  -2.440  13.532  1.00 97.48           C  
+ATOM   1043  CD  GLN A 137     -37.328  -1.588  13.723  1.00 97.48           C  
+ATOM   1044  NE2 GLN A 137     -37.016  -0.763  12.729  1.00 97.48           N  
+ATOM   1045  OE1 GLN A 137     -36.656  -1.669  14.756  1.00 97.48           O  
+ATOM   1046  N   ALA A 138     -37.734  -6.954  13.402  1.00 94.93           N  
+ATOM   1047  CA  ALA A 138     -37.425  -8.286  13.918  1.00 94.93           C  
+ATOM   1048  C   ALA A 138     -36.118  -8.811  13.332  1.00 94.93           C  
+ATOM   1049  CB  ALA A 138     -38.567  -9.252  13.613  1.00 94.93           C  
+ATOM   1050  O   ALA A 138     -35.307  -9.409  14.044  1.00 94.93           O  
+ATOM   1051  N   CYS A 139     -35.928  -8.536  12.053  1.00 96.51           N  
+ATOM   1052  CA  CYS A 139     -34.707  -8.966  11.380  1.00 96.51           C  
+ATOM   1053  C   CYS A 139     -33.495  -8.210  11.914  1.00 96.51           C  
+ATOM   1054  CB  CYS A 139     -34.825  -8.757   9.871  1.00 96.51           C  
+ATOM   1055  O   CYS A 139     -32.428  -8.796  12.103  1.00 96.51           O  
+ATOM   1056  SG  CYS A 139     -33.448  -9.451   8.930  1.00 96.51           S  
+ATOM   1057  N   PHE A 140     -33.635  -6.945  12.131  1.00 95.43           N  
+ATOM   1058  CA  PHE A 140     -32.575  -6.117  12.693  1.00 95.43           C  
+ATOM   1059  C   PHE A 140     -32.123  -6.659  14.044  1.00 95.43           C  
+ATOM   1060  CB  PHE A 140     -33.044  -4.666  12.841  1.00 95.43           C  
+ATOM   1061  O   PHE A 140     -30.928  -6.667  14.348  1.00 95.43           O  
+ATOM   1062  CG  PHE A 140     -32.061  -3.779  13.555  1.00 95.43           C  
+ATOM   1063  CD1 PHE A 140     -32.310  -3.344  14.851  1.00 95.43           C  
+ATOM   1064  CD2 PHE A 140     -30.886  -3.381  12.931  1.00 95.43           C  
+ATOM   1065  CE1 PHE A 140     -31.401  -2.523  15.515  1.00 95.43           C  
+ATOM   1066  CE2 PHE A 140     -29.973  -2.561  13.588  1.00 95.43           C  
+ATOM   1067  CZ  PHE A 140     -30.233  -2.132  14.880  1.00 95.43           C  
+ATOM   1068  N   ASN A 141     -33.036  -7.161  14.860  1.00 92.70           N  
+ATOM   1069  CA  ASN A 141     -32.733  -7.700  16.181  1.00 92.70           C  
+ATOM   1070  C   ASN A 141     -31.935  -8.997  16.088  1.00 92.70           C  
+ATOM   1071  CB  ASN A 141     -34.021  -7.926  16.977  1.00 92.70           C  
+ATOM   1072  O   ASN A 141     -31.360  -9.450  17.079  1.00 92.70           O  
+ATOM   1073  CG  ASN A 141     -34.656  -6.629  17.439  1.00 92.70           C  
+ATOM   1074  ND2 ASN A 141     -35.977  -6.631  17.572  1.00 92.70           N  
+ATOM   1075  OD1 ASN A 141     -33.966  -5.634  17.674  1.00 92.70           O  
+ATOM   1076  N   ARG A 142     -31.853  -9.554  14.883  1.00 92.61           N  
+ATOM   1077  CA  ARG A 142     -31.081 -10.766  14.629  1.00 92.61           C  
+ATOM   1078  C   ARG A 142     -29.834 -10.459  13.807  1.00 92.61           C  
+ATOM   1079  CB  ARG A 142     -31.940 -11.809  13.910  1.00 92.61           C  
+ATOM   1080  O   ARG A 142     -29.421 -11.266  12.972  1.00 92.61           O  
+ATOM   1081  CG  ARG A 142     -33.107 -12.323  14.737  1.00 92.61           C  
+ATOM   1082  CD  ARG A 142     -33.989 -13.272  13.938  1.00 92.61           C  
+ATOM   1083  NE  ARG A 142     -33.266 -14.478  13.544  1.00 92.61           N  
+ATOM   1084  NH1 ARG A 142     -34.986 -15.343  12.268  1.00 92.61           N  
+ATOM   1085  NH2 ARG A 142     -33.011 -16.488  12.464  1.00 92.61           N  
+ATOM   1086  CZ  ARG A 142     -33.756 -15.434  12.759  1.00 92.61           C  
+ATOM   1087  N   SER A 143     -29.409  -9.155  13.952  1.00 91.73           N  
+ATOM   1088  CA  SER A 143     -28.330  -8.667  13.099  1.00 91.73           C  
+ATOM   1089  C   SER A 143     -27.026  -9.408  13.378  1.00 91.73           C  
+ATOM   1090  CB  SER A 143     -28.125  -7.165  13.300  1.00 91.73           C  
+ATOM   1091  O   SER A 143     -26.076  -9.317  12.598  1.00 91.73           O  
+ATOM   1092  OG  SER A 143     -27.843  -6.873  14.657  1.00 91.73           O  
+ATOM   1093  N   ARG A 144     -27.007 -10.259  14.457  1.00 88.02           N  
+ATOM   1094  CA  ARG A 144     -25.817 -11.057  14.731  1.00 88.02           C  
+ATOM   1095  C   ARG A 144     -25.653 -12.168  13.698  1.00 88.02           C  
+ATOM   1096  CB  ARG A 144     -25.882 -11.656  16.138  1.00 88.02           C  
+ATOM   1097  O   ARG A 144     -24.575 -12.751  13.572  1.00 88.02           O  
+ATOM   1098  CG  ARG A 144     -27.004 -12.665  16.327  1.00 88.02           C  
+ATOM   1099  CD  ARG A 144     -27.015 -13.238  17.737  1.00 88.02           C  
+ATOM   1100  NE  ARG A 144     -28.099 -14.199  17.919  1.00 88.02           N  
+ATOM   1101  NH1 ARG A 144     -28.156 -14.010  20.221  1.00 88.02           N  
+ATOM   1102  NH2 ARG A 144     -29.601 -15.429  19.146  1.00 88.02           N  
+ATOM   1103  CZ  ARG A 144     -28.616 -14.544  19.095  1.00 88.02           C  
+ATOM   1104  N   GLU A 145     -26.700 -12.492  12.894  1.00 90.20           N  
+ATOM   1105  CA  GLU A 145     -26.741 -13.614  11.960  1.00 90.20           C  
+ATOM   1106  C   GLU A 145     -26.267 -13.193  10.571  1.00 90.20           C  
+ATOM   1107  CB  GLU A 145     -28.154 -14.196  11.880  1.00 90.20           C  
+ATOM   1108  O   GLU A 145     -26.079 -14.036   9.692  1.00 90.20           O  
+ATOM   1109  CG  GLU A 145     -28.644 -14.804  13.186  1.00 90.20           C  
+ATOM   1110  CD  GLU A 145     -30.058 -15.356  13.098  1.00 90.20           C  
+ATOM   1111  OE1 GLU A 145     -30.859 -15.124  14.032  1.00 90.20           O  
+ATOM   1112  OE2 GLU A 145     -30.367 -16.026  12.088  1.00 90.20           O  
+ATOM   1113  N   TYR A 146     -26.134 -11.903  10.382  1.00 92.64           N  
+ATOM   1114  CA  TYR A 146     -25.606 -11.392   9.122  1.00 92.64           C  
+ATOM   1115  C   TYR A 146     -24.766 -10.141   9.350  1.00 92.64           C  
+ATOM   1116  CB  TYR A 146     -26.746 -11.084   8.147  1.00 92.64           C  
+ATOM   1117  O   TYR A 146     -24.705  -9.621  10.466  1.00 92.64           O  
+ATOM   1118  CG  TYR A 146     -27.716 -10.045   8.655  1.00 92.64           C  
+ATOM   1119  CD1 TYR A 146     -28.730 -10.387   9.546  1.00 92.64           C  
+ATOM   1120  CD2 TYR A 146     -27.620  -8.719   8.244  1.00 92.64           C  
+ATOM   1121  CE1 TYR A 146     -29.627  -9.433  10.015  1.00 92.64           C  
+ATOM   1122  CE2 TYR A 146     -28.512  -7.757   8.707  1.00 92.64           C  
+ATOM   1123  OH  TYR A 146     -30.395  -7.174  10.053  1.00 92.64           O  
+ATOM   1124  CZ  TYR A 146     -29.510  -8.123   9.591  1.00 92.64           C  
+ATOM   1125  N   GLN A 147     -24.113  -9.612   8.284  1.00 91.01           N  
+ATOM   1126  CA  GLN A 147     -23.211  -8.473   8.412  1.00 91.01           C  
+ATOM   1127  C   GLN A 147     -23.966  -7.155   8.270  1.00 91.01           C  
+ATOM   1128  CB  GLN A 147     -22.094  -8.553   7.371  1.00 91.01           C  
+ATOM   1129  O   GLN A 147     -24.534  -6.869   7.214  1.00 91.01           O  
+ATOM   1130  CG  GLN A 147     -21.237  -9.806   7.483  1.00 91.01           C  
+ATOM   1131  CD  GLN A 147     -20.443  -9.861   8.775  1.00 91.01           C  
+ATOM   1132  NE2 GLN A 147     -20.243 -11.067   9.297  1.00 91.01           N  
+ATOM   1133  OE1 GLN A 147     -20.014  -8.829   9.300  1.00 91.01           O  
+ATOM   1134  N   LEU A 148     -23.985  -6.348   9.422  1.00 93.80           N  
+ATOM   1135  CA  LEU A 148     -24.670  -5.060   9.433  1.00 93.80           C  
+ATOM   1136  C   LEU A 148     -23.803  -3.989  10.086  1.00 93.80           C  
+ATOM   1137  CB  LEU A 148     -26.007  -5.171  10.170  1.00 93.80           C  
+ATOM   1138  O   LEU A 148     -23.166  -4.240  11.111  1.00 93.80           O  
+ATOM   1139  CG  LEU A 148     -26.875  -3.912  10.191  1.00 93.80           C  
+ATOM   1140  CD1 LEU A 148     -27.350  -3.572   8.782  1.00 93.80           C  
+ATOM   1141  CD2 LEU A 148     -28.062  -4.096  11.131  1.00 93.80           C  
+ATOM   1142  N   ASN A 149     -23.816  -2.848   9.488  1.00 90.80           N  
+ATOM   1143  CA  ASN A 149     -23.082  -1.706  10.024  1.00 90.80           C  
+ATOM   1144  C   ASN A 149     -23.561  -1.340  11.425  1.00 90.80           C  
+ATOM   1145  CB  ASN A 149     -23.206  -0.502   9.088  1.00 90.80           C  
+ATOM   1146  O   ASN A 149     -24.765  -1.306  11.685  1.00 90.80           O  
+ATOM   1147  CG  ASN A 149     -22.243   0.615   9.443  1.00 90.80           C  
+ATOM   1148  ND2 ASN A 149     -22.141   1.609   8.570  1.00 90.80           N  
+ATOM   1149  OD1 ASN A 149     -21.597   0.583  10.494  1.00 90.80           O  
+ATOM   1150  N   ASP A 150     -22.647  -0.986  12.320  1.00 90.64           N  
+ATOM   1151  CA  ASP A 150     -22.967  -0.686  13.712  1.00 90.64           C  
+ATOM   1152  C   ASP A 150     -23.801   0.588  13.822  1.00 90.64           C  
+ATOM   1153  CB  ASP A 150     -21.687  -0.549  14.540  1.00 90.64           C  
+ATOM   1154  O   ASP A 150     -24.604   0.734  14.746  1.00 90.64           O  
+ATOM   1155  CG  ASP A 150     -20.987  -1.876  14.773  1.00 90.64           C  
+ATOM   1156  OD1 ASP A 150     -21.627  -2.939  14.622  1.00 90.64           O  
+ATOM   1157  OD2 ASP A 150     -19.784  -1.859  15.113  1.00 90.64           O  
+ATOM   1158  N   SER A 151     -23.618   1.467  12.823  1.00 93.44           N  
+ATOM   1159  CA  SER A 151     -24.262   2.776  12.874  1.00 93.44           C  
+ATOM   1160  C   SER A 151     -25.625   2.748  12.190  1.00 93.44           C  
+ATOM   1161  CB  SER A 151     -23.375   3.836  12.219  1.00 93.44           C  
+ATOM   1162  O   SER A 151     -26.237   3.796  11.971  1.00 93.44           O  
+ATOM   1163  OG  SER A 151     -22.161   3.987  12.934  1.00 93.44           O  
+ATOM   1164  N   ALA A 152     -26.062   1.517  11.783  1.00 94.88           N  
+ATOM   1165  CA  ALA A 152     -27.301   1.380  11.023  1.00 94.88           C  
+ATOM   1166  C   ALA A 152     -28.472   2.022  11.762  1.00 94.88           C  
+ATOM   1167  CB  ALA A 152     -27.595  -0.092  10.744  1.00 94.88           C  
+ATOM   1168  O   ALA A 152     -29.190   2.852  11.200  1.00 94.88           O  
+ATOM   1169  N   ALA A 153     -28.607   1.676  13.026  1.00 94.54           N  
+ATOM   1170  CA  ALA A 153     -29.733   2.167  13.816  1.00 94.54           C  
+ATOM   1171  C   ALA A 153     -29.653   3.679  14.004  1.00 94.54           C  
+ATOM   1172  CB  ALA A 153     -29.777   1.467  15.173  1.00 94.54           C  
+ATOM   1173  O   ALA A 153     -30.668   4.375  13.928  1.00 94.54           O  
+ATOM   1174  N   TYR A 154     -28.510   4.193  14.148  1.00 95.79           N  
+ATOM   1175  CA  TYR A 154     -28.285   5.622  14.336  1.00 95.79           C  
+ATOM   1176  C   TYR A 154     -28.815   6.417  13.149  1.00 95.79           C  
+ATOM   1177  CB  TYR A 154     -26.793   5.909  14.533  1.00 95.79           C  
+ATOM   1178  O   TYR A 154     -29.576   7.372  13.324  1.00 95.79           O  
+ATOM   1179  CG  TYR A 154     -26.456   7.381  14.549  1.00 95.79           C  
+ATOM   1180  CD1 TYR A 154     -25.973   8.017  13.408  1.00 95.79           C  
+ATOM   1181  CD2 TYR A 154     -26.619   8.136  15.705  1.00 95.79           C  
+ATOM   1182  CE1 TYR A 154     -25.659   9.373  13.419  1.00 95.79           C  
+ATOM   1183  CE2 TYR A 154     -26.308   9.492  15.728  1.00 95.79           C  
+ATOM   1184  OH  TYR A 154     -25.521  11.442  14.598  1.00 95.79           O  
+ATOM   1185  CZ  TYR A 154     -25.830  10.100  14.582  1.00 95.79           C  
+ATOM   1186  N   TYR A 155     -28.482   6.008  11.914  1.00 96.42           N  
+ATOM   1187  CA  TYR A 155     -28.868   6.735  10.709  1.00 96.42           C  
+ATOM   1188  C   TYR A 155     -30.335   6.494  10.374  1.00 96.42           C  
+ATOM   1189  CB  TYR A 155     -27.988   6.322   9.526  1.00 96.42           C  
+ATOM   1190  O   TYR A 155     -31.066   7.432  10.047  1.00 96.42           O  
+ATOM   1191  CG  TYR A 155     -26.567   6.821   9.624  1.00 96.42           C  
+ATOM   1192  CD1 TYR A 155     -26.295   8.159   9.901  1.00 96.42           C  
+ATOM   1193  CD2 TYR A 155     -25.493   5.957   9.439  1.00 96.42           C  
+ATOM   1194  CE1 TYR A 155     -24.987   8.624   9.990  1.00 96.42           C  
+ATOM   1195  CE2 TYR A 155     -24.181   6.411   9.526  1.00 96.42           C  
+ATOM   1196  OH  TYR A 155     -22.642   8.199   9.888  1.00 96.42           O  
+ATOM   1197  CZ  TYR A 155     -23.939   7.744   9.801  1.00 96.42           C  
+ATOM   1198  N   LEU A 156     -30.755   5.227  10.511  1.00 96.47           N  
+ATOM   1199  CA  LEU A 156     -32.115   4.885  10.111  1.00 96.47           C  
+ATOM   1200  C   LEU A 156     -33.135   5.528  11.046  1.00 96.47           C  
+ATOM   1201  CB  LEU A 156     -32.305   3.365  10.099  1.00 96.47           C  
+ATOM   1202  O   LEU A 156     -34.224   5.912  10.614  1.00 96.47           O  
+ATOM   1203  CG  LEU A 156     -31.587   2.602   8.985  1.00 96.47           C  
+ATOM   1204  CD1 LEU A 156     -31.614   1.103   9.266  1.00 96.47           C  
+ATOM   1205  CD2 LEU A 156     -32.220   2.909   7.632  1.00 96.47           C  
+ATOM   1206  N   ASN A 157     -32.772   5.712  12.336  1.00 96.33           N  
+ATOM   1207  CA  ASN A 157     -33.662   6.350  13.301  1.00 96.33           C  
+ATOM   1208  C   ASN A 157     -33.793   7.847  13.040  1.00 96.33           C  
+ATOM   1209  CB  ASN A 157     -33.172   6.101  14.729  1.00 96.33           C  
+ATOM   1210  O   ASN A 157     -34.800   8.459  13.400  1.00 96.33           O  
+ATOM   1211  CG  ASN A 157     -33.428   4.681  15.196  1.00 96.33           C  
+ATOM   1212  ND2 ASN A 157     -32.622   4.213  16.142  1.00 96.33           N  
+ATOM   1213  OD1 ASN A 157     -34.342   4.011  14.710  1.00 96.33           O  
+ATOM   1214  N   ASP A 158     -32.823   8.438  12.430  1.00 94.63           N  
+ATOM   1215  CA  ASP A 158     -32.819   9.879  12.200  1.00 94.63           C  
+ATOM   1216  C   ASP A 158     -32.925  10.199  10.711  1.00 94.63           C  
+ATOM   1217  CB  ASP A 158     -31.554  10.512  12.785  1.00 94.63           C  
+ATOM   1218  O   ASP A 158     -32.327  11.165  10.234  1.00 94.63           O  
+ATOM   1219  CG  ASP A 158     -31.673  10.814  14.268  1.00 94.63           C  
+ATOM   1220  OD1 ASP A 158     -32.799  10.771  14.811  1.00 94.63           O  
+ATOM   1221  OD2 ASP A 158     -30.633  11.100  14.900  1.00 94.63           O  
+ATOM   1222  N   LEU A 159     -33.641   9.422   9.935  1.00 94.06           N  
+ATOM   1223  CA  LEU A 159     -33.754   9.524   8.484  1.00 94.06           C  
+ATOM   1224  C   LEU A 159     -34.398  10.846   8.081  1.00 94.06           C  
+ATOM   1225  CB  LEU A 159     -34.569   8.354   7.926  1.00 94.06           C  
+ATOM   1226  O   LEU A 159     -34.052  11.420   7.046  1.00 94.06           O  
+ATOM   1227  CG  LEU A 159     -34.520   8.156   6.410  1.00 94.06           C  
+ATOM   1228  CD1 LEU A 159     -33.098   7.832   5.964  1.00 94.06           C  
+ATOM   1229  CD2 LEU A 159     -35.483   7.054   5.983  1.00 94.06           C  
+ATOM   1230  N   ASP A 160     -35.251  11.381   8.884  1.00 92.51           N  
+ATOM   1231  CA  ASP A 160     -35.931  12.637   8.582  1.00 92.51           C  
+ATOM   1232  C   ASP A 160     -34.939  13.796   8.510  1.00 92.51           C  
+ATOM   1233  CB  ASP A 160     -37.007  12.930   9.629  1.00 92.51           C  
+ATOM   1234  O   ASP A 160     -35.042  14.654   7.632  1.00 92.51           O  
+ATOM   1235  CG  ASP A 160     -38.208  12.007   9.519  1.00 92.51           C  
+ATOM   1236  OD1 ASP A 160     -38.539  11.567   8.397  1.00 92.51           O  
+ATOM   1237  OD2 ASP A 160     -38.832  11.720  10.564  1.00 92.51           O  
+ATOM   1238  N   ARG A 161     -33.981  13.731   9.414  1.00 94.42           N  
+ATOM   1239  CA  ARG A 161     -32.934  14.747   9.431  1.00 94.42           C  
+ATOM   1240  C   ARG A 161     -31.980  14.570   8.255  1.00 94.42           C  
+ATOM   1241  CB  ARG A 161     -32.157  14.696  10.748  1.00 94.42           C  
+ATOM   1242  O   ARG A 161     -31.641  15.539   7.572  1.00 94.42           O  
+ATOM   1243  CG  ARG A 161     -31.051  15.734  10.851  1.00 94.42           C  
+ATOM   1244  CD  ARG A 161     -30.300  15.629  12.171  1.00 94.42           C  
+ATOM   1245  NE  ARG A 161     -29.613  14.346  12.300  1.00 94.42           N  
+ATOM   1246  NH1 ARG A 161     -27.889  14.891  10.861  1.00 94.42           N  
+ATOM   1247  NH2 ARG A 161     -27.944  12.830  11.864  1.00 94.42           N  
+ATOM   1248  CZ  ARG A 161     -28.484  14.025  11.675  1.00 94.42           C  
+ATOM   1249  N   ILE A 162     -31.635  13.368   7.956  1.00 93.00           N  
+ATOM   1250  CA  ILE A 162     -30.604  13.033   6.981  1.00 93.00           C  
+ATOM   1251  C   ILE A 162     -31.142  13.240   5.567  1.00 93.00           C  
+ATOM   1252  CB  ILE A 162     -30.109  11.579   7.158  1.00 93.00           C  
+ATOM   1253  O   ILE A 162     -30.375  13.488   4.634  1.00 93.00           O  
+ATOM   1254  CG1 ILE A 162     -29.416  11.413   8.515  1.00 93.00           C  
+ATOM   1255  CG2 ILE A 162     -29.173  11.184   6.012  1.00 93.00           C  
+ATOM   1256  CD1 ILE A 162     -29.153   9.964   8.902  1.00 93.00           C  
+ATOM   1257  N   ALA A 163     -32.488  13.113   5.390  1.00 91.65           N  
+ATOM   1258  CA  ALA A 163     -33.089  13.152   4.059  1.00 91.65           C  
+ATOM   1259  C   ALA A 163     -33.432  14.583   3.654  1.00 91.65           C  
+ATOM   1260  CB  ALA A 163     -34.337  12.275   4.013  1.00 91.65           C  
+ATOM   1261  O   ALA A 163     -33.866  14.828   2.526  1.00 91.65           O  
+ATOM   1262  N   GLN A 164     -33.153  15.592   4.536  1.00 91.66           N  
+ATOM   1263  CA  GLN A 164     -33.415  16.990   4.211  1.00 91.66           C  
+ATOM   1264  C   GLN A 164     -32.491  17.477   3.098  1.00 91.66           C  
+ATOM   1265  CB  GLN A 164     -33.253  17.870   5.451  1.00 91.66           C  
+ATOM   1266  O   GLN A 164     -31.316  17.108   3.053  1.00 91.66           O  
+ATOM   1267  CG  GLN A 164     -34.320  17.639   6.513  1.00 91.66           C  
+ATOM   1268  CD  GLN A 164     -35.700  18.082   6.064  1.00 91.66           C  
+ATOM   1269  NE2 GLN A 164     -36.733  17.477   6.639  1.00 91.66           N  
+ATOM   1270  OE1 GLN A 164     -35.836  18.963   5.209  1.00 91.66           O  
+ATOM   1271  N   PRO A 165     -32.980  18.259   2.105  1.00 86.96           N  
+ATOM   1272  CA  PRO A 165     -32.173  18.751   0.986  1.00 86.96           C  
+ATOM   1273  C   PRO A 165     -30.981  19.590   1.442  1.00 86.96           C  
+ATOM   1274  CB  PRO A 165     -33.162  19.599   0.184  1.00 86.96           C  
+ATOM   1275  O   PRO A 165     -29.918  19.551   0.816  1.00 86.96           O  
+ATOM   1276  CG  PRO A 165     -34.510  19.078   0.566  1.00 86.96           C  
+ATOM   1277  CD  PRO A 165     -34.432  18.532   1.963  1.00 86.96           C  
+ATOM   1278  N   ASN A 166     -31.097  20.289   2.585  1.00 90.30           N  
+ATOM   1279  CA  ASN A 166     -30.013  21.127   3.088  1.00 90.30           C  
+ATOM   1280  C   ASN A 166     -29.212  20.415   4.174  1.00 90.30           C  
+ATOM   1281  CB  ASN A 166     -30.562  22.454   3.616  1.00 90.30           C  
+ATOM   1282  O   ASN A 166     -28.548  21.062   4.986  1.00 90.30           O  
+ATOM   1283  CG  ASN A 166     -31.585  22.265   4.719  1.00 90.30           C  
+ATOM   1284  ND2 ASN A 166     -31.821  23.316   5.495  1.00 90.30           N  
+ATOM   1285  OD1 ASN A 166     -32.159  21.184   4.872  1.00 90.30           O  
+ATOM   1286  N   TYR A 167     -29.254  19.175   4.239  1.00 93.27           N  
+ATOM   1287  CA  TYR A 167     -28.585  18.381   5.263  1.00 93.27           C  
+ATOM   1288  C   TYR A 167     -27.070  18.495   5.139  1.00 93.27           C  
+ATOM   1289  CB  TYR A 167     -29.007  16.912   5.166  1.00 93.27           C  
+ATOM   1290  O   TYR A 167     -26.512  18.287   4.060  1.00 93.27           O  
+ATOM   1291  CG  TYR A 167     -28.163  15.981   6.003  1.00 93.27           C  
+ATOM   1292  CD1 TYR A 167     -27.351  15.019   5.406  1.00 93.27           C  
+ATOM   1293  CD2 TYR A 167     -28.178  16.060   7.391  1.00 93.27           C  
+ATOM   1294  CE1 TYR A 167     -26.574  14.158   6.174  1.00 93.27           C  
+ATOM   1295  CE2 TYR A 167     -27.404  15.205   8.169  1.00 93.27           C  
+ATOM   1296  OH  TYR A 167     -25.839  13.409   8.317  1.00 93.27           O  
+ATOM   1297  CZ  TYR A 167     -26.607  14.258   7.552  1.00 93.27           C  
+ATOM   1298  N   ILE A 168     -26.494  18.818   6.232  1.00 93.13           N  
+ATOM   1299  CA  ILE A 168     -25.043  18.784   6.376  1.00 93.13           C  
+ATOM   1300  C   ILE A 168     -24.661  17.875   7.542  1.00 93.13           C  
+ATOM   1301  CB  ILE A 168     -24.462  20.200   6.588  1.00 93.13           C  
+ATOM   1302  O   ILE A 168     -25.107  18.086   8.673  1.00 93.13           O  
+ATOM   1303  CG1 ILE A 168     -24.814  21.104   5.401  1.00 93.13           C  
+ATOM   1304  CG2 ILE A 168     -22.947  20.137   6.798  1.00 93.13           C  
+ATOM   1305  CD1 ILE A 168     -24.450  22.568   5.608  1.00 93.13           C  
+ATOM   1306  N   PRO A 169     -23.868  16.849   7.248  1.00 96.12           N  
+ATOM   1307  CA  PRO A 169     -23.489  15.931   8.324  1.00 96.12           C  
+ATOM   1308  C   PRO A 169     -22.843  16.645   9.509  1.00 96.12           C  
+ATOM   1309  CB  PRO A 169     -22.494  14.985   7.647  1.00 96.12           C  
+ATOM   1310  O   PRO A 169     -22.041  17.564   9.318  1.00 96.12           O  
+ATOM   1311  CG  PRO A 169     -22.856  15.024   6.198  1.00 96.12           C  
+ATOM   1312  CD  PRO A 169     -23.311  16.414   5.856  1.00 96.12           C  
+ATOM   1313  N   THR A 170     -23.255  16.197  10.692  1.00 95.02           N  
+ATOM   1314  CA  THR A 170     -22.629  16.702  11.909  1.00 95.02           C  
+ATOM   1315  C   THR A 170     -21.314  15.977  12.183  1.00 95.02           C  
+ATOM   1316  CB  THR A 170     -23.564  16.550  13.123  1.00 95.02           C  
+ATOM   1317  O   THR A 170     -21.000  14.982  11.525  1.00 95.02           O  
+ATOM   1318  CG2 THR A 170     -24.920  17.196  12.857  1.00 95.02           C  
+ATOM   1319  OG1 THR A 170     -23.758  15.157  13.398  1.00 95.02           O  
+ATOM   1320  N   GLN A 171     -20.570  16.444  13.084  1.00 93.40           N  
+ATOM   1321  CA  GLN A 171     -19.335  15.765  13.464  1.00 93.40           C  
+ATOM   1322  C   GLN A 171     -19.619  14.359  13.985  1.00 93.40           C  
+ATOM   1323  CB  GLN A 171     -18.580  16.574  14.520  1.00 93.40           C  
+ATOM   1324  O   GLN A 171     -18.842  13.433  13.742  1.00 93.40           O  
+ATOM   1325  CG  GLN A 171     -17.926  17.836  13.976  1.00 93.40           C  
+ATOM   1326  CD  GLN A 171     -16.987  18.488  14.974  1.00 93.40           C  
+ATOM   1327  NE2 GLN A 171     -16.479  19.666  14.629  1.00 93.40           N  
+ATOM   1328  OE1 GLN A 171     -16.721  17.937  16.047  1.00 93.40           O  
+ATOM   1329  N   GLN A 172     -20.779  14.310  14.601  1.00 94.24           N  
+ATOM   1330  CA  GLN A 172     -21.185  13.002  15.104  1.00 94.24           C  
+ATOM   1331  C   GLN A 172     -21.517  12.051  13.957  1.00 94.24           C  
+ATOM   1332  CB  GLN A 172     -22.386  13.135  16.040  1.00 94.24           C  
+ATOM   1333  O   GLN A 172     -21.196  10.863  14.016  1.00 94.24           O  
+ATOM   1334  CG  GLN A 172     -22.744  11.847  16.769  1.00 94.24           C  
+ATOM   1335  CD  GLN A 172     -21.610  11.328  17.634  1.00 94.24           C  
+ATOM   1336  NE2 GLN A 172     -21.631  10.031  17.924  1.00 94.24           N  
+ATOM   1337  OE1 GLN A 172     -20.722  12.086  18.037  1.00 94.24           O  
+ATOM   1338  N   ASP A 173     -22.113  12.581  12.877  1.00 95.81           N  
+ATOM   1339  CA  ASP A 173     -22.389  11.781  11.689  1.00 95.81           C  
+ATOM   1340  C   ASP A 173     -21.095  11.295  11.041  1.00 95.81           C  
+ATOM   1341  CB  ASP A 173     -23.213  12.584  10.680  1.00 95.81           C  
+ATOM   1342  O   ASP A 173     -20.989  10.131  10.649  1.00 95.81           O  
+ATOM   1343  CG  ASP A 173     -24.604  12.923  11.187  1.00 95.81           C  
+ATOM   1344  OD1 ASP A 173     -25.162  12.154  11.998  1.00 95.81           O  
+ATOM   1345  OD2 ASP A 173     -25.147  13.969  10.769  1.00 95.81           O  
+ATOM   1346  N   VAL A 174     -20.213  12.213  11.086  1.00 94.69           N  
+ATOM   1347  CA  VAL A 174     -18.925  11.912  10.469  1.00 94.69           C  
+ATOM   1348  C   VAL A 174     -18.223  10.804  11.251  1.00 94.69           C  
+ATOM   1349  CB  VAL A 174     -18.024  13.165  10.397  1.00 94.69           C  
+ATOM   1350  O   VAL A 174     -17.705   9.853  10.662  1.00 94.69           O  
+ATOM   1351  CG1 VAL A 174     -16.627  12.798   9.901  1.00 94.69           C  
+ATOM   1352  CG2 VAL A 174     -18.655  14.223   9.493  1.00 94.69           C  
+ATOM   1353  N   LEU A 175     -18.289  10.819  12.566  1.00 94.22           N  
+ATOM   1354  CA  LEU A 175     -17.641   9.836  13.428  1.00 94.22           C  
+ATOM   1355  C   LEU A 175     -18.250   8.452  13.229  1.00 94.22           C  
+ATOM   1356  CB  LEU A 175     -17.758  10.251  14.897  1.00 94.22           C  
+ATOM   1357  O   LEU A 175     -17.562   7.439  13.378  1.00 94.22           O  
+ATOM   1358  CG  LEU A 175     -16.830  11.375  15.360  1.00 94.22           C  
+ATOM   1359  CD1 LEU A 175     -17.143  11.761  16.802  1.00 94.22           C  
+ATOM   1360  CD2 LEU A 175     -15.371  10.956  15.219  1.00 94.22           C  
+ATOM   1361  N   ARG A 176     -19.460   8.382  12.756  1.00 94.34           N  
+ATOM   1362  CA  ARG A 176     -20.194   7.122  12.699  1.00 94.34           C  
+ATOM   1363  C   ARG A 176     -20.154   6.529  11.294  1.00 94.34           C  
+ATOM   1364  CB  ARG A 176     -21.645   7.324  13.141  1.00 94.34           C  
+ATOM   1365  O   ARG A 176     -20.695   5.447  11.056  1.00 94.34           O  
+ATOM   1366  CG  ARG A 176     -21.796   7.702  14.606  1.00 94.34           C  
+ATOM   1367  CD  ARG A 176     -22.164   6.500  15.463  1.00 94.34           C  
+ATOM   1368  NE  ARG A 176     -22.535   6.898  16.818  1.00 94.34           N  
+ATOM   1369  NH1 ARG A 176     -22.561   4.749  17.665  1.00 94.34           N  
+ATOM   1370  NH2 ARG A 176     -23.053   6.528  19.025  1.00 94.34           N  
+ATOM   1371  CZ  ARG A 176     -22.716   6.057  17.833  1.00 94.34           C  
+ATOM   1372  N   THR A 177     -19.528   7.337  10.423  1.00 94.24           N  
+ATOM   1373  CA  THR A 177     -19.397   6.817   9.066  1.00 94.24           C  
+ATOM   1374  C   THR A 177     -18.400   5.663   9.023  1.00 94.24           C  
+ATOM   1375  CB  THR A 177     -18.954   7.919   8.086  1.00 94.24           C  
+ATOM   1376  O   THR A 177     -17.431   5.644   9.785  1.00 94.24           O  
+ATOM   1377  CG2 THR A 177     -20.005   9.020   7.985  1.00 94.24           C  
+ATOM   1378  OG1 THR A 177     -17.722   8.490   8.543  1.00 94.24           O  
+ATOM   1379  N   ARG A 178     -18.725   4.805   8.111  1.00 90.74           N  
+ATOM   1380  CA  ARG A 178     -17.836   3.662   7.929  1.00 90.74           C  
+ATOM   1381  C   ARG A 178     -17.300   3.607   6.503  1.00 90.74           C  
+ATOM   1382  CB  ARG A 178     -18.561   2.358   8.267  1.00 90.74           C  
+ATOM   1383  O   ARG A 178     -18.073   3.543   5.545  1.00 90.74           O  
+ATOM   1384  CG  ARG A 178     -17.694   1.117   8.127  1.00 90.74           C  
+ATOM   1385  CD  ARG A 178     -18.505  -0.160   8.299  1.00 90.74           C  
+ATOM   1386  NE  ARG A 178     -17.692  -1.350   8.068  1.00 90.74           N  
+ATOM   1387  NH1 ARG A 178     -19.488  -2.778   7.800  1.00 90.74           N  
+ATOM   1388  NH2 ARG A 178     -17.346  -3.580   7.638  1.00 90.74           N  
+ATOM   1389  CZ  ARG A 178     -18.177  -2.567   7.836  1.00 90.74           C  
+ATOM   1390  N   VAL A 179     -15.954   3.600   6.446  1.00 88.30           N  
+ATOM   1391  CA  VAL A 179     -15.220   3.370   5.206  1.00 88.30           C  
+ATOM   1392  C   VAL A 179     -14.111   2.348   5.444  1.00 88.30           C  
+ATOM   1393  CB  VAL A 179     -14.626   4.681   4.646  1.00 88.30           C  
+ATOM   1394  O   VAL A 179     -13.308   2.498   6.368  1.00 88.30           O  
+ATOM   1395  CG1 VAL A 179     -13.942   4.434   3.303  1.00 88.30           C  
+ATOM   1396  CG2 VAL A 179     -15.715   5.743   4.507  1.00 88.30           C  
+ATOM   1397  N   LYS A 180     -14.154   1.349   4.573  1.00 86.22           N  
+ATOM   1398  CA  LYS A 180     -13.064   0.386   4.689  1.00 86.22           C  
+ATOM   1399  C   LYS A 180     -11.710   1.060   4.483  1.00 86.22           C  
+ATOM   1400  CB  LYS A 180     -13.242  -0.751   3.682  1.00 86.22           C  
+ATOM   1401  O   LYS A 180     -11.513   1.782   3.504  1.00 86.22           O  
+ATOM   1402  CG  LYS A 180     -14.450  -1.635   3.953  1.00 86.22           C  
+ATOM   1403  CD  LYS A 180     -14.566  -2.754   2.926  1.00 86.22           C  
+ATOM   1404  CE  LYS A 180     -15.821  -3.588   3.146  1.00 86.22           C  
+ATOM   1405  NZ  LYS A 180     -15.959  -4.663   2.119  1.00 86.22           N  
+ATOM   1406  N   THR A 181     -10.873   0.961   5.540  1.00 84.17           N  
+ATOM   1407  CA  THR A 181      -9.560   1.588   5.436  1.00 84.17           C  
+ATOM   1408  C   THR A 181      -8.614   0.725   4.606  1.00 84.17           C  
+ATOM   1409  CB  THR A 181      -8.947   1.835   6.827  1.00 84.17           C  
+ATOM   1410  O   THR A 181      -8.427  -0.458   4.898  1.00 84.17           O  
+ATOM   1411  CG2 THR A 181      -7.659   2.644   6.724  1.00 84.17           C  
+ATOM   1412  OG1 THR A 181      -9.887   2.554   7.636  1.00 84.17           O  
+ATOM   1413  N   THR A 182      -8.162   1.332   3.457  1.00 80.98           N  
+ATOM   1414  CA  THR A 182      -7.145   0.648   2.666  1.00 80.98           C  
+ATOM   1415  C   THR A 182      -5.778   1.294   2.867  1.00 80.98           C  
+ATOM   1416  CB  THR A 182      -7.504   0.656   1.168  1.00 80.98           C  
+ATOM   1417  O   THR A 182      -5.669   2.520   2.938  1.00 80.98           O  
+ATOM   1418  CG2 THR A 182      -8.811  -0.088   0.912  1.00 80.98           C  
+ATOM   1419  OG1 THR A 182      -7.643   2.011   0.723  1.00 80.98           O  
+ATOM   1420  N   GLY A 183      -4.774   0.494   3.158  1.00 81.55           N  
+ATOM   1421  CA  GLY A 183      -3.420   1.006   3.292  1.00 81.55           C  
+ATOM   1422  C   GLY A 183      -3.136   1.590   4.663  1.00 81.55           C  
+ATOM   1423  O   GLY A 183      -3.721   1.160   5.660  1.00 81.55           O  
+ATOM   1424  N   ILE A 184      -2.182   2.543   4.765  1.00 83.61           N  
+ATOM   1425  CA  ILE A 184      -1.739   3.153   6.014  1.00 83.61           C  
+ATOM   1426  C   ILE A 184      -1.998   4.657   5.974  1.00 83.61           C  
+ATOM   1427  CB  ILE A 184      -0.243   2.873   6.280  1.00 83.61           C  
+ATOM   1428  O   ILE A 184      -1.555   5.345   5.051  1.00 83.61           O  
+ATOM   1429  CG1 ILE A 184       0.025   1.364   6.290  1.00 83.61           C  
+ATOM   1430  CG2 ILE A 184       0.201   3.518   7.596  1.00 83.61           C  
+ATOM   1431  CD1 ILE A 184       1.502   0.997   6.261  1.00 83.61           C  
+ATOM   1432  N   VAL A 185      -2.848   5.101   6.897  1.00 86.06           N  
+ATOM   1433  CA  VAL A 185      -3.129   6.529   6.998  1.00 86.06           C  
+ATOM   1434  C   VAL A 185      -2.358   7.127   8.173  1.00 86.06           C  
+ATOM   1435  CB  VAL A 185      -4.641   6.800   7.160  1.00 86.06           C  
+ATOM   1436  O   VAL A 185      -2.420   6.610   9.291  1.00 86.06           O  
+ATOM   1437  CG1 VAL A 185      -4.911   8.299   7.283  1.00 86.06           C  
+ATOM   1438  CG2 VAL A 185      -5.418   6.209   5.984  1.00 86.06           C  
+ATOM   1439  N   GLU A 186      -1.644   8.254   7.889  1.00 88.36           N  
+ATOM   1440  CA  GLU A 186      -0.837   8.936   8.897  1.00 88.36           C  
+ATOM   1441  C   GLU A 186      -1.473  10.260   9.310  1.00 88.36           C  
+ATOM   1442  CB  GLU A 186       0.583   9.174   8.378  1.00 88.36           C  
+ATOM   1443  O   GLU A 186      -1.831  11.076   8.457  1.00 88.36           O  
+ATOM   1444  CG  GLU A 186       1.492   9.880   9.374  1.00 88.36           C  
+ATOM   1445  CD  GLU A 186       2.876  10.174   8.819  1.00 88.36           C  
+ATOM   1446  OE1 GLU A 186       3.638  10.934   9.460  1.00 88.36           O  
+ATOM   1447  OE2 GLU A 186       3.202   9.641   7.735  1.00 88.36           O  
+ATOM   1448  N   THR A 187      -1.622  10.463  10.624  1.00 88.16           N  
+ATOM   1449  CA  THR A 187      -2.182  11.694  11.171  1.00 88.16           C  
+ATOM   1450  C   THR A 187      -1.245  12.299  12.212  1.00 88.16           C  
+ATOM   1451  CB  THR A 187      -3.564  11.445  11.803  1.00 88.16           C  
+ATOM   1452  O   THR A 187      -0.707  11.585  13.061  1.00 88.16           O  
+ATOM   1453  CG2 THR A 187      -4.213  12.754  12.240  1.00 88.16           C  
+ATOM   1454  OG1 THR A 187      -4.413  10.801  10.845  1.00 88.16           O  
+ATOM   1455  N   HIS A 188      -1.077  13.684  12.110  1.00 88.21           N  
+ATOM   1456  CA  HIS A 188      -0.180  14.394  13.015  1.00 88.21           C  
+ATOM   1457  C   HIS A 188      -0.955  15.326  13.940  1.00 88.21           C  
+ATOM   1458  CB  HIS A 188       0.863  15.186  12.225  1.00 88.21           C  
+ATOM   1459  O   HIS A 188      -1.925  15.960  13.518  1.00 88.21           O  
+ATOM   1460  CG  HIS A 188       1.702  14.338  11.321  1.00 88.21           C  
+ATOM   1461  CD2 HIS A 188       1.364  13.339  10.473  1.00 88.21           C  
+ATOM   1462  ND1 HIS A 188       3.070  14.478  11.228  1.00 88.21           N  
+ATOM   1463  CE1 HIS A 188       3.537  13.599  10.357  1.00 88.21           C  
+ATOM   1464  NE2 HIS A 188       2.522  12.895   9.885  1.00 88.21           N  
+ATOM   1465  N   PHE A 189      -0.576  15.342  15.183  1.00 88.14           N  
+ATOM   1466  CA  PHE A 189      -1.146  16.315  16.108  1.00 88.14           C  
+ATOM   1467  C   PHE A 189      -0.184  16.598  17.255  1.00 88.14           C  
+ATOM   1468  CB  PHE A 189      -2.486  15.815  16.657  1.00 88.14           C  
+ATOM   1469  O   PHE A 189       0.750  15.831  17.494  1.00 88.14           O  
+ATOM   1470  CG  PHE A 189      -2.378  14.543  17.454  1.00 88.14           C  
+ATOM   1471  CD1 PHE A 189      -2.396  13.306  16.822  1.00 88.14           C  
+ATOM   1472  CD2 PHE A 189      -2.259  14.585  18.837  1.00 88.14           C  
+ATOM   1473  CE1 PHE A 189      -2.297  12.127  17.558  1.00 88.14           C  
+ATOM   1474  CE2 PHE A 189      -2.160  13.412  19.579  1.00 88.14           C  
+ATOM   1475  CZ  PHE A 189      -2.180  12.184  18.938  1.00 88.14           C  
+ATOM   1476  N   THR A 190      -0.318  17.786  17.858  1.00 84.14           N  
+ATOM   1477  CA  THR A 190       0.532  18.197  18.971  1.00 84.14           C  
+ATOM   1478  C   THR A 190      -0.254  18.199  20.279  1.00 84.14           C  
+ATOM   1479  CB  THR A 190       1.134  19.593  18.728  1.00 84.14           C  
+ATOM   1480  O   THR A 190      -1.413  18.617  20.312  1.00 84.14           O  
+ATOM   1481  CG2 THR A 190       2.105  19.576  17.552  1.00 84.14           C  
+ATOM   1482  OG1 THR A 190       0.078  20.520  18.449  1.00 84.14           O  
+ATOM   1483  N   PHE A 191       0.338  17.581  21.233  1.00 82.29           N  
+ATOM   1484  CA  PHE A 191      -0.251  17.512  22.565  1.00 82.29           C  
+ATOM   1485  C   PHE A 191       0.821  17.655  23.639  1.00 82.29           C  
+ATOM   1486  CB  PHE A 191      -1.008  16.193  22.752  1.00 82.29           C  
+ATOM   1487  O   PHE A 191       1.807  16.916  23.643  1.00 82.29           O  
+ATOM   1488  CG  PHE A 191      -1.672  16.060  24.096  1.00 82.29           C  
+ATOM   1489  CD1 PHE A 191      -1.161  15.196  25.057  1.00 82.29           C  
+ATOM   1490  CD2 PHE A 191      -2.809  16.799  24.398  1.00 82.29           C  
+ATOM   1491  CE1 PHE A 191      -1.774  15.070  26.302  1.00 82.29           C  
+ATOM   1492  CE2 PHE A 191      -3.427  16.679  25.640  1.00 82.29           C  
+ATOM   1493  CZ  PHE A 191      -2.908  15.813  26.590  1.00 82.29           C  
+ATOM   1494  N   LYS A 192       0.700  18.650  24.588  1.00 79.41           N  
+ATOM   1495  CA  LYS A 192       1.634  18.947  25.670  1.00 79.41           C  
+ATOM   1496  C   LYS A 192       3.049  19.149  25.136  1.00 79.41           C  
+ATOM   1497  CB  LYS A 192       1.622  17.827  26.712  1.00 79.41           C  
+ATOM   1498  O   LYS A 192       4.000  18.552  25.644  1.00 79.41           O  
+ATOM   1499  CG  LYS A 192       0.325  17.731  27.503  1.00 79.41           C  
+ATOM   1500  CD  LYS A 192       0.450  16.752  28.664  1.00 79.41           C  
+ATOM   1501  CE  LYS A 192      -0.788  16.775  29.550  1.00 79.41           C  
+ATOM   1502  NZ  LYS A 192      -0.657  15.841  30.709  1.00 79.41           N  
+ATOM   1503  N   ASP A 193       3.245  19.785  23.932  1.00 77.32           N  
+ATOM   1504  CA  ASP A 193       4.510  20.182  23.320  1.00 77.32           C  
+ATOM   1505  C   ASP A 193       5.225  18.979  22.708  1.00 77.32           C  
+ATOM   1506  CB  ASP A 193       5.414  20.862  24.350  1.00 77.32           C  
+ATOM   1507  O   ASP A 193       6.423  19.042  22.423  1.00 77.32           O  
+ATOM   1508  CG  ASP A 193       4.882  22.209  24.808  1.00 77.32           C  
+ATOM   1509  OD1 ASP A 193       4.281  22.938  23.989  1.00 77.32           O  
+ATOM   1510  OD2 ASP A 193       5.068  22.546  25.997  1.00 77.32           O  
+ATOM   1511  N   LEU A 194       4.509  17.815  22.740  1.00 80.43           N  
+ATOM   1512  CA  LEU A 194       5.033  16.643  22.048  1.00 80.43           C  
+ATOM   1513  C   LEU A 194       4.325  16.438  20.712  1.00 80.43           C  
+ATOM   1514  CB  LEU A 194       4.877  15.392  22.917  1.00 80.43           C  
+ATOM   1515  O   LEU A 194       3.117  16.663  20.604  1.00 80.43           O  
+ATOM   1516  CG  LEU A 194       5.727  15.340  24.188  1.00 80.43           C  
+ATOM   1517  CD1 LEU A 194       5.295  14.171  25.067  1.00 80.43           C  
+ATOM   1518  CD2 LEU A 194       7.207  15.234  23.838  1.00 80.43           C  
+ATOM   1519  N   HIS A 195       5.062  16.106  19.753  1.00 84.52           N  
+ATOM   1520  CA  HIS A 195       4.523  15.822  18.428  1.00 84.52           C  
+ATOM   1521  C   HIS A 195       4.155  14.349  18.286  1.00 84.52           C  
+ATOM   1522  CB  HIS A 195       5.528  16.219  17.345  1.00 84.52           C  
+ATOM   1523  O   HIS A 195       4.998  13.472  18.489  1.00 84.52           O  
+ATOM   1524  CG  HIS A 195       5.766  17.693  17.257  1.00 84.52           C  
+ATOM   1525  CD2 HIS A 195       6.809  18.452  17.668  1.00 84.52           C  
+ATOM   1526  ND1 HIS A 195       4.857  18.560  16.690  1.00 84.52           N  
+ATOM   1527  CE1 HIS A 195       5.333  19.792  16.756  1.00 84.52           C  
+ATOM   1528  NE2 HIS A 195       6.516  19.754  17.345  1.00 84.52           N  
+ATOM   1529  N   PHE A 196       2.850  14.095  17.987  1.00 88.05           N  
+ATOM   1530  CA  PHE A 196       2.359  12.729  17.843  1.00 88.05           C  
+ATOM   1531  C   PHE A 196       2.125  12.390  16.376  1.00 88.05           C  
+ATOM   1532  CB  PHE A 196       1.066  12.534  18.640  1.00 88.05           C  
+ATOM   1533  O   PHE A 196       1.571  13.197  15.627  1.00 88.05           O  
+ATOM   1534  CG  PHE A 196       1.273  12.472  20.129  1.00 88.05           C  
+ATOM   1535  CD1 PHE A 196       1.332  11.249  20.786  1.00 88.05           C  
+ATOM   1536  CD2 PHE A 196       1.410  13.637  20.872  1.00 88.05           C  
+ATOM   1537  CE1 PHE A 196       1.525  11.188  22.164  1.00 88.05           C  
+ATOM   1538  CE2 PHE A 196       1.602  13.584  22.250  1.00 88.05           C  
+ATOM   1539  CZ  PHE A 196       1.658  12.359  22.894  1.00 88.05           C  
+ATOM   1540  N   LYS A 197       2.641  11.249  16.081  1.00 89.27           N  
+ATOM   1541  CA  LYS A 197       2.335  10.643  14.788  1.00 89.27           C  
+ATOM   1542  C   LYS A 197       1.534   9.356  14.959  1.00 89.27           C  
+ATOM   1543  CB  LYS A 197       3.621  10.361  14.010  1.00 89.27           C  
+ATOM   1544  O   LYS A 197       2.041   8.370  15.499  1.00 89.27           O  
+ATOM   1545  CG  LYS A 197       4.285  11.606  13.439  1.00 89.27           C  
+ATOM   1546  CD  LYS A 197       5.454  11.248  12.530  1.00 89.27           C  
+ATOM   1547  CE  LYS A 197       6.167  12.493  12.019  1.00 89.27           C  
+ATOM   1548  NZ  LYS A 197       7.326  12.148  11.143  1.00 89.27           N  
+ATOM   1549  N   MET A 198       0.309   9.459  14.469  1.00 91.60           N  
+ATOM   1550  CA  MET A 198      -0.580   8.314  14.643  1.00 91.60           C  
+ATOM   1551  C   MET A 198      -0.796   7.587  13.320  1.00 91.60           C  
+ATOM   1552  CB  MET A 198      -1.924   8.759  15.222  1.00 91.60           C  
+ATOM   1553  O   MET A 198      -1.086   8.217  12.301  1.00 91.60           O  
+ATOM   1554  CG  MET A 198      -2.844   7.607  15.591  1.00 91.60           C  
+ATOM   1555  SD  MET A 198      -4.378   8.171  16.424  1.00 91.60           S  
+ATOM   1556  CE  MET A 198      -3.707   8.654  18.039  1.00 91.60           C  
+ATOM   1557  N   PHE A 199      -0.596   6.256  13.395  1.00 92.06           N  
+ATOM   1558  CA  PHE A 199      -0.734   5.439  12.195  1.00 92.06           C  
+ATOM   1559  C   PHE A 199      -1.975   4.559  12.278  1.00 92.06           C  
+ATOM   1560  CB  PHE A 199       0.512   4.572  11.987  1.00 92.06           C  
+ATOM   1561  O   PHE A 199      -2.121   3.770  13.213  1.00 92.06           O  
+ATOM   1562  CG  PHE A 199       1.771   5.363  11.755  1.00 92.06           C  
+ATOM   1563  CD1 PHE A 199       2.129   5.765  10.475  1.00 92.06           C  
+ATOM   1564  CD2 PHE A 199       2.596   5.704  12.819  1.00 92.06           C  
+ATOM   1565  CE1 PHE A 199       3.294   6.498  10.257  1.00 92.06           C  
+ATOM   1566  CE2 PHE A 199       3.762   6.436  12.609  1.00 92.06           C  
+ATOM   1567  CZ  PHE A 199       4.109   6.831  11.327  1.00 92.06           C  
+ATOM   1568  N   ASP A 200      -2.852   4.773  11.276  1.00 94.42           N  
+ATOM   1569  CA  ASP A 200      -4.065   3.968  11.164  1.00 94.42           C  
+ATOM   1570  C   ASP A 200      -3.951   2.959  10.024  1.00 94.42           C  
+ATOM   1571  CB  ASP A 200      -5.286   4.865  10.953  1.00 94.42           C  
+ATOM   1572  O   ASP A 200      -3.797   3.342   8.862  1.00 94.42           O  
+ATOM   1573  CG  ASP A 200      -6.597   4.098  10.977  1.00 94.42           C  
+ATOM   1574  OD1 ASP A 200      -6.642   2.985  11.544  1.00 94.42           O  
+ATOM   1575  OD2 ASP A 200      -7.593   4.610  10.422  1.00 94.42           O  
+ATOM   1576  N   VAL A 201      -3.902   1.702  10.370  1.00 92.57           N  
+ATOM   1577  CA  VAL A 201      -3.757   0.661   9.358  1.00 92.57           C  
+ATOM   1578  C   VAL A 201      -5.069  -0.107   9.213  1.00 92.57           C  
+ATOM   1579  CB  VAL A 201      -2.606  -0.311   9.704  1.00 92.57           C  
+ATOM   1580  O   VAL A 201      -5.882  -0.139  10.140  1.00 92.57           O  
+ATOM   1581  CG1 VAL A 201      -1.261   0.412   9.671  1.00 92.57           C  
+ATOM   1582  CG2 VAL A 201      -2.840  -0.947  11.073  1.00 92.57           C  
+ATOM   1583  N   GLY A 202      -5.315  -0.621   7.968  1.00 90.57           N  
+ATOM   1584  CA  GLY A 202      -6.504  -1.430   7.750  1.00 90.57           C  
+ATOM   1585  C   GLY A 202      -6.506  -2.717   8.553  1.00 90.57           C  
+ATOM   1586  O   GLY A 202      -5.477  -3.388   8.663  1.00 90.57           O  
+ATOM   1587  N   GLY A 203      -7.613  -3.076   9.197  1.00 88.88           N  
+ATOM   1588  CA  GLY A 203      -7.730  -4.202  10.110  1.00 88.88           C  
+ATOM   1589  C   GLY A 203      -8.221  -5.469   9.436  1.00 88.88           C  
+ATOM   1590  O   GLY A 203      -8.184  -6.549  10.029  1.00 88.88           O  
+ATOM   1591  N   GLN A 204      -8.573  -5.350   8.093  1.00 88.09           N  
+ATOM   1592  CA  GLN A 204      -9.026  -6.550   7.398  1.00 88.09           C  
+ATOM   1593  C   GLN A 204      -7.856  -7.478   7.084  1.00 88.09           C  
+ATOM   1594  CB  GLN A 204      -9.762  -6.179   6.109  1.00 88.09           C  
+ATOM   1595  O   GLN A 204      -6.710  -7.033   6.995  1.00 88.09           O  
+ATOM   1596  CG  GLN A 204     -11.087  -5.466   6.341  1.00 88.09           C  
+ATOM   1597  CD  GLN A 204     -11.812  -5.140   5.049  1.00 88.09           C  
+ATOM   1598  NE2 GLN A 204     -12.787  -4.240   5.127  1.00 88.09           N  
+ATOM   1599  OE1 GLN A 204     -11.498  -5.691   3.990  1.00 88.09           O  
+ATOM   1600  N   ARG A 205      -8.080  -8.818   6.885  1.00 85.83           N  
+ATOM   1601  CA  ARG A 205      -7.018  -9.803   6.707  1.00 85.83           C  
+ATOM   1602  C   ARG A 205      -6.114  -9.428   5.537  1.00 85.83           C  
+ATOM   1603  CB  ARG A 205      -7.609 -11.198   6.487  1.00 85.83           C  
+ATOM   1604  O   ARG A 205      -4.891  -9.547   5.629  1.00 85.83           O  
+ATOM   1605  CG  ARG A 205      -8.069 -11.880   7.765  1.00 85.83           C  
+ATOM   1606  CD  ARG A 205      -8.435 -13.338   7.526  1.00 85.83           C  
+ATOM   1607  NE  ARG A 205      -8.874 -13.993   8.755  1.00 85.83           N  
+ATOM   1608  NH1 ARG A 205      -9.336 -16.023   7.754  1.00 85.83           N  
+ATOM   1609  NH2 ARG A 205      -9.667 -15.748  10.006  1.00 85.83           N  
+ATOM   1610  CZ  ARG A 205      -9.291 -15.253   8.836  1.00 85.83           C  
+ATOM   1611  N   SER A 206      -6.739  -8.917   4.481  1.00 82.32           N  
+ATOM   1612  CA  SER A 206      -5.988  -8.572   3.278  1.00 82.32           C  
+ATOM   1613  C   SER A 206      -5.053  -7.394   3.529  1.00 82.32           C  
+ATOM   1614  CB  SER A 206      -6.940  -8.242   2.128  1.00 82.32           C  
+ATOM   1615  O   SER A 206      -4.050  -7.231   2.831  1.00 82.32           O  
+ATOM   1616  OG  SER A 206      -7.797  -7.168   2.477  1.00 82.32           O  
+ATOM   1617  N   GLU A 207      -5.399  -6.640   4.565  1.00 86.76           N  
+ATOM   1618  CA  GLU A 207      -4.635  -5.423   4.825  1.00 86.76           C  
+ATOM   1619  C   GLU A 207      -3.532  -5.672   5.850  1.00 86.76           C  
+ATOM   1620  CB  GLU A 207      -5.559  -4.302   5.309  1.00 86.76           C  
+ATOM   1621  O   GLU A 207      -2.580  -4.895   5.946  1.00 86.76           O  
+ATOM   1622  CG  GLU A 207      -6.569  -3.845   4.267  1.00 86.76           C  
+ATOM   1623  CD  GLU A 207      -5.922  -3.273   3.015  1.00 86.76           C  
+ATOM   1624  OE1 GLU A 207      -6.210  -3.770   1.902  1.00 86.76           O  
+ATOM   1625  OE2 GLU A 207      -5.121  -2.321   3.148  1.00 86.76           O  
+ATOM   1626  N   ARG A 208      -3.561  -6.730   6.592  1.00 87.77           N  
+ATOM   1627  CA  ARG A 208      -2.671  -6.998   7.716  1.00 87.77           C  
+ATOM   1628  C   ARG A 208      -1.253  -7.284   7.236  1.00 87.77           C  
+ATOM   1629  CB  ARG A 208      -3.191  -8.174   8.545  1.00 87.77           C  
+ATOM   1630  O   ARG A 208      -0.292  -7.128   7.992  1.00 87.77           O  
+ATOM   1631  CG  ARG A 208      -4.490  -7.883   9.281  1.00 87.77           C  
+ATOM   1632  CD  ARG A 208      -4.928  -9.062  10.139  1.00 87.77           C  
+ATOM   1633  NE  ARG A 208      -6.358  -9.014  10.430  1.00 87.77           N  
+ATOM   1634  NH1 ARG A 208      -6.495 -11.204  11.152  1.00 87.77           N  
+ATOM   1635  NH2 ARG A 208      -8.366  -9.879  11.134  1.00 87.77           N  
+ATOM   1636  CZ  ARG A 208      -7.070 -10.032  10.905  1.00 87.77           C  
+ATOM   1637  N   LYS A 209      -1.105  -7.689   5.999  1.00 79.45           N  
+ATOM   1638  CA  LYS A 209       0.222  -7.958   5.452  1.00 79.45           C  
+ATOM   1639  C   LYS A 209       1.049  -6.678   5.364  1.00 79.45           C  
+ATOM   1640  CB  LYS A 209       0.113  -8.607   4.072  1.00 79.45           C  
+ATOM   1641  O   LYS A 209       2.280  -6.731   5.319  1.00 79.45           O  
+ATOM   1642  CG  LYS A 209      -0.558  -9.973   4.081  1.00 79.45           C  
+ATOM   1643  CD  LYS A 209      -0.650 -10.561   2.679  1.00 79.45           C  
+ATOM   1644  CE  LYS A 209      -1.387 -11.893   2.677  1.00 79.45           C  
+ATOM   1645  NZ  LYS A 209      -1.563 -12.427   1.294  1.00 79.45           N  
+ATOM   1646  N   LYS A 210       0.336  -5.595   5.467  1.00 81.27           N  
+ATOM   1647  CA  LYS A 210       0.993  -4.300   5.307  1.00 81.27           C  
+ATOM   1648  C   LYS A 210       1.397  -3.718   6.658  1.00 81.27           C  
+ATOM   1649  CB  LYS A 210       0.079  -3.322   4.567  1.00 81.27           C  
+ATOM   1650  O   LYS A 210       2.094  -2.703   6.720  1.00 81.27           O  
+ATOM   1651  CG  LYS A 210      -0.299  -3.770   3.163  1.00 81.27           C  
+ATOM   1652  CD  LYS A 210      -1.286  -2.807   2.516  1.00 81.27           C  
+ATOM   1653  CE  LYS A 210      -1.759  -3.316   1.161  1.00 81.27           C  
+ATOM   1654  NZ  LYS A 210      -2.793  -2.420   0.563  1.00 81.27           N  
+ATOM   1655  N   TRP A 211       1.025  -4.406   7.807  1.00 87.09           N  
+ATOM   1656  CA  TRP A 211       1.262  -3.905   9.157  1.00 87.09           C  
+ATOM   1657  C   TRP A 211       2.756  -3.769   9.433  1.00 87.09           C  
+ATOM   1658  CB  TRP A 211       0.622  -4.832  10.195  1.00 87.09           C  
+ATOM   1659  O   TRP A 211       3.190  -2.810  10.076  1.00 87.09           O  
+ATOM   1660  CG  TRP A 211      -0.874  -4.740  10.252  1.00 87.09           C  
+ATOM   1661  CD1 TRP A 211      -1.691  -4.055   9.397  1.00 87.09           C  
+ATOM   1662  CD2 TRP A 211      -1.730  -5.353  11.221  1.00 87.09           C  
+ATOM   1663  CE2 TRP A 211      -3.057  -4.996  10.891  1.00 87.09           C  
+ATOM   1664  CE3 TRP A 211      -1.505  -6.170  12.337  1.00 87.09           C  
+ATOM   1665  NE1 TRP A 211      -3.005  -4.205   9.776  1.00 87.09           N  
+ATOM   1666  CH2 TRP A 211      -3.906  -6.228  12.725  1.00 87.09           C  
+ATOM   1667  CZ2 TRP A 211      -4.154  -5.430  11.639  1.00 87.09           C  
+ATOM   1668  CZ3 TRP A 211      -2.598  -6.601  13.079  1.00 87.09           C  
+ATOM   1669  N   ILE A 212       3.475  -4.684   8.858  1.00 78.03           N  
+ATOM   1670  CA  ILE A 212       4.898  -4.791   9.163  1.00 78.03           C  
+ATOM   1671  C   ILE A 212       5.615  -3.513   8.732  1.00 78.03           C  
+ATOM   1672  CB  ILE A 212       5.533  -6.019   8.474  1.00 78.03           C  
+ATOM   1673  O   ILE A 212       6.672  -3.176   9.270  1.00 78.03           O  
+ATOM   1674  CG1 ILE A 212       5.262  -5.985   6.965  1.00 78.03           C  
+ATOM   1675  CG2 ILE A 212       5.009  -7.317   9.095  1.00 78.03           C  
+ATOM   1676  CD1 ILE A 212       6.094  -6.978   6.165  1.00 78.03           C  
+ATOM   1677  N   HIS A 213       4.955  -2.744   7.862  1.00 76.25           N  
+ATOM   1678  CA  HIS A 213       5.574  -1.547   7.304  1.00 76.25           C  
+ATOM   1679  C   HIS A 213       5.599  -0.414   8.324  1.00 76.25           C  
+ATOM   1680  CB  HIS A 213       4.836  -1.101   6.041  1.00 76.25           C  
+ATOM   1681  O   HIS A 213       6.373   0.536   8.183  1.00 76.25           O  
+ATOM   1682  CG  HIS A 213       4.928  -2.081   4.915  1.00 76.25           C  
+ATOM   1683  CD2 HIS A 213       3.974  -2.814   4.293  1.00 76.25           C  
+ATOM   1684  ND1 HIS A 213       6.121  -2.401   4.302  1.00 76.25           N  
+ATOM   1685  CE1 HIS A 213       5.894  -3.290   3.349  1.00 76.25           C  
+ATOM   1686  NE2 HIS A 213       4.600  -3.557   3.323  1.00 76.25           N  
+ATOM   1687  N   CYS A 214       4.781  -0.591   9.470  1.00 84.60           N  
+ATOM   1688  CA  CYS A 214       4.679   0.506  10.427  1.00 84.60           C  
+ATOM   1689  C   CYS A 214       5.259   0.106  11.778  1.00 84.60           C  
+ATOM   1690  CB  CYS A 214       3.222   0.937  10.594  1.00 84.60           C  
+ATOM   1691  O   CYS A 214       5.115   0.836  12.760  1.00 84.60           O  
+ATOM   1692  SG  CYS A 214       2.451   1.505   9.063  1.00 84.60           S  
+ATOM   1693  N   PHE A 215       5.945  -1.133  11.877  1.00 86.11           N  
+ATOM   1694  CA  PHE A 215       6.363  -1.686  13.159  1.00 86.11           C  
+ATOM   1695  C   PHE A 215       7.655  -1.034  13.636  1.00 86.11           C  
+ATOM   1696  CB  PHE A 215       6.547  -3.203  13.057  1.00 86.11           C  
+ATOM   1697  O   PHE A 215       7.964  -1.056  14.829  1.00 86.11           O  
+ATOM   1698  CG  PHE A 215       5.263  -3.980  13.164  1.00 86.11           C  
+ATOM   1699  CD1 PHE A 215       4.039  -3.323  13.204  1.00 86.11           C  
+ATOM   1700  CD2 PHE A 215       5.279  -5.367  13.225  1.00 86.11           C  
+ATOM   1701  CE1 PHE A 215       2.848  -4.039  13.303  1.00 86.11           C  
+ATOM   1702  CE2 PHE A 215       4.093  -6.090  13.324  1.00 86.11           C  
+ATOM   1703  CZ  PHE A 215       2.879  -5.424  13.364  1.00 86.11           C  
+ATOM   1704  N   GLU A 216       8.249  -0.221  12.772  1.00 78.59           N  
+ATOM   1705  CA  GLU A 216       9.533   0.328  13.197  1.00 78.59           C  
+ATOM   1706  C   GLU A 216       9.343   1.597  14.024  1.00 78.59           C  
+ATOM   1707  CB  GLU A 216      10.421   0.619  11.985  1.00 78.59           C  
+ATOM   1708  O   GLU A 216       8.616   2.506  13.619  1.00 78.59           O  
+ATOM   1709  CG  GLU A 216      11.853   0.986  12.346  1.00 78.59           C  
+ATOM   1710  CD  GLU A 216      12.751   1.165  11.132  1.00 78.59           C  
+ATOM   1711  OE1 GLU A 216      13.966   1.413  11.306  1.00 78.59           O  
+ATOM   1712  OE2 GLU A 216      12.235   1.057   9.997  1.00 78.59           O  
+ATOM   1713  N   GLY A 217      10.128   1.667  15.023  1.00 80.04           N  
+ATOM   1714  CA  GLY A 217      10.254   2.853  15.854  1.00 80.04           C  
+ATOM   1715  C   GLY A 217       8.951   3.257  16.519  1.00 80.04           C  
+ATOM   1716  O   GLY A 217       8.714   4.441  16.764  1.00 80.04           O  
+ATOM   1717  N   VAL A 218       8.076   2.225  16.697  1.00 89.12           N  
+ATOM   1718  CA  VAL A 218       6.790   2.508  17.326  1.00 89.12           C  
+ATOM   1719  C   VAL A 218       6.985   2.738  18.823  1.00 89.12           C  
+ATOM   1720  CB  VAL A 218       5.779   1.363  17.090  1.00 89.12           C  
+ATOM   1721  O   VAL A 218       7.612   1.925  19.505  1.00 89.12           O  
+ATOM   1722  CG1 VAL A 218       4.462   1.648  17.811  1.00 89.12           C  
+ATOM   1723  CG2 VAL A 218       5.541   1.161  15.595  1.00 89.12           C  
+ATOM   1724  N   THR A 219       6.466   3.938  19.293  1.00 88.55           N  
+ATOM   1725  CA  THR A 219       6.572   4.266  20.711  1.00 88.55           C  
+ATOM   1726  C   THR A 219       5.539   3.491  21.524  1.00 88.55           C  
+ATOM   1727  CB  THR A 219       6.388   5.777  20.949  1.00 88.55           C  
+ATOM   1728  O   THR A 219       5.862   2.930  22.574  1.00 88.55           O  
+ATOM   1729  CG2 THR A 219       6.662   6.141  22.405  1.00 88.55           C  
+ATOM   1730  OG1 THR A 219       7.294   6.501  20.108  1.00 88.55           O  
+ATOM   1731  N   ALA A 220       4.333   3.481  21.029  1.00 92.00           N  
+ATOM   1732  CA  ALA A 220       3.241   2.790  21.710  1.00 92.00           C  
+ATOM   1733  C   ALA A 220       2.232   2.238  20.708  1.00 92.00           C  
+ATOM   1734  CB  ALA A 220       2.550   3.730  22.694  1.00 92.00           C  
+ATOM   1735  O   ALA A 220       2.033   2.814  19.636  1.00 92.00           O  
+ATOM   1736  N   ILE A 221       1.676   1.069  21.100  1.00 94.78           N  
+ATOM   1737  CA  ILE A 221       0.635   0.447  20.290  1.00 94.78           C  
+ATOM   1738  C   ILE A 221      -0.715   0.582  20.992  1.00 94.78           C  
+ATOM   1739  CB  ILE A 221       0.948  -1.040  20.011  1.00 94.78           C  
+ATOM   1740  O   ILE A 221      -0.827   0.319  22.191  1.00 94.78           O  
+ATOM   1741  CG1 ILE A 221       2.222  -1.169  19.169  1.00 94.78           C  
+ATOM   1742  CG2 ILE A 221      -0.237  -1.721  19.321  1.00 94.78           C  
+ATOM   1743  CD1 ILE A 221       2.707  -2.601  18.995  1.00 94.78           C  
+ATOM   1744  N   ILE A 222      -1.684   1.094  20.221  1.00 95.93           N  
+ATOM   1745  CA  ILE A 222      -3.066   1.054  20.687  1.00 95.93           C  
+ATOM   1746  C   ILE A 222      -3.818  -0.069  19.976  1.00 95.93           C  
+ATOM   1747  CB  ILE A 222      -3.779   2.406  20.457  1.00 95.93           C  
+ATOM   1748  O   ILE A 222      -4.073   0.011  18.772  1.00 95.93           O  
+ATOM   1749  CG1 ILE A 222      -3.028   3.534  21.173  1.00 95.93           C  
+ATOM   1750  CG2 ILE A 222      -5.236   2.334  20.925  1.00 95.93           C  
+ATOM   1751  CD1 ILE A 222      -3.567   4.925  20.872  1.00 95.93           C  
+ATOM   1752  N   PHE A 223      -4.069  -1.079  20.707  1.00 97.62           N  
+ATOM   1753  CA  PHE A 223      -4.790  -2.205  20.126  1.00 97.62           C  
+ATOM   1754  C   PHE A 223      -6.278  -2.119  20.445  1.00 97.62           C  
+ATOM   1755  CB  PHE A 223      -4.219  -3.532  20.637  1.00 97.62           C  
+ATOM   1756  O   PHE A 223      -6.673  -2.195  21.610  1.00 97.62           O  
+ATOM   1757  CG  PHE A 223      -4.627  -4.725  19.815  1.00 97.62           C  
+ATOM   1758  CD1 PHE A 223      -5.801  -5.411  20.096  1.00 97.62           C  
+ATOM   1759  CD2 PHE A 223      -3.834  -5.159  18.760  1.00 97.62           C  
+ATOM   1760  CE1 PHE A 223      -6.181  -6.516  19.337  1.00 97.62           C  
+ATOM   1761  CE2 PHE A 223      -4.207  -6.262  17.997  1.00 97.62           C  
+ATOM   1762  CZ  PHE A 223      -5.380  -6.940  18.288  1.00 97.62           C  
+ATOM   1763  N   CYS A 224      -7.098  -2.011  19.393  1.00 97.72           N  
+ATOM   1764  CA  CYS A 224      -8.533  -1.807  19.558  1.00 97.72           C  
+ATOM   1765  C   CYS A 224      -9.289  -3.124  19.431  1.00 97.72           C  
+ATOM   1766  CB  CYS A 224      -9.054  -0.807  18.526  1.00 97.72           C  
+ATOM   1767  O   CYS A 224      -9.086  -3.872  18.472  1.00 97.72           O  
+ATOM   1768  SG  CYS A 224      -8.406   0.865  18.741  1.00 97.72           S  
+ATOM   1769  N   VAL A 225     -10.160  -3.320  20.381  1.00 98.09           N  
+ATOM   1770  CA  VAL A 225     -11.001  -4.513  20.396  1.00 98.09           C  
+ATOM   1771  C   VAL A 225     -12.470  -4.109  20.488  1.00 98.09           C  
+ATOM   1772  CB  VAL A 225     -10.632  -5.452  21.567  1.00 98.09           C  
+ATOM   1773  O   VAL A 225     -12.844  -3.290  21.331  1.00 98.09           O  
+ATOM   1774  CG1 VAL A 225     -11.559  -6.665  21.599  1.00 98.09           C  
+ATOM   1775  CG2 VAL A 225      -9.173  -5.892  21.457  1.00 98.09           C  
+ATOM   1776  N   ALA A 226     -13.243  -4.635  19.605  1.00 97.22           N  
+ATOM   1777  CA  ALA A 226     -14.680  -4.385  19.672  1.00 97.22           C  
+ATOM   1778  C   ALA A 226     -15.358  -5.341  20.651  1.00 97.22           C  
+ATOM   1779  CB  ALA A 226     -15.309  -4.513  18.287  1.00 97.22           C  
+ATOM   1780  O   ALA A 226     -15.515  -6.529  20.360  1.00 97.22           O  
+ATOM   1781  N   LEU A 227     -15.880  -4.800  21.757  1.00 97.22           N  
+ATOM   1782  CA  LEU A 227     -16.526  -5.605  22.788  1.00 97.22           C  
+ATOM   1783  C   LEU A 227     -17.820  -6.220  22.266  1.00 97.22           C  
+ATOM   1784  CB  LEU A 227     -16.815  -4.756  24.029  1.00 97.22           C  
+ATOM   1785  O   LEU A 227     -18.197  -7.322  22.672  1.00 97.22           O  
+ATOM   1786  CG  LEU A 227     -15.629  -4.487  24.957  1.00 97.22           C  
+ATOM   1787  CD1 LEU A 227     -16.021  -3.488  26.041  1.00 97.22           C  
+ATOM   1788  CD2 LEU A 227     -15.128  -5.787  25.576  1.00 97.22           C  
+ATOM   1789  N   SER A 228     -18.431  -5.540  21.393  1.00 95.23           N  
+ATOM   1790  CA  SER A 228     -19.746  -5.928  20.894  1.00 95.23           C  
+ATOM   1791  C   SER A 228     -19.642  -7.078  19.899  1.00 95.23           C  
+ATOM   1792  CB  SER A 228     -20.444  -4.736  20.238  1.00 95.23           C  
+ATOM   1793  O   SER A 228     -20.653  -7.682  19.533  1.00 95.23           O  
+ATOM   1794  OG  SER A 228     -19.672  -4.230  19.163  1.00 95.23           O  
+ATOM   1795  N   ASP A 229     -18.494  -7.581  19.525  1.00 95.46           N  
+ATOM   1796  CA  ASP A 229     -18.306  -8.546  18.446  1.00 95.46           C  
+ATOM   1797  C   ASP A 229     -18.295  -9.975  18.983  1.00 95.46           C  
+ATOM   1798  CB  ASP A 229     -17.008  -8.259  17.689  1.00 95.46           C  
+ATOM   1799  O   ASP A 229     -18.083 -10.926  18.228  1.00 95.46           O  
+ATOM   1800  CG  ASP A 229     -17.136  -7.106  16.709  1.00 95.46           C  
+ATOM   1801  OD1 ASP A 229     -18.231  -6.512  16.605  1.00 95.46           O  
+ATOM   1802  OD2 ASP A 229     -16.133  -6.791  16.032  1.00 95.46           O  
+ATOM   1803  N   TYR A 230     -18.546 -10.176  20.274  1.00 95.73           N  
+ATOM   1804  CA  TYR A 230     -18.384 -11.490  20.887  1.00 95.73           C  
+ATOM   1805  C   TYR A 230     -19.351 -12.499  20.279  1.00 95.73           C  
+ATOM   1806  CB  TYR A 230     -18.599 -11.408  22.401  1.00 95.73           C  
+ATOM   1807  O   TYR A 230     -19.120 -13.708  20.346  1.00 95.73           O  
+ATOM   1808  CG  TYR A 230     -20.026 -11.113  22.796  1.00 95.73           C  
+ATOM   1809  CD1 TYR A 230     -20.477  -9.801  22.927  1.00 95.73           C  
+ATOM   1810  CD2 TYR A 230     -20.926 -12.145  23.040  1.00 95.73           C  
+ATOM   1811  CE1 TYR A 230     -21.790  -9.525  23.292  1.00 95.73           C  
+ATOM   1812  CE2 TYR A 230     -22.242 -11.881  23.406  1.00 95.73           C  
+ATOM   1813  OH  TYR A 230     -23.965 -10.302  23.891  1.00 95.73           O  
+ATOM   1814  CZ  TYR A 230     -22.664 -10.570  23.529  1.00 95.73           C  
+ATOM   1815  N   ASP A 231     -20.417 -12.068  19.638  1.00 94.09           N  
+ATOM   1816  CA  ASP A 231     -21.405 -12.996  19.096  1.00 94.09           C  
+ATOM   1817  C   ASP A 231     -21.458 -12.912  17.572  1.00 94.09           C  
+ATOM   1818  CB  ASP A 231     -22.788 -12.713  19.687  1.00 94.09           C  
+ATOM   1819  O   ASP A 231     -22.471 -13.262  16.961  1.00 94.09           O  
+ATOM   1820  CG  ASP A 231     -23.298 -11.320  19.363  1.00 94.09           C  
+ATOM   1821  OD1 ASP A 231     -22.523 -10.494  18.834  1.00 94.09           O  
+ATOM   1822  OD2 ASP A 231     -24.485 -11.045  19.641  1.00 94.09           O  
+ATOM   1823  N   LEU A 232     -20.372 -12.396  16.927  1.00 93.84           N  
+ATOM   1824  CA  LEU A 232     -20.331 -12.255  15.476  1.00 93.84           C  
+ATOM   1825  C   LEU A 232     -19.251 -13.147  14.873  1.00 93.84           C  
+ATOM   1826  CB  LEU A 232     -20.081 -10.796  15.086  1.00 93.84           C  
+ATOM   1827  O   LEU A 232     -18.287 -13.508  15.553  1.00 93.84           O  
+ATOM   1828  CG  LEU A 232     -21.149  -9.788  15.512  1.00 93.84           C  
+ATOM   1829  CD1 LEU A 232     -20.703  -8.369  15.175  1.00 93.84           C  
+ATOM   1830  CD2 LEU A 232     -22.482 -10.107  14.844  1.00 93.84           C  
+ATOM   1831  N   VAL A 233     -19.498 -13.517  13.619  1.00 92.16           N  
+ATOM   1832  CA  VAL A 233     -18.475 -14.237  12.868  1.00 92.16           C  
+ATOM   1833  C   VAL A 233     -17.844 -13.308  11.833  1.00 92.16           C  
+ATOM   1834  CB  VAL A 233     -19.057 -15.490  12.174  1.00 92.16           C  
+ATOM   1835  O   VAL A 233     -18.431 -12.286  11.468  1.00 92.16           O  
+ATOM   1836  CG1 VAL A 233     -19.519 -16.514  13.209  1.00 92.16           C  
+ATOM   1837  CG2 VAL A 233     -20.209 -15.101  11.250  1.00 92.16           C  
+ATOM   1838  N   LEU A 234     -16.652 -13.623  11.277  1.00 85.73           N  
+ATOM   1839  CA  LEU A 234     -15.930 -12.806  10.308  1.00 85.73           C  
+ATOM   1840  C   LEU A 234     -16.631 -12.824   8.954  1.00 85.73           C  
+ATOM   1841  CB  LEU A 234     -14.489 -13.300  10.156  1.00 85.73           C  
+ATOM   1842  O   LEU A 234     -17.168 -13.854   8.541  1.00 85.73           O  
+ATOM   1843  CG  LEU A 234     -13.574 -13.102  11.365  1.00 85.73           C  
+ATOM   1844  CD1 LEU A 234     -12.226 -13.774  11.125  1.00 85.73           C  
+ATOM   1845  CD2 LEU A 234     -13.392 -11.617  11.661  1.00 85.73           C  
+ATOM   1846  N   ALA A 235     -16.579 -11.668   8.292  1.00 82.24           N  
+ATOM   1847  CA  ALA A 235     -17.109 -11.601   6.932  1.00 82.24           C  
+ATOM   1848  C   ALA A 235     -16.287 -12.466   5.980  1.00 82.24           C  
+ATOM   1849  CB  ALA A 235     -17.137 -10.155   6.443  1.00 82.24           C  
+ATOM   1850  O   ALA A 235     -16.841 -13.132   5.102  1.00 82.24           O  
+ATOM   1851  N   GLU A 236     -14.993 -12.590   6.230  1.00 79.99           N  
+ATOM   1852  CA  GLU A 236     -14.022 -13.271   5.379  1.00 79.99           C  
+ATOM   1853  C   GLU A 236     -13.998 -14.771   5.662  1.00 79.99           C  
+ATOM   1854  CB  GLU A 236     -12.625 -12.677   5.573  1.00 79.99           C  
+ATOM   1855  O   GLU A 236     -13.549 -15.558   4.826  1.00 79.99           O  
+ATOM   1856  CG  GLU A 236     -12.529 -11.201   5.213  1.00 79.99           C  
+ATOM   1857  CD  GLU A 236     -12.778 -10.278   6.395  1.00 79.99           C  
+ATOM   1858  OE1 GLU A 236     -12.392  -9.088   6.327  1.00 79.99           O  
+ATOM   1859  OE2 GLU A 236     -13.363 -10.747   7.396  1.00 79.99           O  
+ATOM   1860  N   ASP A 237     -14.437 -15.156   6.945  1.00 83.40           N  
+ATOM   1861  CA  ASP A 237     -14.466 -16.538   7.413  1.00 83.40           C  
+ATOM   1862  C   ASP A 237     -15.625 -16.766   8.380  1.00 83.40           C  
+ATOM   1863  CB  ASP A 237     -13.141 -16.906   8.084  1.00 83.40           C  
+ATOM   1864  O   ASP A 237     -15.528 -16.433   9.563  1.00 83.40           O  
+ATOM   1865  CG  ASP A 237     -13.052 -18.376   8.454  1.00 83.40           C  
+ATOM   1866  OD1 ASP A 237     -14.031 -19.121   8.234  1.00 83.40           O  
+ATOM   1867  OD2 ASP A 237     -11.994 -18.792   8.975  1.00 83.40           O  
+ATOM   1868  N   GLU A 238     -16.692 -17.395   7.895  1.00 84.47           N  
+ATOM   1869  CA  GLU A 238     -17.929 -17.533   8.658  1.00 84.47           C  
+ATOM   1870  C   GLU A 238     -17.793 -18.601   9.740  1.00 84.47           C  
+ATOM   1871  CB  GLU A 238     -19.098 -17.871   7.730  1.00 84.47           C  
+ATOM   1872  O   GLU A 238     -18.721 -18.821  10.521  1.00 84.47           O  
+ATOM   1873  CG  GLU A 238     -19.494 -16.733   6.800  1.00 84.47           C  
+ATOM   1874  CD  GLU A 238     -20.730 -17.039   5.969  1.00 84.47           C  
+ATOM   1875  OE1 GLU A 238     -21.217 -16.137   5.251  1.00 84.47           O  
+ATOM   1876  OE2 GLU A 238     -21.216 -18.190   6.038  1.00 84.47           O  
+ATOM   1877  N   GLU A 239     -16.641 -19.190   9.913  1.00 88.03           N  
+ATOM   1878  CA  GLU A 239     -16.427 -20.225  10.921  1.00 88.03           C  
+ATOM   1879  C   GLU A 239     -15.663 -19.676  12.122  1.00 88.03           C  
+ATOM   1880  CB  GLU A 239     -15.676 -21.415  10.318  1.00 88.03           C  
+ATOM   1881  O   GLU A 239     -15.572 -20.334  13.160  1.00 88.03           O  
+ATOM   1882  CG  GLU A 239     -16.463 -22.163   9.252  1.00 88.03           C  
+ATOM   1883  CD  GLU A 239     -15.790 -23.450   8.802  1.00 88.03           C  
+ATOM   1884  OE1 GLU A 239     -16.453 -24.283   8.143  1.00 88.03           O  
+ATOM   1885  OE2 GLU A 239     -14.591 -23.628   9.113  1.00 88.03           O  
+ATOM   1886  N   MET A 240     -15.177 -18.450  11.946  1.00 90.80           N  
+ATOM   1887  CA  MET A 240     -14.330 -17.871  12.985  1.00 90.80           C  
+ATOM   1888  C   MET A 240     -15.061 -16.754  13.723  1.00 90.80           C  
+ATOM   1889  CB  MET A 240     -13.030 -17.336  12.383  1.00 90.80           C  
+ATOM   1890  O   MET A 240     -15.566 -15.819  13.100  1.00 90.80           O  
+ATOM   1891  CG  MET A 240     -12.057 -16.787  13.415  1.00 90.80           C  
+ATOM   1892  SD  MET A 240     -11.217 -18.113  14.365  1.00 90.80           S  
+ATOM   1893  CE  MET A 240     -10.114 -17.114  15.402  1.00 90.80           C  
+ATOM   1894  N   ASN A 241     -15.139 -16.830  15.054  1.00 94.11           N  
+ATOM   1895  CA  ASN A 241     -15.693 -15.775  15.895  1.00 94.11           C  
+ATOM   1896  C   ASN A 241     -14.793 -14.543  15.914  1.00 94.11           C  
+ATOM   1897  CB  ASN A 241     -15.921 -16.288  17.319  1.00 94.11           C  
+ATOM   1898  O   ASN A 241     -13.572 -14.662  16.031  1.00 94.11           O  
+ATOM   1899  CG  ASN A 241     -16.502 -15.229  18.235  1.00 94.11           C  
+ATOM   1900  ND2 ASN A 241     -17.827 -15.162  18.297  1.00 94.11           N  
+ATOM   1901  OD1 ASN A 241     -15.767 -14.477  18.880  1.00 94.11           O  
+ATOM   1902  N   ARG A 242     -15.370 -13.380  15.754  1.00 94.78           N  
+ATOM   1903  CA  ARG A 242     -14.625 -12.132  15.622  1.00 94.78           C  
+ATOM   1904  C   ARG A 242     -13.808 -11.847  16.877  1.00 94.78           C  
+ATOM   1905  CB  ARG A 242     -15.575 -10.966  15.338  1.00 94.78           C  
+ATOM   1906  O   ARG A 242     -12.675 -11.368  16.791  1.00 94.78           O  
+ATOM   1907  CG  ARG A 242     -16.079 -10.917  13.905  1.00 94.78           C  
+ATOM   1908  CD  ARG A 242     -16.811  -9.615  13.609  1.00 94.78           C  
+ATOM   1909  NE  ARG A 242     -17.396  -9.618  12.271  1.00 94.78           N  
+ATOM   1910  NH1 ARG A 242     -17.865  -7.356  12.247  1.00 94.78           N  
+ATOM   1911  NH2 ARG A 242     -18.392  -8.660  10.437  1.00 94.78           N  
+ATOM   1912  CZ  ARG A 242     -17.883  -8.544  11.655  1.00 94.78           C  
+ATOM   1913  N   MET A 243     -14.416 -12.120  18.148  1.00 96.36           N  
+ATOM   1914  CA  MET A 243     -13.700 -11.898  19.402  1.00 96.36           C  
+ATOM   1915  C   MET A 243     -12.495 -12.826  19.512  1.00 96.36           C  
+ATOM   1916  CB  MET A 243     -14.632 -12.107  20.597  1.00 96.36           C  
+ATOM   1917  O   MET A 243     -11.412 -12.398  19.915  1.00 96.36           O  
+ATOM   1918  CG  MET A 243     -13.959 -11.894  21.943  1.00 96.36           C  
+ATOM   1919  SD  MET A 243     -13.426 -10.156  22.196  1.00 96.36           S  
+ATOM   1920  CE  MET A 243     -15.025  -9.383  22.570  1.00 96.36           C  
+ATOM   1921  N   HIS A 244     -12.578 -14.050  19.115  1.00 95.32           N  
+ATOM   1922  CA  HIS A 244     -11.470 -14.999  19.145  1.00 95.32           C  
+ATOM   1923  C   HIS A 244     -10.389 -14.616  18.139  1.00 95.32           C  
+ATOM   1924  CB  HIS A 244     -11.972 -16.416  18.862  1.00 95.32           C  
+ATOM   1925  O   HIS A 244      -9.196 -14.733  18.429  1.00 95.32           O  
+ATOM   1926  CG  HIS A 244     -12.685 -17.042  20.018  1.00 95.32           C  
+ATOM   1927  CD2 HIS A 244     -12.388 -17.064  21.339  1.00 95.32           C  
+ATOM   1928  ND1 HIS A 244     -13.856 -17.753  19.874  1.00 95.32           N  
+ATOM   1929  CE1 HIS A 244     -14.250 -18.187  21.059  1.00 95.32           C  
+ATOM   1930  NE2 HIS A 244     -13.377 -17.782  21.966  1.00 95.32           N  
+ATOM   1931  N   GLU A 245     -10.847 -14.224  16.991  1.00 94.50           N  
+ATOM   1932  CA  GLU A 245      -9.879 -13.732  16.015  1.00 94.50           C  
+ATOM   1933  C   GLU A 245      -9.086 -12.552  16.570  1.00 94.50           C  
+ATOM   1934  CB  GLU A 245     -10.583 -13.329  14.716  1.00 94.50           C  
+ATOM   1935  O   GLU A 245      -7.865 -12.489  16.412  1.00 94.50           O  
+ATOM   1936  CG  GLU A 245      -9.667 -12.657  13.704  1.00 94.50           C  
+ATOM   1937  CD  GLU A 245      -8.607 -13.591  13.141  1.00 94.50           C  
+ATOM   1938  OE1 GLU A 245      -7.763 -13.136  12.336  1.00 94.50           O  
+ATOM   1939  OE2 GLU A 245      -8.622 -14.788  13.506  1.00 94.50           O  
+ATOM   1940  N   SER A 246      -9.801 -11.632  17.155  1.00 96.67           N  
+ATOM   1941  CA  SER A 246      -9.158 -10.466  17.753  1.00 96.67           C  
+ATOM   1942  C   SER A 246      -8.155 -10.877  18.825  1.00 96.67           C  
+ATOM   1943  CB  SER A 246     -10.204  -9.527  18.354  1.00 96.67           C  
+ATOM   1944  O   SER A 246      -7.071 -10.298  18.923  1.00 96.67           O  
+ATOM   1945  OG  SER A 246      -9.606  -8.315  18.780  1.00 96.67           O  
+ATOM   1946  N   MET A 247      -8.446 -11.870  19.563  1.00 96.94           N  
+ATOM   1947  CA  MET A 247      -7.550 -12.383  20.595  1.00 96.94           C  
+ATOM   1948  C   MET A 247      -6.290 -12.978  19.974  1.00 96.94           C  
+ATOM   1949  CB  MET A 247      -8.259 -13.435  21.449  1.00 96.94           C  
+ATOM   1950  O   MET A 247      -5.184 -12.753  20.469  1.00 96.94           O  
+ATOM   1951  CG  MET A 247      -9.313 -12.859  22.381  1.00 96.94           C  
+ATOM   1952  SD  MET A 247     -10.168 -14.154  23.361  1.00 96.94           S  
+ATOM   1953  CE  MET A 247      -8.804 -14.704  24.424  1.00 96.94           C  
+ATOM   1954  N   LYS A 248      -6.502 -13.777  18.919  1.00 94.62           N  
+ATOM   1955  CA  LYS A 248      -5.361 -14.356  18.216  1.00 94.62           C  
+ATOM   1956  C   LYS A 248      -4.437 -13.268  17.678  1.00 94.62           C  
+ATOM   1957  CB  LYS A 248      -5.835 -15.254  17.072  1.00 94.62           C  
+ATOM   1958  O   LYS A 248      -3.214 -13.375  17.787  1.00 94.62           O  
+ATOM   1959  CG  LYS A 248      -6.409 -16.587  17.528  1.00 94.62           C  
+ATOM   1960  CD  LYS A 248      -6.804 -17.460  16.344  1.00 94.62           C  
+ATOM   1961  CE  LYS A 248      -7.467 -18.753  16.799  1.00 94.62           C  
+ATOM   1962  NZ  LYS A 248      -7.948 -19.566  15.641  1.00 94.62           N  
+ATOM   1963  N   LEU A 249      -5.113 -12.245  17.211  1.00 94.70           N  
+ATOM   1964  CA  LEU A 249      -4.349 -11.125  16.673  1.00 94.70           C  
+ATOM   1965  C   LEU A 249      -3.578 -10.411  17.778  1.00 94.70           C  
+ATOM   1966  CB  LEU A 249      -5.276 -10.136  15.961  1.00 94.70           C  
+ATOM   1967  O   LEU A 249      -2.395 -10.102  17.616  1.00 94.70           O  
+ATOM   1968  CG  LEU A 249      -4.598  -8.979  15.226  1.00 94.70           C  
+ATOM   1969  CD1 LEU A 249      -3.694  -9.511  14.120  1.00 94.70           C  
+ATOM   1970  CD2 LEU A 249      -5.640  -8.021  14.658  1.00 94.70           C  
+ATOM   1971  N   PHE A 250      -4.217 -10.177  18.843  1.00 96.56           N  
+ATOM   1972  CA  PHE A 250      -3.586  -9.514  19.978  1.00 96.56           C  
+ATOM   1973  C   PHE A 250      -2.409 -10.331  20.496  1.00 96.56           C  
+ATOM   1974  CB  PHE A 250      -4.602  -9.287  21.102  1.00 96.56           C  
+ATOM   1975  O   PHE A 250      -1.349  -9.779  20.799  1.00 96.56           O  
+ATOM   1976  CG  PHE A 250      -4.039  -8.557  22.291  1.00 96.56           C  
+ATOM   1977  CD1 PHE A 250      -3.820  -9.221  23.492  1.00 96.56           C  
+ATOM   1978  CD2 PHE A 250      -3.728  -7.206  22.207  1.00 96.56           C  
+ATOM   1979  CE1 PHE A 250      -3.299  -8.547  24.594  1.00 96.56           C  
+ATOM   1980  CE2 PHE A 250      -3.206  -6.527  23.305  1.00 96.56           C  
+ATOM   1981  CZ  PHE A 250      -2.993  -7.199  24.497  1.00 96.56           C  
+ATOM   1982  N   ASP A 251      -2.554 -11.605  20.592  1.00 94.74           N  
+ATOM   1983  CA  ASP A 251      -1.488 -12.495  21.043  1.00 94.74           C  
+ATOM   1984  C   ASP A 251      -0.252 -12.365  20.156  1.00 94.74           C  
+ATOM   1985  CB  ASP A 251      -1.973 -13.946  21.060  1.00 94.74           C  
+ATOM   1986  O   ASP A 251       0.872 -12.284  20.657  1.00 94.74           O  
+ATOM   1987  CG  ASP A 251      -0.957 -14.903  21.660  1.00 94.74           C  
+ATOM   1988  OD1 ASP A 251      -0.355 -14.577  22.706  1.00 94.74           O  
+ATOM   1989  OD2 ASP A 251      -0.754 -15.992  21.079  1.00 94.74           O  
+ATOM   1990  N   SER A 252      -0.471 -12.317  18.860  1.00 92.80           N  
+ATOM   1991  CA  SER A 252       0.626 -12.220  17.903  1.00 92.80           C  
+ATOM   1992  C   SER A 252       1.327 -10.869  18.000  1.00 92.80           C  
+ATOM   1993  CB  SER A 252       0.116 -12.437  16.477  1.00 92.80           C  
+ATOM   1994  O   SER A 252       2.542 -10.779  17.813  1.00 92.80           O  
+ATOM   1995  OG  SER A 252      -0.618 -11.310  16.029  1.00 92.80           O  
+ATOM   1996  N   ILE A 253       0.608  -9.875  18.383  1.00 93.18           N  
+ATOM   1997  CA  ILE A 253       1.150  -8.521  18.404  1.00 93.18           C  
+ATOM   1998  C   ILE A 253       1.848  -8.266  19.738  1.00 93.18           C  
+ATOM   1999  CB  ILE A 253       0.045  -7.466  18.168  1.00 93.18           C  
+ATOM   2000  O   ILE A 253       2.989  -7.798  19.769  1.00 93.18           O  
+ATOM   2001  CG1 ILE A 253      -0.523  -7.597  16.750  1.00 93.18           C  
+ATOM   2002  CG2 ILE A 253       0.586  -6.054  18.413  1.00 93.18           C  
+ATOM   2003  CD1 ILE A 253       0.498  -7.346  15.649  1.00 93.18           C  
+ATOM   2004  N   CYS A 254       1.160  -8.589  20.774  1.00 92.09           N  
+ATOM   2005  CA  CYS A 254       1.655  -8.302  22.115  1.00 92.09           C  
+ATOM   2006  C   CYS A 254       2.951  -9.055  22.391  1.00 92.09           C  
+ATOM   2007  CB  CYS A 254       0.607  -8.671  23.164  1.00 92.09           C  
+ATOM   2008  O   CYS A 254       3.799  -8.583  23.150  1.00 92.09           O  
+ATOM   2009  SG  CYS A 254       1.140  -8.372  24.864  1.00 92.09           S  
+ATOM   2010  N   ASN A 255       3.124 -10.172  21.697  1.00 91.63           N  
+ATOM   2011  CA  ASN A 255       4.275 -11.025  21.974  1.00 91.63           C  
+ATOM   2012  C   ASN A 255       5.273 -11.013  20.819  1.00 91.63           C  
+ATOM   2013  CB  ASN A 255       3.823 -12.456  22.270  1.00 91.63           C  
+ATOM   2014  O   ASN A 255       6.214 -11.808  20.799  1.00 91.63           O  
+ATOM   2015  CG  ASN A 255       2.987 -12.555  23.531  1.00 91.63           C  
+ATOM   2016  ND2 ASN A 255       1.799 -13.135  23.410  1.00 91.63           N  
+ATOM   2017  OD1 ASN A 255       3.405 -12.114  24.604  1.00 91.63           O  
+ATOM   2018  N   ASN A 256       5.094 -10.134  19.889  1.00 87.98           N  
+ATOM   2019  CA  ASN A 256       5.968  -9.977  18.732  1.00 87.98           C  
+ATOM   2020  C   ASN A 256       7.299  -9.336  19.117  1.00 87.98           C  
+ATOM   2021  CB  ASN A 256       5.277  -9.152  17.645  1.00 87.98           C  
+ATOM   2022  O   ASN A 256       7.333  -8.404  19.923  1.00 87.98           O  
+ATOM   2023  CG  ASN A 256       6.001  -9.215  16.314  1.00 87.98           C  
+ATOM   2024  ND2 ASN A 256       5.255  -9.464  15.244  1.00 87.98           N  
+ATOM   2025  OD1 ASN A 256       7.221  -9.042  16.249  1.00 87.98           O  
+ATOM   2026  N   LYS A 257       8.439  -9.796  18.488  1.00 85.89           N  
+ATOM   2027  CA  LYS A 257       9.796  -9.362  18.807  1.00 85.89           C  
+ATOM   2028  C   LYS A 257       9.991  -7.884  18.480  1.00 85.89           C  
+ATOM   2029  CB  LYS A 257      10.822 -10.206  18.050  1.00 85.89           C  
+ATOM   2030  O   LYS A 257      10.838  -7.217  19.079  1.00 85.89           O  
+ATOM   2031  CG  LYS A 257      10.916 -11.646  18.533  1.00 85.89           C  
+ATOM   2032  CD  LYS A 257      12.034 -12.401  17.827  1.00 85.89           C  
+ATOM   2033  CE  LYS A 257      12.125 -13.844  18.304  1.00 85.89           C  
+ATOM   2034  NZ  LYS A 257      13.158 -14.614  17.549  1.00 85.89           N  
+ATOM   2035  N   TRP A 258       9.128  -7.423  17.506  1.00 84.07           N  
+ATOM   2036  CA  TRP A 258       9.266  -6.030  17.094  1.00 84.07           C  
+ATOM   2037  C   TRP A 258       8.852  -5.086  18.219  1.00 84.07           C  
+ATOM   2038  CB  TRP A 258       8.426  -5.753  15.844  1.00 84.07           C  
+ATOM   2039  O   TRP A 258       9.282  -3.931  18.258  1.00 84.07           O  
+ATOM   2040  CG  TRP A 258       9.061  -6.220  14.568  1.00 84.07           C  
+ATOM   2041  CD1 TRP A 258      10.152  -5.680  13.945  1.00 84.07           C  
+ATOM   2042  CD2 TRP A 258       8.639  -7.321  13.758  1.00 84.07           C  
+ATOM   2043  CE2 TRP A 258       9.522  -7.392  12.657  1.00 84.07           C  
+ATOM   2044  CE3 TRP A 258       7.600  -8.256  13.855  1.00 84.07           C  
+ATOM   2045  NE1 TRP A 258      10.434  -6.381  12.795  1.00 84.07           N  
+ATOM   2046  CH2 TRP A 258       8.371  -9.265  11.780  1.00 84.07           C  
+ATOM   2047  CZ2 TRP A 258       9.396  -8.362  11.660  1.00 84.07           C  
+ATOM   2048  CZ3 TRP A 258       7.477  -9.221  12.862  1.00 84.07           C  
+ATOM   2049  N   PHE A 259       8.031  -5.616  19.248  1.00 89.30           N  
+ATOM   2050  CA  PHE A 259       7.390  -4.726  20.209  1.00 89.30           C  
+ATOM   2051  C   PHE A 259       7.856  -5.035  21.627  1.00 89.30           C  
+ATOM   2052  CB  PHE A 259       5.866  -4.844  20.120  1.00 89.30           C  
+ATOM   2053  O   PHE A 259       7.109  -4.839  22.588  1.00 89.30           O  
+ATOM   2054  CG  PHE A 259       5.314  -4.558  18.750  1.00 89.30           C  
+ATOM   2055  CD1 PHE A 259       5.635  -3.379  18.088  1.00 89.30           C  
+ATOM   2056  CD2 PHE A 259       4.473  -5.468  18.123  1.00 89.30           C  
+ATOM   2057  CE1 PHE A 259       5.126  -3.112  16.819  1.00 89.30           C  
+ATOM   2058  CE2 PHE A 259       3.960  -5.208  16.856  1.00 89.30           C  
+ATOM   2059  CZ  PHE A 259       4.287  -4.029  16.206  1.00 89.30           C  
+ATOM   2060  N   THR A 260       9.108  -5.509  21.675  1.00 84.85           N  
+ATOM   2061  CA  THR A 260       9.655  -5.906  22.967  1.00 84.85           C  
+ATOM   2062  C   THR A 260       9.755  -4.706  23.904  1.00 84.85           C  
+ATOM   2063  CB  THR A 260      11.043  -6.555  22.811  1.00 84.85           C  
+ATOM   2064  O   THR A 260       9.409  -4.802  25.084  1.00 84.85           O  
+ATOM   2065  CG2 THR A 260      11.563  -7.071  24.149  1.00 84.85           C  
+ATOM   2066  OG1 THR A 260      10.951  -7.651  21.892  1.00 84.85           O  
+ATOM   2067  N   ASP A 261      10.109  -3.580  23.390  1.00 83.11           N  
+ATOM   2068  CA  ASP A 261      10.311  -2.389  24.211  1.00 83.11           C  
+ATOM   2069  C   ASP A 261       9.207  -1.362  23.970  1.00 83.11           C  
+ATOM   2070  CB  ASP A 261      11.680  -1.767  23.926  1.00 83.11           C  
+ATOM   2071  O   ASP A 261       9.339  -0.199  24.356  1.00 83.11           O  
+ATOM   2072  CG  ASP A 261      12.835  -2.672  24.315  1.00 83.11           C  
+ATOM   2073  OD1 ASP A 261      12.759  -3.341  25.368  1.00 83.11           O  
+ATOM   2074  OD2 ASP A 261      13.833  -2.715  23.563  1.00 83.11           O  
+ATOM   2075  N   THR A 262       8.099  -1.871  23.334  1.00 89.14           N  
+ATOM   2076  CA  THR A 262       7.006  -0.970  22.985  1.00 89.14           C  
+ATOM   2077  C   THR A 262       5.880  -1.062  24.010  1.00 89.14           C  
+ATOM   2078  CB  THR A 262       6.453  -1.281  21.582  1.00 89.14           C  
+ATOM   2079  O   THR A 262       5.532  -2.156  24.460  1.00 89.14           O  
+ATOM   2080  CG2 THR A 262       5.388  -0.268  21.174  1.00 89.14           C  
+ATOM   2081  OG1 THR A 262       7.525  -1.239  20.631  1.00 89.14           O  
+ATOM   2082  N   SER A 263       5.309   0.122  24.458  1.00 89.73           N  
+ATOM   2083  CA  SER A 263       4.155   0.136  25.351  1.00 89.73           C  
+ATOM   2084  C   SER A 263       2.885  -0.286  24.619  1.00 89.73           C  
+ATOM   2085  CB  SER A 263       3.964   1.526  25.959  1.00 89.73           C  
+ATOM   2086  O   SER A 263       2.644   0.139  23.488  1.00 89.73           O  
+ATOM   2087  OG  SER A 263       5.094   1.896  26.731  1.00 89.73           O  
+ATOM   2088  N   ILE A 264       2.113  -1.144  25.290  1.00 93.14           N  
+ATOM   2089  CA  ILE A 264       0.899  -1.646  24.656  1.00 93.14           C  
+ATOM   2090  C   ILE A 264      -0.325  -1.170  25.436  1.00 93.14           C  
+ATOM   2091  CB  ILE A 264       0.907  -3.188  24.561  1.00 93.14           C  
+ATOM   2092  O   ILE A 264      -0.428  -1.400  26.643  1.00 93.14           O  
+ATOM   2093  CG1 ILE A 264       2.079  -3.664  23.696  1.00 93.14           C  
+ATOM   2094  CG2 ILE A 264      -0.426  -3.702  24.008  1.00 93.14           C  
+ATOM   2095  CD1 ILE A 264       2.153  -5.176  23.530  1.00 93.14           C  
+ATOM   2096  N   ILE A 265      -1.206  -0.488  24.727  1.00 95.19           N  
+ATOM   2097  CA  ILE A 265      -2.470  -0.009  25.276  1.00 95.19           C  
+ATOM   2098  C   ILE A 265      -3.630  -0.779  24.649  1.00 95.19           C  
+ATOM   2099  CB  ILE A 265      -2.648   1.509  25.044  1.00 95.19           C  
+ATOM   2100  O   ILE A 265      -3.747  -0.849  23.424  1.00 95.19           O  
+ATOM   2101  CG1 ILE A 265      -1.462   2.281  25.635  1.00 95.19           C  
+ATOM   2102  CG2 ILE A 265      -3.971   1.995  25.643  1.00 95.19           C  
+ATOM   2103  CD1 ILE A 265      -1.226   3.640  24.990  1.00 95.19           C  
+ATOM   2104  N   LEU A 266      -4.440  -1.333  25.489  1.00 96.82           N  
+ATOM   2105  CA  LEU A 266      -5.572  -2.123  25.017  1.00 96.82           C  
+ATOM   2106  C   LEU A 266      -6.878  -1.351  25.173  1.00 96.82           C  
+ATOM   2107  CB  LEU A 266      -5.654  -3.449  25.778  1.00 96.82           C  
+ATOM   2108  O   LEU A 266      -7.274  -1.014  26.291  1.00 96.82           O  
+ATOM   2109  CG  LEU A 266      -6.832  -4.360  25.428  1.00 96.82           C  
+ATOM   2110  CD1 LEU A 266      -6.750  -4.795  23.969  1.00 96.82           C  
+ATOM   2111  CD2 LEU A 266      -6.864  -5.572  26.353  1.00 96.82           C  
+ATOM   2112  N   PHE A 267      -7.499  -1.032  23.998  1.00 97.95           N  
+ATOM   2113  CA  PHE A 267      -8.811  -0.396  23.991  1.00 97.95           C  
+ATOM   2114  C   PHE A 267      -9.914  -1.434  23.817  1.00 97.95           C  
+ATOM   2115  CB  PHE A 267      -8.896   0.652  22.877  1.00 97.95           C  
+ATOM   2116  O   PHE A 267     -10.007  -2.080  22.772  1.00 97.95           O  
+ATOM   2117  CG  PHE A 267      -8.226   1.955  23.217  1.00 97.95           C  
+ATOM   2118  CD1 PHE A 267      -7.492   2.090  24.390  1.00 97.95           C  
+ATOM   2119  CD2 PHE A 267      -8.330   3.047  22.365  1.00 97.95           C  
+ATOM   2120  CE1 PHE A 267      -6.871   3.296  24.708  1.00 97.95           C  
+ATOM   2121  CE2 PHE A 267      -7.712   4.255  22.676  1.00 97.95           C  
+ATOM   2122  CZ  PHE A 267      -6.984   4.377  23.848  1.00 97.95           C  
+ATOM   2123  N   LEU A 268     -10.641  -1.642  24.839  1.00 97.89           N  
+ATOM   2124  CA  LEU A 268     -11.871  -2.416  24.713  1.00 97.89           C  
+ATOM   2125  C   LEU A 268     -13.050  -1.512  24.369  1.00 97.89           C  
+ATOM   2126  CB  LEU A 268     -12.160  -3.179  26.009  1.00 97.89           C  
+ATOM   2127  O   LEU A 268     -13.680  -0.940  25.261  1.00 97.89           O  
+ATOM   2128  CG  LEU A 268     -11.084  -4.164  26.470  1.00 97.89           C  
+ATOM   2129  CD1 LEU A 268     -11.442  -4.737  27.837  1.00 97.89           C  
+ATOM   2130  CD2 LEU A 268     -10.906  -5.279  25.446  1.00 97.89           C  
+ATOM   2131  N   ASN A 269     -13.274  -1.432  22.990  1.00 97.70           N  
+ATOM   2132  CA  ASN A 269     -14.109  -0.382  22.418  1.00 97.70           C  
+ATOM   2133  C   ASN A 269     -15.553  -0.845  22.245  1.00 97.70           C  
+ATOM   2134  CB  ASN A 269     -13.538   0.089  21.079  1.00 97.70           C  
+ATOM   2135  O   ASN A 269     -15.870  -2.009  22.496  1.00 97.70           O  
+ATOM   2136  CG  ASN A 269     -14.118   1.417  20.631  1.00 97.70           C  
+ATOM   2137  ND2 ASN A 269     -14.260   1.591  19.323  1.00 97.70           N  
+ATOM   2138  OD1 ASN A 269     -14.433   2.280  21.455  1.00 97.70           O  
+ATOM   2139  N   LYS A 270     -16.442   0.105  22.028  1.00 96.25           N  
+ATOM   2140  CA  LYS A 270     -17.870  -0.074  21.783  1.00 96.25           C  
+ATOM   2141  C   LYS A 270     -18.580  -0.595  23.029  1.00 96.25           C  
+ATOM   2142  CB  LYS A 270     -18.098  -1.030  20.612  1.00 96.25           C  
+ATOM   2143  O   LYS A 270     -19.397  -1.515  22.946  1.00 96.25           O  
+ATOM   2144  CG  LYS A 270     -17.477  -0.564  19.303  1.00 96.25           C  
+ATOM   2145  CD  LYS A 270     -17.865  -1.475  18.145  1.00 96.25           C  
+ATOM   2146  CE  LYS A 270     -17.116  -1.110  16.870  1.00 96.25           C  
+ATOM   2147  NZ  LYS A 270     -17.521  -1.976  15.723  1.00 96.25           N  
+ATOM   2148  N   LYS A 271     -18.203  -0.047  24.112  1.00 96.06           N  
+ATOM   2149  CA  LYS A 271     -18.771  -0.490  25.382  1.00 96.06           C  
+ATOM   2150  C   LYS A 271     -20.259  -0.163  25.462  1.00 96.06           C  
+ATOM   2151  CB  LYS A 271     -18.029   0.154  26.555  1.00 96.06           C  
+ATOM   2152  O   LYS A 271     -21.020  -0.868  26.129  1.00 96.06           O  
+ATOM   2153  CG  LYS A 271     -18.256   1.653  26.684  1.00 96.06           C  
+ATOM   2154  CD  LYS A 271     -17.545   2.223  27.904  1.00 96.06           C  
+ATOM   2155  CE  LYS A 271     -17.836   3.708  28.079  1.00 96.06           C  
+ATOM   2156  NZ  LYS A 271     -17.155   4.268  29.284  1.00 96.06           N  
+ATOM   2157  N   ASP A 272     -20.652   0.894  24.763  1.00 94.71           N  
+ATOM   2158  CA  ASP A 272     -22.057   1.287  24.740  1.00 94.71           C  
+ATOM   2159  C   ASP A 272     -22.917   0.215  24.074  1.00 94.71           C  
+ATOM   2160  CB  ASP A 272     -22.229   2.624  24.017  1.00 94.71           C  
+ATOM   2161  O   ASP A 272     -23.973  -0.153  24.593  1.00 94.71           O  
+ATOM   2162  CG  ASP A 272     -21.610   2.632  22.630  1.00 94.71           C  
+ATOM   2163  OD1 ASP A 272     -20.500   2.085  22.455  1.00 94.71           O  
+ATOM   2164  OD2 ASP A 272     -22.237   3.192  21.705  1.00 94.71           O  
+ATOM   2165  N   LEU A 273     -22.398  -0.308  22.939  1.00 94.28           N  
+ATOM   2166  CA  LEU A 273     -23.136  -1.347  22.227  1.00 94.28           C  
+ATOM   2167  C   LEU A 273     -23.098  -2.664  22.996  1.00 94.28           C  
+ATOM   2168  CB  LEU A 273     -22.561  -1.546  20.822  1.00 94.28           C  
+ATOM   2169  O   LEU A 273     -24.089  -3.397  23.028  1.00 94.28           O  
+ATOM   2170  CG  LEU A 273     -22.667  -0.353  19.871  1.00 94.28           C  
+ATOM   2171  CD1 LEU A 273     -22.037  -0.691  18.524  1.00 94.28           C  
+ATOM   2172  CD2 LEU A 273     -24.123   0.065  19.697  1.00 94.28           C  
+ATOM   2173  N   PHE A 274     -22.015  -2.923  23.608  1.00 96.65           N  
+ATOM   2174  CA  PHE A 274     -21.844  -4.141  24.391  1.00 96.65           C  
+ATOM   2175  C   PHE A 274     -22.815  -4.170  25.566  1.00 96.65           C  
+ATOM   2176  CB  PHE A 274     -20.404  -4.260  24.898  1.00 96.65           C  
+ATOM   2177  O   PHE A 274     -23.440  -5.197  25.837  1.00 96.65           O  
+ATOM   2178  CG  PHE A 274     -20.163  -5.463  25.768  1.00 96.65           C  
+ATOM   2179  CD1 PHE A 274     -19.979  -5.323  27.138  1.00 96.65           C  
+ATOM   2180  CD2 PHE A 274     -20.120  -6.737  25.215  1.00 96.65           C  
+ATOM   2181  CE1 PHE A 274     -19.756  -6.435  27.946  1.00 96.65           C  
+ATOM   2182  CE2 PHE A 274     -19.898  -7.854  26.016  1.00 96.65           C  
+ATOM   2183  CZ  PHE A 274     -19.715  -7.700  27.381  1.00 96.65           C  
+ATOM   2184  N   GLU A 275     -22.945  -3.014  26.227  1.00 96.07           N  
+ATOM   2185  CA  GLU A 275     -23.807  -2.900  27.399  1.00 96.07           C  
+ATOM   2186  C   GLU A 275     -25.247  -3.281  27.064  1.00 96.07           C  
+ATOM   2187  CB  GLU A 275     -23.758  -1.479  27.967  1.00 96.07           C  
+ATOM   2188  O   GLU A 275     -25.906  -3.980  27.837  1.00 96.07           O  
+ATOM   2189  CG  GLU A 275     -24.486  -1.322  29.294  1.00 96.07           C  
+ATOM   2190  CD  GLU A 275     -24.227   0.018  29.965  1.00 96.07           C  
+ATOM   2191  OE1 GLU A 275     -24.388   0.118  31.203  1.00 96.07           O  
+ATOM   2192  OE2 GLU A 275     -23.862   0.975  29.247  1.00 96.07           O  
+ATOM   2193  N   GLU A 276     -25.673  -2.901  25.933  1.00 93.02           N  
+ATOM   2194  CA  GLU A 276     -27.040  -3.200  25.517  1.00 93.02           C  
+ATOM   2195  C   GLU A 276     -27.163  -4.636  25.016  1.00 93.02           C  
+ATOM   2196  CB  GLU A 276     -27.497  -2.222  24.432  1.00 93.02           C  
+ATOM   2197  O   GLU A 276     -28.129  -5.330  25.338  1.00 93.02           O  
+ATOM   2198  CG  GLU A 276     -27.696  -0.798  24.930  1.00 93.02           C  
+ATOM   2199  CD  GLU A 276     -28.722  -0.692  26.048  1.00 93.02           C  
+ATOM   2200  OE1 GLU A 276     -28.449  -0.005  27.058  1.00 93.02           O  
+ATOM   2201  OE2 GLU A 276     -29.806  -1.301  25.912  1.00 93.02           O  
+ATOM   2202  N   LYS A 277     -26.222  -5.100  24.380  1.00 93.73           N  
+ATOM   2203  CA  LYS A 277     -26.233  -6.404  23.722  1.00 93.73           C  
+ATOM   2204  C   LYS A 277     -26.128  -7.535  24.741  1.00 93.73           C  
+ATOM   2205  CB  LYS A 277     -25.091  -6.504  22.709  1.00 93.73           C  
+ATOM   2206  O   LYS A 277     -26.761  -8.581  24.583  1.00 93.73           O  
+ATOM   2207  CG  LYS A 277     -25.170  -7.725  21.805  1.00 93.73           C  
+ATOM   2208  CD  LYS A 277     -24.099  -7.690  20.722  1.00 93.73           C  
+ATOM   2209  CE  LYS A 277     -24.556  -8.409  19.460  1.00 93.73           C  
+ATOM   2210  NZ  LYS A 277     -23.552  -8.289  18.361  1.00 93.73           N  
+ATOM   2211  N   ILE A 278     -25.353  -7.333  25.785  1.00 95.23           N  
+ATOM   2212  CA  ILE A 278     -25.095  -8.378  26.770  1.00 95.23           C  
+ATOM   2213  C   ILE A 278     -26.384  -8.709  27.520  1.00 95.23           C  
+ATOM   2214  CB  ILE A 278     -23.989  -7.958  27.764  1.00 95.23           C  
+ATOM   2215  O   ILE A 278     -26.532  -9.809  28.056  1.00 95.23           O  
+ATOM   2216  CG1 ILE A 278     -23.515  -9.167  28.578  1.00 95.23           C  
+ATOM   2217  CG2 ILE A 278     -24.486  -6.839  28.684  1.00 95.23           C  
+ATOM   2218  CD1 ILE A 278     -22.873 -10.264  27.739  1.00 95.23           C  
+ATOM   2219  N   LYS A 279     -27.363  -7.807  27.488  1.00 93.67           N  
+ATOM   2220  CA  LYS A 279     -28.662  -8.035  28.116  1.00 93.67           C  
+ATOM   2221  C   LYS A 279     -29.475  -9.066  27.338  1.00 93.67           C  
+ATOM   2222  CB  LYS A 279     -29.443  -6.725  28.225  1.00 93.67           C  
+ATOM   2223  O   LYS A 279     -30.319  -9.758  27.910  1.00 93.67           O  
+ATOM   2224  CG  LYS A 279     -28.790  -5.688  29.126  1.00 93.67           C  
+ATOM   2225  CD  LYS A 279     -29.585  -4.389  29.151  1.00 93.67           C  
+ATOM   2226  CE  LYS A 279     -28.893  -3.324  29.992  1.00 93.67           C  
+ATOM   2227  NZ  LYS A 279     -29.625  -2.023  29.951  1.00 93.67           N  
+ATOM   2228  N   LYS A 280     -29.160  -9.252  26.088  1.00 91.13           N  
+ATOM   2229  CA  LYS A 280     -29.998 -10.104  25.250  1.00 91.13           C  
+ATOM   2230  C   LYS A 280     -29.208 -11.295  24.715  1.00 91.13           C  
+ATOM   2231  CB  LYS A 280     -30.588  -9.302  24.089  1.00 91.13           C  
+ATOM   2232  O   LYS A 280     -29.792 -12.305  24.316  1.00 91.13           O  
+ATOM   2233  CG  LYS A 280     -31.415  -8.102  24.523  1.00 91.13           C  
+ATOM   2234  CD  LYS A 280     -31.855  -7.264  23.329  1.00 91.13           C  
+ATOM   2235  CE  LYS A 280     -32.610  -6.016  23.768  1.00 91.13           C  
+ATOM   2236  NZ  LYS A 280     -32.974  -5.152  22.605  1.00 91.13           N  
+ATOM   2237  N   SER A 281     -27.920 -11.234  24.688  1.00 92.91           N  
+ATOM   2238  CA  SER A 281     -27.050 -12.283  24.167  1.00 92.91           C  
+ATOM   2239  C   SER A 281     -25.989 -12.679  25.189  1.00 92.91           C  
+ATOM   2240  CB  SER A 281     -26.376 -11.827  22.872  1.00 92.91           C  
+ATOM   2241  O   SER A 281     -25.107 -11.883  25.517  1.00 92.91           O  
+ATOM   2242  OG  SER A 281     -25.585 -12.867  22.324  1.00 92.91           O  
+ATOM   2243  N   PRO A 282     -26.076 -13.924  25.646  1.00 94.28           N  
+ATOM   2244  CA  PRO A 282     -25.156 -14.368  26.696  1.00 94.28           C  
+ATOM   2245  C   PRO A 282     -23.712 -14.473  26.210  1.00 94.28           C  
+ATOM   2246  CB  PRO A 282     -25.703 -15.744  27.085  1.00 94.28           C  
+ATOM   2247  O   PRO A 282     -23.471 -14.823  25.052  1.00 94.28           O  
+ATOM   2248  CG  PRO A 282     -26.458 -16.209  25.882  1.00 94.28           C  
+ATOM   2249  CD  PRO A 282     -27.001 -15.006  25.166  1.00 94.28           C  
+ATOM   2250  N   LEU A 283     -22.793 -14.218  27.151  1.00 96.20           N  
+ATOM   2251  CA  LEU A 283     -21.370 -14.247  26.834  1.00 96.20           C  
+ATOM   2252  C   LEU A 283     -20.904 -15.672  26.554  1.00 96.20           C  
+ATOM   2253  CB  LEU A 283     -20.553 -13.647  27.982  1.00 96.20           C  
+ATOM   2254  O   LEU A 283     -19.840 -15.877  25.966  1.00 96.20           O  
+ATOM   2255  CG  LEU A 283     -19.066 -13.415  27.707  1.00 96.20           C  
+ATOM   2256  CD1 LEU A 283     -18.888 -12.476  26.518  1.00 96.20           C  
+ATOM   2257  CD2 LEU A 283     -18.374 -12.855  28.945  1.00 96.20           C  
+ATOM   2258  N   THR A 284     -21.622 -16.646  26.988  1.00 94.96           N  
+ATOM   2259  CA  THR A 284     -21.277 -18.057  26.855  1.00 94.96           C  
+ATOM   2260  C   THR A 284     -21.236 -18.467  25.386  1.00 94.96           C  
+ATOM   2261  CB  THR A 284     -22.276 -18.950  27.612  1.00 94.96           C  
+ATOM   2262  O   THR A 284     -20.638 -19.487  25.037  1.00 94.96           O  
+ATOM   2263  CG2 THR A 284     -22.110 -18.804  29.121  1.00 94.96           C  
+ATOM   2264  OG1 THR A 284     -23.612 -18.575  27.252  1.00 94.96           O  
+ATOM   2265  N   ILE A 285     -21.787 -17.676  24.510  1.00 92.50           N  
+ATOM   2266  CA  ILE A 285     -21.730 -17.939  23.076  1.00 92.50           C  
+ATOM   2267  C   ILE A 285     -20.277 -17.929  22.607  1.00 92.50           C  
+ATOM   2268  CB  ILE A 285     -22.558 -16.905  22.279  1.00 92.50           C  
+ATOM   2269  O   ILE A 285     -19.883 -18.746  21.771  1.00 92.50           O  
+ATOM   2270  CG1 ILE A 285     -24.054 -17.087  22.560  1.00 92.50           C  
+ATOM   2271  CG2 ILE A 285     -22.264 -17.019  20.780  1.00 92.50           C  
+ATOM   2272  CD1 ILE A 285     -24.933 -16.000  21.958  1.00 92.50           C  
+ATOM   2273  N   CYS A 286     -19.624 -17.019  23.143  1.00 94.82           N  
+ATOM   2274  CA  CYS A 286     -18.220 -16.872  22.777  1.00 94.82           C  
+ATOM   2275  C   CYS A 286     -17.321 -17.630  23.748  1.00 94.82           C  
+ATOM   2276  CB  CYS A 286     -17.824 -15.396  22.748  1.00 94.82           C  
+ATOM   2277  O   CYS A 286     -16.332 -18.239  23.337  1.00 94.82           O  
+ATOM   2278  SG  CYS A 286     -16.127 -15.108  22.201  1.00 94.82           S  
+ATOM   2279  N   TYR A 287     -17.665 -17.625  25.028  1.00 95.62           N  
+ATOM   2280  CA  TYR A 287     -16.905 -18.263  26.098  1.00 95.62           C  
+ATOM   2281  C   TYR A 287     -17.764 -19.274  26.848  1.00 95.62           C  
+ATOM   2282  CB  TYR A 287     -16.363 -17.213  27.073  1.00 95.62           C  
+ATOM   2283  O   TYR A 287     -18.401 -18.935  27.849  1.00 95.62           O  
+ATOM   2284  CG  TYR A 287     -15.495 -16.167  26.416  1.00 95.62           C  
+ATOM   2285  CD1 TYR A 287     -14.196 -16.464  26.013  1.00 95.62           C  
+ATOM   2286  CD2 TYR A 287     -15.973 -14.879  26.200  1.00 95.62           C  
+ATOM   2287  CE1 TYR A 287     -13.392 -15.502  25.410  1.00 95.62           C  
+ATOM   2288  CE2 TYR A 287     -15.178 -13.909  25.597  1.00 95.62           C  
+ATOM   2289  OH  TYR A 287     -13.100 -13.274  24.609  1.00 95.62           O  
+ATOM   2290  CZ  TYR A 287     -13.891 -14.230  25.206  1.00 95.62           C  
+ATOM   2291  N   PRO A 288     -17.748 -20.493  26.362  1.00 93.78           N  
+ATOM   2292  CA  PRO A 288     -18.619 -21.503  26.969  1.00 93.78           C  
+ATOM   2293  C   PRO A 288     -18.284 -21.766  28.436  1.00 93.78           C  
+ATOM   2294  CB  PRO A 288     -18.360 -22.749  26.118  1.00 93.78           C  
+ATOM   2295  O   PRO A 288     -19.160 -22.154  29.213  1.00 93.78           O  
+ATOM   2296  CG  PRO A 288     -17.879 -22.222  24.805  1.00 93.78           C  
+ATOM   2297  CD  PRO A 288     -17.116 -20.952  25.052  1.00 93.78           C  
+ATOM   2298  N   GLU A 289     -17.061 -21.433  28.813  1.00 93.38           N  
+ATOM   2299  CA  GLU A 289     -16.585 -21.710  30.165  1.00 93.38           C  
+ATOM   2300  C   GLU A 289     -16.922 -20.564  31.114  1.00 93.38           C  
+ATOM   2301  CB  GLU A 289     -15.075 -21.963  30.162  1.00 93.38           C  
+ATOM   2302  O   GLU A 289     -16.693 -20.663  32.321  1.00 93.38           O  
+ATOM   2303  CG  GLU A 289     -14.255 -20.787  29.652  1.00 93.38           C  
+ATOM   2304  CD  GLU A 289     -14.103 -20.771  28.139  1.00 93.38           C  
+ATOM   2305  OE1 GLU A 289     -13.285 -19.979  27.619  1.00 93.38           O  
+ATOM   2306  OE2 GLU A 289     -14.809 -21.557  27.469  1.00 93.38           O  
+ATOM   2307  N   TYR A 290     -17.480 -19.485  30.705  1.00 95.27           N  
+ATOM   2308  CA  TYR A 290     -17.811 -18.315  31.511  1.00 95.27           C  
+ATOM   2309  C   TYR A 290     -18.927 -18.631  32.499  1.00 95.27           C  
+ATOM   2310  CB  TYR A 290     -18.223 -17.143  30.615  1.00 95.27           C  
+ATOM   2311  O   TYR A 290     -19.995 -19.108  32.106  1.00 95.27           O  
+ATOM   2312  CG  TYR A 290     -18.640 -15.911  31.380  1.00 95.27           C  
+ATOM   2313  CD1 TYR A 290     -19.954 -15.449  31.331  1.00 95.27           C  
+ATOM   2314  CD2 TYR A 290     -17.723 -15.207  32.152  1.00 95.27           C  
+ATOM   2315  CE1 TYR A 290     -20.343 -14.313  32.034  1.00 95.27           C  
+ATOM   2316  CE2 TYR A 290     -18.101 -14.069  32.858  1.00 95.27           C  
+ATOM   2317  OH  TYR A 290     -19.790 -12.506  33.491  1.00 95.27           O  
+ATOM   2318  CZ  TYR A 290     -19.411 -13.631  32.793  1.00 95.27           C  
+ATOM   2319  N   ALA A 291     -18.657 -18.439  33.762  1.00 92.93           N  
+ATOM   2320  CA  ALA A 291     -19.609 -18.802  34.809  1.00 92.93           C  
+ATOM   2321  C   ALA A 291     -20.219 -17.559  35.450  1.00 92.93           C  
+ATOM   2322  CB  ALA A 291     -18.930 -19.665  35.869  1.00 92.93           C  
+ATOM   2323  O   ALA A 291     -21.039 -17.664  36.365  1.00 92.93           O  
+ATOM   2324  N   GLY A 292     -19.853 -16.339  34.973  1.00 92.02           N  
+ATOM   2325  CA  GLY A 292     -20.352 -15.107  35.563  1.00 92.02           C  
+ATOM   2326  C   GLY A 292     -21.715 -14.702  35.033  1.00 92.02           C  
+ATOM   2327  O   GLY A 292     -22.266 -15.365  34.152  1.00 92.02           O  
+ATOM   2328  N   SER A 293     -22.318 -13.618  35.664  1.00 93.00           N  
+ATOM   2329  CA  SER A 293     -23.609 -13.097  35.228  1.00 93.00           C  
+ATOM   2330  C   SER A 293     -23.474 -12.289  33.942  1.00 93.00           C  
+ATOM   2331  CB  SER A 293     -24.234 -12.229  36.321  1.00 93.00           C  
+ATOM   2332  O   SER A 293     -22.378 -11.844  33.595  1.00 93.00           O  
+ATOM   2333  OG  SER A 293     -23.423 -11.098  36.591  1.00 93.00           O  
+ATOM   2334  N   ASN A 294     -24.461 -12.145  33.124  1.00 93.69           N  
+ATOM   2335  CA  ASN A 294     -24.477 -11.389  31.876  1.00 93.69           C  
+ATOM   2336  C   ASN A 294     -24.724  -9.904  32.124  1.00 93.69           C  
+ATOM   2337  CB  ASN A 294     -25.531 -11.951  30.921  1.00 93.69           C  
+ATOM   2338  O   ASN A 294     -25.521  -9.277  31.422  1.00 93.69           O  
+ATOM   2339  CG  ASN A 294     -25.093 -13.244  30.261  1.00 93.69           C  
+ATOM   2340  ND2 ASN A 294     -26.011 -14.196  30.154  1.00 93.69           N  
+ATOM   2341  OD1 ASN A 294     -23.937 -13.385  29.853  1.00 93.69           O  
+ATOM   2342  N   THR A 295     -24.025  -9.454  33.224  1.00 94.54           N  
+ATOM   2343  CA  THR A 295     -23.996  -8.019  33.484  1.00 94.54           C  
+ATOM   2344  C   THR A 295     -22.771  -7.377  32.841  1.00 94.54           C  
+ATOM   2345  CB  THR A 295     -23.999  -7.725  34.996  1.00 94.54           C  
+ATOM   2346  O   THR A 295     -21.762  -8.047  32.610  1.00 94.54           O  
+ATOM   2347  CG2 THR A 295     -25.226  -8.328  35.671  1.00 94.54           C  
+ATOM   2348  OG1 THR A 295     -22.819  -8.284  35.587  1.00 94.54           O  
+ATOM   2349  N   TYR A 296     -22.929  -6.149  32.474  1.00 95.31           N  
+ATOM   2350  CA  TYR A 296     -21.843  -5.422  31.825  1.00 95.31           C  
+ATOM   2351  C   TYR A 296     -20.550  -5.550  32.620  1.00 95.31           C  
+ATOM   2352  CB  TYR A 296     -22.210  -3.944  31.659  1.00 95.31           C  
+ATOM   2353  O   TYR A 296     -19.506  -5.903  32.067  1.00 95.31           O  
+ATOM   2354  CG  TYR A 296     -21.050  -3.074  31.241  1.00 95.31           C  
+ATOM   2355  CD1 TYR A 296     -20.372  -2.290  32.171  1.00 95.31           C  
+ATOM   2356  CD2 TYR A 296     -20.630  -3.034  29.916  1.00 95.31           C  
+ATOM   2357  CE1 TYR A 296     -19.303  -1.485  31.790  1.00 95.31           C  
+ATOM   2358  CE2 TYR A 296     -19.562  -2.233  29.524  1.00 95.31           C  
+ATOM   2359  OH  TYR A 296     -17.849  -0.668  30.084  1.00 95.31           O  
+ATOM   2360  CZ  TYR A 296     -18.906  -1.463  30.467  1.00 95.31           C  
+ATOM   2361  N   GLU A 297     -20.571  -5.341  33.868  1.00 94.75           N  
+ATOM   2362  CA  GLU A 297     -19.394  -5.273  34.730  1.00 94.75           C  
+ATOM   2363  C   GLU A 297     -18.645  -6.602  34.746  1.00 94.75           C  
+ATOM   2364  CB  GLU A 297     -19.793  -4.877  36.154  1.00 94.75           C  
+ATOM   2365  O   GLU A 297     -17.437  -6.643  34.500  1.00 94.75           O  
+ATOM   2366  CG  GLU A 297     -20.304  -3.448  36.274  1.00 94.75           C  
+ATOM   2367  CD  GLU A 297     -21.752  -3.290  35.838  1.00 94.75           C  
+ATOM   2368  OE1 GLU A 297     -22.195  -2.142  35.608  1.00 94.75           O  
+ATOM   2369  OE2 GLU A 297     -22.449  -4.323  35.726  1.00 94.75           O  
+ATOM   2370  N   GLU A 298     -19.357  -7.717  34.975  1.00 95.41           N  
+ATOM   2371  CA  GLU A 298     -18.716  -9.023  35.102  1.00 95.41           C  
+ATOM   2372  C   GLU A 298     -18.227  -9.532  33.749  1.00 95.41           C  
+ATOM   2373  CB  GLU A 298     -19.679 -10.036  35.727  1.00 95.41           C  
+ATOM   2374  O   GLU A 298     -17.114 -10.052  33.641  1.00 95.41           O  
+ATOM   2375  CG  GLU A 298     -19.900  -9.834  37.219  1.00 95.41           C  
+ATOM   2376  CD  GLU A 298     -20.581 -11.016  37.890  1.00 95.41           C  
+ATOM   2377  OE1 GLU A 298     -20.995 -10.892  39.065  1.00 95.41           O  
+ATOM   2378  OE2 GLU A 298     -20.701 -12.076  37.236  1.00 95.41           O  
+ATOM   2379  N   ALA A 299     -19.041  -9.295  32.757  1.00 96.71           N  
+ATOM   2380  CA  ALA A 299     -18.702  -9.788  31.425  1.00 96.71           C  
+ATOM   2381  C   ALA A 299     -17.520  -9.020  30.840  1.00 96.71           C  
+ATOM   2382  CB  ALA A 299     -19.910  -9.688  30.497  1.00 96.71           C  
+ATOM   2383  O   ALA A 299     -16.593  -9.618  30.290  1.00 96.71           O  
+ATOM   2384  N   ALA A 300     -17.588  -7.684  30.977  1.00 96.91           N  
+ATOM   2385  CA  ALA A 300     -16.502  -6.848  30.472  1.00 96.91           C  
+ATOM   2386  C   ALA A 300     -15.190  -7.165  31.184  1.00 96.91           C  
+ATOM   2387  CB  ALA A 300     -16.848  -5.370  30.634  1.00 96.91           C  
+ATOM   2388  O   ALA A 300     -14.137  -7.254  30.548  1.00 96.91           O  
+ATOM   2389  N   ALA A 301     -15.244  -7.361  32.457  1.00 96.40           N  
+ATOM   2390  CA  ALA A 301     -14.065  -7.703  33.248  1.00 96.40           C  
+ATOM   2391  C   ALA A 301     -13.482  -9.044  32.811  1.00 96.40           C  
+ATOM   2392  CB  ALA A 301     -14.414  -7.737  34.734  1.00 96.40           C  
+ATOM   2393  O   ALA A 301     -12.261  -9.208  32.756  1.00 96.40           O  
+ATOM   2394  N   TYR A 302     -14.354  -9.956  32.523  1.00 97.18           N  
+ATOM   2395  CA  TYR A 302     -13.917 -11.269  32.063  1.00 97.18           C  
+ATOM   2396  C   TYR A 302     -13.169 -11.163  30.740  1.00 97.18           C  
+ATOM   2397  CB  TYR A 302     -15.114 -12.212  31.912  1.00 97.18           C  
+ATOM   2398  O   TYR A 302     -12.105 -11.763  30.571  1.00 97.18           O  
+ATOM   2399  CG  TYR A 302     -14.732 -13.623  31.534  1.00 97.18           C  
+ATOM   2400  CD1 TYR A 302     -14.812 -14.056  30.213  1.00 97.18           C  
+ATOM   2401  CD2 TYR A 302     -14.292 -14.525  32.497  1.00 97.18           C  
+ATOM   2402  CE1 TYR A 302     -14.463 -15.356  29.860  1.00 97.18           C  
+ATOM   2403  CE2 TYR A 302     -13.940 -15.826  32.155  1.00 97.18           C  
+ATOM   2404  OH  TYR A 302     -13.682 -17.519  30.493  1.00 97.18           O  
+ATOM   2405  CZ  TYR A 302     -14.029 -16.232  30.836  1.00 97.18           C  
+ATOM   2406  N   ILE A 303     -13.735 -10.442  29.821  1.00 97.56           N  
+ATOM   2407  CA  ILE A 303     -13.106 -10.265  28.517  1.00 97.56           C  
+ATOM   2408  C   ILE A 303     -11.749  -9.586  28.687  1.00 97.56           C  
+ATOM   2409  CB  ILE A 303     -14.002  -9.441  27.565  1.00 97.56           C  
+ATOM   2410  O   ILE A 303     -10.768  -9.978  28.050  1.00 97.56           O  
+ATOM   2411  CG1 ILE A 303     -15.270 -10.227  27.212  1.00 97.56           C  
+ATOM   2412  CG2 ILE A 303     -13.230  -9.051  26.301  1.00 97.56           C  
+ATOM   2413  CD1 ILE A 303     -16.278  -9.438  26.387  1.00 97.56           C  
+ATOM   2414  N   GLN A 304     -11.765  -8.594  29.550  1.00 96.95           N  
+ATOM   2415  CA  GLN A 304     -10.504  -7.928  29.859  1.00 96.95           C  
+ATOM   2416  C   GLN A 304      -9.453  -8.931  30.327  1.00 96.95           C  
+ATOM   2417  CB  GLN A 304     -10.712  -6.850  30.924  1.00 96.95           C  
+ATOM   2418  O   GLN A 304      -8.324  -8.932  29.833  1.00 96.95           O  
+ATOM   2419  CG  GLN A 304      -9.430  -6.145  31.344  1.00 96.95           C  
+ATOM   2420  CD  GLN A 304      -9.656  -5.118  32.438  1.00 96.95           C  
+ATOM   2421  NE2 GLN A 304      -8.570  -4.545  32.946  1.00 96.95           N  
+ATOM   2422  OE1 GLN A 304     -10.797  -4.843  32.823  1.00 96.95           O  
+ATOM   2423  N   CYS A 305      -9.807  -9.739  31.201  1.00 95.60           N  
+ATOM   2424  CA  CYS A 305      -8.900 -10.742  31.748  1.00 95.60           C  
+ATOM   2425  C   CYS A 305      -8.415 -11.690  30.658  1.00 95.60           C  
+ATOM   2426  CB  CYS A 305      -9.586 -11.536  32.859  1.00 95.60           C  
+ATOM   2427  O   CYS A 305      -7.237 -12.053  30.625  1.00 95.60           O  
+ATOM   2428  SG  CYS A 305      -9.733 -10.632  34.416  1.00 95.60           S  
+ATOM   2429  N   GLN A 306      -9.258 -12.051  29.780  1.00 96.72           N  
+ATOM   2430  CA  GLN A 306      -8.898 -12.953  28.691  1.00 96.72           C  
+ATOM   2431  C   GLN A 306      -7.795 -12.354  27.823  1.00 96.72           C  
+ATOM   2432  CB  GLN A 306     -10.122 -13.277  27.834  1.00 96.72           C  
+ATOM   2433  O   GLN A 306      -6.855 -13.052  27.435  1.00 96.72           O  
+ATOM   2434  CG  GLN A 306     -11.151 -14.153  28.537  1.00 96.72           C  
+ATOM   2435  CD  GLN A 306     -10.594 -15.506  28.937  1.00 96.72           C  
+ATOM   2436  NE2 GLN A 306     -10.801 -15.885  30.193  1.00 96.72           N  
+ATOM   2437  OE1 GLN A 306      -9.983 -16.206  28.123  1.00 96.72           O  
+ATOM   2438  N   PHE A 307      -7.865 -11.113  27.564  1.00 97.19           N  
+ATOM   2439  CA  PHE A 307      -6.865 -10.446  26.738  1.00 97.19           C  
+ATOM   2440  C   PHE A 307      -5.569 -10.245  27.514  1.00 97.19           C  
+ATOM   2441  CB  PHE A 307      -7.392  -9.098  26.238  1.00 97.19           C  
+ATOM   2442  O   PHE A 307      -4.479 -10.468  26.982  1.00 97.19           O  
+ATOM   2443  CG  PHE A 307      -8.183  -9.192  24.961  1.00 97.19           C  
+ATOM   2444  CD1 PHE A 307      -7.562  -9.026  23.729  1.00 97.19           C  
+ATOM   2445  CD2 PHE A 307      -9.548  -9.446  24.993  1.00 97.19           C  
+ATOM   2446  CE1 PHE A 307      -8.292  -9.112  22.545  1.00 97.19           C  
+ATOM   2447  CE2 PHE A 307     -10.284  -9.533  23.815  1.00 97.19           C  
+ATOM   2448  CZ  PHE A 307      -9.654  -9.365  22.592  1.00 97.19           C  
+ATOM   2449  N   GLU A 308      -5.680  -9.866  28.746  1.00 94.82           N  
+ATOM   2450  CA  GLU A 308      -4.494  -9.616  29.559  1.00 94.82           C  
+ATOM   2451  C   GLU A 308      -3.707 -10.902  29.796  1.00 94.82           C  
+ATOM   2452  CB  GLU A 308      -4.883  -8.983  30.897  1.00 94.82           C  
+ATOM   2453  O   GLU A 308      -2.478 -10.875  29.892  1.00 94.82           O  
+ATOM   2454  CG  GLU A 308      -5.314  -7.528  30.787  1.00 94.82           C  
+ATOM   2455  CD  GLU A 308      -5.731  -6.923  32.118  1.00 94.82           C  
+ATOM   2456  OE1 GLU A 308      -5.898  -5.684  32.197  1.00 94.82           O  
+ATOM   2457  OE2 GLU A 308      -5.892  -7.693  33.091  1.00 94.82           O  
+ATOM   2458  N   ASP A 309      -4.385 -11.990  29.824  1.00 94.94           N  
+ATOM   2459  CA  ASP A 309      -3.759 -13.284  30.078  1.00 94.94           C  
+ATOM   2460  C   ASP A 309      -2.950 -13.750  28.869  1.00 94.94           C  
+ATOM   2461  CB  ASP A 309      -4.816 -14.330  30.439  1.00 94.94           C  
+ATOM   2462  O   ASP A 309      -2.140 -14.673  28.976  1.00 94.94           O  
+ATOM   2463  CG  ASP A 309      -5.333 -14.185  31.859  1.00 94.94           C  
+ATOM   2464  OD1 ASP A 309      -4.725 -13.438  32.656  1.00 94.94           O  
+ATOM   2465  OD2 ASP A 309      -6.355 -14.826  32.186  1.00 94.94           O  
+ATOM   2466  N   LEU A 310      -3.168 -13.086  27.756  1.00 95.14           N  
+ATOM   2467  CA  LEU A 310      -2.442 -13.461  26.548  1.00 95.14           C  
+ATOM   2468  C   LEU A 310      -1.024 -12.900  26.569  1.00 95.14           C  
+ATOM   2469  CB  LEU A 310      -3.181 -12.964  25.302  1.00 95.14           C  
+ATOM   2470  O   LEU A 310      -0.182 -13.296  25.760  1.00 95.14           O  
+ATOM   2471  CG  LEU A 310      -4.513 -13.647  24.987  1.00 95.14           C  
+ATOM   2472  CD1 LEU A 310      -5.196 -12.959  23.811  1.00 95.14           C  
+ATOM   2473  CD2 LEU A 310      -4.299 -15.129  24.696  1.00 95.14           C  
+ATOM   2474  N   ASN A 311      -0.772 -11.989  27.483  1.00 93.05           N  
+ATOM   2475  CA  ASN A 311       0.556 -11.411  27.658  1.00 93.05           C  
+ATOM   2476  C   ASN A 311       1.509 -12.392  28.336  1.00 93.05           C  
+ATOM   2477  CB  ASN A 311       0.475 -10.110  28.459  1.00 93.05           C  
+ATOM   2478  O   ASN A 311       1.389 -12.653  29.534  1.00 93.05           O  
+ATOM   2479  CG  ASN A 311       1.823  -9.434  28.612  1.00 93.05           C  
+ATOM   2480  ND2 ASN A 311       1.895  -8.450  29.501  1.00 93.05           N  
+ATOM   2481  OD1 ASN A 311       2.791  -9.792  27.937  1.00 93.05           O  
+ATOM   2482  N   LYS A 312       2.484 -12.885  27.620  1.00 91.08           N  
+ATOM   2483  CA  LYS A 312       3.409 -13.906  28.106  1.00 91.08           C  
+ATOM   2484  C   LYS A 312       4.553 -13.279  28.897  1.00 91.08           C  
+ATOM   2485  CB  LYS A 312       3.965 -14.725  26.940  1.00 91.08           C  
+ATOM   2486  O   LYS A 312       5.287 -13.979  29.597  1.00 91.08           O  
+ATOM   2487  CG  LYS A 312       2.919 -15.560  26.215  1.00 91.08           C  
+ATOM   2488  CD  LYS A 312       3.535 -16.361  25.076  1.00 91.08           C  
+ATOM   2489  CE  LYS A 312       2.487 -17.187  24.342  1.00 91.08           C  
+ATOM   2490  NZ  LYS A 312       3.071 -17.910  23.172  1.00 91.08           N  
+ATOM   2491  N   ARG A 313       4.658 -11.982  28.884  1.00 85.13           N  
+ATOM   2492  CA  ARG A 313       5.706 -11.251  29.591  1.00 85.13           C  
+ATOM   2493  C   ARG A 313       5.111 -10.326  30.647  1.00 85.13           C  
+ATOM   2494  CB  ARG A 313       6.556 -10.445  28.607  1.00 85.13           C  
+ATOM   2495  O   ARG A 313       5.442  -9.139  30.698  1.00 85.13           O  
+ATOM   2496  CG  ARG A 313       7.272 -11.296  27.570  1.00 85.13           C  
+ATOM   2497  CD  ARG A 313       8.057 -10.442  26.584  1.00 85.13           C  
+ATOM   2498  NE  ARG A 313       7.197  -9.905  25.533  1.00 85.13           N  
+ATOM   2499  NH1 ARG A 313       8.903  -8.839  24.396  1.00 85.13           N  
+ATOM   2500  NH2 ARG A 313       6.751  -8.720  23.617  1.00 85.13           N  
+ATOM   2501  CZ  ARG A 313       7.619  -9.156  24.518  1.00 85.13           C  
+ATOM   2502  N   LYS A 314       4.293 -10.866  31.555  1.00 82.99           N  
+ATOM   2503  CA  LYS A 314       3.550 -10.060  32.520  1.00 82.99           C  
+ATOM   2504  C   LYS A 314       4.490  -9.410  33.531  1.00 82.99           C  
+ATOM   2505  CB  LYS A 314       2.510 -10.915  33.245  1.00 82.99           C  
+ATOM   2506  O   LYS A 314       4.165  -8.370  34.109  1.00 82.99           O  
+ATOM   2507  CG  LYS A 314       1.334 -11.331  32.374  1.00 82.99           C  
+ATOM   2508  CD  LYS A 314       0.286 -12.093  33.175  1.00 82.99           C  
+ATOM   2509  CE  LYS A 314      -0.876 -12.537  32.297  1.00 82.99           C  
+ATOM   2510  NZ  LYS A 314      -1.915 -13.269  33.082  1.00 82.99           N  
+ATOM   2511  N   ASP A 315       5.675  -9.967  33.632  1.00 81.57           N  
+ATOM   2512  CA  ASP A 315       6.614  -9.488  34.642  1.00 81.57           C  
+ATOM   2513  C   ASP A 315       7.377  -8.262  34.145  1.00 81.57           C  
+ATOM   2514  CB  ASP A 315       7.595 -10.596  35.032  1.00 81.57           C  
+ATOM   2515  O   ASP A 315       7.785  -7.414  34.941  1.00 81.57           O  
+ATOM   2516  CG  ASP A 315       8.213 -11.290  33.831  1.00 81.57           C  
+ATOM   2517  OD1 ASP A 315       7.535 -11.426  32.789  1.00 81.57           O  
+ATOM   2518  OD2 ASP A 315       9.387 -11.709  33.928  1.00 81.57           O  
+ATOM   2519  N   THR A 316       7.476  -8.190  32.858  1.00 81.86           N  
+ATOM   2520  CA  THR A 316       8.333  -7.132  32.335  1.00 81.86           C  
+ATOM   2521  C   THR A 316       7.521  -6.136  31.512  1.00 81.86           C  
+ATOM   2522  CB  THR A 316       9.470  -7.709  31.472  1.00 81.86           C  
+ATOM   2523  O   THR A 316       7.957  -5.004  31.290  1.00 81.86           O  
+ATOM   2524  CG2 THR A 316      10.417  -8.562  32.310  1.00 81.86           C  
+ATOM   2525  OG1 THR A 316       8.909  -8.519  30.432  1.00 81.86           O  
+ATOM   2526  N   LYS A 317       6.292  -6.546  31.092  1.00 83.15           N  
+ATOM   2527  CA  LYS A 317       5.507  -5.713  30.185  1.00 83.15           C  
+ATOM   2528  C   LYS A 317       4.070  -5.566  30.678  1.00 83.15           C  
+ATOM   2529  CB  LYS A 317       5.520  -6.298  28.772  1.00 83.15           C  
+ATOM   2530  O   LYS A 317       3.329  -6.548  30.746  1.00 83.15           O  
+ATOM   2531  CG  LYS A 317       4.933  -5.375  27.714  1.00 83.15           C  
+ATOM   2532  CD  LYS A 317       5.165  -5.916  26.309  1.00 83.15           C  
+ATOM   2533  CE  LYS A 317       4.683  -4.938  25.246  1.00 83.15           C  
+ATOM   2534  NZ  LYS A 317       5.030  -5.402  23.869  1.00 83.15           N  
+ATOM   2535  N   GLU A 318       3.750  -4.371  31.004  1.00 85.14           N  
+ATOM   2536  CA  GLU A 318       2.403  -4.083  31.487  1.00 85.14           C  
+ATOM   2537  C   GLU A 318       1.495  -3.628  30.348  1.00 85.14           C  
+ATOM   2538  CB  GLU A 318       2.442  -3.017  32.585  1.00 85.14           C  
+ATOM   2539  O   GLU A 318       1.887  -2.795  29.528  1.00 85.14           O  
+ATOM   2540  CG  GLU A 318       1.105  -2.798  33.277  1.00 85.14           C  
+ATOM   2541  CD  GLU A 318       1.189  -1.842  34.456  1.00 85.14           C  
+ATOM   2542  OE1 GLU A 318       0.197  -1.720  35.211  1.00 85.14           O  
+ATOM   2543  OE2 GLU A 318       2.255  -1.209  34.627  1.00 85.14           O  
+ATOM   2544  N   ILE A 319       0.290  -4.238  30.257  1.00 91.38           N  
+ATOM   2545  CA  ILE A 319      -0.724  -3.840  29.286  1.00 91.38           C  
+ATOM   2546  C   ILE A 319      -1.720  -2.886  29.941  1.00 91.38           C  
+ATOM   2547  CB  ILE A 319      -1.461  -5.067  28.704  1.00 91.38           C  
+ATOM   2548  O   ILE A 319      -2.313  -3.210  30.973  1.00 91.38           O  
+ATOM   2549  CG1 ILE A 319      -0.473  -5.989  27.980  1.00 91.38           C  
+ATOM   2550  CG2 ILE A 319      -2.586  -4.625  27.764  1.00 91.38           C  
+ATOM   2551  CD1 ILE A 319      -1.092  -7.286  27.477  1.00 91.38           C  
+ATOM   2552  N   TYR A 320      -1.852  -1.675  29.340  1.00 92.17           N  
+ATOM   2553  CA  TYR A 320      -2.787  -0.683  29.859  1.00 92.17           C  
+ATOM   2554  C   TYR A 320      -4.144  -0.802  29.174  1.00 92.17           C  
+ATOM   2555  CB  TYR A 320      -2.230   0.731  29.670  1.00 92.17           C  
+ATOM   2556  O   TYR A 320      -4.267  -0.538  27.976  1.00 92.17           O  
+ATOM   2557  CG  TYR A 320      -0.900   0.955  30.348  1.00 92.17           C  
+ATOM   2558  CD1 TYR A 320      -0.833   1.366  31.677  1.00 92.17           C  
+ATOM   2559  CD2 TYR A 320       0.293   0.757  29.660  1.00 92.17           C  
+ATOM   2560  CE1 TYR A 320       0.390   1.575  32.305  1.00 92.17           C  
+ATOM   2561  CE2 TYR A 320       1.522   0.963  30.278  1.00 92.17           C  
+ATOM   2562  OH  TYR A 320       2.774   1.577  32.215  1.00 92.17           O  
+ATOM   2563  CZ  TYR A 320       1.560   1.371  31.599  1.00 92.17           C  
+ATOM   2564  N   THR A 321      -5.100  -1.164  29.974  1.00 95.38           N  
+ATOM   2565  CA  THR A 321      -6.405  -1.479  29.404  1.00 95.38           C  
+ATOM   2566  C   THR A 321      -7.423  -0.398  29.753  1.00 95.38           C  
+ATOM   2567  CB  THR A 321      -6.915  -2.846  29.898  1.00 95.38           C  
+ATOM   2568  O   THR A 321      -7.485   0.059  30.896  1.00 95.38           O  
+ATOM   2569  CG2 THR A 321      -8.226  -3.223  29.218  1.00 95.38           C  
+ATOM   2570  OG1 THR A 321      -5.933  -3.849  29.607  1.00 95.38           O  
+ATOM   2571  N   HIS A 322      -8.218   0.027  28.707  1.00 96.12           N  
+ATOM   2572  CA  HIS A 322      -9.268   1.024  28.883  1.00 96.12           C  
+ATOM   2573  C   HIS A 322     -10.548   0.609  28.166  1.00 96.12           C  
+ATOM   2574  CB  HIS A 322      -8.801   2.389  28.374  1.00 96.12           C  
+ATOM   2575  O   HIS A 322     -10.497   0.059  27.063  1.00 96.12           O  
+ATOM   2576  CG  HIS A 322      -7.611   2.927  29.104  1.00 96.12           C  
+ATOM   2577  CD2 HIS A 322      -6.287   2.834  28.837  1.00 96.12           C  
+ATOM   2578  ND1 HIS A 322      -7.720   3.660  30.266  1.00 96.12           N  
+ATOM   2579  CE1 HIS A 322      -6.511   3.996  30.682  1.00 96.12           C  
+ATOM   2580  NE2 HIS A 322      -5.624   3.507  29.833  1.00 96.12           N  
+ATOM   2581  N   PHE A 323     -11.630   0.848  28.861  1.00 96.72           N  
+ATOM   2582  CA  PHE A 323     -12.919   0.710  28.193  1.00 96.72           C  
+ATOM   2583  C   PHE A 323     -13.301   2.002  27.481  1.00 96.72           C  
+ATOM   2584  CB  PHE A 323     -14.008   0.324  29.199  1.00 96.72           C  
+ATOM   2585  O   PHE A 323     -13.330   3.070  28.095  1.00 96.72           O  
+ATOM   2586  CG  PHE A 323     -13.799  -1.026  29.832  1.00 96.72           C  
+ATOM   2587  CD1 PHE A 323     -14.255  -2.180  29.207  1.00 96.72           C  
+ATOM   2588  CD2 PHE A 323     -13.145  -1.140  31.052  1.00 96.72           C  
+ATOM   2589  CE1 PHE A 323     -14.063  -3.430  29.790  1.00 96.72           C  
+ATOM   2590  CE2 PHE A 323     -12.950  -2.386  31.641  1.00 96.72           C  
+ATOM   2591  CZ  PHE A 323     -13.410  -3.530  31.008  1.00 96.72           C  
+ATOM   2592  N   THR A 324     -13.592   1.833  26.133  1.00 96.44           N  
+ATOM   2593  CA  THR A 324     -13.726   3.066  25.366  1.00 96.44           C  
+ATOM   2594  C   THR A 324     -15.003   3.047  24.531  1.00 96.44           C  
+ATOM   2595  CB  THR A 324     -12.511   3.286  24.446  1.00 96.44           C  
+ATOM   2596  O   THR A 324     -15.546   1.979  24.240  1.00 96.44           O  
+ATOM   2597  CG2 THR A 324     -11.228   3.436  25.257  1.00 96.44           C  
+ATOM   2598  OG1 THR A 324     -12.378   2.166  23.564  1.00 96.44           O  
+ATOM   2599  N   CYS A 325     -15.525   4.230  24.304  1.00 95.72           N  
+ATOM   2600  CA  CYS A 325     -16.505   4.533  23.267  1.00 95.72           C  
+ATOM   2601  C   CYS A 325     -15.968   5.582  22.300  1.00 95.72           C  
+ATOM   2602  CB  CYS A 325     -17.811   5.023  23.891  1.00 95.72           C  
+ATOM   2603  O   CYS A 325     -15.967   6.775  22.608  1.00 95.72           O  
+ATOM   2604  SG  CYS A 325     -19.113   5.358  22.685  1.00 95.72           S  
+ATOM   2605  N   ALA A 326     -15.608   5.103  21.150  1.00 94.17           N  
+ATOM   2606  CA  ALA A 326     -14.875   5.957  20.218  1.00 94.17           C  
+ATOM   2607  C   ALA A 326     -15.769   7.066  19.671  1.00 94.17           C  
+ATOM   2608  CB  ALA A 326     -14.302   5.126  19.073  1.00 94.17           C  
+ATOM   2609  O   ALA A 326     -15.277   8.094  19.201  1.00 94.17           O  
+ATOM   2610  N   THR A 327     -17.053   6.860  19.784  1.00 92.73           N  
+ATOM   2611  CA  THR A 327     -17.969   7.871  19.269  1.00 92.73           C  
+ATOM   2612  C   THR A 327     -18.292   8.907  20.342  1.00 92.73           C  
+ATOM   2613  CB  THR A 327     -19.275   7.234  18.758  1.00 92.73           C  
+ATOM   2614  O   THR A 327     -18.961   9.905  20.068  1.00 92.73           O  
+ATOM   2615  CG2 THR A 327     -19.014   6.341  17.549  1.00 92.73           C  
+ATOM   2616  OG1 THR A 327     -19.856   6.445  19.804  1.00 92.73           O  
+ATOM   2617  N   ASP A 328     -17.855   8.671  21.561  1.00 95.36           N  
+ATOM   2618  CA  ASP A 328     -18.018   9.597  22.677  1.00 95.36           C  
+ATOM   2619  C   ASP A 328     -16.762  10.441  22.880  1.00 95.36           C  
+ATOM   2620  CB  ASP A 328     -18.354   8.836  23.962  1.00 95.36           C  
+ATOM   2621  O   ASP A 328     -15.762   9.956  23.414  1.00 95.36           O  
+ATOM   2622  CG  ASP A 328     -18.691   9.753  25.124  1.00 95.36           C  
+ATOM   2623  OD1 ASP A 328     -18.407  10.968  25.044  1.00 95.36           O  
+ATOM   2624  OD2 ASP A 328     -19.242   9.257  26.130  1.00 95.36           O  
+ATOM   2625  N   THR A 329     -16.833  11.698  22.540  1.00 93.78           N  
+ATOM   2626  CA  THR A 329     -15.679  12.591  22.526  1.00 93.78           C  
+ATOM   2627  C   THR A 329     -15.114  12.766  23.933  1.00 93.78           C  
+ATOM   2628  CB  THR A 329     -16.044  13.967  21.941  1.00 93.78           C  
+ATOM   2629  O   THR A 329     -13.896  12.769  24.122  1.00 93.78           O  
+ATOM   2630  CG2 THR A 329     -14.824  14.879  21.878  1.00 93.78           C  
+ATOM   2631  OG1 THR A 329     -16.567  13.794  20.618  1.00 93.78           O  
+ATOM   2632  N   LYS A 330     -15.921  12.867  24.930  1.00 93.07           N  
+ATOM   2633  CA  LYS A 330     -15.478  13.054  26.308  1.00 93.07           C  
+ATOM   2634  C   LYS A 330     -14.707  11.835  26.808  1.00 93.07           C  
+ATOM   2635  CB  LYS A 330     -16.671  13.331  27.224  1.00 93.07           C  
+ATOM   2636  O   LYS A 330     -13.663  11.974  27.448  1.00 93.07           O  
+ATOM   2637  CG  LYS A 330     -17.288  14.709  27.038  1.00 93.07           C  
+ATOM   2638  CD  LYS A 330     -18.425  14.951  28.023  1.00 93.07           C  
+ATOM   2639  CE  LYS A 330     -19.116  16.282  27.764  1.00 93.07           C  
+ATOM   2640  NZ  LYS A 330     -20.265  16.499  28.693  1.00 93.07           N  
+ATOM   2641  N   ASN A 331     -15.295  10.656  26.515  1.00 93.19           N  
+ATOM   2642  CA  ASN A 331     -14.652   9.404  26.899  1.00 93.19           C  
+ATOM   2643  C   ASN A 331     -13.273   9.264  26.260  1.00 93.19           C  
+ATOM   2644  CB  ASN A 331     -15.533   8.211  26.527  1.00 93.19           C  
+ATOM   2645  O   ASN A 331     -12.298   8.943  26.942  1.00 93.19           O  
+ATOM   2646  CG  ASN A 331     -14.903   6.882  26.894  1.00 93.19           C  
+ATOM   2647  ND2 ASN A 331     -14.803   6.610  28.190  1.00 93.19           N  
+ATOM   2648  OD1 ASN A 331     -14.508   6.106  26.020  1.00 93.19           O  
+ATOM   2649  N   VAL A 332     -13.142   9.558  24.932  1.00 92.74           N  
+ATOM   2650  CA  VAL A 332     -11.893   9.401  24.194  1.00 92.74           C  
+ATOM   2651  C   VAL A 332     -10.864  10.410  24.699  1.00 92.74           C  
+ATOM   2652  CB  VAL A 332     -12.107   9.574  22.673  1.00 92.74           C  
+ATOM   2653  O   VAL A 332      -9.685  10.081  24.848  1.00 92.74           O  
+ATOM   2654  CG1 VAL A 332     -10.768   9.587  21.938  1.00 92.74           C  
+ATOM   2655  CG2 VAL A 332     -13.007   8.464  22.132  1.00 92.74           C  
+ATOM   2656  N   GLN A 333     -11.324  11.599  24.969  1.00 91.15           N  
+ATOM   2657  CA  GLN A 333     -10.421  12.617  25.496  1.00 91.15           C  
+ATOM   2658  C   GLN A 333      -9.821  12.183  26.831  1.00 91.15           C  
+ATOM   2659  CB  GLN A 333     -11.151  13.951  25.658  1.00 91.15           C  
+ATOM   2660  O   GLN A 333      -8.614  12.308  27.045  1.00 91.15           O  
+ATOM   2661  CG  GLN A 333     -10.254  15.092  26.116  1.00 91.15           C  
+ATOM   2662  CD  GLN A 333      -9.233  15.493  25.068  1.00 91.15           C  
+ATOM   2663  NE2 GLN A 333      -8.041  15.873  25.516  1.00 91.15           N  
+ATOM   2664  OE1 GLN A 333      -9.513  15.461  23.866  1.00 91.15           O  
+ATOM   2665  N   PHE A 334     -10.644  11.693  27.729  1.00 89.70           N  
+ATOM   2666  CA  PHE A 334     -10.208  11.238  29.043  1.00 89.70           C  
+ATOM   2667  C   PHE A 334      -9.206  10.097  28.916  1.00 89.70           C  
+ATOM   2668  CB  PHE A 334     -11.407  10.792  29.885  1.00 89.70           C  
+ATOM   2669  O   PHE A 334      -8.159  10.107  29.568  1.00 89.70           O  
+ATOM   2670  CG  PHE A 334     -11.030  10.226  31.227  1.00 89.70           C  
+ATOM   2671  CD1 PHE A 334     -10.928   8.853  31.414  1.00 89.70           C  
+ATOM   2672  CD2 PHE A 334     -10.778  11.068  32.303  1.00 89.70           C  
+ATOM   2673  CE1 PHE A 334     -10.579   8.326  32.656  1.00 89.70           C  
+ATOM   2674  CE2 PHE A 334     -10.429  10.549  33.546  1.00 89.70           C  
+ATOM   2675  CZ  PHE A 334     -10.330   9.178  33.721  1.00 89.70           C  
+ATOM   2676  N   VAL A 335      -9.511   9.110  28.070  1.00 88.75           N  
+ATOM   2677  CA  VAL A 335      -8.689   7.914  27.910  1.00 88.75           C  
+ATOM   2678  C   VAL A 335      -7.351   8.288  27.275  1.00 88.75           C  
+ATOM   2679  CB  VAL A 335      -9.404   6.845  27.055  1.00 88.75           C  
+ATOM   2680  O   VAL A 335      -6.298   7.818  27.711  1.00 88.75           O  
+ATOM   2681  CG1 VAL A 335      -8.454   5.696  26.721  1.00 88.75           C  
+ATOM   2682  CG2 VAL A 335     -10.643   6.323  27.780  1.00 88.75           C  
+ATOM   2683  N   PHE A 336      -7.445   9.185  26.305  1.00 87.20           N  
+ATOM   2684  CA  PHE A 336      -6.215   9.538  25.606  1.00 87.20           C  
+ATOM   2685  C   PHE A 336      -5.309  10.381  26.496  1.00 87.20           C  
+ATOM   2686  CB  PHE A 336      -6.529  10.293  24.311  1.00 87.20           C  
+ATOM   2687  O   PHE A 336      -4.083  10.275  26.420  1.00 87.20           O  
+ATOM   2688  CG  PHE A 336      -5.406  10.274  23.310  1.00 87.20           C  
+ATOM   2689  CD1 PHE A 336      -4.560  11.368  23.172  1.00 87.20           C  
+ATOM   2690  CD2 PHE A 336      -5.195   9.162  22.505  1.00 87.20           C  
+ATOM   2691  CE1 PHE A 336      -3.520  11.354  22.246  1.00 87.20           C  
+ATOM   2692  CE2 PHE A 336      -4.158   9.140  21.578  1.00 87.20           C  
+ATOM   2693  CZ  PHE A 336      -3.322  10.237  21.449  1.00 87.20           C  
+ATOM   2694  N   ASP A 337      -5.851  11.198  27.322  1.00 87.25           N  
+ATOM   2695  CA  ASP A 337      -5.058  11.937  28.300  1.00 87.25           C  
+ATOM   2696  C   ASP A 337      -4.323  10.986  29.243  1.00 87.25           C  
+ATOM   2697  CB  ASP A 337      -5.946  12.890  29.101  1.00 87.25           C  
+ATOM   2698  O   ASP A 337      -3.149  11.196  29.554  1.00 87.25           O  
+ATOM   2699  CG  ASP A 337      -6.388  14.103  28.301  1.00 87.25           C  
+ATOM   2700  OD1 ASP A 337      -5.841  14.340  27.202  1.00 87.25           O  
+ATOM   2701  OD2 ASP A 337      -7.288  14.829  28.774  1.00 87.25           O  
+ATOM   2702  N   ALA A 338      -4.989   9.940  29.662  1.00 85.81           N  
+ATOM   2703  CA  ALA A 338      -4.405   8.932  30.543  1.00 85.81           C  
+ATOM   2704  C   ALA A 338      -3.296   8.160  29.833  1.00 85.81           C  
+ATOM   2705  CB  ALA A 338      -5.482   7.972  31.042  1.00 85.81           C  
+ATOM   2706  O   ALA A 338      -2.243   7.896  30.418  1.00 85.81           O  
+ATOM   2707  N   VAL A 339      -3.528   7.804  28.548  1.00 84.65           N  
+ATOM   2708  CA  VAL A 339      -2.587   7.036  27.740  1.00 84.65           C  
+ATOM   2709  C   VAL A 339      -1.313   7.849  27.518  1.00 84.65           C  
+ATOM   2710  CB  VAL A 339      -3.204   6.630  26.382  1.00 84.65           C  
+ATOM   2711  O   VAL A 339      -0.205   7.321  27.632  1.00 84.65           O  
+ATOM   2712  CG1 VAL A 339      -2.134   6.061  25.452  1.00 84.65           C  
+ATOM   2713  CG2 VAL A 339      -4.329   5.619  26.589  1.00 84.65           C  
+ATOM   2714  N   THR A 340      -1.529   9.116  27.269  1.00 83.18           N  
+ATOM   2715  CA  THR A 340      -0.399   9.998  26.996  1.00 83.18           C  
+ATOM   2716  C   THR A 340       0.469  10.164  28.240  1.00 83.18           C  
+ATOM   2717  CB  THR A 340      -0.873  11.379  26.509  1.00 83.18           C  
+ATOM   2718  O   THR A 340       1.697  10.226  28.143  1.00 83.18           O  
+ATOM   2719  CG2 THR A 340       0.260  12.142  25.831  1.00 83.18           C  
+ATOM   2720  OG1 THR A 340      -1.945  11.208  25.575  1.00 83.18           O  
+ATOM   2721  N   ASP A 341      -0.090  10.173  29.351  1.00 80.72           N  
+ATOM   2722  CA  ASP A 341       0.640  10.279  30.611  1.00 80.72           C  
+ATOM   2723  C   ASP A 341       1.523   9.053  30.839  1.00 80.72           C  
+ATOM   2724  CB  ASP A 341      -0.330  10.452  31.781  1.00 80.72           C  
+ATOM   2725  O   ASP A 341       2.657   9.177  31.306  1.00 80.72           O  
+ATOM   2726  CG  ASP A 341      -0.924  11.848  31.856  1.00 80.72           C  
+ATOM   2727  OD1 ASP A 341      -0.413  12.766  31.180  1.00 80.72           O  
+ATOM   2728  OD2 ASP A 341      -1.911  12.032  32.601  1.00 80.72           O  
+ATOM   2729  N   VAL A 342       0.998   7.936  30.432  1.00 77.76           N  
+ATOM   2730  CA  VAL A 342       1.722   6.676  30.566  1.00 77.76           C  
+ATOM   2731  C   VAL A 342       2.910   6.657  29.607  1.00 77.76           C  
+ATOM   2732  CB  VAL A 342       0.803   5.462  30.301  1.00 77.76           C  
+ATOM   2733  O   VAL A 342       4.010   6.243  29.979  1.00 77.76           O  
+ATOM   2734  CG1 VAL A 342       1.614   4.168  30.266  1.00 77.76           C  
+ATOM   2735  CG2 VAL A 342      -0.293   5.381  31.362  1.00 77.76           C  
+ATOM   2736  N   ILE A 343       2.638   7.121  28.396  1.00 78.83           N  
+ATOM   2737  CA  ILE A 343       3.649   7.112  27.344  1.00 78.83           C  
+ATOM   2738  C   ILE A 343       4.789   8.057  27.716  1.00 78.83           C  
+ATOM   2739  CB  ILE A 343       3.047   7.509  25.978  1.00 78.83           C  
+ATOM   2740  O   ILE A 343       5.963   7.718  27.554  1.00 78.83           O  
+ATOM   2741  CG1 ILE A 343       2.052   6.444  25.502  1.00 78.83           C  
+ATOM   2742  CG2 ILE A 343       4.154   7.725  24.942  1.00 78.83           C  
+ATOM   2743  CD1 ILE A 343       1.275   6.837  24.253  1.00 78.83           C  
+ATOM   2744  N   ILE A 344       4.375   9.175  28.257  1.00 73.52           N  
+ATOM   2745  CA  ILE A 344       5.342  10.204  28.626  1.00 73.52           C  
+ATOM   2746  C   ILE A 344       6.184   9.722  29.805  1.00 73.52           C  
+ATOM   2747  CB  ILE A 344       4.642  11.536  28.976  1.00 73.52           C  
+ATOM   2748  O   ILE A 344       7.399   9.931  29.834  1.00 73.52           O  
+ATOM   2749  CG1 ILE A 344       3.981  12.136  27.730  1.00 73.52           C  
+ATOM   2750  CG2 ILE A 344       5.638  12.522  29.596  1.00 73.52           C  
+ATOM   2751  CD1 ILE A 344       3.142  13.375  28.010  1.00 73.52           C  
+ATOM   2752  N   LYS A 345       5.601   9.078  30.734  1.00 72.15           N  
+ATOM   2753  CA  LYS A 345       6.299   8.534  31.896  1.00 72.15           C  
+ATOM   2754  C   LYS A 345       7.332   7.491  31.479  1.00 72.15           C  
+ATOM   2755  CB  LYS A 345       5.303   7.920  32.881  1.00 72.15           C  
+ATOM   2756  O   LYS A 345       8.455   7.484  31.988  1.00 72.15           O  
+ATOM   2757  CG  LYS A 345       5.854   7.742  34.288  1.00 72.15           C  
+ATOM   2758  CD  LYS A 345       4.814   7.138  35.224  1.00 72.15           C  
+ATOM   2759  CE  LYS A 345       5.396   6.862  36.604  1.00 72.15           C  
+ATOM   2760  NZ  LYS A 345       4.361   6.341  37.547  1.00 72.15           N  
+ATOM   2761  N   ASN A 346       7.018   6.676  30.507  1.00 68.96           N  
+ATOM   2762  CA  ASN A 346       7.903   5.604  30.064  1.00 68.96           C  
+ATOM   2763  C   ASN A 346       9.041   6.138  29.199  1.00 68.96           C  
+ATOM   2764  CB  ASN A 346       7.115   4.535  29.304  1.00 68.96           C  
+ATOM   2765  O   ASN A 346      10.160   5.625  29.251  1.00 68.96           O  
+ATOM   2766  CG  ASN A 346       6.317   3.633  30.225  1.00 68.96           C  
+ATOM   2767  ND2 ASN A 346       5.349   2.919  29.663  1.00 68.96           N  
+ATOM   2768  OD1 ASN A 346       6.569   3.578  31.432  1.00 68.96           O  
+ATOM   2769  N   ASN A 347       8.681   7.174  28.338  1.00 64.47           N  
+ATOM   2770  CA  ASN A 347       9.684   7.755  27.453  1.00 64.47           C  
+ATOM   2771  C   ASN A 347      10.709   8.576  28.230  1.00 64.47           C  
+ATOM   2772  CB  ASN A 347       9.018   8.617  26.378  1.00 64.47           C  
+ATOM   2773  O   ASN A 347      11.880   8.634  27.851  1.00 64.47           O  
+ATOM   2774  CG  ASN A 347       8.710   7.840  25.114  1.00 64.47           C  
+ATOM   2775  ND2 ASN A 347       7.668   8.254  24.402  1.00 64.47           N  
+ATOM   2776  OD1 ASN A 347       9.402   6.874  24.780  1.00 64.47           O  
+ATOM   2777  N   LEU A 348      10.274   9.292  29.316  1.00 54.81           N  
+ATOM   2778  CA  LEU A 348      11.172  10.082  30.151  1.00 54.81           C  
+ATOM   2779  C   LEU A 348      12.101   9.180  30.956  1.00 54.81           C  
+ATOM   2780  CB  LEU A 348      10.372  10.983  31.096  1.00 54.81           C  
+ATOM   2781  O   LEU A 348      13.237   9.557  31.251  1.00 54.81           O  
+ATOM   2782  CG  LEU A 348       9.727  12.220  30.469  1.00 54.81           C  
+ATOM   2783  CD1 LEU A 348       8.669  12.797  31.403  1.00 54.81           C  
+ATOM   2784  CD2 LEU A 348      10.785  13.267  30.140  1.00 54.81           C  
+ATOM   2785  N   LYS A 349      11.731   7.944  31.257  1.00 53.20           N  
+ATOM   2786  CA  LYS A 349      12.652   7.026  31.920  1.00 53.20           C  
+ATOM   2787  C   LYS A 349      13.818   6.661  31.006  1.00 53.20           C  
+ATOM   2788  CB  LYS A 349      11.920   5.759  32.366  1.00 53.20           C  
+ATOM   2789  O   LYS A 349      14.955   6.527  31.464  1.00 53.20           O  
+ATOM   2790  CG  LYS A 349      11.122   5.926  33.651  1.00 53.20           C  
+ATOM   2791  CD  LYS A 349      10.533   4.601  34.119  1.00 53.20           C  
+ATOM   2792  CE  LYS A 349       9.649   4.783  35.345  1.00 53.20           C  
+ATOM   2793  NZ  LYS A 349       9.062   3.488  35.802  1.00 53.20           N  
+ATOM   2794  N   ASP A 350      13.644   6.640  29.692  1.00 50.43           N  
+ATOM   2795  CA  ASP A 350      14.685   6.248  28.747  1.00 50.43           C  
+ATOM   2796  C   ASP A 350      15.605   7.424  28.425  1.00 50.43           C  
+ATOM   2797  CB  ASP A 350      14.064   5.699  27.461  1.00 50.43           C  
+ATOM   2798  O   ASP A 350      16.776   7.230  28.093  1.00 50.43           O  
+ATOM   2799  CG  ASP A 350      13.500   4.299  27.627  1.00 50.43           C  
+ATOM   2800  OD1 ASP A 350      13.869   3.603  28.597  1.00 50.43           O  
+ATOM   2801  OD2 ASP A 350      12.680   3.887  26.778  1.00 50.43           O  
+ATOM   2802  N   CYS A 351      15.185   8.670  28.675  1.00 45.20           N  
+ATOM   2803  CA  CYS A 351      16.000   9.840  28.369  1.00 45.20           C  
+ATOM   2804  C   CYS A 351      16.812  10.272  29.584  1.00 45.20           C  
+ATOM   2805  CB  CYS A 351      15.122  10.996  27.893  1.00 45.20           C  
+ATOM   2806  O   CYS A 351      17.607  11.210  29.503  1.00 45.20           O  
+ATOM   2807  SG  CYS A 351      14.345  10.709  26.288  1.00 45.20           S  
+ATOM   2808  N   GLY A 352      16.919   9.394  30.699  1.00 37.28           N  
+ATOM   2809  CA  GLY A 352      17.781   9.701  31.830  1.00 37.28           C  
+ATOM   2810  C   GLY A 352      17.289  10.878  32.652  1.00 37.28           C  
+ATOM   2811  O   GLY A 352      18.050  11.461  33.427  1.00 37.28           O  
+ATOM   2812  N   LEU A 353      16.097  11.363  32.520  1.00 33.54           N  
+ATOM   2813  CA  LEU A 353      15.617  12.428  33.393  1.00 33.54           C  
+ATOM   2814  C   LEU A 353      14.832  11.854  34.569  1.00 33.54           C  
+ATOM   2815  CB  LEU A 353      14.741  13.410  32.611  1.00 33.54           C  
+ATOM   2816  O   LEU A 353      14.371  12.600  35.435  1.00 33.54           O  
+ATOM   2817  CG  LEU A 353      15.478  14.455  31.772  1.00 33.54           C  
+ATOM   2818  CD1 LEU A 353      14.612  14.898  30.597  1.00 33.54           C  
+ATOM   2819  CD2 LEU A 353      15.873  15.650  32.632  1.00 33.54           C  
+ATOM   2820  N   PHE A 354      15.189  10.630  35.034  1.00 36.01           N  
+ATOM   2821  CA  PHE A 354      15.047  10.184  36.415  1.00 36.01           C  
+ATOM   2822  C   PHE A 354      16.276   9.400  36.860  1.00 36.01           C  
+ATOM   2823  CB  PHE A 354      13.789   9.326  36.578  1.00 36.01           C  
+ATOM   2824  O   PHE A 354      16.842   8.629  36.082  1.00 36.01           O  
+ATOM   2825  CG  PHE A 354      12.505  10.100  36.453  1.00 36.01           C  
+ATOM   2826  CD1 PHE A 354      11.996  10.809  37.534  1.00 36.01           C  
+ATOM   2827  CD2 PHE A 354      11.806  10.120  35.253  1.00 36.01           C  
+ATOM   2828  CE1 PHE A 354      10.808  11.527  37.421  1.00 36.01           C  
+ATOM   2829  CE2 PHE A 354      10.618  10.835  35.132  1.00 36.01           C  
+ATOM   2830  CZ  PHE A 354      10.120  11.537  36.218  1.00 36.01           C  
+ATOM   2831  N   MET B 555     -26.526 -29.230 -18.031  1.00 56.27           N  
+ATOM   2832  CA  MET B 555     -25.227 -28.637 -17.727  1.00 56.27           C  
+ATOM   2833  C   MET B 555     -25.251 -27.129 -17.957  1.00 56.27           C  
+ATOM   2834  CB  MET B 555     -24.129 -29.278 -18.578  1.00 56.27           C  
+ATOM   2835  O   MET B 555     -25.733 -26.662 -18.990  1.00 56.27           O  
+ATOM   2836  CG  MET B 555     -22.816 -29.473 -17.839  1.00 56.27           C  
+ATOM   2837  SD  MET B 555     -21.521 -30.233 -18.894  1.00 56.27           S  
+ATOM   2838  CE  MET B 555     -21.955 -31.986 -18.721  1.00 56.27           C  
+ATOM   2839  N   SER B 556     -25.203 -26.317 -16.990  1.00 78.47           N  
+ATOM   2840  CA  SER B 556     -25.307 -24.863 -17.043  1.00 78.47           C  
+ATOM   2841  C   SER B 556     -24.315 -24.274 -18.041  1.00 78.47           C  
+ATOM   2842  CB  SER B 556     -25.070 -24.257 -15.659  1.00 78.47           C  
+ATOM   2843  O   SER B 556     -23.327 -24.920 -18.397  1.00 78.47           O  
+ATOM   2844  OG  SER B 556     -23.685 -24.205 -15.363  1.00 78.47           O  
+ATOM   2845  N   GLU B 557     -24.655 -23.409 -18.920  1.00 86.49           N  
+ATOM   2846  CA  GLU B 557     -23.860 -22.575 -19.816  1.00 86.49           C  
+ATOM   2847  C   GLU B 557     -22.503 -22.245 -19.202  1.00 86.49           C  
+ATOM   2848  CB  GLU B 557     -24.610 -21.286 -20.159  1.00 86.49           C  
+ATOM   2849  O   GLU B 557     -21.484 -22.243 -19.897  1.00 86.49           O  
+ATOM   2850  CG  GLU B 557     -24.212 -20.680 -21.497  1.00 86.49           C  
+ATOM   2851  CD  GLU B 557     -25.059 -19.479 -21.887  1.00 86.49           C  
+ATOM   2852  OE1 GLU B 557     -24.799 -18.874 -22.952  1.00 86.49           O  
+ATOM   2853  OE2 GLU B 557     -25.989 -19.140 -21.122  1.00 86.49           O  
+ATOM   2854  N   LEU B 558     -22.367 -22.093 -17.897  1.00 85.92           N  
+ATOM   2855  CA  LEU B 558     -21.128 -21.771 -17.198  1.00 85.92           C  
+ATOM   2856  C   LEU B 558     -20.198 -22.979 -17.155  1.00 85.92           C  
+ATOM   2857  CB  LEU B 558     -21.425 -21.290 -15.775  1.00 85.92           C  
+ATOM   2858  O   LEU B 558     -18.984 -22.839 -17.315  1.00 85.92           O  
+ATOM   2859  CG  LEU B 558     -20.888 -19.908 -15.401  1.00 85.92           C  
+ATOM   2860  CD1 LEU B 558     -22.017 -19.023 -14.882  1.00 85.92           C  
+ATOM   2861  CD2 LEU B 558     -19.776 -20.028 -14.364  1.00 85.92           C  
+ATOM   2862  N   ASP B 559     -20.740 -24.102 -17.005  1.00 86.61           N  
+ATOM   2863  CA  ASP B 559     -19.942 -25.324 -16.956  1.00 86.61           C  
+ATOM   2864  C   ASP B 559     -19.334 -25.637 -18.321  1.00 86.61           C  
+ATOM   2865  CB  ASP B 559     -20.793 -26.502 -16.477  1.00 86.61           C  
+ATOM   2866  O   ASP B 559     -18.186 -26.079 -18.409  1.00 86.61           O  
+ATOM   2867  CG  ASP B 559     -21.050 -26.477 -14.980  1.00 86.61           C  
+ATOM   2868  OD1 ASP B 559     -20.267 -25.846 -14.237  1.00 86.61           O  
+ATOM   2869  OD2 ASP B 559     -22.042 -27.097 -14.540  1.00 86.61           O  
+ATOM   2870  N   GLN B 560     -20.075 -25.370 -19.349  1.00 88.79           N  
+ATOM   2871  CA  GLN B 560     -19.598 -25.560 -20.715  1.00 88.79           C  
+ATOM   2872  C   GLN B 560     -18.447 -24.611 -21.033  1.00 88.79           C  
+ATOM   2873  CB  GLN B 560     -20.738 -25.357 -21.715  1.00 88.79           C  
+ATOM   2874  O   GLN B 560     -17.457 -25.011 -21.648  1.00 88.79           O  
+ATOM   2875  CG  GLN B 560     -21.468 -26.641 -22.085  1.00 88.79           C  
+ATOM   2876  CD  GLN B 560     -22.652 -26.400 -23.001  1.00 88.79           C  
+ATOM   2877  NE2 GLN B 560     -23.410 -27.455 -23.281  1.00 88.79           N  
+ATOM   2878  OE1 GLN B 560     -22.885 -25.275 -23.454  1.00 88.79           O  
+ATOM   2879  N   LEU B 561     -18.571 -23.385 -20.608  1.00 90.98           N  
+ATOM   2880  CA  LEU B 561     -17.525 -22.397 -20.850  1.00 90.98           C  
+ATOM   2881  C   LEU B 561     -16.259 -22.745 -20.075  1.00 90.98           C  
+ATOM   2882  CB  LEU B 561     -18.008 -20.998 -20.459  1.00 90.98           C  
+ATOM   2883  O   LEU B 561     -15.148 -22.568 -20.581  1.00 90.98           O  
+ATOM   2884  CG  LEU B 561     -18.981 -20.321 -21.427  1.00 90.98           C  
+ATOM   2885  CD1 LEU B 561     -19.595 -19.084 -20.782  1.00 90.98           C  
+ATOM   2886  CD2 LEU B 561     -18.274 -19.958 -22.729  1.00 90.98           C  
+ATOM   2887  N   ARG B 562     -16.427 -23.268 -18.858  1.00 87.36           N  
+ATOM   2888  CA  ARG B 562     -15.292 -23.699 -18.048  1.00 87.36           C  
+ATOM   2889  C   ARG B 562     -14.546 -24.847 -18.718  1.00 87.36           C  
+ATOM   2890  CB  ARG B 562     -15.757 -24.120 -16.652  1.00 87.36           C  
+ATOM   2891  O   ARG B 562     -13.313 -24.870 -18.731  1.00 87.36           O  
+ATOM   2892  CG  ARG B 562     -15.941 -22.959 -15.688  1.00 87.36           C  
+ATOM   2893  CD  ARG B 562     -16.343 -23.436 -14.300  1.00 87.36           C  
+ATOM   2894  NE  ARG B 562     -16.560 -22.318 -13.387  1.00 87.36           N  
+ATOM   2895  NH1 ARG B 562     -17.309 -23.625 -11.635  1.00 87.36           N  
+ATOM   2896  NH2 ARG B 562     -17.175 -21.349 -11.397  1.00 87.36           N  
+ATOM   2897  CZ  ARG B 562     -17.014 -22.433 -12.142  1.00 87.36           C  
+ATOM   2898  N   GLN B 563     -15.299 -25.734 -19.241  1.00 88.87           N  
+ATOM   2899  CA  GLN B 563     -14.708 -26.874 -19.935  1.00 88.87           C  
+ATOM   2900  C   GLN B 563     -13.971 -26.429 -21.195  1.00 88.87           C  
+ATOM   2901  CB  GLN B 563     -15.783 -27.902 -20.291  1.00 88.87           C  
+ATOM   2902  O   GLN B 563     -12.876 -26.916 -21.484  1.00 88.87           O  
+ATOM   2903  CG  GLN B 563     -15.910 -29.034 -19.280  1.00 88.87           C  
+ATOM   2904  CD  GLN B 563     -16.995 -30.029 -19.647  1.00 88.87           C  
+ATOM   2905  NE2 GLN B 563     -17.264 -30.971 -18.750  1.00 88.87           N  
+ATOM   2906  OE1 GLN B 563     -17.586 -29.952 -20.729  1.00 88.87           O  
+ATOM   2907  N   GLU B 564     -14.615 -25.567 -21.907  1.00 91.56           N  
+ATOM   2908  CA  GLU B 564     -13.982 -25.026 -23.107  1.00 91.56           C  
+ATOM   2909  C   GLU B 564     -12.684 -24.299 -22.766  1.00 91.56           C  
+ATOM   2910  CB  GLU B 564     -14.938 -24.080 -23.839  1.00 91.56           C  
+ATOM   2911  O   GLU B 564     -11.685 -24.437 -23.475  1.00 91.56           O  
+ATOM   2912  CG  GLU B 564     -15.962 -24.794 -24.709  1.00 91.56           C  
+ATOM   2913  CD  GLU B 564     -16.915 -23.843 -25.416  1.00 91.56           C  
+ATOM   2914  OE1 GLU B 564     -17.845 -24.318 -26.107  1.00 91.56           O  
+ATOM   2915  OE2 GLU B 564     -16.730 -22.613 -25.278  1.00 91.56           O  
+ATOM   2916  N   ALA B 565     -12.716 -23.499 -21.733  1.00 85.18           N  
+ATOM   2917  CA  ALA B 565     -11.534 -22.766 -21.284  1.00 85.18           C  
+ATOM   2918  C   ALA B 565     -10.408 -23.723 -20.901  1.00 85.18           C  
+ATOM   2919  CB  ALA B 565     -11.884 -21.862 -20.105  1.00 85.18           C  
+ATOM   2920  O   ALA B 565      -9.248 -23.498 -21.252  1.00 85.18           O  
+ATOM   2921  N   GLU B 566     -10.746 -24.786 -20.231  1.00 87.20           N  
+ATOM   2922  CA  GLU B 566      -9.770 -25.792 -19.823  1.00 87.20           C  
+ATOM   2923  C   GLU B 566      -9.159 -26.491 -21.034  1.00 87.20           C  
+ATOM   2924  CB  GLU B 566     -10.416 -26.822 -18.893  1.00 87.20           C  
+ATOM   2925  O   GLU B 566      -7.955 -26.755 -21.063  1.00 87.20           O  
+ATOM   2926  CG  GLU B 566      -9.416 -27.731 -18.193  1.00 87.20           C  
+ATOM   2927  CD  GLU B 566      -8.468 -26.982 -17.270  1.00 87.20           C  
+ATOM   2928  OE1 GLU B 566      -7.399 -27.533 -16.922  1.00 87.20           O  
+ATOM   2929  OE2 GLU B 566      -8.796 -25.835 -16.893  1.00 87.20           O  
+ATOM   2930  N   GLN B 567      -9.987 -26.789 -21.993  1.00 91.51           N  
+ATOM   2931  CA  GLN B 567      -9.514 -27.407 -23.227  1.00 91.51           C  
+ATOM   2932  C   GLN B 567      -8.540 -26.492 -23.963  1.00 91.51           C  
+ATOM   2933  CB  GLN B 567     -10.692 -27.761 -24.136  1.00 91.51           C  
+ATOM   2934  O   GLN B 567      -7.510 -26.947 -24.465  1.00 91.51           O  
+ATOM   2935  CG  GLN B 567     -11.093 -29.229 -24.081  1.00 91.51           C  
+ATOM   2936  CD  GLN B 567     -12.288 -29.545 -24.961  1.00 91.51           C  
+ATOM   2937  NE2 GLN B 567     -12.681 -30.813 -24.993  1.00 91.51           N  
+ATOM   2938  OE1 GLN B 567     -12.852 -28.656 -25.606  1.00 91.51           O  
+ATOM   2939  N   LEU B 568      -8.838 -25.246 -24.036  1.00 89.54           N  
+ATOM   2940  CA  LEU B 568      -7.969 -24.274 -24.691  1.00 89.54           C  
+ATOM   2941  C   LEU B 568      -6.637 -24.156 -23.958  1.00 89.54           C  
+ATOM   2942  CB  LEU B 568      -8.651 -22.906 -24.759  1.00 89.54           C  
+ATOM   2943  O   LEU B 568      -5.582 -24.059 -24.589  1.00 89.54           O  
+ATOM   2944  CG  LEU B 568      -9.740 -22.743 -25.820  1.00 89.54           C  
+ATOM   2945  CD1 LEU B 568     -10.528 -21.459 -25.580  1.00 89.54           C  
+ATOM   2946  CD2 LEU B 568      -9.130 -22.748 -27.218  1.00 89.54           C  
+ATOM   2947  N   LYS B 569      -6.716 -24.195 -22.637  1.00 84.28           N  
+ATOM   2948  CA  LYS B 569      -5.504 -24.146 -21.824  1.00 84.28           C  
+ATOM   2949  C   LYS B 569      -4.590 -25.329 -22.129  1.00 84.28           C  
+ATOM   2950  CB  LYS B 569      -5.857 -24.125 -20.336  1.00 84.28           C  
+ATOM   2951  O   LYS B 569      -3.374 -25.165 -22.252  1.00 84.28           O  
+ATOM   2952  CG  LYS B 569      -6.208 -22.744 -19.802  1.00 84.28           C  
+ATOM   2953  CD  LYS B 569      -6.474 -22.776 -18.302  1.00 84.28           C  
+ATOM   2954  CE  LYS B 569      -6.912 -21.413 -17.782  1.00 84.28           C  
+ATOM   2955  NZ  LYS B 569      -7.228 -21.453 -16.323  1.00 84.28           N  
+ATOM   2956  N   ASN B 570      -5.169 -26.503 -22.252  1.00 88.22           N  
+ATOM   2957  CA  ASN B 570      -4.415 -27.713 -22.562  1.00 88.22           C  
+ATOM   2958  C   ASN B 570      -3.801 -27.650 -23.957  1.00 88.22           C  
+ATOM   2959  CB  ASN B 570      -5.307 -28.949 -22.430  1.00 88.22           C  
+ATOM   2960  O   ASN B 570      -2.673 -28.101 -24.164  1.00 88.22           O  
+ATOM   2961  CG  ASN B 570      -5.623 -29.290 -20.986  1.00 88.22           C  
+ATOM   2962  ND2 ASN B 570      -6.689 -30.053 -20.777  1.00 88.22           N  
+ATOM   2963  OD1 ASN B 570      -4.915 -28.870 -20.067  1.00 88.22           O  
+ATOM   2964  N   GLN B 571      -4.535 -27.087 -24.870  1.00 89.69           N  
+ATOM   2965  CA  GLN B 571      -4.038 -26.937 -26.234  1.00 89.69           C  
+ATOM   2966  C   GLN B 571      -2.821 -26.017 -26.279  1.00 89.69           C  
+ATOM   2967  CB  GLN B 571      -5.138 -26.397 -27.150  1.00 89.69           C  
+ATOM   2968  O   GLN B 571      -1.855 -26.292 -26.994  1.00 89.69           O  
+ATOM   2969  CG  GLN B 571      -6.194 -27.430 -27.518  1.00 89.69           C  
+ATOM   2970  CD  GLN B 571      -7.290 -26.861 -28.399  1.00 89.69           C  
+ATOM   2971  NE2 GLN B 571      -8.196 -27.723 -28.850  1.00 89.69           N  
+ATOM   2972  OE1 GLN B 571      -7.323 -25.657 -28.672  1.00 89.69           O  
+ATOM   2973  N   ILE B 572      -2.864 -24.945 -25.570  1.00 83.04           N  
+ATOM   2974  CA  ILE B 572      -1.761 -23.993 -25.501  1.00 83.04           C  
+ATOM   2975  C   ILE B 572      -0.542 -24.662 -24.870  1.00 83.04           C  
+ATOM   2976  CB  ILE B 572      -2.153 -22.730 -24.702  1.00 83.04           C  
+ATOM   2977  O   ILE B 572       0.579 -24.517 -25.365  1.00 83.04           O  
+ATOM   2978  CG1 ILE B 572      -3.198 -21.914 -25.472  1.00 83.04           C  
+ATOM   2979  CG2 ILE B 572      -0.917 -21.883 -24.391  1.00 83.04           C  
+ATOM   2980  CD1 ILE B 572      -3.776 -20.747 -24.684  1.00 83.04           C  
+ATOM   2981  N   ARG B 573      -0.793 -25.423 -23.806  1.00 83.26           N  
+ATOM   2982  CA  ARG B 573       0.286 -26.145 -23.141  1.00 83.26           C  
+ATOM   2983  C   ARG B 573       0.966 -27.118 -24.098  1.00 83.26           C  
+ATOM   2984  CB  ARG B 573      -0.244 -26.897 -21.918  1.00 83.26           C  
+ATOM   2985  O   ARG B 573       2.195 -27.198 -24.142  1.00 83.26           O  
+ATOM   2986  CG  ARG B 573       0.845 -27.526 -21.062  1.00 83.26           C  
+ATOM   2987  CD  ARG B 573       0.268 -28.214 -19.833  1.00 83.26           C  
+ATOM   2988  NE  ARG B 573      -0.504 -29.400 -20.191  1.00 83.26           N  
+ATOM   2989  NH1 ARG B 573      -1.261 -29.809 -18.047  1.00 83.26           N  
+ATOM   2990  NH2 ARG B 573      -1.879 -31.190 -19.768  1.00 83.26           N  
+ATOM   2991  CZ  ARG B 573      -1.213 -30.130 -19.334  1.00 83.26           C  
+ATOM   2992  N   ASP B 574       0.185 -27.865 -24.828  1.00 86.59           N  
+ATOM   2993  CA  ASP B 574       0.704 -28.836 -25.786  1.00 86.59           C  
+ATOM   2994  C   ASP B 574       1.487 -28.144 -26.900  1.00 86.59           C  
+ATOM   2995  CB  ASP B 574      -0.436 -29.666 -26.381  1.00 86.59           C  
+ATOM   2996  O   ASP B 574       2.532 -28.636 -27.329  1.00 86.59           O  
+ATOM   2997  CG  ASP B 574      -1.045 -30.637 -25.385  1.00 86.59           C  
+ATOM   2998  OD1 ASP B 574      -0.416 -30.916 -24.342  1.00 86.59           O  
+ATOM   2999  OD2 ASP B 574      -2.164 -31.130 -25.648  1.00 86.59           O  
+ATOM   3000  N   ALA B 575       0.968 -27.006 -27.360  1.00 85.10           N  
+ATOM   3001  CA  ALA B 575       1.650 -26.230 -28.393  1.00 85.10           C  
+ATOM   3002  C   ALA B 575       3.002 -25.725 -27.896  1.00 85.10           C  
+ATOM   3003  CB  ALA B 575       0.779 -25.059 -28.841  1.00 85.10           C  
+ATOM   3004  O   ALA B 575       3.988 -25.741 -28.636  1.00 85.10           O  
+ATOM   3005  N   ARG B 576       3.058 -25.305 -26.628  1.00 83.50           N  
+ATOM   3006  CA  ARG B 576       4.306 -24.834 -26.035  1.00 83.50           C  
+ATOM   3007  C   ARG B 576       5.325 -25.964 -25.934  1.00 83.50           C  
+ATOM   3008  CB  ARG B 576       4.050 -24.234 -24.650  1.00 83.50           C  
+ATOM   3009  O   ARG B 576       6.505 -25.772 -26.234  1.00 83.50           O  
+ATOM   3010  CG  ARG B 576       3.429 -22.847 -24.685  1.00 83.50           C  
+ATOM   3011  CD  ARG B 576       3.160 -22.314 -23.285  1.00 83.50           C  
+ATOM   3012  NE  ARG B 576       2.658 -20.943 -23.317  1.00 83.50           N  
+ATOM   3013  NH1 ARG B 576       2.074 -20.885 -21.083  1.00 83.50           N  
+ATOM   3014  NH2 ARG B 576       1.726 -19.050 -22.412  1.00 83.50           N  
+ATOM   3015  CZ  ARG B 576       2.154 -20.296 -22.271  1.00 83.50           C  
+ATOM   3016  N   LYS B 577       4.856 -27.129 -25.555  1.00 82.90           N  
+ATOM   3017  CA  LYS B 577       5.721 -28.297 -25.412  1.00 82.90           C  
+ATOM   3018  C   LYS B 577       6.279 -28.736 -26.762  1.00 82.90           C  
+ATOM   3019  CB  LYS B 577       4.960 -29.451 -24.758  1.00 82.90           C  
+ATOM   3020  O   LYS B 577       7.438 -29.145 -26.858  1.00 82.90           O  
+ATOM   3021  CG  LYS B 577       4.868 -29.352 -23.243  1.00 82.90           C  
+ATOM   3022  CD  LYS B 577       4.193 -30.579 -22.642  1.00 82.90           C  
+ATOM   3023  CE  LYS B 577       3.979 -30.423 -21.143  1.00 82.90           C  
+ATOM   3024  NZ  LYS B 577       3.287 -31.609 -20.556  1.00 82.90           N  
+ATOM   3025  N   ALA B 578       5.434 -28.615 -27.762  1.00 83.13           N  
+ATOM   3026  CA  ALA B 578       5.821 -29.052 -29.101  1.00 83.13           C  
+ATOM   3027  C   ALA B 578       6.939 -28.179 -29.662  1.00 83.13           C  
+ATOM   3028  CB  ALA B 578       4.614 -29.032 -30.036  1.00 83.13           C  
+ATOM   3029  O   ALA B 578       7.774 -28.651 -30.437  1.00 83.13           O  
+ATOM   3030  N   CYS B 579       7.046 -26.937 -29.266  1.00 81.22           N  
+ATOM   3031  CA  CYS B 579       8.034 -25.999 -29.788  1.00 81.22           C  
+ATOM   3032  C   CYS B 579       9.283 -25.980 -28.914  1.00 81.22           C  
+ATOM   3033  CB  CYS B 579       7.443 -24.593 -29.878  1.00 81.22           C  
+ATOM   3034  O   CYS B 579      10.291 -25.373 -29.278  1.00 81.22           O  
+ATOM   3035  SG  CYS B 579       6.063 -24.456 -31.036  1.00 81.22           S  
+ATOM   3036  N   ALA B 580       9.256 -26.691 -27.670  1.00 81.23           N  
+ATOM   3037  CA  ALA B 580      10.391 -26.740 -26.752  1.00 81.23           C  
+ATOM   3038  C   ALA B 580      11.424 -27.765 -27.211  1.00 81.23           C  
+ATOM   3039  CB  ALA B 580       9.917 -27.065 -25.337  1.00 81.23           C  
+ATOM   3040  O   ALA B 580      11.530 -28.850 -26.635  1.00 81.23           O  
+ATOM   3041  N   ASP B 581      12.156 -27.536 -28.327  1.00 84.19           N  
+ATOM   3042  CA  ASP B 581      13.018 -28.519 -28.976  1.00 84.19           C  
+ATOM   3043  C   ASP B 581      14.397 -28.557 -28.320  1.00 84.19           C  
+ATOM   3044  CB  ASP B 581      13.154 -28.213 -30.469  1.00 84.19           C  
+ATOM   3045  O   ASP B 581      15.199 -29.450 -28.601  1.00 84.19           O  
+ATOM   3046  CG  ASP B 581      13.653 -26.805 -30.742  1.00 84.19           C  
+ATOM   3047  OD1 ASP B 581      13.718 -25.987 -29.800  1.00 84.19           O  
+ATOM   3048  OD2 ASP B 581      13.981 -26.510 -31.912  1.00 84.19           O  
+ATOM   3049  N   ALA B 582      14.747 -27.650 -27.462  1.00 87.19           N  
+ATOM   3050  CA  ALA B 582      16.024 -27.616 -26.754  1.00 87.19           C  
+ATOM   3051  C   ALA B 582      15.932 -26.757 -25.497  1.00 87.19           C  
+ATOM   3052  CB  ALA B 582      17.127 -27.095 -27.672  1.00 87.19           C  
+ATOM   3053  O   ALA B 582      15.102 -25.848 -25.418  1.00 87.19           O  
+ATOM   3054  N   THR B 583      16.698 -27.120 -24.457  1.00 88.75           N  
+ATOM   3055  CA  THR B 583      16.801 -26.294 -23.259  1.00 88.75           C  
+ATOM   3056  C   THR B 583      18.002 -25.358 -23.348  1.00 88.75           C  
+ATOM   3057  CB  THR B 583      16.916 -27.161 -21.991  1.00 88.75           C  
+ATOM   3058  O   THR B 583      18.917 -25.588 -24.142  1.00 88.75           O  
+ATOM   3059  CG2 THR B 583      15.785 -28.183 -21.919  1.00 88.75           C  
+ATOM   3060  OG1 THR B 583      18.170 -27.854 -22.005  1.00 88.75           O  
+ATOM   3061  N   LEU B 584      17.900 -24.211 -22.708  1.00 90.65           N  
+ATOM   3062  CA  LEU B 584      19.018 -23.274 -22.674  1.00 90.65           C  
+ATOM   3063  C   LEU B 584      20.298 -23.972 -22.225  1.00 90.65           C  
+ATOM   3064  CB  LEU B 584      18.707 -22.102 -21.739  1.00 90.65           C  
+ATOM   3065  O   LEU B 584      21.379 -23.691 -22.748  1.00 90.65           O  
+ATOM   3066  CG  LEU B 584      19.735 -20.970 -21.707  1.00 90.65           C  
+ATOM   3067  CD1 LEU B 584      19.898 -20.363 -23.096  1.00 90.65           C  
+ATOM   3068  CD2 LEU B 584      19.324 -19.904 -20.696  1.00 90.65           C  
+ATOM   3069  N   SER B 585      20.239 -24.927 -21.322  1.00 88.89           N  
+ATOM   3070  CA  SER B 585      21.388 -25.687 -20.840  1.00 88.89           C  
+ATOM   3071  C   SER B 585      22.015 -26.511 -21.960  1.00 88.89           C  
+ATOM   3072  CB  SER B 585      20.978 -26.606 -19.688  1.00 88.89           C  
+ATOM   3073  O   SER B 585      23.241 -26.594 -22.064  1.00 88.89           O  
+ATOM   3074  OG  SER B 585      22.097 -27.322 -19.194  1.00 88.89           O  
+ATOM   3075  N   GLN B 586      21.175 -27.096 -22.811  1.00 91.09           N  
+ATOM   3076  CA  GLN B 586      21.640 -27.890 -23.944  1.00 91.09           C  
+ATOM   3077  C   GLN B 586      22.346 -27.016 -24.975  1.00 91.09           C  
+ATOM   3078  CB  GLN B 586      20.472 -28.632 -24.595  1.00 91.09           C  
+ATOM   3079  O   GLN B 586      23.399 -27.389 -25.497  1.00 91.09           O  
+ATOM   3080  CG  GLN B 586      19.938 -29.790 -23.764  1.00 91.09           C  
+ATOM   3081  CD  GLN B 586      18.663 -30.383 -24.333  1.00 91.09           C  
+ATOM   3082  NE2 GLN B 586      18.351 -31.612 -23.935  1.00 91.09           N  
+ATOM   3083  OE1 GLN B 586      17.964 -29.742 -25.124  1.00 91.09           O  
+ATOM   3084  N   ILE B 587      21.820 -25.845 -25.177  1.00 90.80           N  
+ATOM   3085  CA  ILE B 587      22.312 -24.948 -26.217  1.00 90.80           C  
+ATOM   3086  C   ILE B 587      23.630 -24.318 -25.772  1.00 90.80           C  
+ATOM   3087  CB  ILE B 587      21.279 -23.849 -26.552  1.00 90.80           C  
+ATOM   3088  O   ILE B 587      24.510 -24.056 -26.596  1.00 90.80           O  
+ATOM   3089  CG1 ILE B 587      20.016 -24.471 -27.158  1.00 90.80           C  
+ATOM   3090  CG2 ILE B 587      21.885 -22.808 -27.497  1.00 90.80           C  
+ATOM   3091  CD1 ILE B 587      18.879 -23.481 -27.370  1.00 90.80           C  
+ATOM   3092  N   THR B 588      23.761 -24.157 -24.483  1.00 93.73           N  
+ATOM   3093  CA  THR B 588      24.926 -23.435 -23.983  1.00 93.73           C  
+ATOM   3094  C   THR B 588      25.953 -24.402 -23.401  1.00 93.73           C  
+ATOM   3095  CB  THR B 588      24.527 -22.402 -22.913  1.00 93.73           C  
+ATOM   3096  O   THR B 588      26.839 -23.996 -22.647  1.00 93.73           O  
+ATOM   3097  CG2 THR B 588      23.589 -21.346 -23.490  1.00 93.73           C  
+ATOM   3098  OG1 THR B 588      23.865 -23.073 -21.833  1.00 93.73           O  
+ATOM   3099  N   ASN B 589      25.862 -25.686 -23.768  1.00 92.51           N  
+ATOM   3100  CA  ASN B 589      26.723 -26.727 -23.219  1.00 92.51           C  
+ATOM   3101  C   ASN B 589      28.197 -26.431 -23.479  1.00 92.51           C  
+ATOM   3102  CB  ASN B 589      26.347 -28.094 -23.794  1.00 92.51           C  
+ATOM   3103  O   ASN B 589      29.058 -26.781 -22.670  1.00 92.51           O  
+ATOM   3104  CG  ASN B 589      26.934 -29.244 -22.999  1.00 92.51           C  
+ATOM   3105  ND2 ASN B 589      27.149 -30.374 -23.662  1.00 92.51           N  
+ATOM   3106  OD1 ASN B 589      27.191 -29.118 -21.799  1.00 92.51           O  
+ATOM   3107  N   ASN B 590      28.465 -25.725 -24.575  1.00 94.29           N  
+ATOM   3108  CA  ASN B 590      29.849 -25.487 -24.971  1.00 94.29           C  
+ATOM   3109  C   ASN B 590      30.373 -24.167 -24.414  1.00 94.29           C  
+ATOM   3110  CB  ASN B 590      29.982 -25.510 -26.495  1.00 94.29           C  
+ATOM   3111  O   ASN B 590      31.543 -23.829 -24.602  1.00 94.29           O  
+ATOM   3112  CG  ASN B 590      29.664 -26.868 -27.089  1.00 94.29           C  
+ATOM   3113  ND2 ASN B 590      29.242 -26.881 -28.348  1.00 94.29           N  
+ATOM   3114  OD1 ASN B 590      29.794 -27.897 -26.422  1.00 94.29           O  
+ATOM   3115  N   ILE B 591      29.550 -23.513 -23.636  1.00 94.26           N  
+ATOM   3116  CA  ILE B 591      29.945 -22.224 -23.077  1.00 94.26           C  
+ATOM   3117  C   ILE B 591      30.491 -22.420 -21.664  1.00 94.26           C  
+ATOM   3118  CB  ILE B 591      28.763 -21.229 -23.061  1.00 94.26           C  
+ATOM   3119  O   ILE B 591      29.890 -23.127 -20.852  1.00 94.26           O  
+ATOM   3120  CG1 ILE B 591      28.281 -20.950 -24.489  1.00 94.26           C  
+ATOM   3121  CG2 ILE B 591      29.160 -19.930 -22.353  1.00 94.26           C  
+ATOM   3122  CD1 ILE B 591      27.059 -20.045 -24.564  1.00 94.26           C  
+ATOM   3123  N   ASP B 592      31.647 -21.831 -21.429  1.00 93.92           N  
+ATOM   3124  CA  ASP B 592      32.280 -21.949 -20.119  1.00 93.92           C  
+ATOM   3125  C   ASP B 592      31.510 -21.159 -19.064  1.00 93.92           C  
+ATOM   3126  CB  ASP B 592      33.732 -21.471 -20.179  1.00 93.92           C  
+ATOM   3127  O   ASP B 592      30.983 -20.081 -19.349  1.00 93.92           O  
+ATOM   3128  CG  ASP B 592      34.618 -22.370 -21.024  1.00 93.92           C  
+ATOM   3129  OD1 ASP B 592      34.354 -23.589 -21.101  1.00 93.92           O  
+ATOM   3130  OD2 ASP B 592      35.592 -21.855 -21.615  1.00 93.92           O  
+ATOM   3131  N   PRO B 593      31.451 -21.787 -17.844  1.00 92.78           N  
+ATOM   3132  CA  PRO B 593      30.834 -21.031 -16.752  1.00 92.78           C  
+ATOM   3133  C   PRO B 593      31.615 -19.769 -16.393  1.00 92.78           C  
+ATOM   3134  CB  PRO B 593      30.840 -22.026 -15.588  1.00 92.78           C  
+ATOM   3135  O   PRO B 593      32.832 -19.714 -16.590  1.00 92.78           O  
+ATOM   3136  CG  PRO B 593      31.115 -23.352 -16.220  1.00 92.78           C  
+ATOM   3137  CD  PRO B 593      31.833 -23.122 -17.519  1.00 92.78           C  
+ATOM   3138  N   VAL B 594      30.961 -18.716 -15.994  1.00 93.25           N  
+ATOM   3139  CA  VAL B 594      31.544 -17.418 -15.671  1.00 93.25           C  
+ATOM   3140  C   VAL B 594      32.572 -17.576 -14.553  1.00 93.25           C  
+ATOM   3141  CB  VAL B 594      30.460 -16.396 -15.257  1.00 93.25           C  
+ATOM   3142  O   VAL B 594      33.617 -16.922 -14.565  1.00 93.25           O  
+ATOM   3143  CG1 VAL B 594      31.101 -15.125 -14.703  1.00 93.25           C  
+ATOM   3144  CG2 VAL B 594      29.556 -16.069 -16.444  1.00 93.25           C  
+ATOM   3145  N   GLY B 595      32.475 -18.572 -13.703  1.00 92.00           N  
+ATOM   3146  CA  GLY B 595      33.328 -18.742 -12.537  1.00 92.00           C  
+ATOM   3147  C   GLY B 595      32.938 -17.846 -11.377  1.00 92.00           C  
+ATOM   3148  O   GLY B 595      31.891 -17.195 -11.413  1.00 92.00           O  
+ATOM   3149  N   ARG B 596      33.777 -17.874 -10.282  1.00 94.10           N  
+ATOM   3150  CA  ARG B 596      33.513 -17.126  -9.057  1.00 94.10           C  
+ATOM   3151  C   ARG B 596      33.726 -15.632  -9.272  1.00 94.10           C  
+ATOM   3152  CB  ARG B 596      34.407 -17.625  -7.919  1.00 94.10           C  
+ATOM   3153  O   ARG B 596      34.763 -15.215  -9.791  1.00 94.10           O  
+ATOM   3154  CG  ARG B 596      34.064 -17.032  -6.562  1.00 94.10           C  
+ATOM   3155  CD  ARG B 596      34.930 -17.618  -5.455  1.00 94.10           C  
+ATOM   3156  NE  ARG B 596      34.604 -17.042  -4.154  1.00 94.10           N  
+ATOM   3157  NH1 ARG B 596      36.112 -18.334  -2.974  1.00 94.10           N  
+ATOM   3158  NH2 ARG B 596      34.801 -16.806  -1.878  1.00 94.10           N  
+ATOM   3159  CZ  ARG B 596      35.173 -17.395  -3.005  1.00 94.10           C  
+ATOM   3160  N   ILE B 597      32.681 -14.867  -8.992  1.00 93.18           N  
+ATOM   3161  CA  ILE B 597      32.706 -13.411  -9.082  1.00 93.18           C  
+ATOM   3162  C   ILE B 597      32.715 -12.808  -7.679  1.00 93.18           C  
+ATOM   3163  CB  ILE B 597      31.503 -12.874  -9.889  1.00 93.18           C  
+ATOM   3164  O   ILE B 597      31.872 -13.148  -6.845  1.00 93.18           O  
+ATOM   3165  CG1 ILE B 597      31.603 -13.316 -11.354  1.00 93.18           C  
+ATOM   3166  CG2 ILE B 597      31.419 -11.348  -9.782  1.00 93.18           C  
+ATOM   3167  CD1 ILE B 597      30.524 -12.727 -12.253  1.00 93.18           C  
+ATOM   3168  N   GLN B 598      33.726 -11.985  -7.503  1.00 91.49           N  
+ATOM   3169  CA  GLN B 598      33.787 -11.250  -6.244  1.00 91.49           C  
+ATOM   3170  C   GLN B 598      33.705  -9.745  -6.480  1.00 91.49           C  
+ATOM   3171  CB  GLN B 598      35.069 -11.593  -5.483  1.00 91.49           C  
+ATOM   3172  O   GLN B 598      34.613  -9.153  -7.066  1.00 91.49           O  
+ATOM   3173  CG  GLN B 598      35.050 -11.165  -4.022  1.00 91.49           C  
+ATOM   3174  CD  GLN B 598      36.233 -11.701  -3.238  1.00 91.49           C  
+ATOM   3175  NE2 GLN B 598      36.166 -11.594  -1.915  1.00 91.49           N  
+ATOM   3176  OE1 GLN B 598      37.199 -12.209  -3.816  1.00 91.49           O  
+ATOM   3177  N   MET B 599      32.590  -9.194  -6.074  1.00 94.04           N  
+ATOM   3178  CA  MET B 599      32.428  -7.745  -6.139  1.00 94.04           C  
+ATOM   3179  C   MET B 599      32.654  -7.110  -4.772  1.00 94.04           C  
+ATOM   3180  CB  MET B 599      31.036  -7.382  -6.661  1.00 94.04           C  
+ATOM   3181  O   MET B 599      32.290  -7.688  -3.746  1.00 94.04           O  
+ATOM   3182  CG  MET B 599      30.779  -7.836  -8.089  1.00 94.04           C  
+ATOM   3183  SD  MET B 599      29.133  -7.311  -8.707  1.00 94.04           S  
+ATOM   3184  CE  MET B 599      29.223  -7.920 -10.414  1.00 94.04           C  
+ATOM   3185  N   ARG B 600      33.343  -6.039  -4.754  1.00 93.95           N  
+ATOM   3186  CA  ARG B 600      33.562  -5.367  -3.476  1.00 93.95           C  
+ATOM   3187  C   ARG B 600      32.787  -4.055  -3.408  1.00 93.95           C  
+ATOM   3188  CB  ARG B 600      35.053  -5.108  -3.253  1.00 93.95           C  
+ATOM   3189  O   ARG B 600      32.488  -3.451  -4.440  1.00 93.95           O  
+ATOM   3190  CG  ARG B 600      35.897  -6.371  -3.201  1.00 93.95           C  
+ATOM   3191  CD  ARG B 600      37.373  -6.055  -2.998  1.00 93.95           C  
+ATOM   3192  NE  ARG B 600      38.177  -7.271  -2.913  1.00 93.95           N  
+ATOM   3193  NH1 ARG B 600      40.161  -6.175  -2.466  1.00 93.95           N  
+ATOM   3194  NH2 ARG B 600      40.117  -8.462  -2.608  1.00 93.95           N  
+ATOM   3195  CZ  ARG B 600      39.483  -7.300  -2.662  1.00 93.95           C  
+ATOM   3196  N   THR B 601      32.480  -3.685  -2.153  1.00 94.60           N  
+ATOM   3197  CA  THR B 601      31.828  -2.402  -1.920  1.00 94.60           C  
+ATOM   3198  C   THR B 601      32.814  -1.252  -2.104  1.00 94.60           C  
+ATOM   3199  CB  THR B 601      31.214  -2.335  -0.510  1.00 94.60           C  
+ATOM   3200  O   THR B 601      33.806  -1.157  -1.378  1.00 94.60           O  
+ATOM   3201  CG2 THR B 601      30.432  -1.040  -0.311  1.00 94.60           C  
+ATOM   3202  OG1 THR B 601      30.329  -3.447  -0.326  1.00 94.60           O  
+ATOM   3203  N   ARG B 602      32.498  -0.398  -3.039  1.00 94.46           N  
+ATOM   3204  CA  ARG B 602      33.392   0.721  -3.314  1.00 94.46           C  
+ATOM   3205  C   ARG B 602      32.978   1.959  -2.526  1.00 94.46           C  
+ATOM   3206  CB  ARG B 602      33.415   1.037  -4.811  1.00 94.46           C  
+ATOM   3207  O   ARG B 602      33.830   2.694  -2.021  1.00 94.46           O  
+ATOM   3208  CG  ARG B 602      34.119  -0.016  -5.652  1.00 94.46           C  
+ATOM   3209  CD  ARG B 602      35.611  -0.070  -5.356  1.00 94.46           C  
+ATOM   3210  NE  ARG B 602      36.297  -1.031  -6.214  1.00 94.46           N  
+ATOM   3211  NH1 ARG B 602      38.341  -0.830  -5.157  1.00 94.46           N  
+ATOM   3212  NH2 ARG B 602      38.101  -2.255  -6.936  1.00 94.46           N  
+ATOM   3213  CZ  ARG B 602      37.578  -1.370  -6.100  1.00 94.46           C  
+ATOM   3214  N   ARG B 603      31.654   2.093  -2.478  1.00 95.91           N  
+ATOM   3215  CA  ARG B 603      31.118   3.250  -1.769  1.00 95.91           C  
+ATOM   3216  C   ARG B 603      29.864   2.879  -0.984  1.00 95.91           C  
+ATOM   3217  CB  ARG B 603      30.806   4.384  -2.748  1.00 95.91           C  
+ATOM   3218  O   ARG B 603      29.106   1.998  -1.396  1.00 95.91           O  
+ATOM   3219  CG  ARG B 603      31.990   4.799  -3.607  1.00 95.91           C  
+ATOM   3220  CD  ARG B 603      32.156   6.312  -3.645  1.00 95.91           C  
+ATOM   3221  NE  ARG B 603      33.124   6.723  -4.658  1.00 95.91           N  
+ATOM   3222  NH1 ARG B 603      33.999   8.461  -3.414  1.00 95.91           N  
+ATOM   3223  NH2 ARG B 603      34.815   8.022  -5.510  1.00 95.91           N  
+ATOM   3224  CZ  ARG B 603      33.977   7.734  -4.525  1.00 95.91           C  
+ATOM   3225  N   THR B 604      29.761   3.571   0.089  1.00 97.09           N  
+ATOM   3226  CA  THR B 604      28.527   3.502   0.864  1.00 97.09           C  
+ATOM   3227  C   THR B 604      27.853   4.869   0.932  1.00 97.09           C  
+ATOM   3228  CB  THR B 604      28.792   2.986   2.291  1.00 97.09           C  
+ATOM   3229  O   THR B 604      28.468   5.850   1.355  1.00 97.09           O  
+ATOM   3230  CG2 THR B 604      27.493   2.856   3.079  1.00 97.09           C  
+ATOM   3231  OG1 THR B 604      29.425   1.703   2.219  1.00 97.09           O  
+ATOM   3232  N   LEU B 605      26.617   4.896   0.384  1.00 97.88           N  
+ATOM   3233  CA  LEU B 605      25.866   6.146   0.410  1.00 97.88           C  
+ATOM   3234  C   LEU B 605      25.070   6.275   1.705  1.00 97.88           C  
+ATOM   3235  CB  LEU B 605      24.923   6.230  -0.793  1.00 97.88           C  
+ATOM   3236  O   LEU B 605      24.140   5.502   1.947  1.00 97.88           O  
+ATOM   3237  CG  LEU B 605      25.541   5.937  -2.161  1.00 97.88           C  
+ATOM   3238  CD1 LEU B 605      24.508   6.143  -3.264  1.00 97.88           C  
+ATOM   3239  CD2 LEU B 605      26.764   6.817  -2.395  1.00 97.88           C  
+ATOM   3240  N   ARG B 606      25.444   7.315   2.544  1.00 95.28           N  
+ATOM   3241  CA  ARG B 606      24.823   7.553   3.842  1.00 95.28           C  
+ATOM   3242  C   ARG B 606      24.007   8.842   3.831  1.00 95.28           C  
+ATOM   3243  CB  ARG B 606      25.883   7.614   4.944  1.00 95.28           C  
+ATOM   3244  O   ARG B 606      24.508   9.897   3.437  1.00 95.28           O  
+ATOM   3245  CG  ARG B 606      26.705   6.342   5.078  1.00 95.28           C  
+ATOM   3246  CD  ARG B 606      27.794   6.482   6.133  1.00 95.28           C  
+ATOM   3247  NE  ARG B 606      28.644   5.296   6.192  1.00 95.28           N  
+ATOM   3248  NH1 ARG B 606      27.493   4.305   7.933  1.00 95.28           N  
+ATOM   3249  NH2 ARG B 606      29.313   3.258   7.012  1.00 95.28           N  
+ATOM   3250  CZ  ARG B 606      28.481   4.289   7.046  1.00 95.28           C  
+ATOM   3251  N   GLY B 607      22.822   8.701   4.270  1.00 92.82           N  
+ATOM   3252  CA  GLY B 607      21.954   9.866   4.334  1.00 92.82           C  
+ATOM   3253  C   GLY B 607      20.543   9.534   4.782  1.00 92.82           C  
+ATOM   3254  O   GLY B 607      20.005  10.179   5.685  1.00 92.82           O  
+ATOM   3255  N   HIS B 608      20.036   8.514   4.344  1.00 95.35           N  
+ATOM   3256  CA  HIS B 608      18.706   8.103   4.781  1.00 95.35           C  
+ATOM   3257  C   HIS B 608      18.708   7.704   6.252  1.00 95.35           C  
+ATOM   3258  CB  HIS B 608      18.195   6.945   3.923  1.00 95.35           C  
+ATOM   3259  O   HIS B 608      19.708   7.190   6.759  1.00 95.35           O  
+ATOM   3260  CG  HIS B 608      17.599   7.379   2.621  1.00 95.35           C  
+ATOM   3261  CD2 HIS B 608      17.926   7.067   1.345  1.00 95.35           C  
+ATOM   3262  ND1 HIS B 608      16.530   8.246   2.545  1.00 95.35           N  
+ATOM   3263  CE1 HIS B 608      16.225   8.448   1.274  1.00 95.35           C  
+ATOM   3264  NE2 HIS B 608      17.057   7.744   0.526  1.00 95.35           N  
+ATOM   3265  N   LEU B 609      17.583   7.911   6.921  1.00 89.23           N  
+ATOM   3266  CA  LEU B 609      17.490   7.651   8.354  1.00 89.23           C  
+ATOM   3267  C   LEU B 609      16.569   6.468   8.633  1.00 89.23           C  
+ATOM   3268  CB  LEU B 609      16.983   8.893   9.092  1.00 89.23           C  
+ATOM   3269  O   LEU B 609      16.260   6.177   9.791  1.00 89.23           O  
+ATOM   3270  CG  LEU B 609      17.825  10.162   8.941  1.00 89.23           C  
+ATOM   3271  CD1 LEU B 609      17.155  11.330   9.657  1.00 89.23           C  
+ATOM   3272  CD2 LEU B 609      19.234   9.936   9.479  1.00 89.23           C  
+ATOM   3273  N   ALA B 610      16.041   5.924   7.606  1.00 89.30           N  
+ATOM   3274  CA  ALA B 610      15.149   4.775   7.738  1.00 89.30           C  
+ATOM   3275  C   ALA B 610      15.331   3.803   6.576  1.00 89.30           C  
+ATOM   3276  CB  ALA B 610      13.696   5.236   7.820  1.00 89.30           C  
+ATOM   3277  O   ALA B 610      16.304   3.900   5.824  1.00 89.30           O  
+ATOM   3278  N   LYS B 611      14.442   2.782   6.407  1.00 92.98           N  
+ATOM   3279  CA  LYS B 611      14.528   1.722   5.407  1.00 92.98           C  
+ATOM   3280  C   LYS B 611      14.422   2.288   3.995  1.00 92.98           C  
+ATOM   3281  CB  LYS B 611      13.434   0.678   5.637  1.00 92.98           C  
+ATOM   3282  O   LYS B 611      13.582   3.150   3.727  1.00 92.98           O  
+ATOM   3283  CG  LYS B 611      13.565  -0.077   6.951  1.00 92.98           C  
+ATOM   3284  CD  LYS B 611      12.376  -0.999   7.187  1.00 92.98           C  
+ATOM   3285  CE  LYS B 611      12.490  -1.732   8.517  1.00 92.98           C  
+ATOM   3286  NZ  LYS B 611      11.289  -2.577   8.789  1.00 92.98           N  
+ATOM   3287  N   ILE B 612      15.254   1.798   3.206  1.00 97.02           N  
+ATOM   3288  CA  ILE B 612      15.217   2.167   1.795  1.00 97.02           C  
+ATOM   3289  C   ILE B 612      14.389   1.146   1.017  1.00 97.02           C  
+ATOM   3290  CB  ILE B 612      16.639   2.270   1.199  1.00 97.02           C  
+ATOM   3291  O   ILE B 612      14.694  -0.049   1.030  1.00 97.02           O  
+ATOM   3292  CG1 ILE B 612      17.449   3.343   1.935  1.00 97.02           C  
+ATOM   3293  CG2 ILE B 612      16.575   2.564  -0.302  1.00 97.02           C  
+ATOM   3294  CD1 ILE B 612      18.934   3.337   1.598  1.00 97.02           C  
+ATOM   3295  N   TYR B 613      13.412   1.622   0.245  1.00 95.23           N  
+ATOM   3296  CA  TYR B 613      12.476   0.713  -0.407  1.00 95.23           C  
+ATOM   3297  C   TYR B 613      12.762   0.615  -1.900  1.00 95.23           C  
+ATOM   3298  CB  TYR B 613      11.033   1.174  -0.180  1.00 95.23           C  
+ATOM   3299  O   TYR B 613      12.483  -0.411  -2.526  1.00 95.23           O  
+ATOM   3300  CG  TYR B 613      10.460   0.745   1.149  1.00 95.23           C  
+ATOM   3301  CD1 TYR B 613       9.910  -0.524   1.315  1.00 95.23           C  
+ATOM   3302  CD2 TYR B 613      10.466   1.608   2.239  1.00 95.23           C  
+ATOM   3303  CE1 TYR B 613       9.379  -0.923   2.537  1.00 95.23           C  
+ATOM   3304  CE2 TYR B 613       9.938   1.220   3.466  1.00 95.23           C  
+ATOM   3305  OH  TYR B 613       8.873  -0.435   4.817  1.00 95.23           O  
+ATOM   3306  CZ  TYR B 613       9.398  -0.046   3.605  1.00 95.23           C  
+ATOM   3307  N   ALA B 614      13.192   1.734  -2.432  1.00 97.47           N  
+ATOM   3308  CA  ALA B 614      13.372   1.721  -3.882  1.00 97.47           C  
+ATOM   3309  C   ALA B 614      14.532   2.620  -4.298  1.00 97.47           C  
+ATOM   3310  CB  ALA B 614      12.087   2.157  -4.581  1.00 97.47           C  
+ATOM   3311  O   ALA B 614      14.848   3.594  -3.611  1.00 97.47           O  
+ATOM   3312  N   MET B 615      15.138   2.256  -5.376  1.00 97.81           N  
+ATOM   3313  CA  MET B 615      16.212   3.035  -5.985  1.00 97.81           C  
+ATOM   3314  C   MET B 615      16.180   2.910  -7.505  1.00 97.81           C  
+ATOM   3315  CB  MET B 615      17.573   2.585  -5.452  1.00 97.81           C  
+ATOM   3316  O   MET B 615      15.673   1.922  -8.040  1.00 97.81           O  
+ATOM   3317  CG  MET B 615      17.969   1.183  -5.886  1.00 97.81           C  
+ATOM   3318  SD  MET B 615      18.877   1.172  -7.480  1.00 97.81           S  
+ATOM   3319  CE  MET B 615      20.220   2.329  -7.092  1.00 97.81           C  
+ATOM   3320  N   HIS B 616      16.543   3.972  -8.165  1.00 98.28           N  
+ATOM   3321  CA  HIS B 616      16.621   3.936  -9.621  1.00 98.28           C  
+ATOM   3322  C   HIS B 616      17.763   4.807 -10.133  1.00 98.28           C  
+ATOM   3323  CB  HIS B 616      15.297   4.390 -10.239  1.00 98.28           C  
+ATOM   3324  O   HIS B 616      17.915   5.954  -9.706  1.00 98.28           O  
+ATOM   3325  CG  HIS B 616      15.190   4.104 -11.704  1.00 98.28           C  
+ATOM   3326  CD2 HIS B 616      15.318   2.947 -12.395  1.00 98.28           C  
+ATOM   3327  ND1 HIS B 616      14.923   5.084 -12.635  1.00 98.28           N  
+ATOM   3328  CE1 HIS B 616      14.890   4.540 -13.840  1.00 98.28           C  
+ATOM   3329  NE2 HIS B 616      15.126   3.244 -13.722  1.00 98.28           N  
+ATOM   3330  N   TRP B 617      18.568   4.211 -11.126  1.00 98.06           N  
+ATOM   3331  CA  TRP B 617      19.678   4.942 -11.728  1.00 98.06           C  
+ATOM   3332  C   TRP B 617      19.170   5.981 -12.723  1.00 98.06           C  
+ATOM   3333  CB  TRP B 617      20.643   3.979 -12.425  1.00 98.06           C  
+ATOM   3334  O   TRP B 617      18.179   5.749 -13.420  1.00 98.06           O  
+ATOM   3335  CG  TRP B 617      21.488   3.176 -11.482  1.00 98.06           C  
+ATOM   3336  CD1 TRP B 617      21.293   1.877 -11.102  1.00 98.06           C  
+ATOM   3337  CD2 TRP B 617      22.661   3.623 -10.795  1.00 98.06           C  
+ATOM   3338  CE2 TRP B 617      23.127   2.541 -10.016  1.00 98.06           C  
+ATOM   3339  CE3 TRP B 617      23.365   4.834 -10.764  1.00 98.06           C  
+ATOM   3340  NE1 TRP B 617      22.275   1.489 -10.221  1.00 98.06           N  
+ATOM   3341  CH2 TRP B 617      24.936   3.831  -9.201  1.00 98.06           C  
+ATOM   3342  CZ2 TRP B 617      24.266   2.635  -9.213  1.00 98.06           C  
+ATOM   3343  CZ3 TRP B 617      24.499   4.926  -9.965  1.00 98.06           C  
+ATOM   3344  N   GLY B 618      19.844   7.069 -12.758  1.00 95.79           N  
+ATOM   3345  CA  GLY B 618      19.686   7.970 -13.888  1.00 95.79           C  
+ATOM   3346  C   GLY B 618      20.379   7.479 -15.145  1.00 95.79           C  
+ATOM   3347  O   GLY B 618      21.183   6.546 -15.092  1.00 95.79           O  
+ATOM   3348  N   THR B 619      20.116   8.091 -16.279  1.00 92.34           N  
+ATOM   3349  CA  THR B 619      20.670   7.621 -17.544  1.00 92.34           C  
+ATOM   3350  C   THR B 619      22.119   8.074 -17.701  1.00 92.34           C  
+ATOM   3351  CB  THR B 619      19.840   8.125 -18.739  1.00 92.34           C  
+ATOM   3352  O   THR B 619      22.848   7.558 -18.551  1.00 92.34           O  
+ATOM   3353  CG2 THR B 619      18.474   7.449 -18.784  1.00 92.34           C  
+ATOM   3354  OG1 THR B 619      19.656   9.542 -18.622  1.00 92.34           O  
+ATOM   3355  N   ASP B 620      22.565   8.890 -16.821  1.00 93.79           N  
+ATOM   3356  CA  ASP B 620      23.922   9.424 -16.901  1.00 93.79           C  
+ATOM   3357  C   ASP B 620      24.926   8.471 -16.258  1.00 93.79           C  
+ATOM   3358  CB  ASP B 620      23.998  10.799 -16.233  1.00 93.79           C  
+ATOM   3359  O   ASP B 620      26.119   8.774 -16.187  1.00 93.79           O  
+ATOM   3360  CG  ASP B 620      23.584  10.772 -14.773  1.00 93.79           C  
+ATOM   3361  OD1 ASP B 620      23.176   9.701 -14.274  1.00 93.79           O  
+ATOM   3362  OD2 ASP B 620      23.663  11.832 -14.116  1.00 93.79           O  
+ATOM   3363  N   SER B 621      24.471   7.327 -15.705  1.00 94.73           N  
+ATOM   3364  CA  SER B 621      25.280   6.302 -15.055  1.00 94.73           C  
+ATOM   3365  C   SER B 621      26.056   6.875 -13.874  1.00 94.73           C  
+ATOM   3366  CB  SER B 621      26.251   5.671 -16.055  1.00 94.73           C  
+ATOM   3367  O   SER B 621      27.099   6.341 -13.491  1.00 94.73           O  
+ATOM   3368  OG  SER B 621      25.547   4.990 -17.079  1.00 94.73           O  
+ATOM   3369  N   ARG B 622      25.521   7.934 -13.415  1.00 95.23           N  
+ATOM   3370  CA  ARG B 622      26.185   8.607 -12.303  1.00 95.23           C  
+ATOM   3371  C   ARG B 622      25.204   8.891 -11.170  1.00 95.23           C  
+ATOM   3372  CB  ARG B 622      26.833   9.911 -12.773  1.00 95.23           C  
+ATOM   3373  O   ARG B 622      25.407   8.442 -10.040  1.00 95.23           O  
+ATOM   3374  CG  ARG B 622      27.505  10.701 -11.662  1.00 95.23           C  
+ATOM   3375  CD  ARG B 622      28.250  11.913 -12.202  1.00 95.23           C  
+ATOM   3376  NE  ARG B 622      28.795  12.735 -11.125  1.00 95.23           N  
+ATOM   3377  NH1 ARG B 622      29.872  14.223 -12.527  1.00 95.23           N  
+ATOM   3378  NH2 ARG B 622      29.995  14.488 -10.253  1.00 95.23           N  
+ATOM   3379  CZ  ARG B 622      29.553  13.813 -11.304  1.00 95.23           C  
+ATOM   3380  N   LEU B 623      24.149   9.514 -11.468  1.00 97.25           N  
+ATOM   3381  CA  LEU B 623      23.168   9.899 -10.459  1.00 97.25           C  
+ATOM   3382  C   LEU B 623      22.143   8.790 -10.246  1.00 97.25           C  
+ATOM   3383  CB  LEU B 623      22.459  11.194 -10.866  1.00 97.25           C  
+ATOM   3384  O   LEU B 623      21.837   8.036 -11.173  1.00 97.25           O  
+ATOM   3385  CG  LEU B 623      23.348  12.426 -11.045  1.00 97.25           C  
+ATOM   3386  CD1 LEU B 623      22.507  13.632 -11.449  1.00 97.25           C  
+ATOM   3387  CD2 LEU B 623      24.126  12.714  -9.765  1.00 97.25           C  
+ATOM   3388  N   LEU B 624      21.709   8.688  -9.051  1.00 97.81           N  
+ATOM   3389  CA  LEU B 624      20.609   7.776  -8.758  1.00 97.81           C  
+ATOM   3390  C   LEU B 624      19.673   8.371  -7.712  1.00 97.81           C  
+ATOM   3391  CB  LEU B 624      21.146   6.427  -8.271  1.00 97.81           C  
+ATOM   3392  O   LEU B 624      20.063   9.269  -6.963  1.00 97.81           O  
+ATOM   3393  CG  LEU B 624      21.907   6.440  -6.944  1.00 97.81           C  
+ATOM   3394  CD1 LEU B 624      20.957   6.156  -5.785  1.00 97.81           C  
+ATOM   3395  CD2 LEU B 624      23.045   5.425  -6.970  1.00 97.81           C  
+ATOM   3396  N   VAL B 625      18.441   7.918  -7.754  1.00 98.40           N  
+ATOM   3397  CA  VAL B 625      17.438   8.369  -6.794  1.00 98.40           C  
+ATOM   3398  C   VAL B 625      17.042   7.213  -5.878  1.00 98.40           C  
+ATOM   3399  CB  VAL B 625      16.189   8.937  -7.504  1.00 98.40           C  
+ATOM   3400  O   VAL B 625      16.973   6.062  -6.315  1.00 98.40           O  
+ATOM   3401  CG1 VAL B 625      15.532   7.871  -8.379  1.00 98.40           C  
+ATOM   3402  CG2 VAL B 625      15.194   9.479  -6.480  1.00 98.40           C  
+ATOM   3403  N   SER B 626      16.898   7.520  -4.615  1.00 98.52           N  
+ATOM   3404  CA  SER B 626      16.442   6.538  -3.638  1.00 98.52           C  
+ATOM   3405  C   SER B 626      15.247   7.059  -2.846  1.00 98.52           C  
+ATOM   3406  CB  SER B 626      17.576   6.168  -2.680  1.00 98.52           C  
+ATOM   3407  O   SER B 626      15.132   8.263  -2.607  1.00 98.52           O  
+ATOM   3408  OG  SER B 626      17.994   7.299  -1.935  1.00 98.52           O  
+ATOM   3409  N   ALA B 627      14.359   6.144  -2.474  1.00 97.48           N  
+ATOM   3410  CA  ALA B 627      13.181   6.454  -1.668  1.00 97.48           C  
+ATOM   3411  C   ALA B 627      13.200   5.685  -0.350  1.00 97.48           C  
+ATOM   3412  CB  ALA B 627      11.906   6.138  -2.447  1.00 97.48           C  
+ATOM   3413  O   ALA B 627      13.398   4.468  -0.338  1.00 97.48           O  
+ATOM   3414  N   SER B 628      12.904   6.380   0.722  1.00 94.97           N  
+ATOM   3415  CA  SER B 628      13.034   5.779   2.045  1.00 94.97           C  
+ATOM   3416  C   SER B 628      11.810   6.069   2.907  1.00 94.97           C  
+ATOM   3417  CB  SER B 628      14.294   6.290   2.745  1.00 94.97           C  
+ATOM   3418  O   SER B 628      11.036   6.980   2.608  1.00 94.97           O  
+ATOM   3419  OG  SER B 628      14.339   5.845   4.089  1.00 94.97           O  
+ATOM   3420  N   GLN B 629      11.713   5.246   3.896  1.00 88.36           N  
+ATOM   3421  CA  GLN B 629      10.633   5.399   4.865  1.00 88.36           C  
+ATOM   3422  C   GLN B 629      10.820   6.662   5.702  1.00 88.36           C  
+ATOM   3423  CB  GLN B 629      10.550   4.173   5.775  1.00 88.36           C  
+ATOM   3424  O   GLN B 629       9.932   7.042   6.467  1.00 88.36           O  
+ATOM   3425  CG  GLN B 629       9.291   4.127   6.631  1.00 88.36           C  
+ATOM   3426  CD  GLN B 629       9.140   2.817   7.382  1.00 88.36           C  
+ATOM   3427  NE2 GLN B 629       7.925   2.534   7.840  1.00 88.36           N  
+ATOM   3428  OE1 GLN B 629      10.106   2.066   7.548  1.00 88.36           O  
+ATOM   3429  N   ASP B 630      11.892   7.152   5.618  1.00 88.14           N  
+ATOM   3430  CA  ASP B 630      12.119   8.400   6.339  1.00 88.14           C  
+ATOM   3431  C   ASP B 630      11.371   9.558   5.683  1.00 88.14           C  
+ATOM   3432  CB  ASP B 630      13.615   8.714   6.410  1.00 88.14           C  
+ATOM   3433  O   ASP B 630      11.453  10.698   6.143  1.00 88.14           O  
+ATOM   3434  CG  ASP B 630      14.239   8.939   5.045  1.00 88.14           C  
+ATOM   3435  OD1 ASP B 630      13.501   8.991   4.037  1.00 88.14           O  
+ATOM   3436  OD2 ASP B 630      15.481   9.062   4.974  1.00 88.14           O  
+ATOM   3437  N   GLY B 631      10.697   9.336   4.597  1.00 88.50           N  
+ATOM   3438  CA  GLY B 631       9.854  10.317   3.932  1.00 88.50           C  
+ATOM   3439  C   GLY B 631      10.623  11.222   2.988  1.00 88.50           C  
+ATOM   3440  O   GLY B 631      10.216  12.359   2.741  1.00 88.50           O  
+ATOM   3441  N   LYS B 632      11.778  10.673   2.521  1.00 94.13           N  
+ATOM   3442  CA  LYS B 632      12.607  11.503   1.651  1.00 94.13           C  
+ATOM   3443  C   LYS B 632      12.982  10.757   0.373  1.00 94.13           C  
+ATOM   3444  CB  LYS B 632      13.871  11.955   2.384  1.00 94.13           C  
+ATOM   3445  O   LYS B 632      13.183   9.541   0.395  1.00 94.13           O  
+ATOM   3446  CG  LYS B 632      13.602  12.845   3.589  1.00 94.13           C  
+ATOM   3447  CD  LYS B 632      14.844  13.632   3.990  1.00 94.13           C  
+ATOM   3448  CE  LYS B 632      14.573  14.533   5.187  1.00 94.13           C  
+ATOM   3449  NZ  LYS B 632      15.802  15.264   5.619  1.00 94.13           N  
+ATOM   3450  N   LEU B 633      12.984  11.523  -0.681  1.00 97.01           N  
+ATOM   3451  CA  LEU B 633      13.731  11.137  -1.874  1.00 97.01           C  
+ATOM   3452  C   LEU B 633      15.112  11.782  -1.882  1.00 97.01           C  
+ATOM   3453  CB  LEU B 633      12.963  11.531  -3.138  1.00 97.01           C  
+ATOM   3454  O   LEU B 633      15.238  12.994  -1.691  1.00 97.01           O  
+ATOM   3455  CG  LEU B 633      11.734  10.685  -3.477  1.00 97.01           C  
+ATOM   3456  CD1 LEU B 633      10.985  11.288  -4.660  1.00 97.01           C  
+ATOM   3457  CD2 LEU B 633      12.142   9.246  -3.773  1.00 97.01           C  
+ATOM   3458  N   ILE B 634      16.126  10.942  -2.077  1.00 97.62           N  
+ATOM   3459  CA  ILE B 634      17.458  11.532  -2.155  1.00 97.62           C  
+ATOM   3460  C   ILE B 634      18.072  11.243  -3.523  1.00 97.62           C  
+ATOM   3461  CB  ILE B 634      18.378  11.002  -1.032  1.00 97.62           C  
+ATOM   3462  O   ILE B 634      18.027  10.108  -4.002  1.00 97.62           O  
+ATOM   3463  CG1 ILE B 634      17.828  11.401   0.342  1.00 97.62           C  
+ATOM   3464  CG2 ILE B 634      19.809  11.514  -1.219  1.00 97.62           C  
+ATOM   3465  CD1 ILE B 634      18.650  10.882   1.513  1.00 97.62           C  
+ATOM   3466  N   ILE B 635      18.562  12.268  -4.126  1.00 97.57           N  
+ATOM   3467  CA  ILE B 635      19.344  12.124  -5.349  1.00 97.57           C  
+ATOM   3468  C   ILE B 635      20.834  12.130  -5.013  1.00 97.57           C  
+ATOM   3469  CB  ILE B 635      19.019  13.244  -6.363  1.00 97.57           C  
+ATOM   3470  O   ILE B 635      21.328  13.060  -4.372  1.00 97.57           O  
+ATOM   3471  CG1 ILE B 635      17.507  13.329  -6.599  1.00 97.57           C  
+ATOM   3472  CG2 ILE B 635      19.767  13.015  -7.680  1.00 97.57           C  
+ATOM   3473  CD1 ILE B 635      16.867  12.005  -6.993  1.00 97.57           C  
+ATOM   3474  N   TRP B 636      21.483  11.045  -5.514  1.00 97.65           N  
+ATOM   3475  CA  TRP B 636      22.875  10.822  -5.138  1.00 97.65           C  
+ATOM   3476  C   TRP B 636      23.798  10.988  -6.342  1.00 97.65           C  
+ATOM   3477  CB  TRP B 636      23.052   9.427  -4.533  1.00 97.65           C  
+ATOM   3478  O   TRP B 636      23.420  10.665  -7.470  1.00 97.65           O  
+ATOM   3479  CG  TRP B 636      22.062   9.100  -3.456  1.00 97.65           C  
+ATOM   3480  CD1 TRP B 636      20.787   8.635  -3.622  1.00 97.65           C  
+ATOM   3481  CD2 TRP B 636      22.264   9.220  -2.044  1.00 97.65           C  
+ATOM   3482  CE2 TRP B 636      21.069   8.809  -1.414  1.00 97.65           C  
+ATOM   3483  CE3 TRP B 636      23.342   9.635  -1.250  1.00 97.65           C  
+ATOM   3484  NE1 TRP B 636      20.185   8.458  -2.398  1.00 97.65           N  
+ATOM   3485  CH2 TRP B 636      21.992   9.211   0.728  1.00 97.65           C  
+ATOM   3486  CZ2 TRP B 636      20.922   8.801  -0.025  1.00 97.65           C  
+ATOM   3487  CZ3 TRP B 636      23.194   9.626   0.132  1.00 97.65           C  
+ATOM   3488  N   ASP B 637      24.955  11.521  -6.044  1.00 96.09           N  
+ATOM   3489  CA  ASP B 637      26.111  11.308  -6.910  1.00 96.09           C  
+ATOM   3490  C   ASP B 637      26.926  10.101  -6.451  1.00 96.09           C  
+ATOM   3491  CB  ASP B 637      26.993  12.557  -6.945  1.00 96.09           C  
+ATOM   3492  O   ASP B 637      27.593  10.154  -5.416  1.00 96.09           O  
+ATOM   3493  CG  ASP B 637      28.091  12.479  -7.992  1.00 96.09           C  
+ATOM   3494  OD1 ASP B 637      28.664  11.387  -8.194  1.00 96.09           O  
+ATOM   3495  OD2 ASP B 637      28.387  13.520  -8.618  1.00 96.09           O  
+ATOM   3496  N   SER B 638      26.921   9.082  -7.278  1.00 95.45           N  
+ATOM   3497  CA  SER B 638      27.451   7.786  -6.867  1.00 95.45           C  
+ATOM   3498  C   SER B 638      28.974   7.814  -6.781  1.00 95.45           C  
+ATOM   3499  CB  SER B 638      27.008   6.693  -7.839  1.00 95.45           C  
+ATOM   3500  O   SER B 638      29.576   7.001  -6.077  1.00 95.45           O  
+ATOM   3501  OG  SER B 638      27.546   6.918  -9.130  1.00 95.45           O  
+ATOM   3502  N   TYR B 639      29.668   8.759  -7.449  1.00 92.58           N  
+ATOM   3503  CA  TYR B 639      31.125   8.830  -7.458  1.00 92.58           C  
+ATOM   3504  C   TYR B 639      31.642   9.576  -6.234  1.00 92.58           C  
+ATOM   3505  CB  TYR B 639      31.622   9.515  -8.735  1.00 92.58           C  
+ATOM   3506  O   TYR B 639      32.584   9.127  -5.578  1.00 92.58           O  
+ATOM   3507  CG  TYR B 639      31.538   8.642  -9.964  1.00 92.58           C  
+ATOM   3508  CD1 TYR B 639      32.570   7.766 -10.292  1.00 92.58           C  
+ATOM   3509  CD2 TYR B 639      30.428   8.693 -10.800  1.00 92.58           C  
+ATOM   3510  CE1 TYR B 639      32.498   6.962 -11.424  1.00 92.58           C  
+ATOM   3511  CE2 TYR B 639      30.345   7.893 -11.935  1.00 92.58           C  
+ATOM   3512  OH  TYR B 639      31.307   6.237 -13.360  1.00 92.58           O  
+ATOM   3513  CZ  TYR B 639      31.383   7.032 -12.238  1.00 92.58           C  
+ATOM   3514  N   THR B 640      30.921  10.633  -5.914  1.00 93.77           N  
+ATOM   3515  CA  THR B 640      31.412  11.488  -4.838  1.00 93.77           C  
+ATOM   3516  C   THR B 640      30.674  11.195  -3.535  1.00 93.77           C  
+ATOM   3517  CB  THR B 640      31.258  12.978  -5.195  1.00 93.77           C  
+ATOM   3518  O   THR B 640      31.091  11.644  -2.465  1.00 93.77           O  
+ATOM   3519  CG2 THR B 640      32.012  13.318  -6.476  1.00 93.77           C  
+ATOM   3520  OG1 THR B 640      29.869  13.278  -5.377  1.00 93.77           O  
+ATOM   3521  N   THR B 641      29.516  10.530  -3.640  1.00 94.98           N  
+ATOM   3522  CA  THR B 641      28.644  10.171  -2.527  1.00 94.98           C  
+ATOM   3523  C   THR B 641      27.890  11.395  -2.014  1.00 94.98           C  
+ATOM   3524  CB  THR B 641      29.442   9.536  -1.374  1.00 94.98           C  
+ATOM   3525  O   THR B 641      27.239  11.337  -0.969  1.00 94.98           O  
+ATOM   3526  CG2 THR B 641      30.246   8.334  -1.858  1.00 94.98           C  
+ATOM   3527  OG1 THR B 641      30.340  10.510  -0.828  1.00 94.98           O  
+ATOM   3528  N   ASN B 642      28.027  12.448  -2.801  1.00 94.69           N  
+ATOM   3529  CA  ASN B 642      27.325  13.672  -2.430  1.00 94.69           C  
+ATOM   3530  C   ASN B 642      25.819  13.542  -2.645  1.00 94.69           C  
+ATOM   3531  CB  ASN B 642      27.873  14.865  -3.216  1.00 94.69           C  
+ATOM   3532  O   ASN B 642      25.378  12.886  -3.590  1.00 94.69           O  
+ATOM   3533  CG  ASN B 642      29.290  15.226  -2.817  1.00 94.69           C  
+ATOM   3534  ND2 ASN B 642      30.003  15.903  -3.709  1.00 94.69           N  
+ATOM   3535  OD1 ASN B 642      29.740  14.899  -1.716  1.00 94.69           O  
+ATOM   3536  N   LYS B 643      25.090  14.161  -1.701  1.00 94.49           N  
+ATOM   3537  CA  LYS B 643      23.652  14.320  -1.902  1.00 94.49           C  
+ATOM   3538  C   LYS B 643      23.349  15.559  -2.740  1.00 94.49           C  
+ATOM   3539  CB  LYS B 643      22.928  14.407  -0.558  1.00 94.49           C  
+ATOM   3540  O   LYS B 643      23.677  16.679  -2.344  1.00 94.49           O  
+ATOM   3541  CG  LYS B 643      23.130  13.190   0.334  1.00 94.49           C  
+ATOM   3542  CD  LYS B 643      22.694  13.469   1.766  1.00 94.49           C  
+ATOM   3543  CE  LYS B 643      23.284  12.455   2.738  1.00 94.49           C  
+ATOM   3544  NZ  LYS B 643      24.721  12.739   3.030  1.00 94.49           N  
+ATOM   3545  N   VAL B 644      22.740  15.240  -3.922  1.00 93.56           N  
+ATOM   3546  CA  VAL B 644      22.458  16.347  -4.830  1.00 93.56           C  
+ATOM   3547  C   VAL B 644      21.160  17.037  -4.417  1.00 93.56           C  
+ATOM   3548  CB  VAL B 644      22.363  15.868  -6.296  1.00 93.56           C  
+ATOM   3549  O   VAL B 644      21.085  18.268  -4.390  1.00 93.56           O  
+ATOM   3550  CG1 VAL B 644      22.046  17.037  -7.227  1.00 93.56           C  
+ATOM   3551  CG2 VAL B 644      23.661  15.182  -6.718  1.00 93.56           C  
+ATOM   3552  N   HIS B 645      20.158  16.260  -4.099  1.00 93.49           N  
+ATOM   3553  CA  HIS B 645      18.868  16.729  -3.606  1.00 93.49           C  
+ATOM   3554  C   HIS B 645      18.350  15.836  -2.483  1.00 93.49           C  
+ATOM   3555  CB  HIS B 645      17.847  16.786  -4.744  1.00 93.49           C  
+ATOM   3556  O   HIS B 645      18.616  14.632  -2.468  1.00 93.49           O  
+ATOM   3557  CG  HIS B 645      18.189  17.780  -5.807  1.00 93.49           C  
+ATOM   3558  CD2 HIS B 645      18.591  17.608  -7.089  1.00 93.49           C  
+ATOM   3559  ND1 HIS B 645      18.138  19.141  -5.598  1.00 93.49           N  
+ATOM   3560  CE1 HIS B 645      18.493  19.765  -6.709  1.00 93.49           C  
+ATOM   3561  NE2 HIS B 645      18.773  18.858  -7.628  1.00 93.49           N  
+ATOM   3562  N   ALA B 646      17.670  16.442  -1.563  1.00 94.10           N  
+ATOM   3563  CA  ALA B 646      16.840  15.745  -0.583  1.00 94.10           C  
+ATOM   3564  C   ALA B 646      15.415  16.292  -0.584  1.00 94.10           C  
+ATOM   3565  CB  ALA B 646      17.451  15.862   0.811  1.00 94.10           C  
+ATOM   3566  O   ALA B 646      15.167  17.394  -0.089  1.00 94.10           O  
+ATOM   3567  N   ILE B 647      14.563  15.483  -1.139  1.00 93.95           N  
+ATOM   3568  CA  ILE B 647      13.203  15.948  -1.387  1.00 93.95           C  
+ATOM   3569  C   ILE B 647      12.255  15.340  -0.355  1.00 93.95           C  
+ATOM   3570  CB  ILE B 647      12.736  15.595  -2.817  1.00 93.95           C  
+ATOM   3571  O   ILE B 647      12.103  14.118  -0.287  1.00 93.95           O  
+ATOM   3572  CG1 ILE B 647      13.747  16.107  -3.850  1.00 93.95           C  
+ATOM   3573  CG2 ILE B 647      11.341  16.167  -3.086  1.00 93.95           C  
+ATOM   3574  CD1 ILE B 647      13.560  15.521  -5.242  1.00 93.95           C  
+ATOM   3575  N   PRO B 648      11.594  16.182   0.451  1.00 91.13           N  
+ATOM   3576  CA  PRO B 648      10.597  15.650   1.382  1.00 91.13           C  
+ATOM   3577  C   PRO B 648       9.331  15.166   0.679  1.00 91.13           C  
+ATOM   3578  CB  PRO B 648      10.294  16.843   2.292  1.00 91.13           C  
+ATOM   3579  O   PRO B 648       8.849  15.818  -0.250  1.00 91.13           O  
+ATOM   3580  CG  PRO B 648      10.648  18.045   1.478  1.00 91.13           C  
+ATOM   3581  CD  PRO B 648      11.720  17.659   0.499  1.00 91.13           C  
+ATOM   3582  N   LEU B 649       8.897  14.031   1.139  1.00 88.99           N  
+ATOM   3583  CA  LEU B 649       7.701  13.442   0.547  1.00 88.99           C  
+ATOM   3584  C   LEU B 649       6.463  13.782   1.371  1.00 88.99           C  
+ATOM   3585  CB  LEU B 649       7.851  11.922   0.434  1.00 88.99           C  
+ATOM   3586  O   LEU B 649       6.561  14.014   2.578  1.00 88.99           O  
+ATOM   3587  CG  LEU B 649       9.053  11.418  -0.367  1.00 88.99           C  
+ATOM   3588  CD1 LEU B 649       9.188   9.906  -0.223  1.00 88.99           C  
+ATOM   3589  CD2 LEU B 649       8.921  11.811  -1.834  1.00 88.99           C  
+ATOM   3590  N   ARG B 650       5.337  13.801   0.800  1.00 75.85           N  
+ATOM   3591  CA  ARG B 650       4.064  14.014   1.482  1.00 75.85           C  
+ATOM   3592  C   ARG B 650       3.742  12.853   2.417  1.00 75.85           C  
+ATOM   3593  CB  ARG B 650       2.934  14.197   0.467  1.00 75.85           C  
+ATOM   3594  O   ARG B 650       3.259  13.062   3.532  1.00 75.85           O  
+ATOM   3595  CG  ARG B 650       1.626  14.673   1.079  1.00 75.85           C  
+ATOM   3596  CD  ARG B 650       0.501  14.703   0.054  1.00 75.85           C  
+ATOM   3597  NE  ARG B 650      -0.611  15.537   0.500  1.00 75.85           N  
+ATOM   3598  NH1 ARG B 650      -2.256  14.179  -0.388  1.00 75.85           N  
+ATOM   3599  NH2 ARG B 650      -2.827  16.098   0.729  1.00 75.85           N  
+ATOM   3600  CZ  ARG B 650      -1.895  15.269   0.279  1.00 75.85           C  
+ATOM   3601  N   SER B 651       4.023  11.654   1.805  1.00 80.46           N  
+ATOM   3602  CA  SER B 651       3.804  10.433   2.575  1.00 80.46           C  
+ATOM   3603  C   SER B 651       5.106   9.664   2.773  1.00 80.46           C  
+ATOM   3604  CB  SER B 651       2.774   9.540   1.882  1.00 80.46           C  
+ATOM   3605  O   SER B 651       5.895   9.518   1.837  1.00 80.46           O  
+ATOM   3606  OG  SER B 651       2.666   8.291   2.545  1.00 80.46           O  
+ATOM   3607  N   SER B 652       5.339   9.283   3.989  1.00 79.54           N  
+ATOM   3608  CA  SER B 652       6.550   8.535   4.311  1.00 79.54           C  
+ATOM   3609  C   SER B 652       6.456   7.093   3.822  1.00 79.54           C  
+ATOM   3610  CB  SER B 652       6.807   8.554   5.819  1.00 79.54           C  
+ATOM   3611  O   SER B 652       7.465   6.390   3.748  1.00 79.54           O  
+ATOM   3612  OG  SER B 652       5.682   8.064   6.527  1.00 79.54           O  
+ATOM   3613  N   TRP B 653       5.315   6.693   3.355  1.00 81.73           N  
+ATOM   3614  CA  TRP B 653       5.113   5.298   2.978  1.00 81.73           C  
+ATOM   3615  C   TRP B 653       5.314   5.105   1.478  1.00 81.73           C  
+ATOM   3616  CB  TRP B 653       3.712   4.828   3.382  1.00 81.73           C  
+ATOM   3617  O   TRP B 653       4.347   4.929   0.733  1.00 81.73           O  
+ATOM   3618  CG  TRP B 653       3.421   4.971   4.845  1.00 81.73           C  
+ATOM   3619  CD1 TRP B 653       2.618   5.905   5.438  1.00 81.73           C  
+ATOM   3620  CD2 TRP B 653       3.936   4.155   5.902  1.00 81.73           C  
+ATOM   3621  CE2 TRP B 653       3.401   4.652   7.112  1.00 81.73           C  
+ATOM   3622  CE3 TRP B 653       4.797   3.051   5.944  1.00 81.73           C  
+ATOM   3623  NE1 TRP B 653       2.602   5.718   6.801  1.00 81.73           N  
+ATOM   3624  CH2 TRP B 653       4.546   3.001   8.363  1.00 81.73           C  
+ATOM   3625  CZ2 TRP B 653       3.701   4.080   8.351  1.00 81.73           C  
+ATOM   3626  CZ3 TRP B 653       5.094   2.483   7.178  1.00 81.73           C  
+ATOM   3627  N   VAL B 654       6.539   5.168   1.129  1.00 91.50           N  
+ATOM   3628  CA  VAL B 654       6.954   5.108  -0.269  1.00 91.50           C  
+ATOM   3629  C   VAL B 654       7.365   3.682  -0.626  1.00 91.50           C  
+ATOM   3630  CB  VAL B 654       8.116   6.085  -0.558  1.00 91.50           C  
+ATOM   3631  O   VAL B 654       7.953   2.974   0.195  1.00 91.50           O  
+ATOM   3632  CG1 VAL B 654       9.352   5.710   0.258  1.00 91.50           C  
+ATOM   3633  CG2 VAL B 654       8.441   6.100  -2.050  1.00 91.50           C  
+ATOM   3634  N   MET B 655       6.982   3.274  -1.826  1.00 93.35           N  
+ATOM   3635  CA  MET B 655       7.293   1.906  -2.230  1.00 93.35           C  
+ATOM   3636  C   MET B 655       8.127   1.893  -3.507  1.00 93.35           C  
+ATOM   3637  CB  MET B 655       6.010   1.100  -2.434  1.00 93.35           C  
+ATOM   3638  O   MET B 655       8.778   0.894  -3.817  1.00 93.35           O  
+ATOM   3639  CG  MET B 655       5.238   0.839  -1.151  1.00 93.35           C  
+ATOM   3640  SD  MET B 655       3.868  -0.358  -1.385  1.00 93.35           S  
+ATOM   3641  CE  MET B 655       4.816  -1.883  -1.645  1.00 93.35           C  
+ATOM   3642  N   THR B 656       8.098   2.982  -4.230  1.00 97.27           N  
+ATOM   3643  CA  THR B 656       8.781   3.005  -5.518  1.00 97.27           C  
+ATOM   3644  C   THR B 656       9.249   4.418  -5.858  1.00 97.27           C  
+ATOM   3645  CB  THR B 656       7.871   2.478  -6.643  1.00 97.27           C  
+ATOM   3646  O   THR B 656       8.691   5.398  -5.361  1.00 97.27           O  
+ATOM   3647  CG2 THR B 656       6.712   3.434  -6.905  1.00 97.27           C  
+ATOM   3648  OG1 THR B 656       8.639   2.335  -7.844  1.00 97.27           O  
+ATOM   3649  N   CYS B 657      10.259   4.527  -6.672  1.00 98.03           N  
+ATOM   3650  CA  CYS B 657      10.726   5.781  -7.252  1.00 98.03           C  
+ATOM   3651  C   CYS B 657      11.284   5.560  -8.653  1.00 98.03           C  
+ATOM   3652  CB  CYS B 657      11.793   6.419  -6.363  1.00 98.03           C  
+ATOM   3653  O   CYS B 657      11.635   4.435  -9.015  1.00 98.03           O  
+ATOM   3654  SG  CYS B 657      13.303   5.439  -6.221  1.00 98.03           S  
+ATOM   3655  N   ALA B 658      11.263   6.601  -9.425  1.00 98.27           N  
+ATOM   3656  CA  ALA B 658      11.763   6.492 -10.793  1.00 98.27           C  
+ATOM   3657  C   ALA B 658      12.433   7.789 -11.236  1.00 98.27           C  
+ATOM   3658  CB  ALA B 658      10.627   6.131 -11.747  1.00 98.27           C  
+ATOM   3659  O   ALA B 658      12.027   8.878 -10.823  1.00 98.27           O  
+ATOM   3660  N   TYR B 659      13.450   7.588 -12.060  1.00 97.47           N  
+ATOM   3661  CA  TYR B 659      14.193   8.693 -12.654  1.00 97.47           C  
+ATOM   3662  C   TYR B 659      13.827   8.869 -14.123  1.00 97.47           C  
+ATOM   3663  CB  TYR B 659      15.701   8.463 -12.515  1.00 97.47           C  
+ATOM   3664  O   TYR B 659      13.941   7.929 -14.914  1.00 97.47           O  
+ATOM   3665  CG  TYR B 659      16.477   9.712 -12.175  1.00 97.47           C  
+ATOM   3666  CD1 TYR B 659      16.477  10.810 -13.032  1.00 97.47           C  
+ATOM   3667  CD2 TYR B 659      17.211   9.797 -10.997  1.00 97.47           C  
+ATOM   3668  CE1 TYR B 659      17.192  11.963 -12.724  1.00 97.47           C  
+ATOM   3669  CE2 TYR B 659      17.930  10.945 -10.679  1.00 97.47           C  
+ATOM   3670  OH  TYR B 659      18.623  13.159 -11.236  1.00 97.47           O  
+ATOM   3671  CZ  TYR B 659      17.914  12.021 -11.547  1.00 97.47           C  
+ATOM   3672  N   ALA B 660      13.430  10.080 -14.467  1.00 96.88           N  
+ATOM   3673  CA  ALA B 660      13.058  10.334 -15.856  1.00 96.88           C  
+ATOM   3674  C   ALA B 660      14.283  10.309 -16.766  1.00 96.88           C  
+ATOM   3675  CB  ALA B 660      12.337  11.674 -15.977  1.00 96.88           C  
+ATOM   3676  O   ALA B 660      15.381  10.683 -16.348  1.00 96.88           O  
+ATOM   3677  N   PRO B 661      14.125   9.942 -18.014  1.00 95.15           N  
+ATOM   3678  CA  PRO B 661      15.247   9.840 -18.950  1.00 95.15           C  
+ATOM   3679  C   PRO B 661      15.953  11.176 -19.173  1.00 95.15           C  
+ATOM   3680  CB  PRO B 661      14.587   9.349 -20.240  1.00 95.15           C  
+ATOM   3681  O   PRO B 661      17.165  11.208 -19.398  1.00 95.15           O  
+ATOM   3682  CG  PRO B 661      13.331   8.672 -19.794  1.00 95.15           C  
+ATOM   3683  CD  PRO B 661      12.867   9.321 -18.521  1.00 95.15           C  
+ATOM   3684  N   SER B 662      15.241  12.222 -19.110  1.00 94.33           N  
+ATOM   3685  CA  SER B 662      15.827  13.545 -19.295  1.00 94.33           C  
+ATOM   3686  C   SER B 662      16.758  13.905 -18.142  1.00 94.33           C  
+ATOM   3687  CB  SER B 662      14.731  14.604 -19.425  1.00 94.33           C  
+ATOM   3688  O   SER B 662      17.629  14.765 -18.285  1.00 94.33           O  
+ATOM   3689  OG  SER B 662      14.011  14.734 -18.211  1.00 94.33           O  
+ATOM   3690  N   GLY B 663      16.465  13.267 -16.999  1.00 92.50           N  
+ATOM   3691  CA  GLY B 663      17.189  13.594 -15.780  1.00 92.50           C  
+ATOM   3692  C   GLY B 663      16.608  14.785 -15.042  1.00 92.50           C  
+ATOM   3693  O   GLY B 663      17.137  15.200 -14.009  1.00 92.50           O  
+ATOM   3694  N   ASN B 664      15.468  15.244 -15.514  1.00 93.04           N  
+ATOM   3695  CA  ASN B 664      14.883  16.466 -14.973  1.00 93.04           C  
+ATOM   3696  C   ASN B 664      13.782  16.160 -13.962  1.00 93.04           C  
+ATOM   3697  CB  ASN B 664      14.338  17.346 -16.101  1.00 93.04           C  
+ATOM   3698  O   ASN B 664      13.405  17.024 -13.168  1.00 93.04           O  
+ATOM   3699  CG  ASN B 664      15.433  17.893 -16.996  1.00 93.04           C  
+ATOM   3700  ND2 ASN B 664      15.102  18.132 -18.259  1.00 93.04           N  
+ATOM   3701  OD1 ASN B 664      16.567  18.098 -16.555  1.00 93.04           O  
+ATOM   3702  N   TYR B 665      13.266  14.957 -14.031  1.00 96.60           N  
+ATOM   3703  CA  TYR B 665      12.141  14.606 -13.172  1.00 96.60           C  
+ATOM   3704  C   TYR B 665      12.427  13.327 -12.395  1.00 96.60           C  
+ATOM   3705  CB  TYR B 665      10.863  14.440 -13.999  1.00 96.60           C  
+ATOM   3706  O   TYR B 665      13.159  12.455 -12.870  1.00 96.60           O  
+ATOM   3707  CG  TYR B 665      10.462  15.684 -14.754  1.00 96.60           C  
+ATOM   3708  CD1 TYR B 665       9.751  16.704 -14.125  1.00 96.60           C  
+ATOM   3709  CD2 TYR B 665      10.792  15.842 -16.095  1.00 96.60           C  
+ATOM   3710  CE1 TYR B 665       9.377  17.852 -14.817  1.00 96.60           C  
+ATOM   3711  CE2 TYR B 665      10.424  16.985 -16.797  1.00 96.60           C  
+ATOM   3712  OH  TYR B 665       9.351  19.117 -16.840  1.00 96.60           O  
+ATOM   3713  CZ  TYR B 665       9.718  17.983 -16.150  1.00 96.60           C  
+ATOM   3714  N   VAL B 666      11.840  13.307 -11.219  1.00 97.87           N  
+ATOM   3715  CA  VAL B 666      11.771  12.060 -10.465  1.00 97.87           C  
+ATOM   3716  C   VAL B 666      10.341  11.824  -9.985  1.00 97.87           C  
+ATOM   3717  CB  VAL B 666      12.742  12.069  -9.263  1.00 97.87           C  
+ATOM   3718  O   VAL B 666       9.564  12.771  -9.841  1.00 97.87           O  
+ATOM   3719  CG1 VAL B 666      14.193  12.101  -9.741  1.00 97.87           C  
+ATOM   3720  CG2 VAL B 666      12.451  13.260  -8.352  1.00 97.87           C  
+ATOM   3721  N   ALA B 667      10.059  10.553  -9.856  1.00 98.06           N  
+ATOM   3722  CA  ALA B 667       8.717  10.192  -9.405  1.00 98.06           C  
+ATOM   3723  C   ALA B 667       8.776   9.247  -8.208  1.00 98.06           C  
+ATOM   3724  CB  ALA B 667       7.927   9.554 -10.545  1.00 98.06           C  
+ATOM   3725  O   ALA B 667       9.771   8.545  -8.013  1.00 98.06           O  
+ATOM   3726  N   CYS B 668       7.679   9.302  -7.398  1.00 97.50           N  
+ATOM   3727  CA  CYS B 668       7.526   8.360  -6.295  1.00 97.50           C  
+ATOM   3728  C   CYS B 668       6.065   7.963  -6.116  1.00 97.50           C  
+ATOM   3729  CB  CYS B 668       8.063   8.962  -4.997  1.00 97.50           C  
+ATOM   3730  O   CYS B 668       5.167   8.649  -6.607  1.00 97.50           O  
+ATOM   3731  SG  CYS B 668       7.064  10.326  -4.359  1.00 97.50           S  
+ATOM   3732  N   GLY B 669       5.926   6.817  -5.522  1.00 95.59           N  
+ATOM   3733  CA  GLY B 669       4.613   6.282  -5.198  1.00 95.59           C  
+ATOM   3734  C   GLY B 669       4.638   5.300  -4.042  1.00 95.59           C  
+ATOM   3735  O   GLY B 669       5.695   4.768  -3.695  1.00 95.59           O  
+ATOM   3736  N   GLY B 670       3.405   5.136  -3.454  1.00 94.14           N  
+ATOM   3737  CA  GLY B 670       3.397   4.219  -2.326  1.00 94.14           C  
+ATOM   3738  C   GLY B 670       2.002   3.918  -1.811  1.00 94.14           C  
+ATOM   3739  O   GLY B 670       1.086   3.663  -2.597  1.00 94.14           O  
+ATOM   3740  N   LEU B 671       1.808   3.952  -0.510  1.00 87.17           N  
+ATOM   3741  CA  LEU B 671       0.599   3.459   0.140  1.00 87.17           C  
+ATOM   3742  C   LEU B 671      -0.489   4.529   0.148  1.00 87.17           C  
+ATOM   3743  CB  LEU B 671       0.904   3.014   1.573  1.00 87.17           C  
+ATOM   3744  O   LEU B 671      -1.633   4.254   0.519  1.00 87.17           O  
+ATOM   3745  CG  LEU B 671       1.739   1.742   1.724  1.00 87.17           C  
+ATOM   3746  CD1 LEU B 671       2.004   1.454   3.198  1.00 87.17           C  
+ATOM   3747  CD2 LEU B 671       1.040   0.561   1.060  1.00 87.17           C  
+ATOM   3748  N   ASP B 672      -0.135   5.663  -0.324  1.00 85.36           N  
+ATOM   3749  CA  ASP B 672      -1.143   6.717  -0.373  1.00 85.36           C  
+ATOM   3750  C   ASP B 672      -1.873   6.717  -1.714  1.00 85.36           C  
+ATOM   3751  CB  ASP B 672      -0.504   8.084  -0.122  1.00 85.36           C  
+ATOM   3752  O   ASP B 672      -2.647   7.632  -2.006  1.00 85.36           O  
+ATOM   3753  CG  ASP B 672       0.581   8.426  -1.129  1.00 85.36           C  
+ATOM   3754  OD1 ASP B 672       0.905   7.577  -1.987  1.00 85.36           O  
+ATOM   3755  OD2 ASP B 672       1.118   9.552  -1.061  1.00 85.36           O  
+ATOM   3756  N   ASN B 673      -1.542   5.837  -2.567  1.00 90.93           N  
+ATOM   3757  CA  ASN B 673      -2.176   5.584  -3.856  1.00 90.93           C  
+ATOM   3758  C   ASN B 673      -1.900   6.713  -4.846  1.00 90.93           C  
+ATOM   3759  CB  ASN B 673      -3.683   5.385  -3.684  1.00 90.93           C  
+ATOM   3760  O   ASN B 673      -2.591   6.837  -5.859  1.00 90.93           O  
+ATOM   3761  CG  ASN B 673      -4.017   4.295  -2.685  1.00 90.93           C  
+ATOM   3762  ND2 ASN B 673      -5.262   4.274  -2.225  1.00 90.93           N  
+ATOM   3763  OD1 ASN B 673      -3.163   3.479  -2.329  1.00 90.93           O  
+ATOM   3764  N   ILE B 674      -0.988   7.550  -4.555  1.00 92.99           N  
+ATOM   3765  CA  ILE B 674      -0.699   8.702  -5.402  1.00 92.99           C  
+ATOM   3766  C   ILE B 674       0.709   8.576  -5.980  1.00 92.99           C  
+ATOM   3767  CB  ILE B 674      -0.841  10.027  -4.621  1.00 92.99           C  
+ATOM   3768  O   ILE B 674       1.647   8.203  -5.272  1.00 92.99           O  
+ATOM   3769  CG1 ILE B 674      -2.270  10.182  -4.087  1.00 92.99           C  
+ATOM   3770  CG2 ILE B 674      -0.453  11.218  -5.502  1.00 92.99           C  
+ATOM   3771  CD1 ILE B 674      -2.453  11.360  -3.140  1.00 92.99           C  
+ATOM   3772  N   CYS B 675       0.818   8.839  -7.279  1.00 96.75           N  
+ATOM   3773  CA  CYS B 675       2.125   8.996  -7.909  1.00 96.75           C  
+ATOM   3774  C   CYS B 675       2.506  10.468  -8.015  1.00 96.75           C  
+ATOM   3775  CB  CYS B 675       2.130   8.357  -9.298  1.00 96.75           C  
+ATOM   3776  O   CYS B 675       1.836  11.239  -8.704  1.00 96.75           O  
+ATOM   3777  SG  CYS B 675       3.724   8.465 -10.142  1.00 96.75           S  
+ATOM   3778  N   SER B 676       3.578  10.828  -7.398  1.00 96.88           N  
+ATOM   3779  CA  SER B 676       4.025  12.217  -7.366  1.00 96.88           C  
+ATOM   3780  C   SER B 676       5.243  12.427  -8.259  1.00 96.88           C  
+ATOM   3781  CB  SER B 676       4.354  12.641  -5.934  1.00 96.88           C  
+ATOM   3782  O   SER B 676       6.199  11.651  -8.206  1.00 96.88           O  
+ATOM   3783  OG  SER B 676       3.213  12.525  -5.100  1.00 96.88           O  
+ATOM   3784  N   ILE B 677       5.179  13.490  -9.035  1.00 97.16           N  
+ATOM   3785  CA  ILE B 677       6.264  13.837  -9.946  1.00 97.16           C  
+ATOM   3786  C   ILE B 677       6.945  15.120  -9.474  1.00 97.16           C  
+ATOM   3787  CB  ILE B 677       5.753  14.004 -11.395  1.00 97.16           C  
+ATOM   3788  O   ILE B 677       6.278  16.121  -9.204  1.00 97.16           O  
+ATOM   3789  CG1 ILE B 677       4.917  12.788 -11.810  1.00 97.16           C  
+ATOM   3790  CG2 ILE B 677       6.924  14.218 -12.359  1.00 97.16           C  
+ATOM   3791  CD1 ILE B 677       5.720  11.501 -11.944  1.00 97.16           C  
+ATOM   3792  N   TYR B 678       8.270  15.034  -9.422  1.00 95.76           N  
+ATOM   3793  CA  TYR B 678       9.049  16.178  -8.959  1.00 95.76           C  
+ATOM   3794  C   TYR B 678       9.955  16.704 -10.066  1.00 95.76           C  
+ATOM   3795  CB  TYR B 678       9.886  15.799  -7.734  1.00 95.76           C  
+ATOM   3796  O   TYR B 678      10.596  15.924 -10.774  1.00 95.76           O  
+ATOM   3797  CG  TYR B 678       9.062  15.359  -6.548  1.00 95.76           C  
+ATOM   3798  CD1 TYR B 678       8.725  16.256  -5.538  1.00 95.76           C  
+ATOM   3799  CD2 TYR B 678       8.619  14.045  -6.436  1.00 95.76           C  
+ATOM   3800  CE1 TYR B 678       7.967  15.855  -4.442  1.00 95.76           C  
+ATOM   3801  CE2 TYR B 678       7.861  13.632  -5.345  1.00 95.76           C  
+ATOM   3802  OH  TYR B 678       6.791  14.140  -3.273  1.00 95.76           O  
+ATOM   3803  CZ  TYR B 678       7.541  14.543  -4.355  1.00 95.76           C  
+ATOM   3804  N   ASN B 679      10.000  18.006 -10.112  1.00 93.59           N  
+ATOM   3805  CA  ASN B 679      10.904  18.673 -11.044  1.00 93.59           C  
+ATOM   3806  C   ASN B 679      12.219  19.056 -10.371  1.00 93.59           C  
+ATOM   3807  CB  ASN B 679      10.236  19.910 -11.647  1.00 93.59           C  
+ATOM   3808  O   ASN B 679      12.233  19.861  -9.438  1.00 93.59           O  
+ATOM   3809  CG  ASN B 679      11.019  20.487 -12.810  1.00 93.59           C  
+ATOM   3810  ND2 ASN B 679      10.345  21.263 -13.651  1.00 93.59           N  
+ATOM   3811  OD1 ASN B 679      12.219  20.238 -12.952  1.00 93.59           O  
+ATOM   3812  N   LEU B 680      13.348  18.437 -10.903  1.00 91.02           N  
+ATOM   3813  CA  LEU B 680      14.644  18.644 -10.268  1.00 91.02           C  
+ATOM   3814  C   LEU B 680      15.278  19.949 -10.737  1.00 91.02           C  
+ATOM   3815  CB  LEU B 680      15.582  17.471 -10.568  1.00 91.02           C  
+ATOM   3816  O   LEU B 680      16.139  20.507 -10.053  1.00 91.02           O  
+ATOM   3817  CG  LEU B 680      15.151  16.104 -10.033  1.00 91.02           C  
+ATOM   3818  CD1 LEU B 680      16.128  15.025 -10.487  1.00 91.02           C  
+ATOM   3819  CD2 LEU B 680      15.048  16.134  -8.512  1.00 91.02           C  
+ATOM   3820  N   LYS B 681      14.958  20.475 -11.915  1.00 81.50           N  
+ATOM   3821  CA  LYS B 681      15.555  21.692 -12.457  1.00 81.50           C  
+ATOM   3822  C   LYS B 681      14.524  22.812 -12.558  1.00 81.50           C  
+ATOM   3823  CB  LYS B 681      16.171  21.422 -13.830  1.00 81.50           C  
+ATOM   3824  O   LYS B 681      13.617  22.755 -13.392  1.00 81.50           O  
+ATOM   3825  CG  LYS B 681      17.434  20.574 -13.786  1.00 81.50           C  
+ATOM   3826  CD  LYS B 681      18.120  20.522 -15.145  1.00 81.50           C  
+ATOM   3827  CE  LYS B 681      19.408  19.710 -15.091  1.00 81.50           C  
+ATOM   3828  NZ  LYS B 681      20.082  19.653 -16.422  1.00 81.50           N  
+ATOM   3829  N   THR B 682      14.368  23.602 -11.466  1.00 67.66           N  
+ATOM   3830  CA  THR B 682      13.475  24.751 -11.569  1.00 67.66           C  
+ATOM   3831  C   THR B 682      14.273  26.046 -11.698  1.00 67.66           C  
+ATOM   3832  CB  THR B 682      12.538  24.842 -10.351  1.00 67.66           C  
+ATOM   3833  O   THR B 682      15.480  26.065 -11.445  1.00 67.66           O  
+ATOM   3834  CG2 THR B 682      11.664  23.597 -10.236  1.00 67.66           C  
+ATOM   3835  OG1 THR B 682      13.323  24.973  -9.160  1.00 67.66           O  
+ATOM   3836  N   ARG B 683      13.630  27.069 -12.317  1.00 62.83           N  
+ATOM   3837  CA  ARG B 683      14.253  28.374 -12.508  1.00 62.83           C  
+ATOM   3838  C   ARG B 683      14.801  28.917 -11.192  1.00 62.83           C  
+ATOM   3839  CB  ARG B 683      13.254  29.365 -13.107  1.00 62.83           C  
+ATOM   3840  O   ARG B 683      15.890  29.494 -11.158  1.00 62.83           O  
+ATOM   3841  CG  ARG B 683      13.078  29.229 -14.612  1.00 62.83           C  
+ATOM   3842  CD  ARG B 683      12.196  30.333 -15.179  1.00 62.83           C  
+ATOM   3843  NE  ARG B 683      11.979  30.165 -16.613  1.00 62.83           N  
+ATOM   3844  NH1 ARG B 683      10.739  32.099 -16.860  1.00 62.83           N  
+ATOM   3845  NH2 ARG B 683      11.156  30.760 -18.673  1.00 62.83           N  
+ATOM   3846  CZ  ARG B 683      11.292  31.009 -17.379  1.00 62.83           C  
+ATOM   3847  N   GLU B 684      14.107  28.573 -10.041  1.00 65.25           N  
+ATOM   3848  CA  GLU B 684      14.413  29.114  -8.719  1.00 65.25           C  
+ATOM   3849  C   GLU B 684      15.404  28.224  -7.975  1.00 65.25           C  
+ATOM   3850  CB  GLU B 684      13.133  29.277  -7.896  1.00 65.25           C  
+ATOM   3851  O   GLU B 684      15.943  28.617  -6.939  1.00 65.25           O  
+ATOM   3852  CG  GLU B 684      12.192  30.348  -8.429  1.00 65.25           C  
+ATOM   3853  CD  GLU B 684      10.970  30.565  -7.550  1.00 65.25           C  
+ATOM   3854  OE1 GLU B 684      10.149  31.457  -7.861  1.00 65.25           O  
+ATOM   3855  OE2 GLU B 684      10.833  29.837  -6.541  1.00 65.25           O  
+ATOM   3856  N   GLY B 685      15.719  27.000  -8.604  1.00 68.93           N  
+ATOM   3857  CA  GLY B 685      16.672  26.069  -8.020  1.00 68.93           C  
+ATOM   3858  C   GLY B 685      16.053  25.158  -6.977  1.00 68.93           C  
+ATOM   3859  O   GLY B 685      16.713  24.249  -6.468  1.00 68.93           O  
+ATOM   3860  N   ASN B 686      14.735  25.421  -6.537  1.00 74.79           N  
+ATOM   3861  CA  ASN B 686      14.116  24.541  -5.553  1.00 74.79           C  
+ATOM   3862  C   ASN B 686      13.289  23.446  -6.222  1.00 74.79           C  
+ATOM   3863  CB  ASN B 686      13.246  25.345  -4.584  1.00 74.79           C  
+ATOM   3864  O   ASN B 686      12.747  23.649  -7.309  1.00 74.79           O  
+ATOM   3865  CG  ASN B 686      14.039  26.377  -3.807  1.00 74.79           C  
+ATOM   3866  ND2 ASN B 686      13.361  27.418  -3.339  1.00 74.79           N  
+ATOM   3867  OD1 ASN B 686      15.253  26.240  -3.629  1.00 74.79           O  
+ATOM   3868  N   VAL B 687      13.332  22.238  -5.650  1.00 82.65           N  
+ATOM   3869  CA  VAL B 687      12.543  21.108  -6.129  1.00 82.65           C  
+ATOM   3870  C   VAL B 687      11.086  21.277  -5.702  1.00 82.65           C  
+ATOM   3871  CB  VAL B 687      13.099  19.765  -5.606  1.00 82.65           C  
+ATOM   3872  O   VAL B 687      10.803  21.557  -4.535  1.00 82.65           O  
+ATOM   3873  CG1 VAL B 687      12.252  18.597  -6.109  1.00 82.65           C  
+ATOM   3874  CG2 VAL B 687      14.557  19.592  -6.027  1.00 82.65           C  
+ATOM   3875  N   ARG B 688      10.130  21.315  -6.673  1.00 82.17           N  
+ATOM   3876  CA  ARG B 688       8.701  21.403  -6.390  1.00 82.17           C  
+ATOM   3877  C   ARG B 688       7.947  20.230  -7.006  1.00 82.17           C  
+ATOM   3878  CB  ARG B 688       8.130  22.724  -6.911  1.00 82.17           C  
+ATOM   3879  O   ARG B 688       8.420  19.615  -7.964  1.00 82.17           O  
+ATOM   3880  CG  ARG B 688       8.673  23.953  -6.199  1.00 82.17           C  
+ATOM   3881  CD  ARG B 688       8.003  25.230  -6.688  1.00 82.17           C  
+ATOM   3882  NE  ARG B 688       8.519  26.408  -5.997  1.00 82.17           N  
+ATOM   3883  NH1 ARG B 688       7.240  27.921  -7.186  1.00 82.17           N  
+ATOM   3884  NH2 ARG B 688       8.679  28.657  -5.560  1.00 82.17           N  
+ATOM   3885  CZ  ARG B 688       8.145  27.659  -6.249  1.00 82.17           C  
+ATOM   3886  N   VAL B 689       6.832  19.959  -6.326  1.00 86.73           N  
+ATOM   3887  CA  VAL B 689       5.938  18.965  -6.910  1.00 86.73           C  
+ATOM   3888  C   VAL B 689       5.360  19.495  -8.220  1.00 86.73           C  
+ATOM   3889  CB  VAL B 689       4.797  18.587  -5.939  1.00 86.73           C  
+ATOM   3890  O   VAL B 689       4.693  20.533  -8.237  1.00 86.73           O  
+ATOM   3891  CG1 VAL B 689       3.861  17.562  -6.577  1.00 86.73           C  
+ATOM   3892  CG2 VAL B 689       5.369  18.050  -4.628  1.00 86.73           C  
+ATOM   3893  N   SER B 690       5.649  18.808  -9.291  1.00 89.06           N  
+ATOM   3894  CA  SER B 690       5.154  19.195 -10.608  1.00 89.06           C  
+ATOM   3895  C   SER B 690       3.732  18.692 -10.833  1.00 89.06           C  
+ATOM   3896  CB  SER B 690       6.074  18.659 -11.706  1.00 89.06           C  
+ATOM   3897  O   SER B 690       2.871  19.438 -11.302  1.00 89.06           O  
+ATOM   3898  OG  SER B 690       5.594  19.028 -12.987  1.00 89.06           O  
+ATOM   3899  N   ARG B 691       3.538  17.420 -10.393  1.00 92.90           N  
+ATOM   3900  CA  ARG B 691       2.231  16.810 -10.614  1.00 92.90           C  
+ATOM   3901  C   ARG B 691       1.981  15.679  -9.623  1.00 92.90           C  
+ATOM   3902  CB  ARG B 691       2.118  16.286 -12.047  1.00 92.90           C  
+ATOM   3903  O   ARG B 691       2.907  14.954  -9.253  1.00 92.90           O  
+ATOM   3904  CG  ARG B 691       2.069  17.380 -13.102  1.00 92.90           C  
+ATOM   3905  CD  ARG B 691       0.714  18.075 -13.131  1.00 92.90           C  
+ATOM   3906  NE  ARG B 691       0.599  18.983 -14.269  1.00 92.90           N  
+ATOM   3907  NH1 ARG B 691       0.196  20.865 -12.991  1.00 92.90           N  
+ATOM   3908  NH2 ARG B 691       0.270  21.020 -15.277  1.00 92.90           N  
+ATOM   3909  CZ  ARG B 691       0.355  20.287 -14.177  1.00 92.90           C  
+ATOM   3910  N   GLU B 692       0.600  15.523  -9.380  1.00 94.22           N  
+ATOM   3911  CA  GLU B 692       0.134  14.378  -8.604  1.00 94.22           C  
+ATOM   3912  C   GLU B 692      -0.914  13.579  -9.374  1.00 94.22           C  
+ATOM   3913  CB  GLU B 692      -0.437  14.835  -7.260  1.00 94.22           C  
+ATOM   3914  O   GLU B 692      -1.954  14.118  -9.759  1.00 94.22           O  
+ATOM   3915  CG  GLU B 692       0.610  15.388  -6.303  1.00 94.22           C  
+ATOM   3916  CD  GLU B 692       0.041  15.768  -4.945  1.00 94.22           C  
+ATOM   3917  OE1 GLU B 692       0.828  15.994  -3.999  1.00 94.22           O  
+ATOM   3918  OE2 GLU B 692      -1.203  15.839  -4.827  1.00 94.22           O  
+ATOM   3919  N   LEU B 693      -0.507  12.385  -9.490  1.00 96.09           N  
+ATOM   3920  CA  LEU B 693      -1.392  11.521 -10.265  1.00 96.09           C  
+ATOM   3921  C   LEU B 693      -2.201  10.610  -9.348  1.00 96.09           C  
+ATOM   3922  CB  LEU B 693      -0.586  10.680 -11.258  1.00 96.09           C  
+ATOM   3923  O   LEU B 693      -1.667   9.645  -8.796  1.00 96.09           O  
+ATOM   3924  CG  LEU B 693       0.484  11.421 -12.062  1.00 96.09           C  
+ATOM   3925  CD1 LEU B 693       1.279  10.439 -12.916  1.00 96.09           C  
+ATOM   3926  CD2 LEU B 693      -0.153  12.500 -12.932  1.00 96.09           C  
+ATOM   3927  N   ALA B 694      -3.519  10.957  -9.192  1.00 92.31           N  
+ATOM   3928  CA  ALA B 694      -4.403  10.218  -8.295  1.00 92.31           C  
+ATOM   3929  C   ALA B 694      -5.471   9.460  -9.078  1.00 92.31           C  
+ATOM   3930  CB  ALA B 694      -5.055  11.165  -7.291  1.00 92.31           C  
+ATOM   3931  O   ALA B 694      -6.309  10.070  -9.747  1.00 92.31           O  
+ATOM   3932  N   GLY B 695      -5.388   8.177  -9.172  1.00 91.55           N  
+ATOM   3933  CA  GLY B 695      -6.359   7.399  -9.925  1.00 91.55           C  
+ATOM   3934  C   GLY B 695      -6.410   5.942  -9.506  1.00 91.55           C  
+ATOM   3935  O   GLY B 695      -7.458   5.301  -9.597  1.00 91.55           O  
+ATOM   3936  N   HIS B 696      -5.456   5.471  -8.836  1.00 93.96           N  
+ATOM   3937  CA  HIS B 696      -5.443   4.095  -8.354  1.00 93.96           C  
+ATOM   3938  C   HIS B 696      -6.266   3.950  -7.078  1.00 93.96           C  
+ATOM   3939  CB  HIS B 696      -4.007   3.627  -8.108  1.00 93.96           C  
+ATOM   3940  O   HIS B 696      -6.359   4.890  -6.285  1.00 93.96           O  
+ATOM   3941  CG  HIS B 696      -3.310   3.155  -9.345  1.00 93.96           C  
+ATOM   3942  CD2 HIS B 696      -2.183   3.594  -9.952  1.00 93.96           C  
+ATOM   3943  ND1 HIS B 696      -3.776   2.106 -10.107  1.00 93.96           N  
+ATOM   3944  CE1 HIS B 696      -2.962   1.918 -11.132  1.00 93.96           C  
+ATOM   3945  NE2 HIS B 696      -1.987   2.808 -11.061  1.00 93.96           N  
+ATOM   3946  N   THR B 697      -6.931   2.833  -6.890  1.00 90.74           N  
+ATOM   3947  CA  THR B 697      -7.700   2.556  -5.682  1.00 90.74           C  
+ATOM   3948  C   THR B 697      -6.907   1.668  -4.727  1.00 90.74           C  
+ATOM   3949  CB  THR B 697      -9.044   1.882  -6.018  1.00 90.74           C  
+ATOM   3950  O   THR B 697      -7.455   1.155  -3.749  1.00 90.74           O  
+ATOM   3951  CG2 THR B 697      -9.926   2.801  -6.855  1.00 90.74           C  
+ATOM   3952  OG1 THR B 697      -8.796   0.676  -6.752  1.00 90.74           O  
+ATOM   3953  N   GLY B 698      -5.701   1.318  -5.048  1.00 88.17           N  
+ATOM   3954  CA  GLY B 698      -4.755   0.572  -4.232  1.00 88.17           C  
+ATOM   3955  C   GLY B 698      -3.377   1.204  -4.188  1.00 88.17           C  
+ATOM   3956  O   GLY B 698      -3.130   2.213  -4.851  1.00 88.17           O  
+ATOM   3957  N   TYR B 699      -2.435   0.666  -3.367  1.00 91.95           N  
+ATOM   3958  CA  TYR B 699      -1.102   1.238  -3.215  1.00 91.95           C  
+ATOM   3959  C   TYR B 699      -0.295   1.090  -4.500  1.00 91.95           C  
+ATOM   3960  CB  TYR B 699      -0.360   0.570  -2.053  1.00 91.95           C  
+ATOM   3961  O   TYR B 699      -0.555   0.191  -5.303  1.00 91.95           O  
+ATOM   3962  CG  TYR B 699      -0.205  -0.923  -2.209  1.00 91.95           C  
+ATOM   3963  CD1 TYR B 699      -1.151  -1.800  -1.682  1.00 91.95           C  
+ATOM   3964  CD2 TYR B 699       0.886  -1.461  -2.883  1.00 91.95           C  
+ATOM   3965  CE1 TYR B 699      -1.012  -3.177  -1.822  1.00 91.95           C  
+ATOM   3966  CE2 TYR B 699       1.035  -2.836  -3.029  1.00 91.95           C  
+ATOM   3967  OH  TYR B 699       0.224  -5.047  -2.637  1.00 91.95           O  
+ATOM   3968  CZ  TYR B 699       0.082  -3.685  -2.496  1.00 91.95           C  
+ATOM   3969  N   LEU B 700       0.622   2.021  -4.642  1.00 95.65           N  
+ATOM   3970  CA  LEU B 700       1.531   1.959  -5.781  1.00 95.65           C  
+ATOM   3971  C   LEU B 700       2.760   1.119  -5.450  1.00 95.65           C  
+ATOM   3972  CB  LEU B 700       1.958   3.367  -6.203  1.00 95.65           C  
+ATOM   3973  O   LEU B 700       3.470   1.404  -4.483  1.00 95.65           O  
+ATOM   3974  CG  LEU B 700       1.054   4.077  -7.212  1.00 95.65           C  
+ATOM   3975  CD1 LEU B 700      -0.220   4.564  -6.531  1.00 95.65           C  
+ATOM   3976  CD2 LEU B 700       1.793   5.238  -7.869  1.00 95.65           C  
+ATOM   3977  N   SER B 701       2.926   0.107  -6.260  1.00 96.27           N  
+ATOM   3978  CA  SER B 701       4.026  -0.811  -5.982  1.00 96.27           C  
+ATOM   3979  C   SER B 701       5.254  -0.472  -6.820  1.00 96.27           C  
+ATOM   3980  CB  SER B 701       3.600  -2.255  -6.248  1.00 96.27           C  
+ATOM   3981  O   SER B 701       6.387  -0.712  -6.397  1.00 96.27           O  
+ATOM   3982  OG  SER B 701       3.151  -2.409  -7.583  1.00 96.27           O  
+ATOM   3983  N   CYS B 702       5.162  -0.032  -8.083  1.00 98.09           N  
+ATOM   3984  CA  CYS B 702       6.273   0.297  -8.968  1.00 98.09           C  
+ATOM   3985  C   CYS B 702       5.858   1.338 -10.001  1.00 98.09           C  
+ATOM   3986  CB  CYS B 702       6.787  -0.958  -9.673  1.00 98.09           C  
+ATOM   3987  O   CYS B 702       4.682   1.428 -10.360  1.00 98.09           O  
+ATOM   3988  SG  CYS B 702       8.384  -0.735 -10.485  1.00 98.09           S  
+ATOM   3989  N   CYS B 703       6.831   2.180 -10.443  1.00 98.07           N  
+ATOM   3990  CA  CYS B 703       6.568   3.154 -11.496  1.00 98.07           C  
+ATOM   3991  C   CYS B 703       7.797   3.353 -12.375  1.00 98.07           C  
+ATOM   3992  CB  CYS B 703       6.139   4.492 -10.894  1.00 98.07           C  
+ATOM   3993  O   CYS B 703       8.928   3.322 -11.885  1.00 98.07           O  
+ATOM   3994  SG  CYS B 703       7.413   5.279  -9.886  1.00 98.07           S  
+ATOM   3995  N   ARG B 704       7.556   3.546 -13.708  1.00 98.18           N  
+ATOM   3996  CA  ARG B 704       8.640   3.769 -14.660  1.00 98.18           C  
+ATOM   3997  C   ARG B 704       8.231   4.775 -15.730  1.00 98.18           C  
+ATOM   3998  CB  ARG B 704       9.061   2.451 -15.314  1.00 98.18           C  
+ATOM   3999  O   ARG B 704       7.132   4.692 -16.281  1.00 98.18           O  
+ATOM   4000  CG  ARG B 704       9.683   1.455 -14.348  1.00 98.18           C  
+ATOM   4001  CD  ARG B 704      11.066   1.899 -13.892  1.00 98.18           C  
+ATOM   4002  NE  ARG B 704      11.727   0.870 -13.095  1.00 98.18           N  
+ATOM   4003  NH1 ARG B 704      11.474   1.975 -11.082  1.00 98.18           N  
+ATOM   4004  NH2 ARG B 704      12.521  -0.063 -11.152  1.00 98.18           N  
+ATOM   4005  CZ  ARG B 704      11.906   0.930 -11.778  1.00 98.18           C  
+ATOM   4006  N   PHE B 705       9.151   5.766 -15.991  1.00 98.30           N  
+ATOM   4007  CA  PHE B 705       8.923   6.745 -17.046  1.00 98.30           C  
+ATOM   4008  C   PHE B 705       9.112   6.115 -18.421  1.00 98.30           C  
+ATOM   4009  CB  PHE B 705       9.866   7.942 -16.884  1.00 98.30           C  
+ATOM   4010  O   PHE B 705      10.111   5.435 -18.666  1.00 98.30           O  
+ATOM   4011  CG  PHE B 705       9.471   8.880 -15.776  1.00 98.30           C  
+ATOM   4012  CD1 PHE B 705       8.503   9.855 -15.985  1.00 98.30           C  
+ATOM   4013  CD2 PHE B 705      10.067   8.787 -14.525  1.00 98.30           C  
+ATOM   4014  CE1 PHE B 705       8.135  10.726 -14.961  1.00 98.30           C  
+ATOM   4015  CE2 PHE B 705       9.705   9.654 -13.498  1.00 98.30           C  
+ATOM   4016  CZ  PHE B 705       8.739  10.623 -13.718  1.00 98.30           C  
+ATOM   4017  N   LEU B 706       8.110   6.338 -19.248  1.00 96.78           N  
+ATOM   4018  CA  LEU B 706       8.333   6.058 -20.662  1.00 96.78           C  
+ATOM   4019  C   LEU B 706       9.169   7.157 -21.309  1.00 96.78           C  
+ATOM   4020  CB  LEU B 706       6.998   5.916 -21.398  1.00 96.78           C  
+ATOM   4021  O   LEU B 706      10.085   6.871 -22.084  1.00 96.78           O  
+ATOM   4022  CG  LEU B 706       6.209   4.633 -21.131  1.00 96.78           C  
+ATOM   4023  CD1 LEU B 706       4.840   4.704 -21.798  1.00 96.78           C  
+ATOM   4024  CD2 LEU B 706       6.986   3.416 -21.622  1.00 96.78           C  
+ATOM   4025  N   ASP B 707       8.782   8.318 -21.005  1.00 95.98           N  
+ATOM   4026  CA  ASP B 707       9.449   9.574 -21.335  1.00 95.98           C  
+ATOM   4027  C   ASP B 707       9.109  10.660 -20.317  1.00 95.98           C  
+ATOM   4028  CB  ASP B 707       9.064  10.033 -22.743  1.00 95.98           C  
+ATOM   4029  O   ASP B 707       8.558  10.371 -19.253  1.00 95.98           O  
+ATOM   4030  CG  ASP B 707       7.566  10.210 -22.920  1.00 95.98           C  
+ATOM   4031  OD1 ASP B 707       6.911  10.789 -22.027  1.00 95.98           O  
+ATOM   4032  OD2 ASP B 707       7.036   9.764 -23.960  1.00 95.98           O  
+ATOM   4033  N   ASP B 708       9.393  11.900 -20.645  1.00 95.28           N  
+ATOM   4034  CA  ASP B 708       9.200  12.964 -19.664  1.00 95.28           C  
+ATOM   4035  C   ASP B 708       7.723  13.327 -19.532  1.00 95.28           C  
+ATOM   4036  CB  ASP B 708      10.014  14.201 -20.048  1.00 95.28           C  
+ATOM   4037  O   ASP B 708       7.326  13.999 -18.577  1.00 95.28           O  
+ATOM   4038  CG  ASP B 708      11.494  14.054 -19.746  1.00 95.28           C  
+ATOM   4039  OD1 ASP B 708      11.940  12.936 -19.410  1.00 95.28           O  
+ATOM   4040  OD2 ASP B 708      12.221  15.067 -19.841  1.00 95.28           O  
+ATOM   4041  N   ASN B 709       6.919  12.725 -20.426  1.00 96.95           N  
+ATOM   4042  CA  ASN B 709       5.513  13.114 -20.443  1.00 96.95           C  
+ATOM   4043  C   ASN B 709       4.606  11.960 -20.026  1.00 96.95           C  
+ATOM   4044  CB  ASN B 709       5.115  13.628 -21.829  1.00 96.95           C  
+ATOM   4045  O   ASN B 709       3.432  12.169 -19.716  1.00 96.95           O  
+ATOM   4046  CG  ASN B 709       5.836  14.907 -22.207  1.00 96.95           C  
+ATOM   4047  ND2 ASN B 709       6.164  15.047 -23.486  1.00 96.95           N  
+ATOM   4048  OD1 ASN B 709       6.096  15.762 -21.356  1.00 96.95           O  
+ATOM   4049  N   GLN B 710       5.166  10.805 -20.042  1.00 97.93           N  
+ATOM   4050  CA  GLN B 710       4.351   9.638 -19.721  1.00 97.93           C  
+ATOM   4051  C   GLN B 710       5.051   8.741 -18.704  1.00 97.93           C  
+ATOM   4052  CB  GLN B 710       4.028   8.843 -20.988  1.00 97.93           C  
+ATOM   4053  O   GLN B 710       6.273   8.587 -18.742  1.00 97.93           O  
+ATOM   4054  CG  GLN B 710       3.140   9.590 -21.973  1.00 97.93           C  
+ATOM   4055  CD  GLN B 710       2.804   8.767 -23.202  1.00 97.93           C  
+ATOM   4056  NE2 GLN B 710       1.527   8.738 -23.566  1.00 97.93           N  
+ATOM   4057  OE1 GLN B 710       3.686   8.162 -23.820  1.00 97.93           O  
+ATOM   4058  N   ILE B 711       4.182   8.128 -17.844  1.00 98.45           N  
+ATOM   4059  CA  ILE B 711       4.705   7.215 -16.834  1.00 98.45           C  
+ATOM   4060  C   ILE B 711       3.752   6.035 -16.662  1.00 98.45           C  
+ATOM   4061  CB  ILE B 711       4.920   7.932 -15.482  1.00 98.45           C  
+ATOM   4062  O   ILE B 711       2.534   6.191 -16.777  1.00 98.45           O  
+ATOM   4063  CG1 ILE B 711       5.693   7.028 -14.515  1.00 98.45           C  
+ATOM   4064  CG2 ILE B 711       3.579   8.359 -14.878  1.00 98.45           C  
+ATOM   4065  CD1 ILE B 711       6.205   7.744 -13.273  1.00 98.45           C  
+ATOM   4066  N   VAL B 712       4.348   4.856 -16.405  1.00 98.40           N  
+ATOM   4067  CA  VAL B 712       3.568   3.651 -16.140  1.00 98.40           C  
+ATOM   4068  C   VAL B 712       3.658   3.292 -14.659  1.00 98.40           C  
+ATOM   4069  CB  VAL B 712       4.044   2.464 -17.007  1.00 98.40           C  
+ATOM   4070  O   VAL B 712       4.743   3.316 -14.073  1.00 98.40           O  
+ATOM   4071  CG1 VAL B 712       3.210   1.217 -16.720  1.00 98.40           C  
+ATOM   4072  CG2 VAL B 712       3.977   2.826 -18.489  1.00 98.40           C  
+ATOM   4073  N   THR B 713       2.460   2.948 -14.085  1.00 98.60           N  
+ATOM   4074  CA  THR B 713       2.424   2.602 -12.668  1.00 98.60           C  
+ATOM   4075  C   THR B 713       1.770   1.238 -12.461  1.00 98.60           C  
+ATOM   4076  CB  THR B 713       1.667   3.666 -11.852  1.00 98.60           C  
+ATOM   4077  O   THR B 713       0.926   0.822 -13.257  1.00 98.60           O  
+ATOM   4078  CG2 THR B 713       2.336   5.031 -11.974  1.00 98.60           C  
+ATOM   4079  OG1 THR B 713       0.321   3.762 -12.335  1.00 98.60           O  
+ATOM   4080  N   SER B 714       2.221   0.522 -11.412  1.00 98.09           N  
+ATOM   4081  CA  SER B 714       1.581  -0.709 -10.959  1.00 98.09           C  
+ATOM   4082  C   SER B 714       1.000  -0.547  -9.559  1.00 98.09           C  
+ATOM   4083  CB  SER B 714       2.578  -1.869 -10.975  1.00 98.09           C  
+ATOM   4084  O   SER B 714       1.564   0.165  -8.725  1.00 98.09           O  
+ATOM   4085  OG  SER B 714       3.634  -1.638 -10.058  1.00 98.09           O  
+ATOM   4086  N   SER B 715      -0.142  -1.260  -9.302  1.00 97.58           N  
+ATOM   4087  CA  SER B 715      -0.872  -0.954  -8.076  1.00 97.58           C  
+ATOM   4088  C   SER B 715      -1.420  -2.221  -7.428  1.00 97.58           C  
+ATOM   4089  CB  SER B 715      -2.016   0.019  -8.361  1.00 97.58           C  
+ATOM   4090  O   SER B 715      -1.491  -3.272  -8.069  1.00 97.58           O  
+ATOM   4091  OG  SER B 715      -2.819   0.204  -7.208  1.00 97.58           O  
+ATOM   4092  N   GLY B 716      -1.727  -2.027  -6.152  1.00 94.12           N  
+ATOM   4093  CA  GLY B 716      -2.370  -3.082  -5.386  1.00 94.12           C  
+ATOM   4094  C   GLY B 716      -3.834  -3.268  -5.738  1.00 94.12           C  
+ATOM   4095  O   GLY B 716      -4.515  -4.116  -5.158  1.00 94.12           O  
+ATOM   4096  N   ASP B 717      -4.315  -2.548  -6.570  1.00 94.50           N  
+ATOM   4097  CA  ASP B 717      -5.693  -2.691  -7.030  1.00 94.50           C  
+ATOM   4098  C   ASP B 717      -5.783  -3.666  -8.202  1.00 94.50           C  
+ATOM   4099  CB  ASP B 717      -6.270  -1.332  -7.430  1.00 94.50           C  
+ATOM   4100  O   ASP B 717      -6.791  -3.703  -8.910  1.00 94.50           O  
+ATOM   4101  CG  ASP B 717      -5.561  -0.716  -8.624  1.00 94.50           C  
+ATOM   4102  OD1 ASP B 717      -4.740  -1.404  -9.268  1.00 94.50           O  
+ATOM   4103  OD2 ASP B 717      -5.824   0.469  -8.921  1.00 94.50           O  
+ATOM   4104  N   THR B 718      -4.736  -4.317  -8.462  1.00 96.42           N  
+ATOM   4105  CA  THR B 718      -4.603  -5.404  -9.426  1.00 96.42           C  
+ATOM   4106  C   THR B 718      -4.464  -4.856 -10.843  1.00 96.42           C  
+ATOM   4107  CB  THR B 718      -5.807  -6.362  -9.358  1.00 96.42           C  
+ATOM   4108  O   THR B 718      -4.628  -5.593 -11.818  1.00 96.42           O  
+ATOM   4109  CG2 THR B 718      -6.012  -6.888  -7.941  1.00 96.42           C  
+ATOM   4110  OG1 THR B 718      -6.988  -5.665  -9.773  1.00 96.42           O  
+ATOM   4111  N   THR B 719      -4.229  -3.573 -11.014  1.00 97.31           N  
+ATOM   4112  CA  THR B 719      -4.139  -2.971 -12.340  1.00 97.31           C  
+ATOM   4113  C   THR B 719      -2.805  -2.252 -12.518  1.00 97.31           C  
+ATOM   4114  CB  THR B 719      -5.295  -1.983 -12.584  1.00 97.31           C  
+ATOM   4115  O   THR B 719      -2.109  -1.972 -11.540  1.00 97.31           O  
+ATOM   4116  CG2 THR B 719      -6.646  -2.645 -12.335  1.00 97.31           C  
+ATOM   4117  OG1 THR B 719      -5.153  -0.864 -11.701  1.00 97.31           O  
+ATOM   4118  N   CYS B 720      -2.388  -2.047 -13.743  1.00 98.29           N  
+ATOM   4119  CA  CYS B 720      -1.376  -1.086 -14.167  1.00 98.29           C  
+ATOM   4120  C   CYS B 720      -2.007   0.071 -14.932  1.00 98.29           C  
+ATOM   4121  CB  CYS B 720      -0.321  -1.769 -15.037  1.00 98.29           C  
+ATOM   4122  O   CYS B 720      -3.107  -0.063 -15.471  1.00 98.29           O  
+ATOM   4123  SG  CYS B 720       0.521  -3.141 -14.219  1.00 98.29           S  
+ATOM   4124  N   ALA B 721      -1.295   1.196 -14.907  1.00 97.97           N  
+ATOM   4125  CA  ALA B 721      -1.879   2.351 -15.583  1.00 97.97           C  
+ATOM   4126  C   ALA B 721      -0.807   3.167 -16.300  1.00 97.97           C  
+ATOM   4127  CB  ALA B 721      -2.631   3.227 -14.585  1.00 97.97           C  
+ATOM   4128  O   ALA B 721       0.309   3.318 -15.795  1.00 97.97           O  
+ATOM   4129  N   LEU B 722      -1.164   3.591 -17.500  1.00 98.11           N  
+ATOM   4130  CA  LEU B 722      -0.377   4.580 -18.229  1.00 98.11           C  
+ATOM   4131  C   LEU B 722      -0.923   5.985 -18.000  1.00 98.11           C  
+ATOM   4132  CB  LEU B 722      -0.369   4.260 -19.726  1.00 98.11           C  
+ATOM   4133  O   LEU B 722      -2.112   6.235 -18.209  1.00 98.11           O  
+ATOM   4134  CG  LEU B 722       0.435   5.207 -20.618  1.00 98.11           C  
+ATOM   4135  CD1 LEU B 722       1.919   5.123 -20.278  1.00 98.11           C  
+ATOM   4136  CD2 LEU B 722       0.199   4.887 -22.090  1.00 98.11           C  
+ATOM   4137  N   TRP B 723       0.053   6.874 -17.614  1.00 98.08           N  
+ATOM   4138  CA  TRP B 723      -0.376   8.218 -17.241  1.00 98.08           C  
+ATOM   4139  C   TRP B 723       0.190   9.257 -18.204  1.00 98.08           C  
+ATOM   4140  CB  TRP B 723       0.057   8.543 -15.808  1.00 98.08           C  
+ATOM   4141  O   TRP B 723       1.338   9.148 -18.639  1.00 98.08           O  
+ATOM   4142  CG  TRP B 723      -0.485   7.596 -14.779  1.00 98.08           C  
+ATOM   4143  CD1 TRP B 723       0.001   6.358 -14.463  1.00 98.08           C  
+ATOM   4144  CD2 TRP B 723      -1.619   7.810 -13.935  1.00 98.08           C  
+ATOM   4145  CE2 TRP B 723      -1.764   6.659 -13.129  1.00 98.08           C  
+ATOM   4146  CE3 TRP B 723      -2.529   8.865 -13.780  1.00 98.08           C  
+ATOM   4147  NE1 TRP B 723      -0.764   5.789 -13.471  1.00 98.08           N  
+ATOM   4148  CH2 TRP B 723      -3.659   7.580 -12.051  1.00 98.08           C  
+ATOM   4149  CZ2 TRP B 723      -2.783   6.533 -12.182  1.00 98.08           C  
+ATOM   4150  CZ3 TRP B 723      -3.542   8.738 -12.837  1.00 98.08           C  
+ATOM   4151  N   ASP B 724      -0.670  10.184 -18.528  1.00 97.28           N  
+ATOM   4152  CA  ASP B 724      -0.212  11.452 -19.088  1.00 97.28           C  
+ATOM   4153  C   ASP B 724       0.088  12.463 -17.983  1.00 97.28           C  
+ATOM   4154  CB  ASP B 724      -1.254  12.021 -20.053  1.00 97.28           C  
+ATOM   4155  O   ASP B 724      -0.824  12.933 -17.300  1.00 97.28           O  
+ATOM   4156  CG  ASP B 724      -0.777  13.271 -20.771  1.00 97.28           C  
+ATOM   4157  OD1 ASP B 724      -0.621  14.327 -20.121  1.00 97.28           O  
+ATOM   4158  OD2 ASP B 724      -0.557  13.200 -22.000  1.00 97.28           O  
+ATOM   4159  N   ILE B 725       1.370  12.790 -17.907  1.00 97.13           N  
+ATOM   4160  CA  ILE B 725       1.829  13.562 -16.757  1.00 97.13           C  
+ATOM   4161  C   ILE B 725       1.274  14.982 -16.834  1.00 97.13           C  
+ATOM   4162  CB  ILE B 725       3.372  13.594 -16.678  1.00 97.13           C  
+ATOM   4163  O   ILE B 725       0.864  15.551 -15.819  1.00 97.13           O  
+ATOM   4164  CG1 ILE B 725       3.922  12.188 -16.410  1.00 97.13           C  
+ATOM   4165  CG2 ILE B 725       3.837  14.578 -15.601  1.00 97.13           C  
+ATOM   4166  CD1 ILE B 725       5.438  12.089 -16.500  1.00 97.13           C  
+ATOM   4167  N   GLU B 726       1.143  15.499 -18.032  1.00 94.24           N  
+ATOM   4168  CA  GLU B 726       0.658  16.863 -18.222  1.00 94.24           C  
+ATOM   4169  C   GLU B 726      -0.800  16.996 -17.789  1.00 94.24           C  
+ATOM   4170  CB  GLU B 726       0.813  17.290 -19.684  1.00 94.24           C  
+ATOM   4171  O   GLU B 726      -1.149  17.909 -17.037  1.00 94.24           O  
+ATOM   4172  CG  GLU B 726       0.447  18.744 -19.942  1.00 94.24           C  
+ATOM   4173  CD  GLU B 726       0.816  19.218 -21.339  1.00 94.24           C  
+ATOM   4174  OE1 GLU B 726       0.649  20.422 -21.636  1.00 94.24           O  
+ATOM   4175  OE2 GLU B 726       1.276  18.377 -22.143  1.00 94.24           O  
+ATOM   4176  N   THR B 727      -1.639  16.096 -18.192  1.00 95.41           N  
+ATOM   4177  CA  THR B 727      -3.068  16.189 -17.915  1.00 95.41           C  
+ATOM   4178  C   THR B 727      -3.403  15.536 -16.577  1.00 95.41           C  
+ATOM   4179  CB  THR B 727      -3.897  15.529 -19.033  1.00 95.41           C  
+ATOM   4180  O   THR B 727      -4.462  15.797 -16.002  1.00 95.41           O  
+ATOM   4181  CG2 THR B 727      -3.577  16.145 -20.391  1.00 95.41           C  
+ATOM   4182  OG1 THR B 727      -3.604  14.128 -19.075  1.00 95.41           O  
+ATOM   4183  N   GLY B 728      -2.535  14.667 -16.015  1.00 94.28           N  
+ATOM   4184  CA  GLY B 728      -2.754  13.963 -14.762  1.00 94.28           C  
+ATOM   4185  C   GLY B 728      -3.763  12.836 -14.880  1.00 94.28           C  
+ATOM   4186  O   GLY B 728      -4.256  12.330 -13.870  1.00 94.28           O  
+ATOM   4187  N   GLN B 729      -4.058  12.409 -16.123  1.00 94.39           N  
+ATOM   4188  CA  GLN B 729      -5.094  11.408 -16.355  1.00 94.39           C  
+ATOM   4189  C   GLN B 729      -4.484  10.071 -16.768  1.00 94.39           C  
+ATOM   4190  CB  GLN B 729      -6.076  11.889 -17.424  1.00 94.39           C  
+ATOM   4191  O   GLN B 729      -3.442  10.035 -17.427  1.00 94.39           O  
+ATOM   4192  CG  GLN B 729      -6.932  13.070 -16.986  1.00 94.39           C  
+ATOM   4193  CD  GLN B 729      -8.055  13.375 -17.960  1.00 94.39           C  
+ATOM   4194  NE2 GLN B 729      -8.960  14.263 -17.562  1.00 94.39           N  
+ATOM   4195  OE1 GLN B 729      -8.108  12.817 -19.061  1.00 94.39           O  
+ATOM   4196  N   GLN B 730      -5.291   9.011 -16.376  1.00 95.08           N  
+ATOM   4197  CA  GLN B 730      -4.924   7.694 -16.883  1.00 95.08           C  
+ATOM   4198  C   GLN B 730      -5.314   7.541 -18.351  1.00 95.08           C  
+ATOM   4199  CB  GLN B 730      -5.581   6.594 -16.048  1.00 95.08           C  
+ATOM   4200  O   GLN B 730      -6.498   7.584 -18.691  1.00 95.08           O  
+ATOM   4201  CG  GLN B 730      -5.120   6.565 -14.597  1.00 95.08           C  
+ATOM   4202  CD  GLN B 730      -5.818   5.493 -13.781  1.00 95.08           C  
+ATOM   4203  NE2 GLN B 730      -5.189   5.078 -12.687  1.00 95.08           N  
+ATOM   4204  OE1 GLN B 730      -6.914   5.044 -14.130  1.00 95.08           O  
+ATOM   4205  N   THR B 731      -4.344   7.403 -19.193  1.00 95.29           N  
+ATOM   4206  CA  THR B 731      -4.652   7.240 -20.609  1.00 95.29           C  
+ATOM   4207  C   THR B 731      -5.098   5.810 -20.904  1.00 95.29           C  
+ATOM   4208  CB  THR B 731      -3.440   7.595 -21.489  1.00 95.29           C  
+ATOM   4209  O   THR B 731      -6.035   5.593 -21.675  1.00 95.29           O  
+ATOM   4210  CG2 THR B 731      -3.111   9.081 -21.399  1.00 95.29           C  
+ATOM   4211  OG1 THR B 731      -2.303   6.838 -21.055  1.00 95.29           O  
+ATOM   4212  N   THR B 732      -4.452   4.902 -20.272  1.00 96.06           N  
+ATOM   4213  CA  THR B 732      -4.784   3.492 -20.441  1.00 96.06           C  
+ATOM   4214  C   THR B 732      -4.727   2.759 -19.103  1.00 96.06           C  
+ATOM   4215  CB  THR B 732      -3.835   2.811 -21.444  1.00 96.06           C  
+ATOM   4216  O   THR B 732      -3.797   2.960 -18.319  1.00 96.06           O  
+ATOM   4217  CG2 THR B 732      -4.296   1.391 -21.760  1.00 96.06           C  
+ATOM   4218  OG1 THR B 732      -3.805   3.572 -22.657  1.00 96.06           O  
+ATOM   4219  N   THR B 733      -5.742   1.962 -18.826  1.00 96.49           N  
+ATOM   4220  CA  THR B 733      -5.720   1.059 -17.679  1.00 96.49           C  
+ATOM   4221  C   THR B 733      -5.560  -0.388 -18.134  1.00 96.49           C  
+ATOM   4222  CB  THR B 733      -7.002   1.197 -16.836  1.00 96.49           C  
+ATOM   4223  O   THR B 733      -6.325  -0.870 -18.973  1.00 96.49           O  
+ATOM   4224  CG2 THR B 733      -6.951   0.295 -15.608  1.00 96.49           C  
+ATOM   4225  OG1 THR B 733      -7.143   2.558 -16.411  1.00 96.49           O  
+ATOM   4226  N   PHE B 734      -4.527  -1.041 -17.588  1.00 97.70           N  
+ATOM   4227  CA  PHE B 734      -4.230  -2.423 -17.947  1.00 97.70           C  
+ATOM   4228  C   PHE B 734      -4.793  -3.385 -16.908  1.00 97.70           C  
+ATOM   4229  CB  PHE B 734      -2.719  -2.629 -18.090  1.00 97.70           C  
+ATOM   4230  O   PHE B 734      -4.285  -3.464 -15.788  1.00 97.70           O  
+ATOM   4231  CG  PHE B 734      -2.063  -1.667 -19.043  1.00 97.70           C  
+ATOM   4232  CD1 PHE B 734      -1.971  -1.963 -20.398  1.00 97.70           C  
+ATOM   4233  CD2 PHE B 734      -1.537  -0.467 -18.584  1.00 97.70           C  
+ATOM   4234  CE1 PHE B 734      -1.364  -1.074 -21.282  1.00 97.70           C  
+ATOM   4235  CE2 PHE B 734      -0.928   0.426 -19.461  1.00 97.70           C  
+ATOM   4236  CZ  PHE B 734      -0.842   0.120 -20.810  1.00 97.70           C  
+ATOM   4237  N   THR B 735      -5.875  -4.190 -17.354  1.00 95.55           N  
+ATOM   4238  CA  THR B 735      -6.571  -5.111 -16.461  1.00 95.55           C  
+ATOM   4239  C   THR B 735      -6.339  -6.557 -16.888  1.00 95.55           C  
+ATOM   4240  CB  THR B 735      -8.083  -4.819 -16.426  1.00 95.55           C  
+ATOM   4241  O   THR B 735      -6.419  -6.880 -18.075  1.00 95.55           O  
+ATOM   4242  CG2 THR B 735      -8.362  -3.430 -15.862  1.00 95.55           C  
+ATOM   4243  OG1 THR B 735      -8.610  -4.899 -17.756  1.00 95.55           O  
+ATOM   4244  N   GLY B 736      -5.884  -7.359 -16.004  1.00 93.29           N  
+ATOM   4245  CA  GLY B 736      -5.637  -8.757 -16.319  1.00 93.29           C  
+ATOM   4246  C   GLY B 736      -5.117  -9.552 -15.137  1.00 93.29           C  
+ATOM   4247  O   GLY B 736      -5.428 -10.736 -14.993  1.00 93.29           O  
+ATOM   4248  N   HIS B 737      -4.528  -8.957 -14.188  1.00 97.17           N  
+ATOM   4249  CA  HIS B 737      -4.025  -9.638 -13.000  1.00 97.17           C  
+ATOM   4250  C   HIS B 737      -5.144  -9.888 -11.994  1.00 97.17           C  
+ATOM   4251  CB  HIS B 737      -2.906  -8.824 -12.349  1.00 97.17           C  
+ATOM   4252  O   HIS B 737      -6.101  -9.115 -11.919  1.00 97.17           O  
+ATOM   4253  CG  HIS B 737      -1.571  -9.015 -12.997  1.00 97.17           C  
+ATOM   4254  CD2 HIS B 737      -0.768  -8.143 -13.650  1.00 97.17           C  
+ATOM   4255  ND1 HIS B 737      -0.920 -10.229 -13.017  1.00 97.17           N  
+ATOM   4256  CE1 HIS B 737       0.230 -10.095 -13.656  1.00 97.17           C  
+ATOM   4257  NE2 HIS B 737       0.346  -8.838 -14.051  1.00 97.17           N  
+ATOM   4258  N   THR B 738      -5.084 -10.964 -11.269  1.00 94.78           N  
+ATOM   4259  CA  THR B 738      -6.074 -11.291 -10.249  1.00 94.78           C  
+ATOM   4260  C   THR B 738      -5.501 -11.077  -8.851  1.00 94.78           C  
+ATOM   4261  CB  THR B 738      -6.563 -12.744 -10.390  1.00 94.78           C  
+ATOM   4262  O   THR B 738      -6.144 -11.410  -7.853  1.00 94.78           O  
+ATOM   4263  CG2 THR B 738      -7.303 -12.950 -11.708  1.00 94.78           C  
+ATOM   4264  OG1 THR B 738      -5.435 -13.627 -10.345  1.00 94.78           O  
+ATOM   4265  N   GLY B 739      -4.266 -10.648  -8.723  1.00 92.67           N  
+ATOM   4266  CA  GLY B 739      -3.590 -10.272  -7.492  1.00 92.67           C  
+ATOM   4267  C   GLY B 739      -2.887  -8.930  -7.583  1.00 92.67           C  
+ATOM   4268  O   GLY B 739      -2.845  -8.317  -8.651  1.00 92.67           O  
+ATOM   4269  N   ASP B 740      -2.338  -8.416  -6.473  1.00 97.19           N  
+ATOM   4270  CA  ASP B 740      -1.611  -7.150  -6.446  1.00 97.19           C  
+ATOM   4271  C   ASP B 740      -0.447  -7.164  -7.434  1.00 97.19           C  
+ATOM   4272  CB  ASP B 740      -1.099  -6.856  -5.034  1.00 97.19           C  
+ATOM   4273  O   ASP B 740       0.349  -8.105  -7.451  1.00 97.19           O  
+ATOM   4274  CG  ASP B 740      -2.218  -6.615  -4.036  1.00 97.19           C  
+ATOM   4275  OD1 ASP B 740      -3.403  -6.783  -4.396  1.00 97.19           O  
+ATOM   4276  OD2 ASP B 740      -1.912  -6.251  -2.880  1.00 97.19           O  
+ATOM   4277  N   VAL B 741      -0.422  -6.168  -8.263  1.00 98.26           N  
+ATOM   4278  CA  VAL B 741       0.730  -6.030  -9.148  1.00 98.26           C  
+ATOM   4279  C   VAL B 741       1.913  -5.457  -8.372  1.00 98.26           C  
+ATOM   4280  CB  VAL B 741       0.407  -5.134 -10.365  1.00 98.26           C  
+ATOM   4281  O   VAL B 741       1.849  -4.332  -7.872  1.00 98.26           O  
+ATOM   4282  CG1 VAL B 741       1.582  -5.103 -11.340  1.00 98.26           C  
+ATOM   4283  CG2 VAL B 741      -0.860  -5.622 -11.065  1.00 98.26           C  
+ATOM   4284  N   MET B 742       2.990  -6.213  -8.320  1.00 96.62           N  
+ATOM   4285  CA  MET B 742       4.068  -5.908  -7.384  1.00 96.62           C  
+ATOM   4286  C   MET B 742       5.212  -5.186  -8.088  1.00 96.62           C  
+ATOM   4287  CB  MET B 742       4.585  -7.187  -6.722  1.00 96.62           C  
+ATOM   4288  O   MET B 742       5.968  -4.446  -7.455  1.00 96.62           O  
+ATOM   4289  CG  MET B 742       3.553  -7.886  -5.851  1.00 96.62           C  
+ATOM   4290  SD  MET B 742       2.909  -6.802  -4.517  1.00 96.62           S  
+ATOM   4291  CE  MET B 742       4.395  -6.647  -3.487  1.00 96.62           C  
+ATOM   4292  N   SER B 743       5.441  -5.446  -9.369  1.00 96.79           N  
+ATOM   4293  CA  SER B 743       6.583  -4.869 -10.069  1.00 96.79           C  
+ATOM   4294  C   SER B 743       6.325  -4.778 -11.569  1.00 96.79           C  
+ATOM   4295  CB  SER B 743       7.844  -5.694  -9.809  1.00 96.79           C  
+ATOM   4296  O   SER B 743       5.479  -5.498 -12.103  1.00 96.79           O  
+ATOM   4297  OG  SER B 743       7.699  -7.008 -10.320  1.00 96.79           O  
+ATOM   4298  N   LEU B 744       6.906  -3.854 -12.215  1.00 97.47           N  
+ATOM   4299  CA  LEU B 744       6.865  -3.759 -13.670  1.00 97.47           C  
+ATOM   4300  C   LEU B 744       8.233  -3.383 -14.229  1.00 97.47           C  
+ATOM   4301  CB  LEU B 744       5.820  -2.731 -14.111  1.00 97.47           C  
+ATOM   4302  O   LEU B 744       9.062  -2.810 -13.518  1.00 97.47           O  
+ATOM   4303  CG  LEU B 744       6.028  -1.298 -13.617  1.00 97.47           C  
+ATOM   4304  CD1 LEU B 744       6.998  -0.558 -14.531  1.00 97.47           C  
+ATOM   4305  CD2 LEU B 744       4.696  -0.562 -13.534  1.00 97.47           C  
+ATOM   4306  N   SER B 745       8.536  -3.791 -15.473  1.00 98.18           N  
+ATOM   4307  CA  SER B 745       9.759  -3.459 -16.197  1.00 98.18           C  
+ATOM   4308  C   SER B 745       9.462  -3.102 -17.649  1.00 98.18           C  
+ATOM   4309  CB  SER B 745      10.748  -4.623 -16.142  1.00 98.18           C  
+ATOM   4310  O   SER B 745       8.690  -3.792 -18.319  1.00 98.18           O  
+ATOM   4311  OG  SER B 745      11.956  -4.290 -16.805  1.00 98.18           O  
+ATOM   4312  N   LEU B 746      10.093  -1.998 -18.085  1.00 97.67           N  
+ATOM   4313  CA  LEU B 746       9.911  -1.558 -19.463  1.00 97.67           C  
+ATOM   4314  C   LEU B 746      10.907  -2.248 -20.390  1.00 97.67           C  
+ATOM   4315  CB  LEU B 746      10.069  -0.039 -19.567  1.00 97.67           C  
+ATOM   4316  O   LEU B 746      12.077  -2.414 -20.038  1.00 97.67           O  
+ATOM   4317  CG  LEU B 746       9.041   0.802 -18.809  1.00 97.67           C  
+ATOM   4318  CD1 LEU B 746       9.402   2.282 -18.891  1.00 97.67           C  
+ATOM   4319  CD2 LEU B 746       7.640   0.557 -19.358  1.00 97.67           C  
+ATOM   4320  N   ALA B 747      10.415  -2.630 -21.532  1.00 96.35           N  
+ATOM   4321  CA  ALA B 747      11.327  -3.083 -22.579  1.00 96.35           C  
+ATOM   4322  C   ALA B 747      12.220  -1.943 -23.060  1.00 96.35           C  
+ATOM   4323  CB  ALA B 747      10.542  -3.670 -23.750  1.00 96.35           C  
+ATOM   4324  O   ALA B 747      11.838  -0.773 -22.985  1.00 96.35           O  
+ATOM   4325  N   PRO B 748      13.389  -2.286 -23.590  1.00 94.00           N  
+ATOM   4326  CA  PRO B 748      14.322  -1.253 -24.046  1.00 94.00           C  
+ATOM   4327  C   PRO B 748      13.702  -0.312 -25.076  1.00 94.00           C  
+ATOM   4328  CB  PRO B 748      15.467  -2.060 -24.663  1.00 94.00           C  
+ATOM   4329  O   PRO B 748      13.988   0.888 -25.072  1.00 94.00           O  
+ATOM   4330  CG  PRO B 748      15.447  -3.367 -23.938  1.00 94.00           C  
+ATOM   4331  CD  PRO B 748      14.022  -3.710 -23.612  1.00 94.00           C  
+ATOM   4332  N   ASP B 749      12.851  -0.745 -25.894  1.00 92.05           N  
+ATOM   4333  CA  ASP B 749      12.239   0.090 -26.922  1.00 92.05           C  
+ATOM   4334  C   ASP B 749      11.045   0.862 -26.365  1.00 92.05           C  
+ATOM   4335  CB  ASP B 749      11.804  -0.761 -28.117  1.00 92.05           C  
+ATOM   4336  O   ASP B 749      10.408   1.635 -27.083  1.00 92.05           O  
+ATOM   4337  CG  ASP B 749      10.775  -1.816 -27.749  1.00 92.05           C  
+ATOM   4338  OD1 ASP B 749      10.337  -1.859 -26.580  1.00 92.05           O  
+ATOM   4339  OD2 ASP B 749      10.402  -2.614 -28.637  1.00 92.05           O  
+ATOM   4340  N   THR B 750      10.579   0.538 -25.100  1.00 93.29           N  
+ATOM   4341  CA  THR B 750       9.554   1.236 -24.332  1.00 93.29           C  
+ATOM   4342  C   THR B 750       8.176   1.030 -24.956  1.00 93.29           C  
+ATOM   4343  CB  THR B 750       9.856   2.743 -24.237  1.00 93.29           C  
+ATOM   4344  O   THR B 750       7.230   1.752 -24.636  1.00 93.29           O  
+ATOM   4345  CG2 THR B 750      11.199   2.992 -23.556  1.00 93.29           C  
+ATOM   4346  OG1 THR B 750       9.891   3.302 -25.555  1.00 93.29           O  
+ATOM   4347  N   ARG B 751       8.081   0.052 -25.839  1.00 92.28           N  
+ATOM   4348  CA  ARG B 751       6.799  -0.264 -26.459  1.00 92.28           C  
+ATOM   4349  C   ARG B 751       6.046  -1.319 -25.655  1.00 92.28           C  
+ATOM   4350  CB  ARG B 751       7.002  -0.748 -27.897  1.00 92.28           C  
+ATOM   4351  O   ARG B 751       4.818  -1.404 -25.729  1.00 92.28           O  
+ATOM   4352  CG  ARG B 751       7.532   0.321 -28.838  1.00 92.28           C  
+ATOM   4353  CD  ARG B 751       7.641  -0.189 -30.268  1.00 92.28           C  
+ATOM   4354  NE  ARG B 751       8.248   0.803 -31.150  1.00 92.28           N  
+ATOM   4355  NH1 ARG B 751       7.875  -0.391 -33.092  1.00 92.28           N  
+ATOM   4356  NH2 ARG B 751       8.917   1.649 -33.178  1.00 92.28           N  
+ATOM   4357  CZ  ARG B 751       8.346   0.685 -32.471  1.00 92.28           C  
+ATOM   4358  N   LEU B 752       6.821  -2.107 -24.993  1.00 96.09           N  
+ATOM   4359  CA  LEU B 752       6.281  -3.187 -24.175  1.00 96.09           C  
+ATOM   4360  C   LEU B 752       6.679  -3.014 -22.713  1.00 96.09           C  
+ATOM   4361  CB  LEU B 752       6.767  -4.545 -24.690  1.00 96.09           C  
+ATOM   4362  O   LEU B 752       7.686  -2.367 -22.412  1.00 96.09           O  
+ATOM   4363  CG  LEU B 752       6.463  -4.862 -26.155  1.00 96.09           C  
+ATOM   4364  CD1 LEU B 752       7.171  -6.144 -26.578  1.00 96.09           C  
+ATOM   4365  CD2 LEU B 752       4.959  -4.978 -26.376  1.00 96.09           C  
+ATOM   4366  N   PHE B 753       5.834  -3.539 -21.869  1.00 97.92           N  
+ATOM   4367  CA  PHE B 753       6.279  -3.716 -20.492  1.00 97.92           C  
+ATOM   4368  C   PHE B 753       5.736  -5.015 -19.910  1.00 97.92           C  
+ATOM   4369  CB  PHE B 753       5.840  -2.530 -19.628  1.00 97.92           C  
+ATOM   4370  O   PHE B 753       4.767  -5.576 -20.426  1.00 97.92           O  
+ATOM   4371  CG  PHE B 753       4.372  -2.528 -19.299  1.00 97.92           C  
+ATOM   4372  CD1 PHE B 753       3.452  -1.950 -20.165  1.00 97.92           C  
+ATOM   4373  CD2 PHE B 753       3.911  -3.106 -18.123  1.00 97.92           C  
+ATOM   4374  CE1 PHE B 753       2.092  -1.947 -19.864  1.00 97.92           C  
+ATOM   4375  CE2 PHE B 753       2.553  -3.107 -17.815  1.00 97.92           C  
+ATOM   4376  CZ  PHE B 753       1.646  -2.527 -18.686  1.00 97.92           C  
+ATOM   4377  N   VAL B 754       6.478  -5.470 -18.918  1.00 98.54           N  
+ATOM   4378  CA  VAL B 754       6.069  -6.696 -18.240  1.00 98.54           C  
+ATOM   4379  C   VAL B 754       5.770  -6.400 -16.772  1.00 98.54           C  
+ATOM   4380  CB  VAL B 754       7.151  -7.794 -18.353  1.00 98.54           C  
+ATOM   4381  O   VAL B 754       6.426  -5.557 -16.156  1.00 98.54           O  
+ATOM   4382  CG1 VAL B 754       6.747  -9.033 -17.556  1.00 98.54           C  
+ATOM   4383  CG2 VAL B 754       7.395  -8.153 -19.818  1.00 98.54           C  
+ATOM   4384  N   SER B 755       4.703  -7.122 -16.300  1.00 98.58           N  
+ATOM   4385  CA  SER B 755       4.327  -6.951 -14.900  1.00 98.58           C  
+ATOM   4386  C   SER B 755       4.340  -8.284 -14.158  1.00 98.58           C  
+ATOM   4387  CB  SER B 755       2.942  -6.311 -14.792  1.00 98.58           C  
+ATOM   4388  O   SER B 755       4.087  -9.334 -14.753  1.00 98.58           O  
+ATOM   4389  OG  SER B 755       1.955  -7.146 -15.371  1.00 98.58           O  
+ATOM   4390  N   GLY B 756       4.704  -8.236 -12.864  1.00 98.36           N  
+ATOM   4391  CA  GLY B 756       4.606  -9.356 -11.942  1.00 98.36           C  
+ATOM   4392  C   GLY B 756       3.647  -9.102 -10.794  1.00 98.36           C  
+ATOM   4393  O   GLY B 756       3.618  -8.004 -10.234  1.00 98.36           O  
+ATOM   4394  N   ALA B 757       2.950 -10.218 -10.380  1.00 98.13           N  
+ATOM   4395  CA  ALA B 757       1.880  -9.956  -9.421  1.00 98.13           C  
+ATOM   4396  C   ALA B 757       1.776 -11.081  -8.395  1.00 98.13           C  
+ATOM   4397  CB  ALA B 757       0.548  -9.777 -10.146  1.00 98.13           C  
+ATOM   4398  O   ALA B 757       2.544 -12.044  -8.440  1.00 98.13           O  
+ATOM   4399  N   CYS B 758       0.814 -10.932  -7.437  1.00 96.19           N  
+ATOM   4400  CA  CYS B 758       0.574 -11.883  -6.357  1.00 96.19           C  
+ATOM   4401  C   CYS B 758      -0.279 -13.050  -6.839  1.00 96.19           C  
+ATOM   4402  CB  CYS B 758      -0.110 -11.193  -5.177  1.00 96.19           C  
+ATOM   4403  O   CYS B 758      -0.629 -13.934  -6.054  1.00 96.19           O  
+ATOM   4404  SG  CYS B 758       0.954 -10.025  -4.301  1.00 96.19           S  
+ATOM   4405  N   ASP B 759      -0.588 -13.089  -8.084  1.00 96.04           N  
+ATOM   4406  CA  ASP B 759      -1.276 -14.236  -8.667  1.00 96.04           C  
+ATOM   4407  C   ASP B 759      -0.281 -15.228  -9.266  1.00 96.04           C  
+ATOM   4408  CB  ASP B 759      -2.271 -13.780  -9.736  1.00 96.04           C  
+ATOM   4409  O   ASP B 759      -0.660 -16.096 -10.055  1.00 96.04           O  
+ATOM   4410  CG  ASP B 759      -1.611 -13.032 -10.881  1.00 96.04           C  
+ATOM   4411  OD1 ASP B 759      -0.363 -13.001 -10.949  1.00 96.04           O  
+ATOM   4412  OD2 ASP B 759      -2.344 -12.465 -11.720  1.00 96.04           O  
+ATOM   4413  N   ALA B 760       0.955 -15.039  -9.011  1.00 96.98           N  
+ATOM   4414  CA  ALA B 760       2.076 -15.906  -9.363  1.00 96.98           C  
+ATOM   4415  C   ALA B 760       2.313 -15.912 -10.870  1.00 96.98           C  
+ATOM   4416  CB  ALA B 760       1.828 -17.327  -8.861  1.00 96.98           C  
+ATOM   4417  O   ALA B 760       2.814 -16.894 -11.423  1.00 96.98           O  
+ATOM   4418  N   SER B 761       1.855 -14.866 -11.527  1.00 97.57           N  
+ATOM   4419  CA  SER B 761       2.034 -14.800 -12.974  1.00 97.57           C  
+ATOM   4420  C   SER B 761       2.710 -13.498 -13.388  1.00 97.57           C  
+ATOM   4421  CB  SER B 761       0.689 -14.936 -13.688  1.00 97.57           C  
+ATOM   4422  O   SER B 761       2.657 -12.505 -12.659  1.00 97.57           O  
+ATOM   4423  OG  SER B 761      -0.132 -13.809 -13.434  1.00 97.57           O  
+ATOM   4424  N   ALA B 762       3.461 -13.575 -14.495  1.00 98.43           N  
+ATOM   4425  CA  ALA B 762       3.975 -12.402 -15.198  1.00 98.43           C  
+ATOM   4426  C   ALA B 762       3.210 -12.162 -16.497  1.00 98.43           C  
+ATOM   4427  CB  ALA B 762       5.466 -12.565 -15.485  1.00 98.43           C  
+ATOM   4428  O   ALA B 762       2.906 -13.107 -17.229  1.00 98.43           O  
+ATOM   4429  N   LYS B 763       2.925 -10.893 -16.758  1.00 98.25           N  
+ATOM   4430  CA  LYS B 763       2.145 -10.582 -17.953  1.00 98.25           C  
+ATOM   4431  C   LYS B 763       2.847  -9.535 -18.812  1.00 98.25           C  
+ATOM   4432  CB  LYS B 763       0.747 -10.094 -17.569  1.00 98.25           C  
+ATOM   4433  O   LYS B 763       3.400  -8.565 -18.289  1.00 98.25           O  
+ATOM   4434  CG  LYS B 763      -0.158 -11.183 -17.013  1.00 98.25           C  
+ATOM   4435  CD  LYS B 763      -1.544 -10.643 -16.683  1.00 98.25           C  
+ATOM   4436  CE  LYS B 763      -2.444 -11.727 -16.104  1.00 98.25           C  
+ATOM   4437  NZ  LYS B 763      -2.851 -12.721 -17.142  1.00 98.25           N  
+ATOM   4438  N   LEU B 764       2.774  -9.766 -20.115  1.00 97.94           N  
+ATOM   4439  CA  LEU B 764       3.349  -8.869 -21.111  1.00 97.94           C  
+ATOM   4440  C   LEU B 764       2.279  -7.963 -21.710  1.00 97.94           C  
+ATOM   4441  CB  LEU B 764       4.035  -9.670 -22.221  1.00 97.94           C  
+ATOM   4442  O   LEU B 764       1.228  -8.439 -22.144  1.00 97.94           O  
+ATOM   4443  CG  LEU B 764       4.733  -8.856 -23.312  1.00 97.94           C  
+ATOM   4444  CD1 LEU B 764       5.980  -8.179 -22.753  1.00 97.94           C  
+ATOM   4445  CD2 LEU B 764       5.089  -9.746 -24.499  1.00 97.94           C  
+ATOM   4446  N   TRP B 765       2.635  -6.650 -21.716  1.00 97.59           N  
+ATOM   4447  CA  TRP B 765       1.658  -5.662 -22.163  1.00 97.59           C  
+ATOM   4448  C   TRP B 765       2.227  -4.807 -23.290  1.00 97.59           C  
+ATOM   4449  CB  TRP B 765       1.224  -4.770 -20.997  1.00 97.59           C  
+ATOM   4450  O   TRP B 765       3.416  -4.481 -23.292  1.00 97.59           O  
+ATOM   4451  CG  TRP B 765       0.913  -5.521 -19.738  1.00 97.59           C  
+ATOM   4452  CD1 TRP B 765       1.790  -5.871 -18.748  1.00 97.59           C  
+ATOM   4453  CD2 TRP B 765      -0.366  -6.021 -19.335  1.00 97.59           C  
+ATOM   4454  CE2 TRP B 765      -0.191  -6.663 -18.090  1.00 97.59           C  
+ATOM   4455  CE3 TRP B 765      -1.645  -5.987 -19.908  1.00 97.59           C  
+ATOM   4456  NE1 TRP B 765       1.132  -6.558 -17.754  1.00 97.59           N  
+ATOM   4457  CH2 TRP B 765      -2.489  -7.219 -17.988  1.00 97.59           C  
+ATOM   4458  CZ2 TRP B 765      -1.249  -7.267 -17.406  1.00 97.59           C  
+ATOM   4459  CZ3 TRP B 765      -2.696  -6.588 -19.225  1.00 97.59           C  
+ATOM   4460  N   ASP B 766       1.296  -4.524 -24.215  1.00 94.85           N  
+ATOM   4461  CA  ASP B 766       1.585  -3.473 -25.187  1.00 94.85           C  
+ATOM   4462  C   ASP B 766       1.075  -2.119 -24.699  1.00 94.85           C  
+ATOM   4463  CB  ASP B 766       0.963  -3.812 -26.543  1.00 94.85           C  
+ATOM   4464  O   ASP B 766      -0.121  -1.953 -24.449  1.00 94.85           O  
+ATOM   4465  CG  ASP B 766       1.474  -2.927 -27.667  1.00 94.85           C  
+ATOM   4466  OD1 ASP B 766       1.477  -1.686 -27.513  1.00 94.85           O  
+ATOM   4467  OD2 ASP B 766       1.875  -3.475 -28.717  1.00 94.85           O  
+ATOM   4468  N   VAL B 767       1.975  -1.175 -24.633  1.00 93.37           N  
+ATOM   4469  CA  VAL B 767       1.660   0.113 -24.025  1.00 93.37           C  
+ATOM   4470  C   VAL B 767       0.573   0.815 -24.835  1.00 93.37           C  
+ATOM   4471  CB  VAL B 767       2.911   1.013 -23.919  1.00 93.37           C  
+ATOM   4472  O   VAL B 767      -0.304   1.474 -24.270  1.00 93.37           O  
+ATOM   4473  CG1 VAL B 767       2.536   2.401 -23.403  1.00 93.37           C  
+ATOM   4474  CG2 VAL B 767       3.957   0.367 -23.013  1.00 93.37           C  
+ATOM   4475  N   ARG B 768       0.366   0.559 -26.112  1.00 88.84           N  
+ATOM   4476  CA  ARG B 768      -0.527   1.276 -27.017  1.00 88.84           C  
+ATOM   4477  C   ARG B 768      -1.910   0.636 -27.043  1.00 88.84           C  
+ATOM   4478  CB  ARG B 768       0.059   1.317 -28.430  1.00 88.84           C  
+ATOM   4479  O   ARG B 768      -2.921   1.333 -27.157  1.00 88.84           O  
+ATOM   4480  CG  ARG B 768       1.382   2.061 -28.527  1.00 88.84           C  
+ATOM   4481  CD  ARG B 768       2.014   1.910 -29.903  1.00 88.84           C  
+ATOM   4482  NE  ARG B 768       2.388   0.525 -30.176  1.00 88.84           N  
+ATOM   4483  NH1 ARG B 768       3.204   0.945 -32.296  1.00 88.84           N  
+ATOM   4484  NH2 ARG B 768       3.245  -1.185 -31.448  1.00 88.84           N  
+ATOM   4485  CZ  ARG B 768       2.945   0.098 -31.306  1.00 88.84           C  
+ATOM   4486  N   GLU B 769      -1.952  -0.674 -26.951  1.00 88.56           N  
+ATOM   4487  CA  GLU B 769      -3.186  -1.412 -27.204  1.00 88.56           C  
+ATOM   4488  C   GLU B 769      -3.962  -1.648 -25.912  1.00 88.56           C  
+ATOM   4489  CB  GLU B 769      -2.883  -2.748 -27.887  1.00 88.56           C  
+ATOM   4490  O   GLU B 769      -5.178  -1.848 -25.940  1.00 88.56           O  
+ATOM   4491  CG  GLU B 769      -2.290  -2.606 -29.281  1.00 88.56           C  
+ATOM   4492  CD  GLU B 769      -2.071  -3.939 -29.979  1.00 88.56           C  
+ATOM   4493  OE1 GLU B 769      -1.531  -3.951 -31.109  1.00 88.56           O  
+ATOM   4494  OE2 GLU B 769      -2.445  -4.979 -29.393  1.00 88.56           O  
+ATOM   4495  N   GLY B 770      -3.362  -1.651 -24.752  1.00 84.62           N  
+ATOM   4496  CA  GLY B 770      -3.978  -1.796 -23.442  1.00 84.62           C  
+ATOM   4497  C   GLY B 770      -4.399  -3.221 -23.136  1.00 84.62           C  
+ATOM   4498  O   GLY B 770      -5.199  -3.456 -22.228  1.00 84.62           O  
+ATOM   4499  N   MET B 771      -3.953  -4.230 -24.066  1.00 86.86           N  
+ATOM   4500  CA  MET B 771      -4.342  -5.614 -23.812  1.00 86.86           C  
+ATOM   4501  C   MET B 771      -3.123  -6.468 -23.478  1.00 86.86           C  
+ATOM   4502  CB  MET B 771      -5.075  -6.198 -25.020  1.00 86.86           C  
+ATOM   4503  O   MET B 771      -2.016  -6.186 -23.940  1.00 86.86           O  
+ATOM   4504  CG  MET B 771      -4.244  -6.214 -26.293  1.00 86.86           C  
+ATOM   4505  SD  MET B 771      -5.167  -6.895 -27.726  1.00 86.86           S  
+ATOM   4506  CE  MET B 771      -4.370  -5.986 -29.079  1.00 86.86           C  
+ATOM   4507  N   CYS B 772      -3.459  -7.464 -22.660  1.00 92.70           N  
+ATOM   4508  CA  CYS B 772      -2.420  -8.429 -22.320  1.00 92.70           C  
+ATOM   4509  C   CYS B 772      -2.075  -9.304 -23.520  1.00 92.70           C  
+ATOM   4510  CB  CYS B 772      -2.865  -9.305 -21.150  1.00 92.70           C  
+ATOM   4511  O   CYS B 772      -2.954  -9.939 -24.104  1.00 92.70           O  
+ATOM   4512  SG  CYS B 772      -1.665 -10.576 -20.694  1.00 92.70           S  
+ATOM   4513  N   ARG B 773      -0.729  -9.417 -23.895  1.00 93.95           N  
+ATOM   4514  CA  ARG B 773      -0.278 -10.161 -25.067  1.00 93.95           C  
+ATOM   4515  C   ARG B 773       0.090 -11.594 -24.697  1.00 93.95           C  
+ATOM   4516  CB  ARG B 773       0.918  -9.464 -25.718  1.00 93.95           C  
+ATOM   4517  O   ARG B 773      -0.186 -12.526 -25.455  1.00 93.95           O  
+ATOM   4518  CG  ARG B 773       0.581  -8.122 -26.349  1.00 93.95           C  
+ATOM   4519  CD  ARG B 773      -0.117  -8.290 -27.691  1.00 93.95           C  
+ATOM   4520  NE  ARG B 773      -0.203  -7.024 -28.415  1.00 93.95           N  
+ATOM   4521  NH1 ARG B 773       0.667  -7.855 -30.387  1.00 93.95           N  
+ATOM   4522  NH2 ARG B 773       0.049  -5.653 -30.240  1.00 93.95           N  
+ATOM   4523  CZ  ARG B 773       0.171  -6.847 -29.679  1.00 93.95           C  
+ATOM   4524  N   GLN B 774       0.742 -11.685 -23.566  1.00 94.50           N  
+ATOM   4525  CA  GLN B 774       1.182 -13.005 -23.125  1.00 94.50           C  
+ATOM   4526  C   GLN B 774       1.123 -13.125 -21.605  1.00 94.50           C  
+ATOM   4527  CB  GLN B 774       2.600 -13.291 -23.620  1.00 94.50           C  
+ATOM   4528  O   GLN B 774       1.256 -12.128 -20.893  1.00 94.50           O  
+ATOM   4529  CG  GLN B 774       2.717 -13.375 -25.136  1.00 94.50           C  
+ATOM   4530  CD  GLN B 774       4.143 -13.601 -25.603  1.00 94.50           C  
+ATOM   4531  NE2 GLN B 774       4.299 -14.342 -26.695  1.00 94.50           N  
+ATOM   4532  OE1 GLN B 774       5.097 -13.113 -24.988  1.00 94.50           O  
+ATOM   4533  N   THR B 775       0.801 -14.345 -21.163  1.00 95.24           N  
+ATOM   4534  CA  THR B 775       0.826 -14.662 -19.739  1.00 95.24           C  
+ATOM   4535  C   THR B 775       1.831 -15.774 -19.450  1.00 95.24           C  
+ATOM   4536  CB  THR B 775      -0.567 -15.083 -19.237  1.00 95.24           C  
+ATOM   4537  O   THR B 775       1.802 -16.826 -20.092  1.00 95.24           O  
+ATOM   4538  CG2 THR B 775      -0.538 -15.415 -17.748  1.00 95.24           C  
+ATOM   4539  OG1 THR B 775      -1.492 -14.011 -19.457  1.00 95.24           O  
+ATOM   4540  N   PHE B 776       2.767 -15.414 -18.514  1.00 96.04           N  
+ATOM   4541  CA  PHE B 776       3.795 -16.377 -18.137  1.00 96.04           C  
+ATOM   4542  C   PHE B 776       3.567 -16.885 -16.718  1.00 96.04           C  
+ATOM   4543  CB  PHE B 776       5.188 -15.750 -18.252  1.00 96.04           C  
+ATOM   4544  O   PHE B 776       3.465 -16.093 -15.779  1.00 96.04           O  
+ATOM   4545  CG  PHE B 776       5.527 -15.277 -19.640  1.00 96.04           C  
+ATOM   4546  CD1 PHE B 776       6.158 -16.123 -20.544  1.00 96.04           C  
+ATOM   4547  CD2 PHE B 776       5.214 -13.984 -20.041  1.00 96.04           C  
+ATOM   4548  CE1 PHE B 776       6.473 -15.687 -21.829  1.00 96.04           C  
+ATOM   4549  CE2 PHE B 776       5.526 -13.541 -21.323  1.00 96.04           C  
+ATOM   4550  CZ  PHE B 776       6.156 -14.394 -22.215  1.00 96.04           C  
+ATOM   4551  N   THR B 777       3.522 -18.248 -16.608  1.00 93.97           N  
+ATOM   4552  CA  THR B 777       3.331 -18.922 -15.328  1.00 93.97           C  
+ATOM   4553  C   THR B 777       4.520 -19.823 -15.008  1.00 93.97           C  
+ATOM   4554  CB  THR B 777       2.036 -19.755 -15.324  1.00 93.97           C  
+ATOM   4555  O   THR B 777       5.363 -20.077 -15.871  1.00 93.97           O  
+ATOM   4556  CG2 THR B 777       0.815 -18.875 -15.571  1.00 93.97           C  
+ATOM   4557  OG1 THR B 777       2.111 -20.750 -16.353  1.00 93.97           O  
+ATOM   4558  N   GLY B 778       4.687 -20.205 -13.722  1.00 91.99           N  
+ATOM   4559  CA  GLY B 778       5.779 -21.073 -13.310  1.00 91.99           C  
+ATOM   4560  C   GLY B 778       6.126 -20.940 -11.840  1.00 91.99           C  
+ATOM   4561  O   GLY B 778       6.409 -21.936 -11.171  1.00 91.99           O  
+ATOM   4562  N   HIS B 779       5.958 -19.813 -11.329  1.00 97.17           N  
+ATOM   4563  CA  HIS B 779       6.231 -19.601  -9.912  1.00 97.17           C  
+ATOM   4564  C   HIS B 779       5.105 -20.154  -9.045  1.00 97.17           C  
+ATOM   4565  CB  HIS B 779       6.435 -18.113  -9.622  1.00 97.17           C  
+ATOM   4566  O   HIS B 779       3.962 -20.260  -9.497  1.00 97.17           O  
+ATOM   4567  CG  HIS B 779       7.798 -17.614  -9.980  1.00 97.17           C  
+ATOM   4568  CD2 HIS B 779       8.199 -16.703 -10.899  1.00 97.17           C  
+ATOM   4569  ND1 HIS B 779       8.943 -18.064  -9.358  1.00 97.17           N  
+ATOM   4570  CE1 HIS B 779       9.991 -17.450  -9.880  1.00 97.17           C  
+ATOM   4571  NE2 HIS B 779       9.567 -16.619 -10.817  1.00 97.17           N  
+ATOM   4572  N   GLU B 780       5.388 -20.499  -7.817  1.00 94.43           N  
+ATOM   4573  CA  GLU B 780       4.414 -21.061  -6.886  1.00 94.43           C  
+ATOM   4574  C   GLU B 780       3.965 -20.022  -5.862  1.00 94.43           C  
+ATOM   4575  CB  GLU B 780       4.995 -22.285  -6.173  1.00 94.43           C  
+ATOM   4576  O   GLU B 780       3.182 -20.329  -4.961  1.00 94.43           O  
+ATOM   4577  CG  GLU B 780       5.332 -23.439  -7.107  1.00 94.43           C  
+ATOM   4578  CD  GLU B 780       5.903 -24.648  -6.384  1.00 94.43           C  
+ATOM   4579  OE1 GLU B 780       6.148 -25.687  -7.040  1.00 94.43           O  
+ATOM   4580  OE2 GLU B 780       6.106 -24.557  -5.153  1.00 94.43           O  
+ATOM   4581  N   SER B 781       4.601 -18.893  -5.912  1.00 96.11           N  
+ATOM   4582  CA  SER B 781       4.279 -17.818  -4.980  1.00 96.11           C  
+ATOM   4583  C   SER B 781       4.311 -16.459  -5.670  1.00 96.11           C  
+ATOM   4584  CB  SER B 781       5.252 -17.823  -3.800  1.00 96.11           C  
+ATOM   4585  O   SER B 781       4.367 -16.383  -6.900  1.00 96.11           O  
+ATOM   4586  OG  SER B 781       4.763 -17.018  -2.741  1.00 96.11           O  
+ATOM   4587  N   ASP B 782       4.189 -15.285  -4.915  1.00 97.00           N  
+ATOM   4588  CA  ASP B 782       4.130 -13.914  -5.413  1.00 97.00           C  
+ATOM   4589  C   ASP B 782       5.394 -13.558  -6.192  1.00 97.00           C  
+ATOM   4590  CB  ASP B 782       3.930 -12.931  -4.257  1.00 97.00           C  
+ATOM   4591  O   ASP B 782       6.501 -13.917  -5.787  1.00 97.00           O  
+ATOM   4592  CG  ASP B 782       2.650 -13.183  -3.480  1.00 97.00           C  
+ATOM   4593  OD1 ASP B 782       1.837 -14.034  -3.901  1.00 97.00           O  
+ATOM   4594  OD2 ASP B 782       2.451 -12.521  -2.438  1.00 97.00           O  
+ATOM   4595  N   ILE B 783       5.228 -12.938  -7.321  1.00 98.24           N  
+ATOM   4596  CA  ILE B 783       6.344 -12.383  -8.080  1.00 98.24           C  
+ATOM   4597  C   ILE B 783       6.625 -10.956  -7.613  1.00 98.24           C  
+ATOM   4598  CB  ILE B 783       6.061 -12.404  -9.599  1.00 98.24           C  
+ATOM   4599  O   ILE B 783       5.870 -10.033  -7.928  1.00 98.24           O  
+ATOM   4600  CG1 ILE B 783       5.858 -13.844 -10.084  1.00 98.24           C  
+ATOM   4601  CG2 ILE B 783       7.195 -11.721 -10.369  1.00 98.24           C  
+ATOM   4602  CD1 ILE B 783       5.490 -13.954 -11.557  1.00 98.24           C  
+ATOM   4603  N   ASN B 784       7.764 -10.794  -6.944  1.00 97.24           N  
+ATOM   4604  CA  ASN B 784       8.071  -9.530  -6.283  1.00 97.24           C  
+ATOM   4605  C   ASN B 784       8.899  -8.614  -7.179  1.00 97.24           C  
+ATOM   4606  CB  ASN B 784       8.799  -9.780  -4.961  1.00 97.24           C  
+ATOM   4607  O   ASN B 784       8.939  -7.401  -6.967  1.00 97.24           O  
+ATOM   4608  CG  ASN B 784       7.959 -10.559  -3.969  1.00 97.24           C  
+ATOM   4609  ND2 ASN B 784       8.572 -11.536  -3.311  1.00 97.24           N  
+ATOM   4610  OD1 ASN B 784       6.768 -10.287  -3.795  1.00 97.24           O  
+ATOM   4611  N   ALA B 785       9.664  -9.195  -8.113  1.00 97.64           N  
+ATOM   4612  CA  ALA B 785      10.579  -8.396  -8.924  1.00 97.64           C  
+ATOM   4613  C   ALA B 785      10.629  -8.908 -10.360  1.00 97.64           C  
+ATOM   4614  CB  ALA B 785      11.977  -8.403  -8.311  1.00 97.64           C  
+ATOM   4615  O   ALA B 785      10.589 -10.118 -10.596  1.00 97.64           O  
+ATOM   4616  N   ILE B 786      10.703  -7.959 -11.258  1.00 98.01           N  
+ATOM   4617  CA  ILE B 786      10.755  -8.288 -12.678  1.00 98.01           C  
+ATOM   4618  C   ILE B 786      11.742  -7.363 -13.387  1.00 98.01           C  
+ATOM   4619  CB  ILE B 786       9.360  -8.186 -13.334  1.00 98.01           C  
+ATOM   4620  O   ILE B 786      11.839  -6.178 -13.057  1.00 98.01           O  
+ATOM   4621  CG1 ILE B 786       9.354  -8.897 -14.692  1.00 98.01           C  
+ATOM   4622  CG2 ILE B 786       8.938  -6.721 -13.480  1.00 98.01           C  
+ATOM   4623  CD1 ILE B 786       7.962  -9.233 -15.209  1.00 98.01           C  
+ATOM   4624  N   CYS B 787      12.482  -7.967 -14.381  1.00 97.88           N  
+ATOM   4625  CA  CYS B 787      13.420  -7.151 -15.144  1.00 97.88           C  
+ATOM   4626  C   CYS B 787      13.577  -7.683 -16.564  1.00 97.88           C  
+ATOM   4627  CB  CYS B 787      14.782  -7.111 -14.451  1.00 97.88           C  
+ATOM   4628  O   CYS B 787      13.784  -8.881 -16.763  1.00 97.88           O  
+ATOM   4629  SG  CYS B 787      16.027  -6.158 -15.347  1.00 97.88           S  
+ATOM   4630  N   PHE B 788      13.505  -6.783 -17.507  1.00 98.16           N  
+ATOM   4631  CA  PHE B 788      13.729  -7.162 -18.897  1.00 98.16           C  
+ATOM   4632  C   PHE B 788      15.194  -7.509 -19.134  1.00 98.16           C  
+ATOM   4633  CB  PHE B 788      13.297  -6.034 -19.839  1.00 98.16           C  
+ATOM   4634  O   PHE B 788      16.086  -6.902 -18.537  1.00 98.16           O  
+ATOM   4635  CG  PHE B 788      11.930  -6.232 -20.437  1.00 98.16           C  
+ATOM   4636  CD1 PHE B 788      11.730  -7.151 -21.459  1.00 98.16           C  
+ATOM   4637  CD2 PHE B 788      10.845  -5.498 -19.976  1.00 98.16           C  
+ATOM   4638  CE1 PHE B 788      10.466  -7.337 -22.014  1.00 98.16           C  
+ATOM   4639  CE2 PHE B 788       9.579  -5.678 -20.525  1.00 98.16           C  
+ATOM   4640  CZ  PHE B 788       9.392  -6.597 -21.545  1.00 98.16           C  
+ATOM   4641  N   PHE B 789      15.318  -8.500 -19.971  1.00 97.42           N  
+ATOM   4642  CA  PHE B 789      16.644  -8.783 -20.508  1.00 97.42           C  
+ATOM   4643  C   PHE B 789      17.122  -7.642 -21.398  1.00 97.42           C  
+ATOM   4644  CB  PHE B 789      16.638 -10.097 -21.295  1.00 97.42           C  
+ATOM   4645  O   PHE B 789      16.319  -6.998 -22.076  1.00 97.42           O  
+ATOM   4646  CG  PHE B 789      18.005 -10.693 -21.493  1.00 97.42           C  
+ATOM   4647  CD1 PHE B 789      18.673 -10.549 -22.703  1.00 97.42           C  
+ATOM   4648  CD2 PHE B 789      18.623 -11.397 -20.468  1.00 97.42           C  
+ATOM   4649  CE1 PHE B 789      19.939 -11.100 -22.888  1.00 97.42           C  
+ATOM   4650  CE2 PHE B 789      19.888 -11.951 -20.646  1.00 97.42           C  
+ATOM   4651  CZ  PHE B 789      20.544 -11.802 -21.857  1.00 97.42           C  
+ATOM   4652  N   PRO B 790      18.463  -7.414 -21.421  1.00 96.36           N  
+ATOM   4653  CA  PRO B 790      18.996  -6.220 -22.080  1.00 96.36           C  
+ATOM   4654  C   PRO B 790      18.604  -6.135 -23.554  1.00 96.36           C  
+ATOM   4655  CB  PRO B 790      20.510  -6.377 -21.925  1.00 96.36           C  
+ATOM   4656  O   PRO B 790      18.386  -5.039 -24.076  1.00 96.36           O  
+ATOM   4657  CG  PRO B 790      20.688  -7.116 -20.639  1.00 96.36           C  
+ATOM   4658  CD  PRO B 790      19.595  -8.139 -20.521  1.00 96.36           C  
+ATOM   4659  N   ASN B 791      18.411  -7.199 -24.237  1.00 94.77           N  
+ATOM   4660  CA  ASN B 791      18.094  -7.129 -25.660  1.00 94.77           C  
+ATOM   4661  C   ASN B 791      16.591  -7.010 -25.894  1.00 94.77           C  
+ATOM   4662  CB  ASN B 791      18.651  -8.350 -26.394  1.00 94.77           C  
+ATOM   4663  O   ASN B 791      16.143  -6.900 -27.036  1.00 94.77           O  
+ATOM   4664  CG  ASN B 791      18.016  -9.648 -25.935  1.00 94.77           C  
+ATOM   4665  ND2 ASN B 791      18.535 -10.768 -26.425  1.00 94.77           N  
+ATOM   4666  OD1 ASN B 791      17.066  -9.644 -25.148  1.00 94.77           O  
+ATOM   4667  N   GLY B 792      15.827  -7.237 -24.818  1.00 96.10           N  
+ATOM   4668  CA  GLY B 792      14.396  -6.992 -24.892  1.00 96.10           C  
+ATOM   4669  C   GLY B 792      13.602  -8.215 -25.311  1.00 96.10           C  
+ATOM   4670  O   GLY B 792      12.382  -8.143 -25.474  1.00 96.10           O  
+ATOM   4671  N   ASN B 793      14.221  -9.281 -25.484  1.00 96.01           N  
+ATOM   4672  CA  ASN B 793      13.548 -10.470 -25.995  1.00 96.01           C  
+ATOM   4673  C   ASN B 793      13.233 -11.459 -24.876  1.00 96.01           C  
+ATOM   4674  CB  ASN B 793      14.396 -11.143 -27.076  1.00 96.01           C  
+ATOM   4675  O   ASN B 793      12.633 -12.508 -25.120  1.00 96.01           O  
+ATOM   4676  CG  ASN B 793      14.491 -10.316 -28.343  1.00 96.01           C  
+ATOM   4677  ND2 ASN B 793      15.599 -10.457 -29.061  1.00 96.01           N  
+ATOM   4678  OD1 ASN B 793      13.578  -9.556 -28.673  1.00 96.01           O  
+ATOM   4679  N   ALA B 794      13.664 -11.193 -23.704  1.00 97.22           N  
+ATOM   4680  CA  ALA B 794      13.438 -12.039 -22.536  1.00 97.22           C  
+ATOM   4681  C   ALA B 794      13.324 -11.202 -21.265  1.00 97.22           C  
+ATOM   4682  CB  ALA B 794      14.562 -13.063 -22.395  1.00 97.22           C  
+ATOM   4683  O   ALA B 794      13.566  -9.993 -21.288  1.00 97.22           O  
+ATOM   4684  N   PHE B 795      12.895 -11.868 -20.233  1.00 98.42           N  
+ATOM   4685  CA  PHE B 795      12.840 -11.187 -18.945  1.00 98.42           C  
+ATOM   4686  C   PHE B 795      12.998 -12.179 -17.799  1.00 98.42           C  
+ATOM   4687  CB  PHE B 795      11.522 -10.420 -18.797  1.00 98.42           C  
+ATOM   4688  O   PHE B 795      12.805 -13.383 -17.983  1.00 98.42           O  
+ATOM   4689  CG  PHE B 795      10.305 -11.305 -18.772  1.00 98.42           C  
+ATOM   4690  CD1 PHE B 795       9.684 -11.691 -19.953  1.00 98.42           C  
+ATOM   4691  CD2 PHE B 795       9.781 -11.751 -17.565  1.00 98.42           C  
+ATOM   4692  CE1 PHE B 795       8.557 -12.510 -19.933  1.00 98.42           C  
+ATOM   4693  CE2 PHE B 795       8.656 -12.569 -17.536  1.00 98.42           C  
+ATOM   4694  CZ  PHE B 795       8.044 -12.947 -18.721  1.00 98.42           C  
+ATOM   4695  N   ALA B 796      13.403 -11.606 -16.642  1.00 98.47           N  
+ATOM   4696  CA  ALA B 796      13.569 -12.440 -15.455  1.00 98.47           C  
+ATOM   4697  C   ALA B 796      12.608 -12.015 -14.348  1.00 98.47           C  
+ATOM   4698  CB  ALA B 796      15.011 -12.376 -14.957  1.00 98.47           C  
+ATOM   4699  O   ALA B 796      12.247 -10.841 -14.248  1.00 98.47           O  
+ATOM   4700  N   THR B 797      12.260 -13.034 -13.566  1.00 98.70           N  
+ATOM   4701  CA  THR B 797      11.368 -12.791 -12.437  1.00 98.70           C  
+ATOM   4702  C   THR B 797      11.990 -13.296 -11.138  1.00 98.70           C  
+ATOM   4703  CB  THR B 797      10.000 -13.464 -12.650  1.00 98.70           C  
+ATOM   4704  O   THR B 797      12.752 -14.265 -11.144  1.00 98.70           O  
+ATOM   4705  CG2 THR B 797       9.316 -12.934 -13.906  1.00 98.70           C  
+ATOM   4706  OG1 THR B 797      10.186 -14.879 -12.782  1.00 98.70           O  
+ATOM   4707  N   GLY B 798      11.675 -12.622 -10.051  1.00 98.29           N  
+ATOM   4708  CA  GLY B 798      11.980 -13.047  -8.694  1.00 98.29           C  
+ATOM   4709  C   GLY B 798      10.743 -13.228  -7.833  1.00 98.29           C  
+ATOM   4710  O   GLY B 798       9.895 -12.336  -7.761  1.00 98.29           O  
+ATOM   4711  N   SER B 799      10.719 -14.308  -7.030  1.00 98.13           N  
+ATOM   4712  CA  SER B 799       9.480 -14.670  -6.350  1.00 98.13           C  
+ATOM   4713  C   SER B 799       9.734 -15.025  -4.889  1.00 98.13           C  
+ATOM   4714  CB  SER B 799       8.803 -15.844  -7.058  1.00 98.13           C  
+ATOM   4715  O   SER B 799      10.877 -15.262  -4.492  1.00 98.13           O  
+ATOM   4716  OG  SER B 799       7.691 -16.309  -6.311  1.00 98.13           O  
+ATOM   4717  N   ASP B 800       8.593 -15.098  -4.151  1.00 95.31           N  
+ATOM   4718  CA  ASP B 800       8.620 -15.514  -2.752  1.00 95.31           C  
+ATOM   4719  C   ASP B 800       8.902 -17.010  -2.629  1.00 95.31           C  
+ATOM   4720  CB  ASP B 800       7.297 -15.170  -2.064  1.00 95.31           C  
+ATOM   4721  O   ASP B 800       9.099 -17.521  -1.525  1.00 95.31           O  
+ATOM   4722  CG  ASP B 800       7.200 -13.709  -1.663  1.00 95.31           C  
+ATOM   4723  OD1 ASP B 800       8.235 -13.008  -1.654  1.00 95.31           O  
+ATOM   4724  OD2 ASP B 800       6.078 -13.254  -1.351  1.00 95.31           O  
+ATOM   4725  N   ASP B 801       8.913 -17.699  -3.708  1.00 95.50           N  
+ATOM   4726  CA  ASP B 801       9.236 -19.123  -3.672  1.00 95.50           C  
+ATOM   4727  C   ASP B 801      10.746 -19.344  -3.695  1.00 95.50           C  
+ATOM   4728  CB  ASP B 801       8.579 -19.851  -4.847  1.00 95.50           C  
+ATOM   4729  O   ASP B 801      11.211 -20.465  -3.915  1.00 95.50           O  
+ATOM   4730  CG  ASP B 801       9.142 -19.431  -6.194  1.00 95.50           C  
+ATOM   4731  OD1 ASP B 801      10.128 -18.663  -6.231  1.00 95.50           O  
+ATOM   4732  OD2 ASP B 801       8.593 -19.870  -7.228  1.00 95.50           O  
+ATOM   4733  N   ALA B 802      11.474 -18.308  -3.608  1.00 95.13           N  
+ATOM   4734  CA  ALA B 802      12.924 -18.282  -3.432  1.00 95.13           C  
+ATOM   4735  C   ALA B 802      13.641 -18.620  -4.736  1.00 95.13           C  
+ATOM   4736  CB  ALA B 802      13.344 -19.251  -2.330  1.00 95.13           C  
+ATOM   4737  O   ALA B 802      14.779 -19.095  -4.720  1.00 95.13           O  
+ATOM   4738  N   THR B 803      12.980 -18.424  -5.861  1.00 97.45           N  
+ATOM   4739  CA  THR B 803      13.594 -18.711  -7.153  1.00 97.45           C  
+ATOM   4740  C   THR B 803      13.493 -17.503  -8.080  1.00 97.45           C  
+ATOM   4741  CB  THR B 803      12.939 -19.933  -7.823  1.00 97.45           C  
+ATOM   4742  O   THR B 803      12.609 -16.660  -7.916  1.00 97.45           O  
+ATOM   4743  CG2 THR B 803      12.953 -21.143  -6.894  1.00 97.45           C  
+ATOM   4744  OG1 THR B 803      11.582 -19.617  -8.158  1.00 97.45           O  
+ATOM   4745  N   CYS B 804      14.531 -17.374  -8.999  1.00 98.31           N  
+ATOM   4746  CA  CYS B 804      14.420 -16.532 -10.184  1.00 98.31           C  
+ATOM   4747  C   CYS B 804      14.144 -17.372 -11.426  1.00 98.31           C  
+ATOM   4748  CB  CYS B 804      15.697 -15.716 -10.384  1.00 98.31           C  
+ATOM   4749  O   CYS B 804      14.613 -18.507 -11.530  1.00 98.31           O  
+ATOM   4750  SG  CYS B 804      16.040 -14.560  -9.039  1.00 98.31           S  
+ATOM   4751  N   ARG B 805      13.382 -16.781 -12.275  1.00 98.22           N  
+ATOM   4752  CA  ARG B 805      13.098 -17.499 -13.513  1.00 98.22           C  
+ATOM   4753  C   ARG B 805      13.320 -16.605 -14.728  1.00 98.22           C  
+ATOM   4754  CB  ARG B 805      11.664 -18.032 -13.509  1.00 98.22           C  
+ATOM   4755  O   ARG B 805      13.002 -15.414 -14.696  1.00 98.22           O  
+ATOM   4756  CG  ARG B 805      11.402 -19.089 -12.448  1.00 98.22           C  
+ATOM   4757  CD  ARG B 805      10.049 -19.759 -12.641  1.00 98.22           C  
+ATOM   4758  NE  ARG B 805       9.852 -20.858 -11.699  1.00 98.22           N  
+ATOM   4759  NH1 ARG B 805       8.089 -21.804 -12.853  1.00 98.22           N  
+ATOM   4760  NH2 ARG B 805       8.835 -22.758 -10.906  1.00 98.22           N  
+ATOM   4761  CZ  ARG B 805       8.926 -21.804 -11.822  1.00 98.22           C  
+ATOM   4762  N   LEU B 806      13.855 -17.233 -15.774  1.00 98.03           N  
+ATOM   4763  CA  LEU B 806      14.088 -16.558 -17.046  1.00 98.03           C  
+ATOM   4764  C   LEU B 806      13.085 -17.018 -18.098  1.00 98.03           C  
+ATOM   4765  CB  LEU B 806      15.515 -16.818 -17.536  1.00 98.03           C  
+ATOM   4766  O   LEU B 806      12.945 -18.217 -18.346  1.00 98.03           O  
+ATOM   4767  CG  LEU B 806      15.918 -16.133 -18.844  1.00 98.03           C  
+ATOM   4768  CD1 LEU B 806      15.915 -14.618 -18.671  1.00 98.03           C  
+ATOM   4769  CD2 LEU B 806      17.287 -16.622 -19.304  1.00 98.03           C  
+ATOM   4770  N   PHE B 807      12.430 -16.002 -18.673  1.00 96.91           N  
+ATOM   4771  CA  PHE B 807      11.419 -16.276 -19.687  1.00 96.91           C  
+ATOM   4772  C   PHE B 807      11.805 -15.646 -21.020  1.00 96.91           C  
+ATOM   4773  CB  PHE B 807      10.050 -15.755 -19.237  1.00 96.91           C  
+ATOM   4774  O   PHE B 807      12.333 -14.533 -21.057  1.00 96.91           O  
+ATOM   4775  CG  PHE B 807       9.547 -16.389 -17.969  1.00 96.91           C  
+ATOM   4776  CD1 PHE B 807       8.741 -17.521 -18.013  1.00 96.91           C  
+ATOM   4777  CD2 PHE B 807       9.879 -15.853 -16.731  1.00 96.91           C  
+ATOM   4778  CE1 PHE B 807       8.274 -18.110 -16.840  1.00 96.91           C  
+ATOM   4779  CE2 PHE B 807       9.415 -16.436 -15.555  1.00 96.91           C  
+ATOM   4780  CZ  PHE B 807       8.612 -17.564 -15.612  1.00 96.91           C  
+ATOM   4781  N   ASP B 808      11.465 -16.345 -22.066  1.00 94.25           N  
+ATOM   4782  CA  ASP B 808      11.694 -15.841 -23.416  1.00 94.25           C  
+ATOM   4783  C   ASP B 808      10.377 -15.475 -24.096  1.00 94.25           C  
+ATOM   4784  CB  ASP B 808      12.450 -16.874 -24.254  1.00 94.25           C  
+ATOM   4785  O   ASP B 808       9.438 -16.273 -24.113  1.00 94.25           O  
+ATOM   4786  CG  ASP B 808      12.896 -16.333 -25.601  1.00 94.25           C  
+ATOM   4787  OD1 ASP B 808      12.188 -16.546 -26.609  1.00 94.25           O  
+ATOM   4788  OD2 ASP B 808      13.967 -15.691 -25.656  1.00 94.25           O  
+ATOM   4789  N   LEU B 809      10.374 -14.276 -24.676  1.00 94.25           N  
+ATOM   4790  CA  LEU B 809       9.142 -13.761 -25.265  1.00 94.25           C  
+ATOM   4791  C   LEU B 809       8.808 -14.498 -26.558  1.00 94.25           C  
+ATOM   4792  CB  LEU B 809       9.265 -12.259 -25.537  1.00 94.25           C  
+ATOM   4793  O   LEU B 809       7.638 -14.757 -26.845  1.00 94.25           O  
+ATOM   4794  CG  LEU B 809       9.486 -11.365 -24.316  1.00 94.25           C  
+ATOM   4795  CD1 LEU B 809       9.584  -9.903 -24.740  1.00 94.25           C  
+ATOM   4796  CD2 LEU B 809       8.364 -11.559 -23.301  1.00 94.25           C  
+ATOM   4797  N   ARG B 810       9.773 -14.924 -27.296  1.00 91.16           N  
+ATOM   4798  CA  ARG B 810       9.580 -15.539 -28.605  1.00 91.16           C  
+ATOM   4799  C   ARG B 810       9.158 -16.998 -28.467  1.00 91.16           C  
+ATOM   4800  CB  ARG B 810      10.857 -15.439 -29.441  1.00 91.16           C  
+ATOM   4801  O   ARG B 810       8.305 -17.477 -29.216  1.00 91.16           O  
+ATOM   4802  CG  ARG B 810      11.329 -14.013 -29.678  1.00 91.16           C  
+ATOM   4803  CD  ARG B 810      12.754 -13.972 -30.210  1.00 91.16           C  
+ATOM   4804  NE  ARG B 810      13.700 -14.557 -29.264  1.00 91.16           N  
+ATOM   4805  NH1 ARG B 810      15.552 -14.255 -30.611  1.00 91.16           N  
+ATOM   4806  NH2 ARG B 810      15.776 -15.227 -28.547  1.00 91.16           N  
+ATOM   4807  CZ  ARG B 810      15.007 -14.679 -29.476  1.00 91.16           C  
+ATOM   4808  N   ALA B 811       9.790 -17.560 -27.493  1.00 89.04           N  
+ATOM   4809  CA  ALA B 811       9.497 -18.972 -27.259  1.00 89.04           C  
+ATOM   4810  C   ALA B 811       8.229 -19.138 -26.427  1.00 89.04           C  
+ATOM   4811  CB  ALA B 811      10.676 -19.653 -26.569  1.00 89.04           C  
+ATOM   4812  O   ALA B 811       7.687 -20.241 -26.323  1.00 89.04           O  
+ATOM   4813  N   ASP B 812       7.748 -18.038 -25.896  1.00 90.22           N  
+ATOM   4814  CA  ASP B 812       6.568 -18.011 -25.037  1.00 90.22           C  
+ATOM   4815  C   ASP B 812       6.667 -19.065 -23.936  1.00 90.22           C  
+ATOM   4816  CB  ASP B 812       5.298 -18.228 -25.861  1.00 90.22           C  
+ATOM   4817  O   ASP B 812       5.703 -19.787 -23.673  1.00 90.22           O  
+ATOM   4818  CG  ASP B 812       4.034 -17.834 -25.117  1.00 90.22           C  
+ATOM   4819  OD1 ASP B 812       4.087 -16.921 -24.265  1.00 90.22           O  
+ATOM   4820  OD2 ASP B 812       2.976 -18.444 -25.384  1.00 90.22           O  
+ATOM   4821  N   GLN B 813       7.843 -19.150 -23.259  1.00 89.76           N  
+ATOM   4822  CA  GLN B 813       8.004 -20.122 -22.184  1.00 89.76           C  
+ATOM   4823  C   GLN B 813       9.189 -19.765 -21.291  1.00 89.76           C  
+ATOM   4824  CB  GLN B 813       8.184 -21.530 -22.755  1.00 89.76           C  
+ATOM   4825  O   GLN B 813      10.005 -18.912 -21.646  1.00 89.76           O  
+ATOM   4826  CG  GLN B 813       9.434 -21.693 -23.608  1.00 89.76           C  
+ATOM   4827  CD  GLN B 813       9.538 -23.068 -24.241  1.00 89.76           C  
+ATOM   4828  NE2 GLN B 813      10.386 -23.191 -25.256  1.00 89.76           N  
+ATOM   4829  OE1 GLN B 813       8.862 -24.012 -23.821  1.00 89.76           O  
+ATOM   4830  N   GLU B 814       9.231 -20.515 -20.190  1.00 93.15           N  
+ATOM   4831  CA  GLU B 814      10.332 -20.404 -19.238  1.00 93.15           C  
+ATOM   4832  C   GLU B 814      11.590 -21.086 -19.767  1.00 93.15           C  
+ATOM   4833  CB  GLU B 814       9.936 -21.004 -17.886  1.00 93.15           C  
+ATOM   4834  O   GLU B 814      11.525 -22.200 -20.292  1.00 93.15           O  
+ATOM   4835  CG  GLU B 814      11.063 -21.011 -16.863  1.00 93.15           C  
+ATOM   4836  CD  GLU B 814      10.723 -21.789 -15.602  1.00 93.15           C  
+ATOM   4837  OE1 GLU B 814      11.638 -22.391 -14.995  1.00 93.15           O  
+ATOM   4838  OE2 GLU B 814       9.532 -21.797 -15.218  1.00 93.15           O  
+ATOM   4839  N   LEU B 815      12.798 -20.403 -19.650  1.00 93.34           N  
+ATOM   4840  CA  LEU B 815      14.048 -20.950 -20.166  1.00 93.34           C  
+ATOM   4841  C   LEU B 815      14.871 -21.577 -19.046  1.00 93.34           C  
+ATOM   4842  CB  LEU B 815      14.864 -19.857 -20.864  1.00 93.34           C  
+ATOM   4843  O   LEU B 815      15.496 -22.622 -19.240  1.00 93.34           O  
+ATOM   4844  CG  LEU B 815      14.264 -19.277 -22.145  1.00 93.34           C  
+ATOM   4845  CD1 LEU B 815      15.222 -18.268 -22.769  1.00 93.34           C  
+ATOM   4846  CD2 LEU B 815      13.935 -20.391 -23.134  1.00 93.34           C  
+ATOM   4847  N   MET B 816      14.827 -20.956 -17.905  1.00 95.27           N  
+ATOM   4848  CA  MET B 816      15.758 -21.367 -16.857  1.00 95.27           C  
+ATOM   4849  C   MET B 816      15.247 -20.951 -15.482  1.00 95.27           C  
+ATOM   4850  CB  MET B 816      17.144 -20.768 -17.103  1.00 95.27           C  
+ATOM   4851  O   MET B 816      14.549 -19.945 -15.352  1.00 95.27           O  
+ATOM   4852  CG  MET B 816      18.220 -21.312 -16.178  1.00 95.27           C  
+ATOM   4853  SD  MET B 816      19.863 -21.408 -16.990  1.00 95.27           S  
+ATOM   4854  CE  MET B 816      19.614 -22.866 -18.041  1.00 95.27           C  
+ATOM   4855  N   THR B 817      15.595 -21.789 -14.475  1.00 96.90           N  
+ATOM   4856  CA  THR B 817      15.320 -21.494 -13.073  1.00 96.90           C  
+ATOM   4857  C   THR B 817      16.619 -21.363 -12.283  1.00 96.90           C  
+ATOM   4858  CB  THR B 817      14.436 -22.582 -12.436  1.00 96.90           C  
+ATOM   4859  O   THR B 817      17.517 -22.198 -12.412  1.00 96.90           O  
+ATOM   4860  CG2 THR B 817      14.089 -22.233 -10.992  1.00 96.90           C  
+ATOM   4861  OG1 THR B 817      13.224 -22.707 -13.190  1.00 96.90           O  
+ATOM   4862  N   TYR B 818      16.675 -20.259 -11.535  1.00 97.15           N  
+ATOM   4863  CA  TYR B 818      17.834 -20.008 -10.687  1.00 97.15           C  
+ATOM   4864  C   TYR B 818      17.492 -20.224  -9.218  1.00 97.15           C  
+ATOM   4865  CB  TYR B 818      18.355 -18.583 -10.897  1.00 97.15           C  
+ATOM   4866  O   TYR B 818      16.722 -19.458  -8.634  1.00 97.15           O  
+ATOM   4867  CG  TYR B 818      18.561 -18.219 -12.348  1.00 97.15           C  
+ATOM   4868  CD1 TYR B 818      19.809 -18.360 -12.951  1.00 97.15           C  
+ATOM   4869  CD2 TYR B 818      17.509 -17.735 -13.117  1.00 97.15           C  
+ATOM   4870  CE1 TYR B 818      20.004 -18.024 -14.286  1.00 97.15           C  
+ATOM   4871  CE2 TYR B 818      17.693 -17.396 -14.454  1.00 97.15           C  
+ATOM   4872  OH  TYR B 818      19.129 -17.211 -16.352  1.00 97.15           O  
+ATOM   4873  CZ  TYR B 818      18.942 -17.545 -15.029  1.00 97.15           C  
+ATOM   4874  N   SER B 819      18.106 -21.281  -8.631  1.00 95.73           N  
+ATOM   4875  CA  SER B 819      17.823 -21.631  -7.243  1.00 95.73           C  
+ATOM   4876  C   SER B 819      19.027 -22.295  -6.583  1.00 95.73           C  
+ATOM   4877  CB  SER B 819      16.610 -22.558  -7.160  1.00 95.73           C  
+ATOM   4878  O   SER B 819      19.936 -22.767  -7.270  1.00 95.73           O  
+ATOM   4879  OG  SER B 819      16.876 -23.793  -7.803  1.00 95.73           O  
+ATOM   4880  N   HIS B 820      19.067 -22.158  -5.291  1.00 92.14           N  
+ATOM   4881  CA  HIS B 820      20.085 -22.802  -4.469  1.00 92.14           C  
+ATOM   4882  C   HIS B 820      19.481 -23.371  -3.189  1.00 92.14           C  
+ATOM   4883  CB  HIS B 820      21.202 -21.813  -4.128  1.00 92.14           C  
+ATOM   4884  O   HIS B 820      18.546 -22.795  -2.630  1.00 92.14           O  
+ATOM   4885  CG  HIS B 820      22.465 -22.470  -3.671  1.00 92.14           C  
+ATOM   4886  CD2 HIS B 820      23.659 -22.629  -4.290  1.00 92.14           C  
+ATOM   4887  ND1 HIS B 820      22.590 -23.062  -2.433  1.00 92.14           N  
+ATOM   4888  CE1 HIS B 820      23.811 -23.558  -2.310  1.00 92.14           C  
+ATOM   4889  NE2 HIS B 820      24.479 -23.308  -3.423  1.00 92.14           N  
+ATOM   4890  N   ASP B 821      20.012 -24.564  -2.706  1.00 88.78           N  
+ATOM   4891  CA  ASP B 821      19.476 -25.295  -1.562  1.00 88.78           C  
+ATOM   4892  C   ASP B 821      19.564 -24.460  -0.286  1.00 88.78           C  
+ATOM   4893  CB  ASP B 821      20.219 -26.620  -1.375  1.00 88.78           C  
+ATOM   4894  O   ASP B 821      18.734 -24.603   0.614  1.00 88.78           O  
+ATOM   4895  CG  ASP B 821      19.913 -27.630  -2.467  1.00 88.78           C  
+ATOM   4896  OD1 ASP B 821      18.874 -27.495  -3.150  1.00 88.78           O  
+ATOM   4897  OD2 ASP B 821      20.715 -28.573  -2.644  1.00 88.78           O  
+ATOM   4898  N   ASN B 822      20.440 -23.543  -0.253  1.00 87.16           N  
+ATOM   4899  CA  ASN B 822      20.656 -22.765   0.963  1.00 87.16           C  
+ATOM   4900  C   ASN B 822      19.845 -21.473   0.953  1.00 87.16           C  
+ATOM   4901  CB  ASN B 822      22.144 -22.457   1.145  1.00 87.16           C  
+ATOM   4902  O   ASN B 822      19.778 -20.769   1.962  1.00 87.16           O  
+ATOM   4903  CG  ASN B 822      22.965 -23.696   1.441  1.00 87.16           C  
+ATOM   4904  ND2 ASN B 822      24.243 -23.659   1.084  1.00 87.16           N  
+ATOM   4905  OD1 ASN B 822      22.455 -24.679   1.984  1.00 87.16           O  
+ATOM   4906  N   ILE B 823      19.227 -21.187  -0.164  1.00 88.43           N  
+ATOM   4907  CA  ILE B 823      18.428 -19.970  -0.264  1.00 88.43           C  
+ATOM   4908  C   ILE B 823      16.949 -20.308  -0.087  1.00 88.43           C  
+ATOM   4909  CB  ILE B 823      18.657 -19.253  -1.613  1.00 88.43           C  
+ATOM   4910  O   ILE B 823      16.344 -20.944  -0.953  1.00 88.43           O  
+ATOM   4911  CG1 ILE B 823      20.135 -18.879  -1.775  1.00 88.43           C  
+ATOM   4912  CG2 ILE B 823      17.763 -18.015  -1.725  1.00 88.43           C  
+ATOM   4913  CD1 ILE B 823      20.482 -18.308  -3.143  1.00 88.43           C  
+ATOM   4914  N   ILE B 824      16.404 -19.878   1.073  1.00 87.43           N  
+ATOM   4915  CA  ILE B 824      15.018 -20.236   1.352  1.00 87.43           C  
+ATOM   4916  C   ILE B 824      14.174 -18.970   1.484  1.00 87.43           C  
+ATOM   4917  CB  ILE B 824      14.902 -21.094   2.631  1.00 87.43           C  
+ATOM   4918  O   ILE B 824      12.954 -19.044   1.646  1.00 87.43           O  
+ATOM   4919  CG1 ILE B 824      15.593 -20.394   3.808  1.00 87.43           C  
+ATOM   4920  CG2 ILE B 824      15.490 -22.489   2.402  1.00 87.43           C  
+ATOM   4921  CD1 ILE B 824      15.358 -21.068   5.153  1.00 87.43           C  
+ATOM   4922  N   CYS B 825      14.812 -17.870   1.332  1.00 88.79           N  
+ATOM   4923  CA  CYS B 825      14.092 -16.614   1.509  1.00 88.79           C  
+ATOM   4924  C   CYS B 825      13.641 -16.050   0.167  1.00 88.79           C  
+ATOM   4925  CB  CYS B 825      14.968 -15.592   2.233  1.00 88.79           C  
+ATOM   4926  O   CYS B 825      14.195 -16.401  -0.877  1.00 88.79           O  
+ATOM   4927  SG  CYS B 825      16.659 -15.507   1.606  1.00 88.79           S  
+ATOM   4928  N   GLY B 826      12.599 -15.225   0.189  1.00 91.70           N  
+ATOM   4929  CA  GLY B 826      12.021 -14.649  -1.015  1.00 91.70           C  
+ATOM   4930  C   GLY B 826      12.918 -13.617  -1.672  1.00 91.70           C  
+ATOM   4931  O   GLY B 826      13.733 -12.979  -1.003  1.00 91.70           O  
+ATOM   4932  N   ILE B 827      12.815 -13.505  -2.952  1.00 96.88           N  
+ATOM   4933  CA  ILE B 827      13.578 -12.563  -3.764  1.00 96.88           C  
+ATOM   4934  C   ILE B 827      12.872 -11.208  -3.782  1.00 96.88           C  
+ATOM   4935  CB  ILE B 827      13.770 -13.086  -5.205  1.00 96.88           C  
+ATOM   4936  O   ILE B 827      11.664 -11.134  -4.017  1.00 96.88           O  
+ATOM   4937  CG1 ILE B 827      14.574 -14.391  -5.197  1.00 96.88           C  
+ATOM   4938  CG2 ILE B 827      14.453 -12.028  -6.077  1.00 96.88           C  
+ATOM   4939  CD1 ILE B 827      13.750 -15.628  -5.526  1.00 96.88           C  
+ATOM   4940  N   THR B 828      13.655 -10.153  -3.568  1.00 96.76           N  
+ATOM   4941  CA  THR B 828      13.048  -8.835  -3.426  1.00 96.76           C  
+ATOM   4942  C   THR B 828      13.333  -7.973  -4.652  1.00 96.76           C  
+ATOM   4943  CB  THR B 828      13.558  -8.118  -2.162  1.00 96.76           C  
+ATOM   4944  O   THR B 828      12.604  -7.019  -4.930  1.00 96.76           O  
+ATOM   4945  CG2 THR B 828      13.100  -8.839  -0.898  1.00 96.76           C  
+ATOM   4946  OG1 THR B 828      14.990  -8.082  -2.185  1.00 96.76           O  
+ATOM   4947  N   SER B 829      14.443  -8.164  -5.318  1.00 97.71           N  
+ATOM   4948  CA  SER B 829      14.832  -7.361  -6.473  1.00 97.71           C  
+ATOM   4949  C   SER B 829      15.693  -8.166  -7.441  1.00 97.71           C  
+ATOM   4950  CB  SER B 829      15.587  -6.109  -6.026  1.00 97.71           C  
+ATOM   4951  O   SER B 829      16.402  -9.087  -7.030  1.00 97.71           O  
+ATOM   4952  OG  SER B 829      16.760  -6.457  -5.311  1.00 97.71           O  
+ATOM   4953  N   VAL B 830      15.577  -7.840  -8.736  1.00 98.18           N  
+ATOM   4954  CA  VAL B 830      16.351  -8.533  -9.760  1.00 98.18           C  
+ATOM   4955  C   VAL B 830      16.861  -7.529 -10.790  1.00 98.18           C  
+ATOM   4956  CB  VAL B 830      15.517  -9.633 -10.455  1.00 98.18           C  
+ATOM   4957  O   VAL B 830      16.194  -6.532 -11.079  1.00 98.18           O  
+ATOM   4958  CG1 VAL B 830      15.217 -10.776  -9.487  1.00 98.18           C  
+ATOM   4959  CG2 VAL B 830      14.221  -9.046 -11.012  1.00 98.18           C  
+ATOM   4960  N   SER B 831      18.074  -7.778 -11.310  1.00 98.27           N  
+ATOM   4961  CA  SER B 831      18.651  -6.965 -12.375  1.00 98.27           C  
+ATOM   4962  C   SER B 831      19.685  -7.753 -13.173  1.00 98.27           C  
+ATOM   4963  CB  SER B 831      19.293  -5.703 -11.799  1.00 98.27           C  
+ATOM   4964  O   SER B 831      20.306  -8.680 -12.649  1.00 98.27           O  
+ATOM   4965  OG  SER B 831      19.612  -4.785 -12.830  1.00 98.27           O  
+ATOM   4966  N   PHE B 832      19.829  -7.378 -14.457  1.00 98.24           N  
+ATOM   4967  CA  PHE B 832      20.825  -8.009 -15.316  1.00 98.24           C  
+ATOM   4968  C   PHE B 832      22.050  -7.116 -15.470  1.00 98.24           C  
+ATOM   4969  CB  PHE B 832      20.228  -8.324 -16.691  1.00 98.24           C  
+ATOM   4970  O   PHE B 832      21.935  -5.889 -15.470  1.00 98.24           O  
+ATOM   4971  CG  PHE B 832      19.448  -9.610 -16.734  1.00 98.24           C  
+ATOM   4972  CD1 PHE B 832      20.096 -10.836 -16.650  1.00 98.24           C  
+ATOM   4973  CD2 PHE B 832      18.065  -9.592 -16.858  1.00 98.24           C  
+ATOM   4974  CE1 PHE B 832      19.376 -12.028 -16.689  1.00 98.24           C  
+ATOM   4975  CE2 PHE B 832      17.339 -10.779 -16.899  1.00 98.24           C  
+ATOM   4976  CZ  PHE B 832      17.996 -11.996 -16.815  1.00 98.24           C  
+ATOM   4977  N   SER B 833      23.143  -7.836 -15.625  1.00 97.03           N  
+ATOM   4978  CA  SER B 833      24.283  -7.117 -16.185  1.00 97.03           C  
+ATOM   4979  C   SER B 833      24.013  -6.688 -17.624  1.00 97.03           C  
+ATOM   4980  CB  SER B 833      25.542  -7.982 -16.131  1.00 97.03           C  
+ATOM   4981  O   SER B 833      23.179  -7.284 -18.309  1.00 97.03           O  
+ATOM   4982  OG  SER B 833      25.407  -9.121 -16.965  1.00 97.03           O  
+ATOM   4983  N   LYS B 834      24.753  -5.658 -18.043  1.00 94.91           N  
+ATOM   4984  CA  LYS B 834      24.477  -5.137 -19.379  1.00 94.91           C  
+ATOM   4985  C   LYS B 834      24.871  -6.146 -20.454  1.00 94.91           C  
+ATOM   4986  CB  LYS B 834      25.216  -3.817 -19.604  1.00 94.91           C  
+ATOM   4987  O   LYS B 834      24.301  -6.150 -21.548  1.00 94.91           O  
+ATOM   4988  CG  LYS B 834      24.661  -2.653 -18.796  1.00 94.91           C  
+ATOM   4989  CD  LYS B 834      23.171  -2.460 -19.044  1.00 94.91           C  
+ATOM   4990  CE  LYS B 834      22.582  -1.403 -18.119  1.00 94.91           C  
+ATOM   4991  NZ  LYS B 834      21.106  -1.266 -18.304  1.00 94.91           N  
+ATOM   4992  N   SER B 835      25.774  -7.031 -20.169  1.00 94.62           N  
+ATOM   4993  CA  SER B 835      26.146  -8.100 -21.091  1.00 94.62           C  
+ATOM   4994  C   SER B 835      25.077  -9.186 -21.138  1.00 94.62           C  
+ATOM   4995  CB  SER B 835      27.488  -8.712 -20.688  1.00 94.62           C  
+ATOM   4996  O   SER B 835      25.011  -9.958 -22.097  1.00 94.62           O  
+ATOM   4997  OG  SER B 835      27.374  -9.413 -19.462  1.00 94.62           O  
+ATOM   4998  N   GLY B 836      24.260  -9.212 -20.071  1.00 95.33           N  
+ATOM   4999  CA  GLY B 836      23.257 -10.257 -19.940  1.00 95.33           C  
+ATOM   5000  C   GLY B 836      23.811 -11.548 -19.369  1.00 95.33           C  
+ATOM   5001  O   GLY B 836      23.085 -12.535 -19.232  1.00 95.33           O  
+ATOM   5002  N   ARG B 837      25.070 -11.495 -19.004  1.00 95.66           N  
+ATOM   5003  CA  ARG B 837      25.771 -12.695 -18.556  1.00 95.66           C  
+ATOM   5004  C   ARG B 837      25.535 -12.943 -17.070  1.00 95.66           C  
+ATOM   5005  CB  ARG B 837      27.271 -12.578 -18.836  1.00 95.66           C  
+ATOM   5006  O   ARG B 837      25.657 -14.076 -16.598  1.00 95.66           O  
+ATOM   5007  CG  ARG B 837      28.069 -13.809 -18.439  1.00 95.66           C  
+ATOM   5008  CD  ARG B 837      27.690 -15.022 -19.278  1.00 95.66           C  
+ATOM   5009  NE  ARG B 837      28.512 -16.183 -18.949  1.00 95.66           N  
+ATOM   5010  NH1 ARG B 837      27.735 -17.486 -20.692  1.00 95.66           N  
+ATOM   5011  NH2 ARG B 837      29.303 -18.319 -19.242  1.00 95.66           N  
+ATOM   5012  CZ  ARG B 837      28.515 -17.327 -19.628  1.00 95.66           C  
+ATOM   5013  N   LEU B 838      25.187 -11.940 -16.351  1.00 97.57           N  
+ATOM   5014  CA  LEU B 838      24.957 -12.063 -14.916  1.00 97.57           C  
+ATOM   5015  C   LEU B 838      23.532 -11.654 -14.556  1.00 97.57           C  
+ATOM   5016  CB  LEU B 838      25.958 -11.207 -14.136  1.00 97.57           C  
+ATOM   5017  O   LEU B 838      23.006 -10.680 -15.099  1.00 97.57           O  
+ATOM   5018  CG  LEU B 838      27.439 -11.478 -14.410  1.00 97.57           C  
+ATOM   5019  CD1 LEU B 838      28.310 -10.505 -13.621  1.00 97.57           C  
+ATOM   5020  CD2 LEU B 838      27.792 -12.920 -14.065  1.00 97.57           C  
+ATOM   5021  N   LEU B 839      22.939 -12.469 -13.739  1.00 98.27           N  
+ATOM   5022  CA  LEU B 839      21.686 -12.118 -13.079  1.00 98.27           C  
+ATOM   5023  C   LEU B 839      21.910 -11.848 -11.595  1.00 98.27           C  
+ATOM   5024  CB  LEU B 839      20.656 -13.236 -13.257  1.00 98.27           C  
+ATOM   5025  O   LEU B 839      22.409 -12.713 -10.871  1.00 98.27           O  
+ATOM   5026  CG  LEU B 839      19.331 -13.061 -12.512  1.00 98.27           C  
+ATOM   5027  CD1 LEU B 839      18.553 -11.881 -13.084  1.00 98.27           C  
+ATOM   5028  CD2 LEU B 839      18.503 -14.340 -12.587  1.00 98.27           C  
+ATOM   5029  N   LEU B 840      21.577 -10.607 -11.202  1.00 98.34           N  
+ATOM   5030  CA  LEU B 840      21.700 -10.214  -9.803  1.00 98.34           C  
+ATOM   5031  C   LEU B 840      20.342 -10.242  -9.109  1.00 98.34           C  
+ATOM   5032  CB  LEU B 840      22.315  -8.817  -9.690  1.00 98.34           C  
+ATOM   5033  O   LEU B 840      19.357  -9.725  -9.643  1.00 98.34           O  
+ATOM   5034  CG  LEU B 840      23.687  -8.626 -10.339  1.00 98.34           C  
+ATOM   5035  CD1 LEU B 840      23.542  -7.933 -11.691  1.00 98.34           C  
+ATOM   5036  CD2 LEU B 840      24.607  -7.830  -9.421  1.00 98.34           C  
+ATOM   5037  N   ALA B 841      20.352 -10.870  -7.894  1.00 98.27           N  
+ATOM   5038  CA  ALA B 841      19.088 -10.980  -7.172  1.00 98.27           C  
+ATOM   5039  C   ALA B 841      19.270 -10.652  -5.693  1.00 98.27           C  
+ATOM   5040  CB  ALA B 841      18.502 -12.381  -7.334  1.00 98.27           C  
+ATOM   5041  O   ALA B 841      20.122 -11.238  -5.021  1.00 98.27           O  
+ATOM   5042  N   GLY B 842      18.465  -9.709  -5.220  1.00 97.34           N  
+ATOM   5043  CA  GLY B 842      18.423  -9.394  -3.801  1.00 97.34           C  
+ATOM   5044  C   GLY B 842      17.450 -10.262  -3.026  1.00 97.34           C  
+ATOM   5045  O   GLY B 842      16.396 -10.637  -3.543  1.00 97.34           O  
+ATOM   5046  N   TYR B 843      17.850 -10.507  -1.757  1.00 93.72           N  
+ATOM   5047  CA  TYR B 843      17.050 -11.438  -0.969  1.00 93.72           C  
+ATOM   5048  C   TYR B 843      16.711 -10.846   0.394  1.00 93.72           C  
+ATOM   5049  CB  TYR B 843      17.791 -12.767  -0.791  1.00 93.72           C  
+ATOM   5050  O   TYR B 843      17.311  -9.854   0.814  1.00 93.72           O  
+ATOM   5051  CG  TYR B 843      17.935 -13.557  -2.070  1.00 93.72           C  
+ATOM   5052  CD1 TYR B 843      17.092 -14.631  -2.346  1.00 93.72           C  
+ATOM   5053  CD2 TYR B 843      18.914 -13.231  -3.002  1.00 93.72           C  
+ATOM   5054  CE1 TYR B 843      17.223 -15.363  -3.522  1.00 93.72           C  
+ATOM   5055  CE2 TYR B 843      19.053 -13.957  -4.181  1.00 93.72           C  
+ATOM   5056  OH  TYR B 843      18.337 -15.740  -5.597  1.00 93.72           O  
+ATOM   5057  CZ  TYR B 843      18.204 -15.019  -4.432  1.00 93.72           C  
+ATOM   5058  N   ASP B 844      15.819 -11.556   1.096  1.00 89.08           N  
+ATOM   5059  CA  ASP B 844      15.366 -11.174   2.430  1.00 89.08           C  
+ATOM   5060  C   ASP B 844      16.430 -11.482   3.481  1.00 89.08           C  
+ATOM   5061  CB  ASP B 844      14.060 -11.891   2.779  1.00 89.08           C  
+ATOM   5062  O   ASP B 844      16.406 -10.923   4.579  1.00 89.08           O  
+ATOM   5063  CG  ASP B 844      12.829 -11.162   2.270  1.00 89.08           C  
+ATOM   5064  OD1 ASP B 844      12.962 -10.042   1.732  1.00 89.08           O  
+ATOM   5065  OD2 ASP B 844      11.715 -11.711   2.411  1.00 89.08           O  
+ATOM   5066  N   ASP B 845      17.353 -12.283   3.174  1.00 89.64           N  
+ATOM   5067  CA  ASP B 845      18.379 -12.692   4.128  1.00 89.64           C  
+ATOM   5068  C   ASP B 845      19.588 -11.760   4.068  1.00 89.64           C  
+ATOM   5069  CB  ASP B 845      18.814 -14.134   3.863  1.00 89.64           C  
+ATOM   5070  O   ASP B 845      20.703 -12.158   4.411  1.00 89.64           O  
+ATOM   5071  CG  ASP B 845      19.480 -14.314   2.510  1.00 89.64           C  
+ATOM   5072  OD1 ASP B 845      19.373 -13.411   1.653  1.00 89.64           O  
+ATOM   5073  OD2 ASP B 845      20.114 -15.371   2.298  1.00 89.64           O  
+ATOM   5074  N   PHE B 846      19.483 -10.615   3.390  1.00 92.80           N  
+ATOM   5075  CA  PHE B 846      20.454  -9.528   3.431  1.00 92.80           C  
+ATOM   5076  C   PHE B 846      21.421  -9.622   2.257  1.00 92.80           C  
+ATOM   5077  CB  PHE B 846      21.229  -9.548   4.752  1.00 92.80           C  
+ATOM   5078  O   PHE B 846      22.223  -8.713   2.032  1.00 92.80           O  
+ATOM   5079  CG  PHE B 846      20.354  -9.698   5.967  1.00 92.80           C  
+ATOM   5080  CD1 PHE B 846      18.974  -9.564   5.868  1.00 92.80           C  
+ATOM   5081  CD2 PHE B 846      20.911  -9.973   7.209  1.00 92.80           C  
+ATOM   5082  CE1 PHE B 846      18.161  -9.703   6.991  1.00 92.80           C  
+ATOM   5083  CE2 PHE B 846      20.105 -10.113   8.336  1.00 92.80           C  
+ATOM   5084  CZ  PHE B 846      18.731  -9.977   8.224  1.00 92.80           C  
+ATOM   5085  N   ASN B 847      21.368 -10.752   1.578  1.00 93.84           N  
+ATOM   5086  CA  ASN B 847      22.356 -10.996   0.533  1.00 93.84           C  
+ATOM   5087  C   ASN B 847      21.800 -10.677  -0.851  1.00 93.84           C  
+ATOM   5088  CB  ASN B 847      22.847 -12.445   0.587  1.00 93.84           C  
+ATOM   5089  O   ASN B 847      20.585 -10.700  -1.057  1.00 93.84           O  
+ATOM   5090  CG  ASN B 847      23.570 -12.769   1.880  1.00 93.84           C  
+ATOM   5091  ND2 ASN B 847      23.329 -13.961   2.411  1.00 93.84           N  
+ATOM   5092  OD1 ASN B 847      24.338 -11.953   2.397  1.00 93.84           O  
+ATOM   5093  N   CYS B 848      22.770 -10.328  -1.729  1.00 96.64           N  
+ATOM   5094  CA  CYS B 848      22.518 -10.290  -3.165  1.00 96.64           C  
+ATOM   5095  C   CYS B 848      23.303 -11.379  -3.886  1.00 96.64           C  
+ATOM   5096  CB  CYS B 848      22.883  -8.921  -3.737  1.00 96.64           C  
+ATOM   5097  O   CYS B 848      24.535 -11.381  -3.862  1.00 96.64           O  
+ATOM   5098  SG  CYS B 848      22.539  -8.755  -5.503  1.00 96.64           S  
+ATOM   5099  N   ASN B 849      22.549 -12.266  -4.493  1.00 96.87           N  
+ATOM   5100  CA  ASN B 849      23.195 -13.370  -5.196  1.00 96.87           C  
+ATOM   5101  C   ASN B 849      23.425 -13.039  -6.668  1.00 96.87           C  
+ATOM   5102  CB  ASN B 849      22.368 -14.650  -5.062  1.00 96.87           C  
+ATOM   5103  O   ASN B 849      22.566 -12.439  -7.315  1.00 96.87           O  
+ATOM   5104  CG  ASN B 849      22.370 -15.201  -3.649  1.00 96.87           C  
+ATOM   5105  ND2 ASN B 849      21.332 -14.879  -2.886  1.00 96.87           N  
+ATOM   5106  OD1 ASN B 849      23.296 -15.909  -3.248  1.00 96.87           O  
+ATOM   5107  N   VAL B 850      24.582 -13.428  -7.160  1.00 97.73           N  
+ATOM   5108  CA  VAL B 850      24.958 -13.247  -8.558  1.00 97.73           C  
+ATOM   5109  C   VAL B 850      24.960 -14.598  -9.271  1.00 97.73           C  
+ATOM   5110  CB  VAL B 850      26.341 -12.571  -8.692  1.00 97.73           C  
+ATOM   5111  O   VAL B 850      25.673 -15.519  -8.867  1.00 97.73           O  
+ATOM   5112  CG1 VAL B 850      26.650 -12.261 -10.155  1.00 97.73           C  
+ATOM   5113  CG2 VAL B 850      26.395 -11.299  -7.849  1.00 97.73           C  
+ATOM   5114  N   TRP B 851      24.106 -14.659 -10.299  1.00 97.82           N  
+ATOM   5115  CA  TRP B 851      23.951 -15.918 -11.020  1.00 97.82           C  
+ATOM   5116  C   TRP B 851      24.563 -15.826 -12.414  1.00 97.82           C  
+ATOM   5117  CB  TRP B 851      22.472 -16.301 -11.122  1.00 97.82           C  
+ATOM   5118  O   TRP B 851      24.542 -14.763 -13.039  1.00 97.82           O  
+ATOM   5119  CG  TRP B 851      21.768 -16.367  -9.801  1.00 97.82           C  
+ATOM   5120  CD1 TRP B 851      21.092 -15.356  -9.175  1.00 97.82           C  
+ATOM   5121  CD2 TRP B 851      21.674 -17.506  -8.939  1.00 97.82           C  
+ATOM   5122  CE2 TRP B 851      20.925 -17.113  -7.807  1.00 97.82           C  
+ATOM   5123  CE3 TRP B 851      22.150 -18.822  -9.015  1.00 97.82           C  
+ATOM   5124  NE1 TRP B 851      20.583 -15.799  -7.976  1.00 97.82           N  
+ATOM   5125  CH2 TRP B 851      21.119 -19.272  -6.858  1.00 97.82           C  
+ATOM   5126  CZ2 TRP B 851      20.642 -17.991  -6.758  1.00 97.82           C  
+ATOM   5127  CZ3 TRP B 851      21.866 -19.694  -7.970  1.00 97.82           C  
+ATOM   5128  N   ASP B 852      25.088 -16.942 -12.805  1.00 97.15           N  
+ATOM   5129  CA  ASP B 852      25.362 -17.122 -14.227  1.00 97.15           C  
+ATOM   5130  C   ASP B 852      24.070 -17.333 -15.014  1.00 97.15           C  
+ATOM   5131  CB  ASP B 852      26.310 -18.304 -14.445  1.00 97.15           C  
+ATOM   5132  O   ASP B 852      23.447 -18.392 -14.921  1.00 97.15           O  
+ATOM   5133  CG  ASP B 852      26.797 -18.417 -15.879  1.00 97.15           C  
+ATOM   5134  OD1 ASP B 852      26.074 -17.988 -16.804  1.00 97.15           O  
+ATOM   5135  OD2 ASP B 852      27.912 -18.942 -16.086  1.00 97.15           O  
+ATOM   5136  N   ALA B 853      23.780 -16.388 -15.832  1.00 96.21           N  
+ATOM   5137  CA  ALA B 853      22.472 -16.355 -16.482  1.00 96.21           C  
+ATOM   5138  C   ALA B 853      22.303 -17.536 -17.434  1.00 96.21           C  
+ATOM   5139  CB  ALA B 853      22.284 -15.039 -17.233  1.00 96.21           C  
+ATOM   5140  O   ALA B 853      21.193 -18.041 -17.615  1.00 96.21           O  
+ATOM   5141  N   LEU B 854      23.375 -18.065 -17.973  1.00 94.79           N  
+ATOM   5142  CA  LEU B 854      23.304 -19.095 -19.004  1.00 94.79           C  
+ATOM   5143  C   LEU B 854      23.431 -20.486 -18.392  1.00 94.79           C  
+ATOM   5144  CB  LEU B 854      24.401 -18.882 -20.051  1.00 94.79           C  
+ATOM   5145  O   LEU B 854      22.937 -21.465 -18.957  1.00 94.79           O  
+ATOM   5146  CG  LEU B 854      24.313 -17.596 -20.873  1.00 94.79           C  
+ATOM   5147  CD1 LEU B 854      25.439 -17.546 -21.901  1.00 94.79           C  
+ATOM   5148  CD2 LEU B 854      22.954 -17.488 -21.555  1.00 94.79           C  
+ATOM   5149  N   LYS B 855      24.028 -20.589 -17.142  1.00 94.04           N  
+ATOM   5150  CA  LYS B 855      24.341 -21.903 -16.587  1.00 94.04           C  
+ATOM   5151  C   LYS B 855      23.583 -22.144 -15.284  1.00 94.04           C  
+ATOM   5152  CB  LYS B 855      25.845 -22.043 -16.351  1.00 94.04           C  
+ATOM   5153  O   LYS B 855      23.586 -23.257 -14.755  1.00 94.04           O  
+ATOM   5154  CG  LYS B 855      26.679 -21.989 -17.623  1.00 94.04           C  
+ATOM   5155  CD  LYS B 855      26.537 -23.268 -18.439  1.00 94.04           C  
+ATOM   5156  CE  LYS B 855      27.491 -23.284 -19.625  1.00 94.04           C  
+ATOM   5157  NZ  LYS B 855      27.388 -24.556 -20.402  1.00 94.04           N  
+ATOM   5158  N   ALA B 856      23.026 -21.145 -14.743  1.00 94.33           N  
+ATOM   5159  CA  ALA B 856      22.215 -21.176 -13.529  1.00 94.33           C  
+ATOM   5160  C   ALA B 856      23.065 -21.526 -12.311  1.00 94.33           C  
+ATOM   5161  CB  ALA B 856      21.070 -22.174 -13.679  1.00 94.33           C  
+ATOM   5162  O   ALA B 856      22.565 -22.102 -11.342  1.00 94.33           O  
+ATOM   5163  N   ASP B 857      24.390 -21.275 -12.461  1.00 94.13           N  
+ATOM   5164  CA  ASP B 857      25.292 -21.451 -11.327  1.00 94.13           C  
+ATOM   5165  C   ASP B 857      25.425 -20.158 -10.525  1.00 94.13           C  
+ATOM   5166  CB  ASP B 857      26.669 -21.918 -11.805  1.00 94.13           C  
+ATOM   5167  O   ASP B 857      25.456 -19.067 -11.097  1.00 94.13           O  
+ATOM   5168  CG  ASP B 857      26.638 -23.291 -12.452  1.00 94.13           C  
+ATOM   5169  OD1 ASP B 857      25.731 -24.092 -12.139  1.00 94.13           O  
+ATOM   5170  OD2 ASP B 857      27.531 -23.576 -13.279  1.00 94.13           O  
+ATOM   5171  N   ARG B 858      25.428 -20.366  -9.196  1.00 95.00           N  
+ATOM   5172  CA  ARG B 858      25.687 -19.216  -8.335  1.00 95.00           C  
+ATOM   5173  C   ARG B 858      27.142 -18.772  -8.437  1.00 95.00           C  
+ATOM   5174  CB  ARG B 858      25.341 -19.544  -6.881  1.00 95.00           C  
+ATOM   5175  O   ARG B 858      28.046 -19.477  -7.983  1.00 95.00           O  
+ATOM   5176  CG  ARG B 858      25.372 -18.340  -5.953  1.00 95.00           C  
+ATOM   5177  CD  ARG B 858      24.868 -18.689  -4.560  1.00 95.00           C  
+ATOM   5178  NE  ARG B 858      25.854 -19.460  -3.808  1.00 95.00           N  
+ATOM   5179  NH1 ARG B 858      24.603 -19.559  -1.868  1.00 95.00           N  
+ATOM   5180  NH2 ARG B 858      26.667 -20.553  -1.959  1.00 95.00           N  
+ATOM   5181  CZ  ARG B 858      25.706 -19.855  -2.547  1.00 95.00           C  
+ATOM   5182  N   ALA B 859      27.334 -17.593  -9.097  1.00 96.00           N  
+ATOM   5183  CA  ALA B 859      28.675 -17.108  -9.413  1.00 96.00           C  
+ATOM   5184  C   ALA B 859      29.281 -16.360  -8.230  1.00 96.00           C  
+ATOM   5185  CB  ALA B 859      28.639 -16.208 -10.646  1.00 96.00           C  
+ATOM   5186  O   ALA B 859      30.505 -16.300  -8.085  1.00 96.00           O  
+ATOM   5187  N   GLY B 860      28.473 -15.776  -7.381  1.00 95.56           N  
+ATOM   5188  CA  GLY B 860      28.967 -14.997  -6.256  1.00 95.56           C  
+ATOM   5189  C   GLY B 860      27.858 -14.445  -5.381  1.00 95.56           C  
+ATOM   5190  O   GLY B 860      26.676 -14.581  -5.706  1.00 95.56           O  
+ATOM   5191  N   VAL B 861      28.323 -13.909  -4.187  1.00 95.59           N  
+ATOM   5192  CA  VAL B 861      27.394 -13.314  -3.232  1.00 95.59           C  
+ATOM   5193  C   VAL B 861      27.907 -11.944  -2.795  1.00 95.59           C  
+ATOM   5194  CB  VAL B 861      27.188 -14.223  -1.999  1.00 95.59           C  
+ATOM   5195  O   VAL B 861      29.077 -11.799  -2.432  1.00 95.59           O  
+ATOM   5196  CG1 VAL B 861      26.222 -13.577  -1.007  1.00 95.59           C  
+ATOM   5197  CG2 VAL B 861      26.676 -15.597  -2.430  1.00 95.59           C  
+ATOM   5198  N   LEU B 862      27.014 -10.967  -2.989  1.00 96.08           N  
+ATOM   5199  CA  LEU B 862      27.308  -9.658  -2.417  1.00 96.08           C  
+ATOM   5200  C   LEU B 862      26.791  -9.561  -0.986  1.00 96.08           C  
+ATOM   5201  CB  LEU B 862      26.689  -8.548  -3.272  1.00 96.08           C  
+ATOM   5202  O   LEU B 862      25.591  -9.378  -0.766  1.00 96.08           O  
+ATOM   5203  CG  LEU B 862      26.957  -8.622  -4.776  1.00 96.08           C  
+ATOM   5204  CD1 LEU B 862      26.294  -7.448  -5.490  1.00 96.08           C  
+ATOM   5205  CD2 LEU B 862      28.456  -8.644  -5.052  1.00 96.08           C  
+ATOM   5206  N   ALA B 863      27.740  -9.673  -0.006  1.00 93.07           N  
+ATOM   5207  CA  ALA B 863      27.384  -9.633   1.410  1.00 93.07           C  
+ATOM   5208  C   ALA B 863      27.917  -8.367   2.075  1.00 93.07           C  
+ATOM   5209  CB  ALA B 863      27.916 -10.871   2.128  1.00 93.07           C  
+ATOM   5210  O   ALA B 863      29.124  -8.232   2.289  1.00 93.07           O  
+ATOM   5211  N   GLY B 864      27.108  -7.401   2.285  1.00 92.35           N  
+ATOM   5212  CA  GLY B 864      27.575  -6.168   2.898  1.00 92.35           C  
+ATOM   5213  C   GLY B 864      26.495  -5.441   3.675  1.00 92.35           C  
+ATOM   5214  O   GLY B 864      26.793  -4.610   4.535  1.00 92.35           O  
+ATOM   5215  N   HIS B 865      25.296  -5.872   3.559  1.00 96.47           N  
+ATOM   5216  CA  HIS B 865      24.187  -5.239   4.265  1.00 96.47           C  
+ATOM   5217  C   HIS B 865      23.849  -5.992   5.547  1.00 96.47           C  
+ATOM   5218  CB  HIS B 865      22.954  -5.159   3.362  1.00 96.47           C  
+ATOM   5219  O   HIS B 865      24.140  -7.184   5.667  1.00 96.47           O  
+ATOM   5220  CG  HIS B 865      23.036  -4.082   2.328  1.00 96.47           C  
+ATOM   5221  CD2 HIS B 865      23.116  -4.150   0.978  1.00 96.47           C  
+ATOM   5222  ND1 HIS B 865      23.046  -2.742   2.649  1.00 96.47           N  
+ATOM   5223  CE1 HIS B 865      23.127  -2.030   1.537  1.00 96.47           C  
+ATOM   5224  NE2 HIS B 865      23.171  -2.861   0.509  1.00 96.47           N  
+ATOM   5225  N   ASP B 866      23.280  -5.297   6.530  1.00 92.74           N  
+ATOM   5226  CA  ASP B 866      22.945  -5.874   7.828  1.00 92.74           C  
+ATOM   5227  C   ASP B 866      21.443  -6.124   7.946  1.00 92.74           C  
+ATOM   5228  CB  ASP B 866      23.417  -4.959   8.960  1.00 92.74           C  
+ATOM   5229  O   ASP B 866      20.936  -6.382   9.040  1.00 92.74           O  
+ATOM   5230  CG  ASP B 866      24.929  -4.874   9.062  1.00 92.74           C  
+ATOM   5231  OD1 ASP B 866      25.612  -5.904   8.875  1.00 92.74           O  
+ATOM   5232  OD2 ASP B 866      25.443  -3.767   9.335  1.00 92.74           O  
+ATOM   5233  N   ASN B 867      20.781  -5.839   6.903  1.00 93.71           N  
+ATOM   5234  CA  ASN B 867      19.341  -6.056   6.827  1.00 93.71           C  
+ATOM   5235  C   ASN B 867      18.899  -6.393   5.406  1.00 93.71           C  
+ATOM   5236  CB  ASN B 867      18.585  -4.829   7.341  1.00 93.71           C  
+ATOM   5237  O   ASN B 867      19.734  -6.580   4.519  1.00 93.71           O  
+ATOM   5238  CG  ASN B 867      17.284  -5.191   8.031  1.00 93.71           C  
+ATOM   5239  ND2 ASN B 867      16.957  -4.469   9.096  1.00 93.71           N  
+ATOM   5240  OD1 ASN B 867      16.580  -6.114   7.611  1.00 93.71           O  
+ATOM   5241  N   ARG B 868      17.615  -6.578   5.166  1.00 93.70           N  
+ATOM   5242  CA  ARG B 868      16.976  -6.975   3.916  1.00 93.70           C  
+ATOM   5243  C   ARG B 868      17.391  -6.056   2.772  1.00 93.70           C  
+ATOM   5244  CB  ARG B 868      15.453  -6.971   4.065  1.00 93.70           C  
+ATOM   5245  O   ARG B 868      17.373  -4.831   2.915  1.00 93.70           O  
+ATOM   5246  CG  ARG B 868      14.705  -7.207   2.762  1.00 93.70           C  
+ATOM   5247  CD  ARG B 868      13.197  -7.154   2.959  1.00 93.70           C  
+ATOM   5248  NE  ARG B 868      12.483  -7.673   1.796  1.00 93.70           N  
+ATOM   5249  NH1 ARG B 868      10.472  -6.665   2.322  1.00 93.70           N  
+ATOM   5250  NH2 ARG B 868      10.655  -7.952   0.434  1.00 93.70           N  
+ATOM   5251  CZ  ARG B 868      11.205  -7.429   1.520  1.00 93.70           C  
+ATOM   5252  N   VAL B 869      17.898  -6.685   1.579  1.00 96.87           N  
+ATOM   5253  CA  VAL B 869      18.164  -5.921   0.364  1.00 96.87           C  
+ATOM   5254  C   VAL B 869      16.867  -5.726  -0.418  1.00 96.87           C  
+ATOM   5255  CB  VAL B 869      19.222  -6.615  -0.523  1.00 96.87           C  
+ATOM   5256  O   VAL B 869      16.330  -6.678  -0.989  1.00 96.87           O  
+ATOM   5257  CG1 VAL B 869      19.467  -5.812  -1.799  1.00 96.87           C  
+ATOM   5258  CG2 VAL B 869      20.525  -6.804   0.252  1.00 96.87           C  
+ATOM   5259  N   SER B 870      16.437  -4.517  -0.431  1.00 96.61           N  
+ATOM   5260  CA  SER B 870      15.097  -4.235  -0.935  1.00 96.61           C  
+ATOM   5261  C   SER B 870      15.129  -3.870  -2.416  1.00 96.61           C  
+ATOM   5262  CB  SER B 870      14.451  -3.102  -0.137  1.00 96.61           C  
+ATOM   5263  O   SER B 870      14.124  -4.006  -3.116  1.00 96.61           O  
+ATOM   5264  OG  SER B 870      15.262  -1.940  -0.166  1.00 96.61           O  
+ATOM   5265  N   CYS B 871      16.187  -3.288  -2.916  1.00 97.33           N  
+ATOM   5266  CA  CYS B 871      16.260  -2.850  -4.306  1.00 97.33           C  
+ATOM   5267  C   CYS B 871      17.692  -2.912  -4.823  1.00 97.33           C  
+ATOM   5268  CB  CYS B 871      15.718  -1.428  -4.449  1.00 97.33           C  
+ATOM   5269  O   CYS B 871      18.642  -2.873  -4.040  1.00 97.33           O  
+ATOM   5270  SG  CYS B 871      16.509  -0.233  -3.349  1.00 97.33           S  
+ATOM   5271  N   LEU B 872      17.875  -3.157  -6.100  1.00 97.23           N  
+ATOM   5272  CA  LEU B 872      19.178  -3.124  -6.756  1.00 97.23           C  
+ATOM   5273  C   LEU B 872      19.044  -2.692  -8.212  1.00 97.23           C  
+ATOM   5274  CB  LEU B 872      19.852  -4.497  -6.679  1.00 97.23           C  
+ATOM   5275  O   LEU B 872      17.961  -2.784  -8.794  1.00 97.23           O  
+ATOM   5276  CG  LEU B 872      19.166  -5.632  -7.440  1.00 97.23           C  
+ATOM   5277  CD1 LEU B 872      19.638  -5.659  -8.890  1.00 97.23           C  
+ATOM   5278  CD2 LEU B 872      19.433  -6.971  -6.761  1.00 97.23           C  
+ATOM   5279  N   GLY B 873      20.150  -2.186  -8.751  1.00 96.96           N  
+ATOM   5280  CA  GLY B 873      20.190  -1.734 -10.133  1.00 96.96           C  
+ATOM   5281  C   GLY B 873      21.599  -1.620 -10.684  1.00 96.96           C  
+ATOM   5282  O   GLY B 873      22.556  -1.458  -9.924  1.00 96.96           O  
+ATOM   5283  N   VAL B 874      21.667  -1.770 -12.018  1.00 97.48           N  
+ATOM   5284  CA  VAL B 874      22.943  -1.678 -12.720  1.00 97.48           C  
+ATOM   5285  C   VAL B 874      22.970  -0.418 -13.581  1.00 97.48           C  
+ATOM   5286  CB  VAL B 874      23.203  -2.926 -13.593  1.00 97.48           C  
+ATOM   5287  O   VAL B 874      21.949  -0.027 -14.152  1.00 97.48           O  
+ATOM   5288  CG1 VAL B 874      24.529  -2.797 -14.340  1.00 97.48           C  
+ATOM   5289  CG2 VAL B 874      23.190  -4.190 -12.734  1.00 97.48           C  
+ATOM   5290  N   THR B 875      24.123   0.232 -13.598  1.00 96.28           N  
+ATOM   5291  CA  THR B 875      24.255   1.437 -14.410  1.00 96.28           C  
+ATOM   5292  C   THR B 875      24.181   1.097 -15.896  1.00 96.28           C  
+ATOM   5293  CB  THR B 875      25.577   2.169 -14.114  1.00 96.28           C  
+ATOM   5294  O   THR B 875      24.494  -0.026 -16.298  1.00 96.28           O  
+ATOM   5295  CG2 THR B 875      25.630   2.645 -12.666  1.00 96.28           C  
+ATOM   5296  OG1 THR B 875      26.674   1.277 -14.352  1.00 96.28           O  
+ATOM   5297  N   ASP B 876      23.824   2.101 -16.680  1.00 93.18           N  
+ATOM   5298  CA  ASP B 876      23.656   1.924 -18.119  1.00 93.18           C  
+ATOM   5299  C   ASP B 876      24.978   1.545 -18.783  1.00 93.18           C  
+ATOM   5300  CB  ASP B 876      23.095   3.198 -18.754  1.00 93.18           C  
+ATOM   5301  O   ASP B 876      24.992   0.832 -19.789  1.00 93.18           O  
+ATOM   5302  CG  ASP B 876      21.590   3.325 -18.598  1.00 93.18           C  
+ATOM   5303  OD1 ASP B 876      20.947   2.380 -18.091  1.00 93.18           O  
+ATOM   5304  OD2 ASP B 876      21.040   4.377 -18.989  1.00 93.18           O  
+ATOM   5305  N   ASP B 877      26.061   2.021 -18.262  1.00 94.90           N  
+ATOM   5306  CA  ASP B 877      27.359   1.685 -18.839  1.00 94.90           C  
+ATOM   5307  C   ASP B 877      27.854   0.334 -18.327  1.00 94.90           C  
+ATOM   5308  CB  ASP B 877      28.386   2.775 -18.524  1.00 94.90           C  
+ATOM   5309  O   ASP B 877      28.921  -0.136 -18.730  1.00 94.90           O  
+ATOM   5310  CG  ASP B 877      28.642   2.935 -17.036  1.00 94.90           C  
+ATOM   5311  OD1 ASP B 877      28.049   2.186 -16.230  1.00 94.90           O  
+ATOM   5312  OD2 ASP B 877      29.442   3.822 -16.665  1.00 94.90           O  
+ATOM   5313  N   GLY B 878      27.147  -0.277 -17.298  1.00 94.69           N  
+ATOM   5314  CA  GLY B 878      27.422  -1.615 -16.801  1.00 94.69           C  
+ATOM   5315  C   GLY B 878      28.600  -1.667 -15.847  1.00 94.69           C  
+ATOM   5316  O   GLY B 878      29.084  -2.749 -15.508  1.00 94.69           O  
+ATOM   5317  N   MET B 879      29.013  -0.587 -15.337  1.00 93.92           N  
+ATOM   5318  CA  MET B 879      30.260  -0.519 -14.581  1.00 93.92           C  
+ATOM   5319  C   MET B 879      29.995  -0.629 -13.083  1.00 93.92           C  
+ATOM   5320  CB  MET B 879      31.005   0.781 -14.886  1.00 93.92           C  
+ATOM   5321  O   MET B 879      30.908  -0.917 -12.306  1.00 93.92           O  
+ATOM   5322  CG  MET B 879      31.570   0.847 -16.296  1.00 93.92           C  
+ATOM   5323  SD  MET B 879      32.787  -0.485 -16.629  1.00 93.92           S  
+ATOM   5324  CE  MET B 879      33.250  -0.076 -18.335  1.00 93.92           C  
+ATOM   5325  N   ALA B 880      28.761  -0.398 -12.683  1.00 96.06           N  
+ATOM   5326  CA  ALA B 880      28.487  -0.402 -11.248  1.00 96.06           C  
+ATOM   5327  C   ALA B 880      27.107  -0.985 -10.955  1.00 96.06           C  
+ATOM   5328  CB  ALA B 880      28.596   1.011 -10.681  1.00 96.06           C  
+ATOM   5329  O   ALA B 880      26.205  -0.912 -11.792  1.00 96.06           O  
+ATOM   5330  N   VAL B 881      27.068  -1.574  -9.755  1.00 97.55           N  
+ATOM   5331  CA  VAL B 881      25.813  -2.065  -9.197  1.00 97.55           C  
+ATOM   5332  C   VAL B 881      25.508  -1.336  -7.890  1.00 97.55           C  
+ATOM   5333  CB  VAL B 881      25.855  -3.591  -8.959  1.00 97.55           C  
+ATOM   5334  O   VAL B 881      26.403  -1.123  -7.068  1.00 97.55           O  
+ATOM   5335  CG1 VAL B 881      24.542  -4.080  -8.351  1.00 97.55           C  
+ATOM   5336  CG2 VAL B 881      26.148  -4.326 -10.266  1.00 97.55           C  
+ATOM   5337  N   ALA B 882      24.284  -0.909  -7.786  1.00 98.26           N  
+ATOM   5338  CA  ALA B 882      23.851  -0.319  -6.522  1.00 98.26           C  
+ATOM   5339  C   ALA B 882      22.826  -1.209  -5.825  1.00 98.26           C  
+ATOM   5340  CB  ALA B 882      23.271   1.074  -6.755  1.00 98.26           C  
+ATOM   5341  O   ALA B 882      21.923  -1.748  -6.468  1.00 98.26           O  
+ATOM   5342  N   THR B 883      23.030  -1.365  -4.501  1.00 98.53           N  
+ATOM   5343  CA  THR B 883      22.052  -2.071  -3.681  1.00 98.53           C  
+ATOM   5344  C   THR B 883      21.536  -1.173  -2.561  1.00 98.53           C  
+ATOM   5345  CB  THR B 883      22.653  -3.354  -3.077  1.00 98.53           C  
+ATOM   5346  O   THR B 883      22.301  -0.410  -1.967  1.00 98.53           O  
+ATOM   5347  CG2 THR B 883      23.092  -4.323  -4.170  1.00 98.53           C  
+ATOM   5348  OG1 THR B 883      23.789  -3.011  -2.274  1.00 98.53           O  
+ATOM   5349  N   GLY B 884      20.230  -1.195  -2.302  1.00 98.11           N  
+ATOM   5350  CA  GLY B 884      19.581  -0.535  -1.181  1.00 98.11           C  
+ATOM   5351  C   GLY B 884      19.006  -1.506  -0.168  1.00 98.11           C  
+ATOM   5352  O   GLY B 884      18.490  -2.563  -0.537  1.00 98.11           O  
+ATOM   5353  N   SER B 885      19.034  -1.063   1.102  1.00 97.82           N  
+ATOM   5354  CA  SER B 885      18.665  -2.021   2.140  1.00 97.82           C  
+ATOM   5355  C   SER B 885      17.863  -1.352   3.250  1.00 97.82           C  
+ATOM   5356  CB  SER B 885      19.913  -2.681   2.727  1.00 97.82           C  
+ATOM   5357  O   SER B 885      17.828  -0.123   3.344  1.00 97.82           O  
+ATOM   5358  OG  SER B 885      19.575  -3.504   3.831  1.00 97.82           O  
+ATOM   5359  N   TRP B 886      17.280  -2.188   4.031  1.00 95.04           N  
+ATOM   5360  CA  TRP B 886      16.540  -1.747   5.209  1.00 95.04           C  
+ATOM   5361  C   TRP B 886      17.491  -1.351   6.333  1.00 95.04           C  
+ATOM   5362  CB  TRP B 886      15.590  -2.847   5.690  1.00 95.04           C  
+ATOM   5363  O   TRP B 886      17.052  -0.934   7.408  1.00 95.04           O  
+ATOM   5364  CG  TRP B 886      14.337  -2.969   4.876  1.00 95.04           C  
+ATOM   5365  CD1 TRP B 886      14.081  -2.387   3.666  1.00 95.04           C  
+ATOM   5366  CD2 TRP B 886      13.167  -3.718   5.217  1.00 95.04           C  
+ATOM   5367  CE2 TRP B 886      12.239  -3.545   4.166  1.00 95.04           C  
+ATOM   5368  CE3 TRP B 886      12.813  -4.521   6.310  1.00 95.04           C  
+ATOM   5369  NE1 TRP B 886      12.820  -2.730   3.234  1.00 95.04           N  
+ATOM   5370  CH2 TRP B 886      10.657  -4.926   5.258  1.00 95.04           C  
+ATOM   5371  CZ2 TRP B 886      10.978  -4.147   4.177  1.00 95.04           C  
+ATOM   5372  CZ3 TRP B 886      11.557  -5.118   6.319  1.00 95.04           C  
+ATOM   5373  N   ASP B 887      18.704  -1.495   6.118  1.00 94.94           N  
+ATOM   5374  CA  ASP B 887      19.679  -1.000   7.084  1.00 94.94           C  
+ATOM   5375  C   ASP B 887      19.961   0.485   6.868  1.00 94.94           C  
+ATOM   5376  CB  ASP B 887      20.979  -1.801   6.993  1.00 94.94           C  
+ATOM   5377  O   ASP B 887      20.878   1.043   7.475  1.00 94.94           O  
+ATOM   5378  CG  ASP B 887      21.675  -1.651   5.651  1.00 94.94           C  
+ATOM   5379  OD1 ASP B 887      21.247  -0.809   4.833  1.00 94.94           O  
+ATOM   5380  OD2 ASP B 887      22.658  -2.384   5.409  1.00 94.94           O  
+ATOM   5381  N   SER B 888      19.321   1.103   5.929  1.00 95.43           N  
+ATOM   5382  CA  SER B 888      19.278   2.533   5.640  1.00 95.43           C  
+ATOM   5383  C   SER B 888      20.461   2.958   4.777  1.00 95.43           C  
+ATOM   5384  CB  SER B 888      19.265   3.343   6.937  1.00 95.43           C  
+ATOM   5385  O   SER B 888      20.770   4.148   4.681  1.00 95.43           O  
+ATOM   5386  OG  SER B 888      18.172   2.964   7.756  1.00 95.43           O  
+ATOM   5387  N   PHE B 889      21.174   1.988   4.197  1.00 97.50           N  
+ATOM   5388  CA  PHE B 889      22.349   2.305   3.394  1.00 97.50           C  
+ATOM   5389  C   PHE B 889      22.158   1.852   1.952  1.00 97.50           C  
+ATOM   5390  CB  PHE B 889      23.600   1.651   3.988  1.00 97.50           C  
+ATOM   5391  O   PHE B 889      21.443   0.882   1.690  1.00 97.50           O  
+ATOM   5392  CG  PHE B 889      23.908   2.094   5.393  1.00 97.50           C  
+ATOM   5393  CD1 PHE B 889      24.270   3.409   5.659  1.00 97.50           C  
+ATOM   5394  CD2 PHE B 889      23.834   1.194   6.449  1.00 97.50           C  
+ATOM   5395  CE1 PHE B 889      24.555   3.821   6.959  1.00 97.50           C  
+ATOM   5396  CE2 PHE B 889      24.117   1.599   7.750  1.00 97.50           C  
+ATOM   5397  CZ  PHE B 889      24.479   2.913   8.003  1.00 97.50           C  
+ATOM   5398  N   LEU B 890      22.745   2.678   1.039  1.00 98.23           N  
+ATOM   5399  CA  LEU B 890      22.992   2.222  -0.324  1.00 98.23           C  
+ATOM   5400  C   LEU B 890      24.464   1.874  -0.522  1.00 98.23           C  
+ATOM   5401  CB  LEU B 890      22.569   3.293  -1.333  1.00 98.23           C  
+ATOM   5402  O   LEU B 890      25.345   2.566  -0.007  1.00 98.23           O  
+ATOM   5403  CG  LEU B 890      21.071   3.589  -1.419  1.00 98.23           C  
+ATOM   5404  CD1 LEU B 890      20.814   5.081  -1.235  1.00 98.23           C  
+ATOM   5405  CD2 LEU B 890      20.506   3.104  -2.750  1.00 98.23           C  
+ATOM   5406  N   LYS B 891      24.708   0.806  -1.223  1.00 98.24           N  
+ATOM   5407  CA  LYS B 891      26.086   0.417  -1.510  1.00 98.24           C  
+ATOM   5408  C   LYS B 891      26.331   0.334  -3.014  1.00 98.24           C  
+ATOM   5409  CB  LYS B 891      26.413  -0.924  -0.851  1.00 98.24           C  
+ATOM   5410  O   LYS B 891      25.492  -0.177  -3.758  1.00 98.24           O  
+ATOM   5411  CG  LYS B 891      26.473  -0.868   0.668  1.00 98.24           C  
+ATOM   5412  CD  LYS B 891      26.914  -2.201   1.259  1.00 98.24           C  
+ATOM   5413  CE  LYS B 891      26.951  -2.154   2.781  1.00 98.24           C  
+ATOM   5414  NZ  LYS B 891      28.190  -1.491   3.285  1.00 98.24           N  
+ATOM   5415  N   ILE B 892      27.477   0.866  -3.375  1.00 98.13           N  
+ATOM   5416  CA  ILE B 892      27.918   0.785  -4.763  1.00 98.13           C  
+ATOM   5417  C   ILE B 892      28.990  -0.294  -4.901  1.00 98.13           C  
+ATOM   5418  CB  ILE B 892      28.457   2.143  -5.266  1.00 98.13           C  
+ATOM   5419  O   ILE B 892      29.989  -0.282  -4.178  1.00 98.13           O  
+ATOM   5420  CG1 ILE B 892      27.425   3.250  -5.022  1.00 98.13           C  
+ATOM   5421  CG2 ILE B 892      28.831   2.060  -6.748  1.00 98.13           C  
+ATOM   5422  CD1 ILE B 892      26.108   3.042  -5.757  1.00 98.13           C  
+ATOM   5423  N   TRP B 893      28.675  -1.245  -5.862  1.00 97.00           N  
+ATOM   5424  CA  TRP B 893      29.564  -2.382  -6.074  1.00 97.00           C  
+ATOM   5425  C   TRP B 893      30.245  -2.294  -7.436  1.00 97.00           C  
+ATOM   5426  CB  TRP B 893      28.791  -3.699  -5.960  1.00 97.00           C  
+ATOM   5427  O   TRP B 893      29.652  -1.812  -8.404  1.00 97.00           O  
+ATOM   5428  CG  TRP B 893      27.873  -3.765  -4.776  1.00 97.00           C  
+ATOM   5429  CD1 TRP B 893      26.638  -3.192  -4.658  1.00 97.00           C  
+ATOM   5430  CD2 TRP B 893      28.122  -4.441  -3.540  1.00 97.00           C  
+ATOM   5431  CE2 TRP B 893      26.993  -4.236  -2.717  1.00 97.00           C  
+ATOM   5432  CE3 TRP B 893      29.191  -5.201  -3.048  1.00 97.00           C  
+ATOM   5433  NE1 TRP B 893      26.103  -3.472  -3.422  1.00 97.00           N  
+ATOM   5434  CH2 TRP B 893      27.962  -5.505  -0.970  1.00 97.00           C  
+ATOM   5435  CZ2 TRP B 893      26.903  -4.765  -1.427  1.00 97.00           C  
+ATOM   5436  CZ3 TRP B 893      29.100  -5.727  -1.764  1.00 97.00           C  
+ATOM   5437  N   ASN B 894      31.416  -2.701  -7.637  1.00 88.05           N  
+ATOM   5438  CA  ASN B 894      32.119  -2.929  -8.895  1.00 88.05           C  
+ATOM   5439  C   ASN B 894      33.107  -4.086  -8.785  1.00 88.05           C  
+ATOM   5440  CB  ASN B 894      32.840  -1.656  -9.345  1.00 88.05           C  
+ATOM   5441  O   ASN B 894      33.481  -4.484  -7.680  1.00 88.05           O  
+ATOM   5442  CG  ASN B 894      33.943  -1.242  -8.391  1.00 88.05           C  
+ATOM   5443  ND2 ASN B 894      34.534  -0.079  -8.638  1.00 88.05           N  
+ATOM   5444  OD1 ASN B 894      34.261  -1.961  -7.441  1.00 88.05           O  
diff --git a/modules/core/test/input/1gp2/1gp2_AB_conf5.pdb b/modules/core/test/input/1gp2/1gp2_AB_conf5.pdb
new file mode 100644
index 0000000000..4c8f6e9b07
--- /dev/null
+++ b/modules/core/test/input/1gp2/1gp2_AB_conf5.pdb
@@ -0,0 +1,5444 @@
+ATOM      1  N   MET A   1     -42.219 -30.822  13.503  1.00 38.03           N  
+ATOM      2  CA  MET A   1     -42.869 -29.932  12.545  1.00 38.03           C  
+ATOM      3  C   MET A   1     -41.849 -29.327  11.586  1.00 38.03           C  
+ATOM      4  CB  MET A   1     -43.628 -28.821  13.271  1.00 38.03           C  
+ATOM      5  O   MET A   1     -40.952 -28.595  12.009  1.00 38.03           O  
+ATOM      6  CG  MET A   1     -45.057 -29.191  13.634  1.00 38.03           C  
+ATOM      7  SD  MET A   1     -46.227 -27.798  13.394  1.00 38.03           S  
+ATOM      8  CE  MET A   1     -46.185 -27.055  15.048  1.00 38.03           C  
+ATOM      9  N   GLY A   2     -41.269 -30.167  10.701  1.00 38.44           N  
+ATOM     10  CA  GLY A   2     -40.312 -30.149   9.607  1.00 38.44           C  
+ATOM     11  C   GLY A   2     -40.419 -28.909   8.740  1.00 38.44           C  
+ATOM     12  O   GLY A   2     -41.464 -28.655   8.137  1.00 38.44           O  
+ATOM     13  N   CYS A   3     -39.975 -27.672   9.171  1.00 47.21           N  
+ATOM     14  CA  CYS A   3     -39.926 -26.383   8.491  1.00 47.21           C  
+ATOM     15  C   CYS A   3     -39.173 -26.491   7.171  1.00 47.21           C  
+ATOM     16  CB  CYS A   3     -39.264 -25.332   9.382  1.00 47.21           C  
+ATOM     17  O   CYS A   3     -37.991 -26.839   7.152  1.00 47.21           O  
+ATOM     18  SG  CYS A   3     -40.412 -24.494  10.496  1.00 47.21           S  
+ATOM     19  N   THR A   4     -39.834 -26.952   6.023  1.00 57.30           N  
+ATOM     20  CA  THR A   4     -39.437 -26.908   4.620  1.00 57.30           C  
+ATOM     21  C   THR A   4     -38.931 -25.518   4.246  1.00 57.30           C  
+ATOM     22  CB  THR A   4     -40.605 -27.298   3.696  1.00 57.30           C  
+ATOM     23  O   THR A   4     -39.507 -24.509   4.658  1.00 57.30           O  
+ATOM     24  CG2 THR A   4     -40.829 -28.807   3.700  1.00 57.30           C  
+ATOM     25  OG1 THR A   4     -41.800 -26.648   4.146  1.00 57.30           O  
+ATOM     26  N   LEU A   5     -37.552 -25.257   4.143  1.00 68.97           N  
+ATOM     27  CA  LEU A   5     -36.825 -24.108   3.615  1.00 68.97           C  
+ATOM     28  C   LEU A   5     -37.515 -23.552   2.373  1.00 68.97           C  
+ATOM     29  CB  LEU A   5     -35.382 -24.494   3.281  1.00 68.97           C  
+ATOM     30  O   LEU A   5     -38.044 -24.313   1.559  1.00 68.97           O  
+ATOM     31  CG  LEU A   5     -34.440 -24.689   4.470  1.00 68.97           C  
+ATOM     32  CD1 LEU A   5     -33.260 -25.570   4.073  1.00 68.97           C  
+ATOM     33  CD2 LEU A   5     -33.955 -23.342   4.995  1.00 68.97           C  
+ATOM     34  N   SER A   6     -37.934 -22.296   2.340  1.00 80.38           N  
+ATOM     35  CA  SER A   6     -38.462 -21.617   1.161  1.00 80.38           C  
+ATOM     36  C   SER A   6     -37.545 -21.804  -0.042  1.00 80.38           C  
+ATOM     37  CB  SER A   6     -38.652 -20.125   1.441  1.00 80.38           C  
+ATOM     38  O   SER A   6     -36.374 -22.159   0.112  1.00 80.38           O  
+ATOM     39  OG  SER A   6     -37.401 -19.461   1.492  1.00 80.38           O  
+ATOM     40  N   ALA A   7     -38.040 -21.948  -1.326  1.00 80.82           N  
+ATOM     41  CA  ALA A   7     -37.305 -22.063  -2.583  1.00 80.82           C  
+ATOM     42  C   ALA A   7     -36.153 -21.064  -2.639  1.00 80.82           C  
+ATOM     43  CB  ALA A   7     -38.243 -21.856  -3.769  1.00 80.82           C  
+ATOM     44  O   ALA A   7     -35.065 -21.386  -3.123  1.00 80.82           O  
+ATOM     45  N   GLU A   8     -36.341 -19.902  -2.052  1.00 78.35           N  
+ATOM     46  CA  GLU A   8     -35.341 -18.841  -1.997  1.00 78.35           C  
+ATOM     47  C   GLU A   8     -34.222 -19.186  -1.019  1.00 78.35           C  
+ATOM     48  CB  GLU A   8     -35.989 -17.510  -1.607  1.00 78.35           C  
+ATOM     49  O   GLU A   8     -33.045 -18.960  -1.308  1.00 78.35           O  
+ATOM     50  CG  GLU A   8     -36.779 -16.857  -2.731  1.00 78.35           C  
+ATOM     51  CD  GLU A   8     -37.469 -15.569  -2.311  1.00 78.35           C  
+ATOM     52  OE1 GLU A   8     -38.172 -14.956  -3.146  1.00 78.35           O  
+ATOM     53  OE2 GLU A   8     -37.304 -15.169  -1.137  1.00 78.35           O  
+ATOM     54  N   ASP A   9     -34.551 -19.787   0.124  1.00 82.99           N  
+ATOM     55  CA  ASP A   9     -33.588 -20.215   1.135  1.00 82.99           C  
+ATOM     56  C   ASP A   9     -32.775 -21.411   0.646  1.00 82.99           C  
+ATOM     57  CB  ASP A   9     -34.302 -20.562   2.443  1.00 82.99           C  
+ATOM     58  O   ASP A   9     -31.572 -21.497   0.903  1.00 82.99           O  
+ATOM     59  CG  ASP A   9     -34.770 -19.336   3.206  1.00 82.99           C  
+ATOM     60  OD1 ASP A   9     -34.286 -18.219   2.923  1.00 82.99           O  
+ATOM     61  OD2 ASP A   9     -35.629 -19.489   4.101  1.00 82.99           O  
+ATOM     62  N   LYS A  10     -33.420 -22.298  -0.128  1.00 87.17           N  
+ATOM     63  CA  LYS A  10     -32.737 -23.441  -0.727  1.00 87.17           C  
+ATOM     64  C   LYS A  10     -31.728 -22.989  -1.779  1.00 87.17           C  
+ATOM     65  CB  LYS A  10     -33.748 -24.404  -1.350  1.00 87.17           C  
+ATOM     66  O   LYS A  10     -30.620 -23.524  -1.854  1.00 87.17           O  
+ATOM     67  CG  LYS A  10     -34.511 -25.242  -0.335  1.00 87.17           C  
+ATOM     68  CD  LYS A  10     -35.443 -26.235  -1.018  1.00 87.17           C  
+ATOM     69  CE  LYS A  10     -36.262 -27.023  -0.005  1.00 87.17           C  
+ATOM     70  NZ  LYS A  10     -37.196 -27.980  -0.670  1.00 87.17           N  
+ATOM     71  N   ALA A  11     -32.095 -22.030  -2.614  1.00 86.72           N  
+ATOM     72  CA  ALA A  11     -31.219 -21.473  -3.641  1.00 86.72           C  
+ATOM     73  C   ALA A  11     -30.016 -20.773  -3.015  1.00 86.72           C  
+ATOM     74  CB  ALA A  11     -31.991 -20.502  -4.530  1.00 86.72           C  
+ATOM     75  O   ALA A  11     -28.894 -20.888  -3.514  1.00 86.72           O  
+ATOM     76  N   ALA A  12     -30.252 -20.074  -1.908  1.00 86.39           N  
+ATOM     77  CA  ALA A  12     -29.203 -19.366  -1.180  1.00 86.39           C  
+ATOM     78  C   ALA A  12     -28.198 -20.344  -0.578  1.00 86.39           C  
+ATOM     79  CB  ALA A  12     -29.810 -18.492  -0.086  1.00 86.39           C  
+ATOM     80  O   ALA A  12     -26.987 -20.118  -0.643  1.00 86.39           O  
+ATOM     81  N   VAL A  13     -28.626 -21.413  -0.008  1.00 90.14           N  
+ATOM     82  CA  VAL A  13     -27.779 -22.451   0.570  1.00 90.14           C  
+ATOM     83  C   VAL A  13     -26.955 -23.117  -0.530  1.00 90.14           C  
+ATOM     84  CB  VAL A  13     -28.613 -23.510   1.326  1.00 90.14           C  
+ATOM     85  O   VAL A  13     -25.764 -23.380  -0.349  1.00 90.14           O  
+ATOM     86  CG1 VAL A  13     -27.735 -24.684   1.754  1.00 90.14           C  
+ATOM     87  CG2 VAL A  13     -29.299 -22.881   2.537  1.00 90.14           C  
+ATOM     88  N   GLU A  14     -27.625 -23.443  -1.674  1.00 91.25           N  
+ATOM     89  CA  GLU A  14     -26.935 -24.059  -2.803  1.00 91.25           C  
+ATOM     90  C   GLU A  14     -25.827 -23.153  -3.333  1.00 91.25           C  
+ATOM     91  CB  GLU A  14     -27.925 -24.389  -3.923  1.00 91.25           C  
+ATOM     92  O   GLU A  14     -24.732 -23.623  -3.650  1.00 91.25           O  
+ATOM     93  CG  GLU A  14     -27.325 -25.217  -5.050  1.00 91.25           C  
+ATOM     94  CD  GLU A  14     -26.758 -26.548  -4.581  1.00 91.25           C  
+ATOM     95  OE1 GLU A  14     -25.812 -27.064  -5.218  1.00 91.25           O  
+ATOM     96  OE2 GLU A  14     -27.266 -27.079  -3.568  1.00 91.25           O  
+ATOM     97  N   ARG A  15     -26.134 -21.960  -3.427  1.00 89.88           N  
+ATOM     98  CA  ARG A  15     -25.136 -20.989  -3.864  1.00 89.88           C  
+ATOM     99  C   ARG A  15     -23.953 -20.949  -2.902  1.00 89.88           C  
+ATOM    100  CB  ARG A  15     -25.758 -19.596  -3.987  1.00 89.88           C  
+ATOM    101  O   ARG A  15     -22.798 -20.922  -3.332  1.00 89.88           O  
+ATOM    102  CG  ARG A  15     -24.824 -18.555  -4.583  1.00 89.88           C  
+ATOM    103  CD  ARG A  15     -25.474 -17.179  -4.638  1.00 89.88           C  
+ATOM    104  NE  ARG A  15     -26.706 -17.197  -5.422  1.00 89.88           N  
+ATOM    105  NH1 ARG A  15     -26.980 -14.903  -5.425  1.00 89.88           N  
+ATOM    106  NH2 ARG A  15     -28.502 -16.245  -6.491  1.00 89.88           N  
+ATOM    107  CZ  ARG A  15     -27.393 -16.115  -5.778  1.00 89.88           C  
+ATOM    108  N   SER A  16     -24.284 -20.821  -1.668  1.00 92.09           N  
+ATOM    109  CA  SER A  16     -23.254 -20.806  -0.634  1.00 92.09           C  
+ATOM    110  C   SER A  16     -22.388 -22.059  -0.698  1.00 92.09           C  
+ATOM    111  CB  SER A  16     -23.888 -20.684   0.753  1.00 92.09           C  
+ATOM    112  O   SER A  16     -21.166 -21.983  -0.554  1.00 92.09           O  
+ATOM    113  OG  SER A  16     -22.890 -20.609   1.756  1.00 92.09           O  
+ATOM    114  N   LYS A  17     -22.914 -23.224  -0.883  1.00 92.87           N  
+ATOM    115  CA  LYS A  17     -22.178 -24.478  -1.011  1.00 92.87           C  
+ATOM    116  C   LYS A  17     -21.238 -24.443  -2.213  1.00 92.87           C  
+ATOM    117  CB  LYS A  17     -23.144 -25.657  -1.136  1.00 92.87           C  
+ATOM    118  O   LYS A  17     -20.115 -24.947  -2.144  1.00 92.87           O  
+ATOM    119  CG  LYS A  17     -23.796 -26.065   0.177  1.00 92.87           C  
+ATOM    120  CD  LYS A  17     -24.657 -27.310   0.011  1.00 92.87           C  
+ATOM    121  CE  LYS A  17     -25.315 -27.716   1.323  1.00 92.87           C  
+ATOM    122  NZ  LYS A  17     -26.224 -28.888   1.148  1.00 92.87           N  
+ATOM    123  N   MET A  18     -21.759 -23.915  -3.307  1.00 91.76           N  
+ATOM    124  CA  MET A  18     -20.934 -23.770  -4.503  1.00 91.76           C  
+ATOM    125  C   MET A  18     -19.727 -22.880  -4.227  1.00 91.76           C  
+ATOM    126  CB  MET A  18     -21.756 -23.193  -5.657  1.00 91.76           C  
+ATOM    127  O   MET A  18     -18.613 -23.189  -4.652  1.00 91.76           O  
+ATOM    128  CG  MET A  18     -21.025 -23.193  -6.990  1.00 91.76           C  
+ATOM    129  SD  MET A  18     -22.015 -22.432  -8.335  1.00 91.76           S  
+ATOM    130  CE  MET A  18     -22.972 -23.873  -8.882  1.00 91.76           C  
+ATOM    131  N   ILE A  19     -19.919 -21.801  -3.560  1.00 91.70           N  
+ATOM    132  CA  ILE A  19     -18.853 -20.875  -3.192  1.00 91.70           C  
+ATOM    133  C   ILE A  19     -17.836 -21.586  -2.303  1.00 91.70           C  
+ATOM    134  CB  ILE A  19     -19.413 -19.626  -2.474  1.00 91.70           C  
+ATOM    135  O   ILE A  19     -16.626 -21.430  -2.485  1.00 91.70           O  
+ATOM    136  CG1 ILE A  19     -20.252 -18.785  -3.442  1.00 91.70           C  
+ATOM    137  CG2 ILE A  19     -18.276 -18.796  -1.871  1.00 91.70           C  
+ATOM    138  CD1 ILE A  19     -20.985 -17.626  -2.780  1.00 91.70           C  
+ATOM    139  N   ASP A  20     -18.290 -22.363  -1.383  1.00 91.83           N  
+ATOM    140  CA  ASP A  20     -17.406 -23.115  -0.497  1.00 91.83           C  
+ATOM    141  C   ASP A  20     -16.515 -24.068  -1.290  1.00 91.83           C  
+ATOM    142  CB  ASP A  20     -18.220 -23.894   0.537  1.00 91.83           C  
+ATOM    143  O   ASP A  20     -15.327 -24.209  -0.992  1.00 91.83           O  
+ATOM    144  CG  ASP A  20     -18.697 -23.029   1.691  1.00 91.83           C  
+ATOM    145  OD1 ASP A  20     -18.072 -21.983   1.968  1.00 91.83           O  
+ATOM    146  OD2 ASP A  20     -19.706 -23.398   2.330  1.00 91.83           O  
+ATOM    147  N   ARG A  21     -17.110 -24.759  -2.211  1.00 91.44           N  
+ATOM    148  CA  ARG A  21     -16.350 -25.668  -3.063  1.00 91.44           C  
+ATOM    149  C   ARG A  21     -15.251 -24.924  -3.814  1.00 91.44           C  
+ATOM    150  CB  ARG A  21     -17.276 -26.376  -4.055  1.00 91.44           C  
+ATOM    151  O   ARG A  21     -14.109 -25.385  -3.869  1.00 91.44           O  
+ATOM    152  CG  ARG A  21     -16.587 -27.451  -4.880  1.00 91.44           C  
+ATOM    153  CD  ARG A  21     -17.571 -28.192  -5.775  1.00 91.44           C  
+ATOM    154  NE  ARG A  21     -18.202 -27.296  -6.739  1.00 91.44           N  
+ATOM    155  NH1 ARG A  21     -19.661 -28.883  -7.570  1.00 91.44           N  
+ATOM    156  NH2 ARG A  21     -19.683 -26.749  -8.408  1.00 91.44           N  
+ATOM    157  CZ  ARG A  21     -19.181 -27.645  -7.570  1.00 91.44           C  
+ATOM    158  N   ASN A  22     -15.574 -23.765  -4.366  1.00 88.79           N  
+ATOM    159  CA  ASN A  22     -14.605 -22.952  -5.094  1.00 88.79           C  
+ATOM    160  C   ASN A  22     -13.476 -22.477  -4.185  1.00 88.79           C  
+ATOM    161  CB  ASN A  22     -15.295 -21.756  -5.754  1.00 88.79           C  
+ATOM    162  O   ASN A  22     -12.311 -22.468  -4.587  1.00 88.79           O  
+ATOM    163  CG  ASN A  22     -16.155 -22.157  -6.936  1.00 88.79           C  
+ATOM    164  ND2 ASN A  22     -17.068 -21.277  -7.330  1.00 88.79           N  
+ATOM    165  OD1 ASN A  22     -16.000 -23.248  -7.490  1.00 88.79           O  
+ATOM    166  N   LEU A  23     -13.857 -22.023  -3.004  1.00 88.39           N  
+ATOM    167  CA  LEU A  23     -12.871 -21.556  -2.035  1.00 88.39           C  
+ATOM    168  C   LEU A  23     -11.920 -22.682  -1.641  1.00 88.39           C  
+ATOM    169  CB  LEU A  23     -13.565 -20.999  -0.790  1.00 88.39           C  
+ATOM    170  O   LEU A  23     -10.722 -22.454  -1.460  1.00 88.39           O  
+ATOM    171  CG  LEU A  23     -14.330 -19.686  -0.970  1.00 88.39           C  
+ATOM    172  CD1 LEU A  23     -15.017 -19.290   0.333  1.00 88.39           C  
+ATOM    173  CD2 LEU A  23     -13.392 -18.581  -1.443  1.00 88.39           C  
+ATOM    174  N   ARG A  24     -12.414 -23.877  -1.451  1.00 86.50           N  
+ATOM    175  CA  ARG A  24     -11.594 -25.036  -1.114  1.00 86.50           C  
+ATOM    176  C   ARG A  24     -10.594 -25.341  -2.224  1.00 86.50           C  
+ATOM    177  CB  ARG A  24     -12.475 -26.260  -0.853  1.00 86.50           C  
+ATOM    178  O   ARG A  24      -9.419 -25.599  -1.955  1.00 86.50           O  
+ATOM    179  CG  ARG A  24     -11.713 -27.466  -0.326  1.00 86.50           C  
+ATOM    180  CD  ARG A  24     -12.645 -28.624   0.002  1.00 86.50           C  
+ATOM    181  NE  ARG A  24     -13.396 -29.060  -1.172  1.00 86.50           N  
+ATOM    182  NH1 ARG A  24     -14.454 -30.812  -0.100  1.00 86.50           N  
+ATOM    183  NH2 ARG A  24     -14.869 -30.399  -2.316  1.00 86.50           N  
+ATOM    184  CZ  ARG A  24     -14.238 -30.089  -1.193  1.00 86.50           C  
+ATOM    185  N   GLU A  25     -11.069 -25.358  -3.414  1.00 85.59           N  
+ATOM    186  CA  GLU A  25     -10.190 -25.569  -4.560  1.00 85.59           C  
+ATOM    187  C   GLU A  25      -9.089 -24.514  -4.612  1.00 85.59           C  
+ATOM    188  CB  GLU A  25     -10.993 -25.555  -5.863  1.00 85.59           C  
+ATOM    189  O   GLU A  25      -7.929 -24.833  -4.881  1.00 85.59           O  
+ATOM    190  CG  GLU A  25     -11.859 -26.791  -6.065  1.00 85.59           C  
+ATOM    191  CD  GLU A  25     -12.711 -26.727  -7.323  1.00 85.59           C  
+ATOM    192  OE1 GLU A  25     -13.457 -27.694  -7.600  1.00 85.59           O  
+ATOM    193  OE2 GLU A  25     -12.631 -25.703  -8.037  1.00 85.59           O  
+ATOM    194  N   ASP A  26      -9.460 -23.283  -4.366  1.00 81.59           N  
+ATOM    195  CA  ASP A  26      -8.497 -22.186  -4.323  1.00 81.59           C  
+ATOM    196  C   ASP A  26      -7.466 -22.403  -3.217  1.00 81.59           C  
+ATOM    197  CB  ASP A  26      -9.214 -20.850  -4.119  1.00 81.59           C  
+ATOM    198  O   ASP A  26      -6.285 -22.099  -3.394  1.00 81.59           O  
+ATOM    199  CG  ASP A  26      -9.957 -20.381  -5.357  1.00 81.59           C  
+ATOM    200  OD1 ASP A  26      -9.797 -20.995  -6.434  1.00 81.59           O  
+ATOM    201  OD2 ASP A  26     -10.709 -19.387  -5.255  1.00 81.59           O  
+ATOM    202  N   GLY A  27      -7.981 -22.876  -2.089  1.00 77.90           N  
+ATOM    203  CA  GLY A  27      -7.091 -23.170  -0.977  1.00 77.90           C  
+ATOM    204  C   GLY A  27      -6.054 -24.226  -1.307  1.00 77.90           C  
+ATOM    205  O   GLY A  27      -4.885 -24.092  -0.938  1.00 77.90           O  
+ATOM    206  N   GLU A  28      -6.449 -25.278  -1.954  1.00 75.95           N  
+ATOM    207  CA  GLU A  28      -5.547 -26.344  -2.379  1.00 75.95           C  
+ATOM    208  C   GLU A  28      -4.497 -25.822  -3.356  1.00 75.95           C  
+ATOM    209  CB  GLU A  28      -6.334 -27.492  -3.017  1.00 75.95           C  
+ATOM    210  O   GLU A  28      -3.322 -26.184  -3.264  1.00 75.95           O  
+ATOM    211  CG  GLU A  28      -7.156 -28.301  -2.024  1.00 75.95           C  
+ATOM    212  CD  GLU A  28      -8.031 -29.353  -2.686  1.00 75.95           C  
+ATOM    213  OE1 GLU A  28      -8.733 -30.099  -1.966  1.00 75.95           O  
+ATOM    214  OE2 GLU A  28      -8.014 -29.433  -3.935  1.00 75.95           O  
+ATOM    215  N   LYS A  29      -4.928 -25.003  -4.245  1.00 73.25           N  
+ATOM    216  CA  LYS A  29      -4.017 -24.367  -5.193  1.00 73.25           C  
+ATOM    217  C   LYS A  29      -3.013 -23.470  -4.474  1.00 73.25           C  
+ATOM    218  CB  LYS A  29      -4.799 -23.554  -6.226  1.00 73.25           C  
+ATOM    219  O   LYS A  29      -1.826 -23.469  -4.804  1.00 73.25           O  
+ATOM    220  CG  LYS A  29      -5.495 -24.400  -7.282  1.00 73.25           C  
+ATOM    221  CD  LYS A  29      -6.205 -23.534  -8.314  1.00 73.25           C  
+ATOM    222  CE  LYS A  29      -6.987 -24.379  -9.311  1.00 73.25           C  
+ATOM    223  NZ  LYS A  29      -7.692 -23.533 -10.321  1.00 73.25           N  
+ATOM    224  N   ALA A  30      -3.503 -22.728  -3.528  1.00 69.38           N  
+ATOM    225  CA  ALA A  30      -2.666 -21.816  -2.753  1.00 69.38           C  
+ATOM    226  C   ALA A  30      -1.601 -22.580  -1.970  1.00 69.38           C  
+ATOM    227  CB  ALA A  30      -3.524 -20.983  -1.803  1.00 69.38           C  
+ATOM    228  O   ALA A  30      -0.476 -22.100  -1.809  1.00 69.38           O  
+ATOM    229  N   ALA A  31      -1.954 -23.713  -1.479  1.00 68.43           N  
+ATOM    230  CA  ALA A  31      -1.056 -24.554  -0.693  1.00 68.43           C  
+ATOM    231  C   ALA A  31       0.101 -25.068  -1.545  1.00 68.43           C  
+ATOM    232  CB  ALA A  31      -1.822 -25.724  -0.080  1.00 68.43           C  
+ATOM    233  O   ALA A  31       1.196 -25.314  -1.034  1.00 68.43           O  
+ATOM    234  N   ARG A  32      -0.065 -25.180  -2.823  1.00 71.17           N  
+ATOM    235  CA  ARG A  32       0.942 -25.654  -3.767  1.00 71.17           C  
+ATOM    236  C   ARG A  32       1.661 -24.486  -4.433  1.00 71.17           C  
+ATOM    237  CB  ARG A  32       0.303 -26.551  -4.829  1.00 71.17           C  
+ATOM    238  O   ARG A  32       2.539 -24.689  -5.274  1.00 71.17           O  
+ATOM    239  CG  ARG A  32      -0.169 -27.895  -4.298  1.00 71.17           C  
+ATOM    240  CD  ARG A  32      -0.793 -28.747  -5.395  1.00 71.17           C  
+ATOM    241  NE  ARG A  32      -1.355 -29.984  -4.861  1.00 71.17           N  
+ATOM    242  NH1 ARG A  32      -2.087 -30.775  -6.905  1.00 71.17           N  
+ATOM    243  NH2 ARG A  32      -2.433 -32.007  -5.003  1.00 71.17           N  
+ATOM    244  CZ  ARG A  32      -1.957 -30.919  -5.591  1.00 71.17           C  
+ATOM    245  N   GLU A  33       1.327 -23.299  -3.929  1.00 78.47           N  
+ATOM    246  CA  GLU A  33       1.838 -22.059  -4.505  1.00 78.47           C  
+ATOM    247  C   GLU A  33       3.154 -21.647  -3.851  1.00 78.47           C  
+ATOM    248  CB  GLU A  33       0.806 -20.936  -4.364  1.00 78.47           C  
+ATOM    249  O   GLU A  33       3.293 -21.714  -2.628  1.00 78.47           O  
+ATOM    250  CG  GLU A  33       1.131 -19.696  -5.185  1.00 78.47           C  
+ATOM    251  CD  GLU A  33       0.042 -18.637  -5.127  1.00 78.47           C  
+ATOM    252  OE1 GLU A  33      -0.217 -17.976  -6.159  1.00 78.47           O  
+ATOM    253  OE2 GLU A  33      -0.556 -18.465  -4.042  1.00 78.47           O  
+ATOM    254  N   VAL A  34       4.198 -21.338  -4.579  1.00 84.64           N  
+ATOM    255  CA  VAL A  34       5.481 -20.798  -4.140  1.00 84.64           C  
+ATOM    256  C   VAL A  34       5.480 -19.278  -4.286  1.00 84.64           C  
+ATOM    257  CB  VAL A  34       6.656 -21.410  -4.935  1.00 84.64           C  
+ATOM    258  O   VAL A  34       5.325 -18.755  -5.392  1.00 84.64           O  
+ATOM    259  CG1 VAL A  34       7.987 -20.826  -4.466  1.00 84.64           C  
+ATOM    260  CG2 VAL A  34       6.658 -22.931  -4.798  1.00 84.64           C  
+ATOM    261  N   LYS A  35       5.573 -18.602  -3.102  1.00 87.20           N  
+ATOM    262  CA  LYS A  35       5.559 -17.142  -3.097  1.00 87.20           C  
+ATOM    263  C   LYS A  35       6.977 -16.579  -3.085  1.00 87.20           C  
+ATOM    264  CB  LYS A  35       4.776 -16.617  -1.893  1.00 87.20           C  
+ATOM    265  O   LYS A  35       7.747 -16.840  -2.158  1.00 87.20           O  
+ATOM    266  CG  LYS A  35       3.292 -16.952  -1.925  1.00 87.20           C  
+ATOM    267  CD  LYS A  35       2.554 -16.334  -0.745  1.00 87.20           C  
+ATOM    268  CE  LYS A  35       1.074 -16.690  -0.762  1.00 87.20           C  
+ATOM    269  NZ  LYS A  35       0.343 -16.074   0.386  1.00 87.20           N  
+ATOM    270  N   LEU A  36       7.351 -15.895  -4.188  1.00 91.35           N  
+ATOM    271  CA  LEU A  36       8.661 -15.264  -4.301  1.00 91.35           C  
+ATOM    272  C   LEU A  36       8.551 -13.752  -4.139  1.00 91.35           C  
+ATOM    273  CB  LEU A  36       9.302 -15.599  -5.651  1.00 91.35           C  
+ATOM    274  O   LEU A  36       7.746 -13.107  -4.815  1.00 91.35           O  
+ATOM    275  CG  LEU A  36       9.552 -17.081  -5.933  1.00 91.35           C  
+ATOM    276  CD1 LEU A  36      10.121 -17.265  -7.336  1.00 91.35           C  
+ATOM    277  CD2 LEU A  36      10.491 -17.674  -4.888  1.00 91.35           C  
+ATOM    278  N   LEU A  37       9.261 -13.270  -3.213  1.00 93.23           N  
+ATOM    279  CA  LEU A  37       9.272 -11.834  -2.955  1.00 93.23           C  
+ATOM    280  C   LEU A  37      10.558 -11.199  -3.472  1.00 93.23           C  
+ATOM    281  CB  LEU A  37       9.117 -11.556  -1.458  1.00 93.23           C  
+ATOM    282  O   LEU A  37      11.655 -11.581  -3.056  1.00 93.23           O  
+ATOM    283  CG  LEU A  37       9.098 -10.085  -1.040  1.00 93.23           C  
+ATOM    284  CD1 LEU A  37       7.930  -9.362  -1.701  1.00 93.23           C  
+ATOM    285  CD2 LEU A  37       9.020  -9.962   0.478  1.00 93.23           C  
+ATOM    286  N   LEU A  38      10.393 -10.219  -4.486  1.00 94.15           N  
+ATOM    287  CA  LEU A  38      11.540  -9.502  -5.035  1.00 94.15           C  
+ATOM    288  C   LEU A  38      11.799  -8.216  -4.257  1.00 94.15           C  
+ATOM    289  CB  LEU A  38      11.314  -9.182  -6.514  1.00 94.15           C  
+ATOM    290  O   LEU A  38      10.925  -7.351  -4.171  1.00 94.15           O  
+ATOM    291  CG  LEU A  38      11.250 -10.378  -7.466  1.00 94.15           C  
+ATOM    292  CD1 LEU A  38      10.775  -9.933  -8.845  1.00 94.15           C  
+ATOM    293  CD2 LEU A  38      12.609 -11.062  -7.557  1.00 94.15           C  
+ATOM    294  N   LEU A  39      12.952  -8.098  -3.657  1.00 94.94           N  
+ATOM    295  CA  LEU A  39      13.317  -6.918  -2.880  1.00 94.94           C  
+ATOM    296  C   LEU A  39      14.630  -6.324  -3.379  1.00 94.94           C  
+ATOM    297  CB  LEU A  39      13.434  -7.269  -1.395  1.00 94.94           C  
+ATOM    298  O   LEU A  39      15.437  -7.021  -3.998  1.00 94.94           O  
+ATOM    299  CG  LEU A  39      12.148  -7.725  -0.703  1.00 94.94           C  
+ATOM    300  CD1 LEU A  39      12.452  -8.216   0.709  1.00 94.94           C  
+ATOM    301  CD2 LEU A  39      11.127  -6.593  -0.672  1.00 94.94           C  
+ATOM    302  N   GLY A  40      14.890  -5.096  -3.219  1.00 93.84           N  
+ATOM    303  CA  GLY A  40      16.112  -4.392  -3.573  1.00 93.84           C  
+ATOM    304  C   GLY A  40      15.917  -2.895  -3.723  1.00 93.84           C  
+ATOM    305  O   GLY A  40      14.785  -2.407  -3.711  1.00 93.84           O  
+ATOM    306  N   ALA A  41      17.012  -2.179  -3.791  1.00 91.61           N  
+ATOM    307  CA  ALA A  41      16.958  -0.735  -3.998  1.00 91.61           C  
+ATOM    308  C   ALA A  41      16.390  -0.399  -5.374  1.00 91.61           C  
+ATOM    309  CB  ALA A  41      18.346  -0.121  -3.835  1.00 91.61           C  
+ATOM    310  O   ALA A  41      16.288  -1.271  -6.240  1.00 91.61           O  
+ATOM    311  N   GLY A  42      15.906   0.781  -5.551  1.00 87.50           N  
+ATOM    312  CA  GLY A  42      15.419   1.208  -6.854  1.00 87.50           C  
+ATOM    313  C   GLY A  42      16.428   0.996  -7.967  1.00 87.50           C  
+ATOM    314  O   GLY A  42      17.636   1.105  -7.746  1.00 87.50           O  
+ATOM    315  N   GLU A  43      15.979   0.525  -9.123  1.00 88.10           N  
+ATOM    316  CA  GLU A  43      16.745   0.355 -10.354  1.00 88.10           C  
+ATOM    317  C   GLU A  43      17.724  -0.810 -10.239  1.00 88.10           C  
+ATOM    318  CB  GLU A  43      17.498   1.642 -10.701  1.00 88.10           C  
+ATOM    319  O   GLU A  43      18.792  -0.794 -10.854  1.00 88.10           O  
+ATOM    320  CG  GLU A  43      16.590   2.807 -11.065  1.00 88.10           C  
+ATOM    321  CD  GLU A  43      17.352   4.052 -11.491  1.00 88.10           C  
+ATOM    322  OE1 GLU A  43      16.711   5.093 -11.762  1.00 88.10           O  
+ATOM    323  OE2 GLU A  43      18.599   3.985 -11.557  1.00 88.10           O  
+ATOM    324  N   SER A  44      17.535  -1.711  -9.351  1.00 93.90           N  
+ATOM    325  CA  SER A  44      18.400  -2.861  -9.108  1.00 93.90           C  
+ATOM    326  C   SER A  44      18.126  -3.980 -10.106  1.00 93.90           C  
+ATOM    327  CB  SER A  44      18.214  -3.381  -7.682  1.00 93.90           C  
+ATOM    328  O   SER A  44      18.929  -4.905 -10.246  1.00 93.90           O  
+ATOM    329  OG  SER A  44      16.862  -3.735  -7.449  1.00 93.90           O  
+ATOM    330  N   GLY A  45      16.963  -3.936 -10.887  1.00 92.48           N  
+ATOM    331  CA  GLY A  45      16.670  -4.903 -11.934  1.00 92.48           C  
+ATOM    332  C   GLY A  45      15.556  -5.864 -11.564  1.00 92.48           C  
+ATOM    333  O   GLY A  45      15.438  -6.941 -12.152  1.00 92.48           O  
+ATOM    334  N   LYS A  46      14.713  -5.558 -10.546  1.00 93.05           N  
+ATOM    335  CA  LYS A  46      13.620  -6.391 -10.054  1.00 93.05           C  
+ATOM    336  C   LYS A  46      12.536  -6.560 -11.115  1.00 93.05           C  
+ATOM    337  CB  LYS A  46      13.019  -5.791  -8.782  1.00 93.05           C  
+ATOM    338  O   LYS A  46      12.136  -7.683 -11.428  1.00 93.05           O  
+ATOM    339  CG  LYS A  46      14.001  -5.679  -7.626  1.00 93.05           C  
+ATOM    340  CD  LYS A  46      13.334  -5.118  -6.377  1.00 93.05           C  
+ATOM    341  CE  LYS A  46      12.864  -3.685  -6.588  1.00 93.05           C  
+ATOM    342  NZ  LYS A  46      13.978  -2.799  -7.043  1.00 93.05           N  
+ATOM    343  N   SER A  47      12.112  -5.421 -11.576  1.00 92.42           N  
+ATOM    344  CA  SER A  47      11.041  -5.435 -12.567  1.00 92.42           C  
+ATOM    345  C   SER A  47      11.477  -6.150 -13.841  1.00 92.42           C  
+ATOM    346  CB  SER A  47      10.598  -4.009 -12.898  1.00 92.42           C  
+ATOM    347  O   SER A  47      10.675  -6.830 -14.484  1.00 92.42           O  
+ATOM    348  OG  SER A  47      10.020  -3.386 -11.764  1.00 92.42           O  
+ATOM    349  N   THR A  48      12.780  -5.983 -14.144  1.00 93.79           N  
+ATOM    350  CA  THR A  48      13.333  -6.646 -15.320  1.00 93.79           C  
+ATOM    351  C   THR A  48      13.297  -8.162 -15.152  1.00 93.79           C  
+ATOM    352  CB  THR A  48      14.779  -6.191 -15.590  1.00 93.79           C  
+ATOM    353  O   THR A  48      12.985  -8.890 -16.097  1.00 93.79           O  
+ATOM    354  CG2 THR A  48      15.318  -6.807 -16.877  1.00 93.79           C  
+ATOM    355  OG1 THR A  48      14.809  -4.763 -15.708  1.00 93.79           O  
+ATOM    356  N   ILE A  49      13.601  -8.674 -14.021  1.00 93.31           N  
+ATOM    357  CA  ILE A  49      13.559 -10.097 -13.705  1.00 93.31           C  
+ATOM    358  C   ILE A  49      12.129 -10.616 -13.848  1.00 93.31           C  
+ATOM    359  CB  ILE A  49      14.089 -10.376 -12.281  1.00 93.31           C  
+ATOM    360  O   ILE A  49      11.910 -11.718 -14.356  1.00 93.31           O  
+ATOM    361  CG1 ILE A  49      15.598 -10.111 -12.212  1.00 93.31           C  
+ATOM    362  CG2 ILE A  49      13.766 -11.811 -11.855  1.00 93.31           C  
+ATOM    363  CD1 ILE A  49      16.176 -10.185 -10.805  1.00 93.31           C  
+ATOM    364  N   VAL A  50      11.102  -9.864 -13.421  1.00 91.59           N  
+ATOM    365  CA  VAL A  50       9.696 -10.233 -13.545  1.00 91.59           C  
+ATOM    366  C   VAL A  50       9.318 -10.340 -15.021  1.00 91.59           C  
+ATOM    367  CB  VAL A  50       8.777  -9.217 -12.832  1.00 91.59           C  
+ATOM    368  O   VAL A  50       8.636 -11.285 -15.426  1.00 91.59           O  
+ATOM    369  CG1 VAL A  50       7.309  -9.513 -13.131  1.00 91.59           C  
+ATOM    370  CG2 VAL A  50       9.032  -9.233 -11.326  1.00 91.59           C  
+ATOM    371  N   LYS A  51       9.764  -9.358 -15.854  1.00 91.93           N  
+ATOM    372  CA  LYS A  51       9.505  -9.393 -17.291  1.00 91.93           C  
+ATOM    373  C   LYS A  51      10.095 -10.649 -17.926  1.00 91.93           C  
+ATOM    374  CB  LYS A  51      10.075  -8.146 -17.969  1.00 91.93           C  
+ATOM    375  O   LYS A  51       9.493 -11.237 -18.826  1.00 91.93           O  
+ATOM    376  CG  LYS A  51       9.306  -6.869 -17.664  1.00 91.93           C  
+ATOM    377  CD  LYS A  51       9.973  -5.651 -18.289  1.00 91.93           C  
+ATOM    378  CE  LYS A  51       9.271  -4.360 -17.889  1.00 91.93           C  
+ATOM    379  NZ  LYS A  51       9.997  -3.156 -18.392  1.00 91.93           N  
+ATOM    380  N   GLN A  52      11.240 -11.047 -17.397  1.00 93.09           N  
+ATOM    381  CA  GLN A  52      11.914 -12.233 -17.917  1.00 93.09           C  
+ATOM    382  C   GLN A  52      11.086 -13.490 -17.666  1.00 93.09           C  
+ATOM    383  CB  GLN A  52      13.300 -12.382 -17.289  1.00 93.09           C  
+ATOM    384  O   GLN A  52      11.087 -14.414 -18.482  1.00 93.09           O  
+ATOM    385  CG  GLN A  52      14.320 -11.375 -17.803  1.00 93.09           C  
+ATOM    386  CD  GLN A  52      14.787 -11.680 -19.214  1.00 93.09           C  
+ATOM    387  NE2 GLN A  52      15.756 -10.910 -19.698  1.00 93.09           N  
+ATOM    388  OE1 GLN A  52      14.282 -12.601 -19.864  1.00 93.09           O  
+ATOM    389  N   MET A  53      10.372 -13.511 -16.565  1.00 90.21           N  
+ATOM    390  CA  MET A  53       9.560 -14.676 -16.223  1.00 90.21           C  
+ATOM    391  C   MET A  53       8.451 -14.886 -17.249  1.00 90.21           C  
+ATOM    392  CB  MET A  53       8.957 -14.520 -14.826  1.00 90.21           C  
+ATOM    393  O   MET A  53       8.100 -16.025 -17.565  1.00 90.21           O  
+ATOM    394  CG  MET A  53       9.988 -14.532 -13.709  1.00 90.21           C  
+ATOM    395  SD  MET A  53      11.014 -16.053 -13.715  1.00 90.21           S  
+ATOM    396  CE  MET A  53      12.655 -15.333 -13.429  1.00 90.21           C  
+ATOM    397  N   LYS A  54       7.949 -13.757 -17.716  1.00 89.64           N  
+ATOM    398  CA  LYS A  54       6.933 -13.836 -18.761  1.00 89.64           C  
+ATOM    399  C   LYS A  54       7.508 -14.429 -20.043  1.00 89.64           C  
+ATOM    400  CB  LYS A  54       6.343 -12.453 -19.042  1.00 89.64           C  
+ATOM    401  O   LYS A  54       6.862 -15.250 -20.698  1.00 89.64           O  
+ATOM    402  CG  LYS A  54       5.155 -12.468 -19.991  1.00 89.64           C  
+ATOM    403  CD  LYS A  54       4.465 -11.110 -20.046  1.00 89.64           C  
+ATOM    404  CE  LYS A  54       3.266 -11.129 -20.983  1.00 89.64           C  
+ATOM    405  NZ  LYS A  54       2.508  -9.842 -20.939  1.00 89.64           N  
+ATOM    406  N   ILE A  55       8.721 -14.064 -20.379  1.00 90.69           N  
+ATOM    407  CA  ILE A  55       9.398 -14.524 -21.586  1.00 90.69           C  
+ATOM    408  C   ILE A  55       9.775 -15.997 -21.438  1.00 90.69           C  
+ATOM    409  CB  ILE A  55      10.655 -13.677 -21.888  1.00 90.69           C  
+ATOM    410  O   ILE A  55       9.566 -16.793 -22.356  1.00 90.69           O  
+ATOM    411  CG1 ILE A  55      10.259 -12.233 -22.217  1.00 90.69           C  
+ATOM    412  CG2 ILE A  55      11.463 -14.298 -23.031  1.00 90.69           C  
+ATOM    413  CD1 ILE A  55      11.442 -11.287 -22.372  1.00 90.69           C  
+ATOM    414  N   ILE A  56      10.277 -16.428 -20.342  1.00 89.08           N  
+ATOM    415  CA  ILE A  56      10.848 -17.751 -20.114  1.00 89.08           C  
+ATOM    416  C   ILE A  56       9.731 -18.758 -19.853  1.00 89.08           C  
+ATOM    417  CB  ILE A  56      11.847 -17.740 -18.935  1.00 89.08           C  
+ATOM    418  O   ILE A  56       9.765 -19.879 -20.365  1.00 89.08           O  
+ATOM    419  CG1 ILE A  56      13.069 -16.881 -19.279  1.00 89.08           C  
+ATOM    420  CG2 ILE A  56      12.265 -19.167 -18.569  1.00 89.08           C  
+ATOM    421  CD1 ILE A  56      13.988 -16.610 -18.095  1.00 89.08           C  
+ATOM    422  N   HIS A  57       8.698 -18.463 -19.167  1.00 85.71           N  
+ATOM    423  CA  HIS A  57       7.768 -19.446 -18.624  1.00 85.71           C  
+ATOM    424  C   HIS A  57       6.366 -19.251 -19.191  1.00 85.71           C  
+ATOM    425  CB  HIS A  57       7.732 -19.364 -17.096  1.00 85.71           C  
+ATOM    426  O   HIS A  57       5.482 -20.082 -18.973  1.00 85.71           O  
+ATOM    427  CG  HIS A  57       9.022 -19.749 -16.445  1.00 85.71           C  
+ATOM    428  CD2 HIS A  57       9.904 -19.022 -15.720  1.00 85.71           C  
+ATOM    429  ND1 HIS A  57       9.535 -21.027 -16.507  1.00 85.71           N  
+ATOM    430  CE1 HIS A  57      10.680 -21.068 -15.846  1.00 85.71           C  
+ATOM    431  NE2 HIS A  57      10.926 -19.864 -15.358  1.00 85.71           N  
+ATOM    432  N   GLU A  58       6.153 -18.225 -19.943  1.00 84.96           N  
+ATOM    433  CA  GLU A  58       4.914 -18.016 -20.687  1.00 84.96           C  
+ATOM    434  C   GLU A  58       5.183 -17.904 -22.185  1.00 84.96           C  
+ATOM    435  CB  GLU A  58       4.191 -16.763 -20.187  1.00 84.96           C  
+ATOM    436  O   GLU A  58       6.138 -18.493 -22.695  1.00 84.96           O  
+ATOM    437  CG  GLU A  58       3.727 -16.856 -18.741  1.00 84.96           C  
+ATOM    438  CD  GLU A  58       2.975 -15.621 -18.271  1.00 84.96           C  
+ATOM    439  OE1 GLU A  58       2.625 -15.543 -17.072  1.00 84.96           O  
+ATOM    440  OE2 GLU A  58       2.733 -14.724 -19.110  1.00 84.96           O  
+ATOM    441  N   ALA A  59       4.275 -17.187 -22.981  1.00 85.26           N  
+ATOM    442  CA  ALA A  59       4.425 -17.098 -24.431  1.00 85.26           C  
+ATOM    443  C   ALA A  59       5.176 -15.830 -24.828  1.00 85.26           C  
+ATOM    444  CB  ALA A  59       3.059 -17.137 -25.111  1.00 85.26           C  
+ATOM    445  O   ALA A  59       5.297 -15.519 -26.015  1.00 85.26           O  
+ATOM    446  N   GLY A  60       5.844 -15.230 -23.736  1.00 88.43           N  
+ATOM    447  CA  GLY A  60       6.485 -13.958 -24.031  1.00 88.43           C  
+ATOM    448  C   GLY A  60       5.496 -12.846 -24.327  1.00 88.43           C  
+ATOM    449  O   GLY A  60       4.323 -12.937 -23.959  1.00 88.43           O  
+ATOM    450  N   TYR A  61       5.918 -11.721 -24.927  1.00 90.87           N  
+ATOM    451  CA  TYR A  61       5.077 -10.569 -25.232  1.00 90.87           C  
+ATOM    452  C   TYR A  61       4.510 -10.666 -26.643  1.00 90.87           C  
+ATOM    453  CB  TYR A  61       5.870  -9.268 -25.077  1.00 90.87           C  
+ATOM    454  O   TYR A  61       5.253 -10.874 -27.605  1.00 90.87           O  
+ATOM    455  CG  TYR A  61       6.306  -8.988 -23.659  1.00 90.87           C  
+ATOM    456  CD1 TYR A  61       5.499  -8.251 -22.794  1.00 90.87           C  
+ATOM    457  CD2 TYR A  61       7.524  -9.457 -23.182  1.00 90.87           C  
+ATOM    458  CE1 TYR A  61       5.897  -7.989 -21.487  1.00 90.87           C  
+ATOM    459  CE2 TYR A  61       7.933  -9.201 -21.877  1.00 90.87           C  
+ATOM    460  OH  TYR A  61       7.512  -8.211 -19.746  1.00 90.87           O  
+ATOM    461  CZ  TYR A  61       7.113  -8.468 -21.038  1.00 90.87           C  
+ATOM    462  N   SER A  62       3.128 -10.598 -26.676  1.00 91.90           N  
+ATOM    463  CA  SER A  62       2.487 -10.584 -27.987  1.00 91.90           C  
+ATOM    464  C   SER A  62       2.819  -9.306 -28.750  1.00 91.90           C  
+ATOM    465  CB  SER A  62       0.971 -10.723 -27.844  1.00 91.90           C  
+ATOM    466  O   SER A  62       3.265  -8.321 -28.159  1.00 91.90           O  
+ATOM    467  OG  SER A  62       0.412  -9.560 -27.258  1.00 91.90           O  
+ATOM    468  N   GLU A  63       2.704  -9.266 -30.005  1.00 91.01           N  
+ATOM    469  CA  GLU A  63       2.948  -8.082 -30.824  1.00 91.01           C  
+ATOM    470  C   GLU A  63       2.142  -6.888 -30.321  1.00 91.01           C  
+ATOM    471  CB  GLU A  63       2.613  -8.363 -32.291  1.00 91.01           C  
+ATOM    472  O   GLU A  63       2.642  -5.762 -30.292  1.00 91.01           O  
+ATOM    473  CG  GLU A  63       3.018  -7.245 -33.239  1.00 91.01           C  
+ATOM    474  CD  GLU A  63       2.791  -7.588 -34.703  1.00 91.01           C  
+ATOM    475  OE1 GLU A  63       2.685  -6.659 -35.535  1.00 91.01           O  
+ATOM    476  OE2 GLU A  63       2.718  -8.796 -35.020  1.00 91.01           O  
+ATOM    477  N   GLU A  64       0.864  -7.160 -29.936  1.00 91.13           N  
+ATOM    478  CA  GLU A  64      -0.003  -6.116 -29.398  1.00 91.13           C  
+ATOM    479  C   GLU A  64       0.568  -5.534 -28.108  1.00 91.13           C  
+ATOM    480  CB  GLU A  64      -1.412  -6.661 -29.152  1.00 91.13           C  
+ATOM    481  O   GLU A  64       0.545  -4.319 -27.905  1.00 91.13           O  
+ATOM    482  CG  GLU A  64      -2.200  -6.927 -30.426  1.00 91.13           C  
+ATOM    483  CD  GLU A  64      -2.277  -5.720 -31.347  1.00 91.13           C  
+ATOM    484  OE1 GLU A  64      -2.476  -5.901 -32.570  1.00 91.13           O  
+ATOM    485  OE2 GLU A  64      -2.137  -4.584 -30.842  1.00 91.13           O  
+ATOM    486  N   GLU A  65       1.039  -6.419 -27.233  1.00 90.46           N  
+ATOM    487  CA  GLU A  65       1.655  -6.002 -25.977  1.00 90.46           C  
+ATOM    488  C   GLU A  65       2.921  -5.189 -26.227  1.00 90.46           C  
+ATOM    489  CB  GLU A  65       1.975  -7.219 -25.104  1.00 90.46           C  
+ATOM    490  O   GLU A  65       3.179  -4.203 -25.533  1.00 90.46           O  
+ATOM    491  CG  GLU A  65       0.746  -7.886 -24.504  1.00 90.46           C  
+ATOM    492  CD  GLU A  65       1.067  -9.163 -23.744  1.00 90.46           C  
+ATOM    493  OE1 GLU A  65       0.424  -9.428 -22.703  1.00 90.46           O  
+ATOM    494  OE2 GLU A  65       1.970  -9.904 -24.192  1.00 90.46           O  
+ATOM    495  N   CYS A  66       3.674  -5.643 -27.153  1.00 92.82           N  
+ATOM    496  CA  CYS A  66       4.903  -4.944 -27.511  1.00 92.82           C  
+ATOM    497  C   CYS A  66       4.602  -3.542 -28.028  1.00 92.82           C  
+ATOM    498  CB  CYS A  66       5.679  -5.731 -28.566  1.00 92.82           C  
+ATOM    499  O   CYS A  66       5.334  -2.596 -27.731  1.00 92.82           O  
+ATOM    500  SG  CYS A  66       6.463  -7.227 -27.927  1.00 92.82           S  
+ATOM    501  N   LYS A  67       3.506  -3.378 -28.734  1.00 92.48           N  
+ATOM    502  CA  LYS A  67       3.095  -2.086 -29.275  1.00 92.48           C  
+ATOM    503  C   LYS A  67       2.796  -1.092 -28.156  1.00 92.48           C  
+ATOM    504  CB  LYS A  67       1.869  -2.246 -30.175  1.00 92.48           C  
+ATOM    505  O   LYS A  67       3.035   0.108 -28.305  1.00 92.48           O  
+ATOM    506  CG  LYS A  67       2.186  -2.787 -31.561  1.00 92.48           C  
+ATOM    507  CD  LYS A  67       0.938  -2.859 -32.432  1.00 92.48           C  
+ATOM    508  CE  LYS A  67       1.245  -3.449 -33.802  1.00 92.48           C  
+ATOM    509  NZ  LYS A  67       0.010  -3.601 -34.628  1.00 92.48           N  
+ATOM    510  N   GLN A  68       2.311  -1.595 -27.081  1.00 91.41           N  
+ATOM    511  CA  GLN A  68       1.960  -0.749 -25.945  1.00 91.41           C  
+ATOM    512  C   GLN A  68       3.207  -0.162 -25.290  1.00 91.41           C  
+ATOM    513  CB  GLN A  68       1.148  -1.538 -24.917  1.00 91.41           C  
+ATOM    514  O   GLN A  68       3.135   0.868 -24.617  1.00 91.41           O  
+ATOM    515  CG  GLN A  68      -0.245  -1.922 -25.396  1.00 91.41           C  
+ATOM    516  CD  GLN A  68      -0.980  -2.813 -24.413  1.00 91.41           C  
+ATOM    517  NE2 GLN A  68      -2.193  -3.219 -24.772  1.00 91.41           N  
+ATOM    518  OE1 GLN A  68      -0.461  -3.135 -23.339  1.00 91.41           O  
+ATOM    519  N   TYR A  69       4.355  -0.789 -25.541  1.00 93.17           N  
+ATOM    520  CA  TYR A  69       5.594  -0.366 -24.897  1.00 93.17           C  
+ATOM    521  C   TYR A  69       6.323   0.670 -25.743  1.00 93.17           C  
+ATOM    522  CB  TYR A  69       6.507  -1.570 -24.644  1.00 93.17           C  
+ATOM    523  O   TYR A  69       7.329   1.238 -25.311  1.00 93.17           O  
+ATOM    524  CG  TYR A  69       6.194  -2.312 -23.368  1.00 93.17           C  
+ATOM    525  CD1 TYR A  69       6.791  -1.947 -22.163  1.00 93.17           C  
+ATOM    526  CD2 TYR A  69       5.302  -3.379 -23.363  1.00 93.17           C  
+ATOM    527  CE1 TYR A  69       6.507  -2.629 -20.984  1.00 93.17           C  
+ATOM    528  CE2 TYR A  69       5.011  -4.068 -22.190  1.00 93.17           C  
+ATOM    529  OH  TYR A  69       5.332  -4.365 -19.844  1.00 93.17           O  
+ATOM    530  CZ  TYR A  69       5.617  -3.686 -21.008  1.00 93.17           C  
+ATOM    531  N   LYS A  70       5.801   0.843 -26.861  1.00 93.24           N  
+ATOM    532  CA  LYS A  70       6.375   1.809 -27.793  1.00 93.24           C  
+ATOM    533  C   LYS A  70       6.478   3.192 -27.157  1.00 93.24           C  
+ATOM    534  CB  LYS A  70       5.541   1.881 -29.073  1.00 93.24           C  
+ATOM    535  O   LYS A  70       7.522   3.842 -27.237  1.00 93.24           O  
+ATOM    536  CG  LYS A  70       6.160   2.739 -30.167  1.00 93.24           C  
+ATOM    537  CD  LYS A  70       5.332   2.697 -31.445  1.00 93.24           C  
+ATOM    538  CE  LYS A  70       5.946   3.561 -32.538  1.00 93.24           C  
+ATOM    539  NZ  LYS A  70       5.161   3.489 -33.808  1.00 93.24           N  
+ATOM    540  N   ALA A  71       5.463   3.619 -26.540  1.00 91.57           N  
+ATOM    541  CA  ALA A  71       5.430   4.930 -25.896  1.00 91.57           C  
+ATOM    542  C   ALA A  71       6.490   5.031 -24.803  1.00 91.57           C  
+ATOM    543  CB  ALA A  71       4.044   5.203 -25.316  1.00 91.57           C  
+ATOM    544  O   ALA A  71       7.141   6.068 -24.654  1.00 91.57           O  
+ATOM    545  N   VAL A  72       6.651   3.974 -24.154  1.00 93.31           N  
+ATOM    546  CA  VAL A  72       7.598   3.941 -23.045  1.00 93.31           C  
+ATOM    547  C   VAL A  72       9.026   4.020 -23.581  1.00 93.31           C  
+ATOM    548  CB  VAL A  72       7.422   2.670 -22.185  1.00 93.31           C  
+ATOM    549  O   VAL A  72       9.860   4.749 -23.039  1.00 93.31           O  
+ATOM    550  CG1 VAL A  72       8.420   2.657 -21.029  1.00 93.31           C  
+ATOM    551  CG2 VAL A  72       5.990   2.576 -21.660  1.00 93.31           C  
+ATOM    552  N   VAL A  73       9.329   3.246 -24.594  1.00 94.94           N  
+ATOM    553  CA  VAL A  73      10.647   3.241 -25.221  1.00 94.94           C  
+ATOM    554  C   VAL A  73      10.995   4.648 -25.702  1.00 94.94           C  
+ATOM    555  CB  VAL A  73      10.712   2.244 -26.399  1.00 94.94           C  
+ATOM    556  O   VAL A  73      12.097   5.142 -25.449  1.00 94.94           O  
+ATOM    557  CG1 VAL A  73      12.016   2.411 -27.176  1.00 94.94           C  
+ATOM    558  CG2 VAL A  73      10.567   0.810 -25.892  1.00 94.94           C  
+ATOM    559  N   TYR A  74      10.058   5.292 -26.340  1.00 94.09           N  
+ATOM    560  CA  TYR A  74      10.256   6.650 -26.835  1.00 94.09           C  
+ATOM    561  C   TYR A  74      10.531   7.614 -25.688  1.00 94.09           C  
+ATOM    562  CB  TYR A  74       9.032   7.118 -27.628  1.00 94.09           C  
+ATOM    563  O   TYR A  74      11.450   8.434 -25.764  1.00 94.09           O  
+ATOM    564  CG  TYR A  74       8.911   6.479 -28.990  1.00 94.09           C  
+ATOM    565  CD1 TYR A  74       9.935   5.687 -29.504  1.00 94.09           C  
+ATOM    566  CD2 TYR A  74       7.772   6.666 -29.767  1.00 94.09           C  
+ATOM    567  CE1 TYR A  74       9.829   5.098 -30.759  1.00 94.09           C  
+ATOM    568  CE2 TYR A  74       7.655   6.082 -31.024  1.00 94.09           C  
+ATOM    569  OH  TYR A  74       8.575   4.720 -32.754  1.00 94.09           O  
+ATOM    570  CZ  TYR A  74       8.686   5.300 -31.510  1.00 94.09           C  
+ATOM    571  N   SER A  75       9.722   7.496 -24.734  1.00 92.40           N  
+ATOM    572  CA  SER A  75       9.872   8.355 -23.565  1.00 92.40           C  
+ATOM    573  C   SER A  75      11.238   8.168 -22.913  1.00 92.40           C  
+ATOM    574  CB  SER A  75       8.769   8.071 -22.545  1.00 92.40           C  
+ATOM    575  O   SER A  75      11.911   9.145 -22.576  1.00 92.40           O  
+ATOM    576  OG  SER A  75       8.967   8.830 -21.365  1.00 92.40           O  
+ATOM    577  N   ASN A  76      11.647   6.872 -22.618  1.00 94.10           N  
+ATOM    578  CA  ASN A  76      12.941   6.580 -22.012  1.00 94.10           C  
+ATOM    579  C   ASN A  76      14.090   7.139 -22.845  1.00 94.10           C  
+ATOM    580  CB  ASN A  76      13.113   5.072 -21.814  1.00 94.10           C  
+ATOM    581  O   ASN A  76      15.074   7.640 -22.298  1.00 94.10           O  
+ATOM    582  CG  ASN A  76      12.255   4.529 -20.689  1.00 94.10           C  
+ATOM    583  ND2 ASN A  76      11.657   5.426 -19.913  1.00 94.10           N  
+ATOM    584  OD1 ASN A  76      12.131   3.314 -20.517  1.00 94.10           O  
+ATOM    585  N   THR A  77      13.952   7.094 -24.257  1.00 95.32           N  
+ATOM    586  CA  THR A  77      14.967   7.589 -25.179  1.00 95.32           C  
+ATOM    587  C   THR A  77      15.093   9.107 -25.082  1.00 95.32           C  
+ATOM    588  CB  THR A  77      14.645   7.190 -26.631  1.00 95.32           C  
+ATOM    589  O   THR A  77      16.198   9.636 -24.946  1.00 95.32           O  
+ATOM    590  CG2 THR A  77      15.737   7.660 -27.587  1.00 95.32           C  
+ATOM    591  OG1 THR A  77      14.534   5.764 -26.715  1.00 95.32           O  
+ATOM    592  N   ILE A  78      14.011   9.783 -25.118  1.00 94.01           N  
+ATOM    593  CA  ILE A  78      13.962  11.240 -25.074  1.00 94.01           C  
+ATOM    594  C   ILE A  78      14.475  11.733 -23.722  1.00 94.01           C  
+ATOM    595  CB  ILE A  78      12.532  11.766 -25.328  1.00 94.01           C  
+ATOM    596  O   ILE A  78      15.303  12.645 -23.660  1.00 94.01           O  
+ATOM    597  CG1 ILE A  78      12.094  11.450 -26.763  1.00 94.01           C  
+ATOM    598  CG2 ILE A  78      12.452  13.270 -25.050  1.00 94.01           C  
+ATOM    599  CD1 ILE A  78      10.613  11.688 -27.025  1.00 94.01           C  
+ATOM    600  N   GLN A  79      14.042  11.127 -22.685  1.00 93.28           N  
+ATOM    601  CA  GLN A  79      14.438  11.516 -21.335  1.00 93.28           C  
+ATOM    602  C   GLN A  79      15.935  11.309 -21.121  1.00 93.28           C  
+ATOM    603  CB  GLN A  79      13.645  10.726 -20.294  1.00 93.28           C  
+ATOM    604  O   GLN A  79      16.580  12.089 -20.417  1.00 93.28           O  
+ATOM    605  CG  GLN A  79      12.192  11.165 -20.163  1.00 93.28           C  
+ATOM    606  CD  GLN A  79      11.421  10.348 -19.144  1.00 93.28           C  
+ATOM    607  NE2 GLN A  79      10.170  10.726 -18.905  1.00 93.28           N  
+ATOM    608  OE1 GLN A  79      11.945   9.384 -18.577  1.00 93.28           O  
+ATOM    609  N   SER A  80      16.470  10.243 -21.693  1.00 95.93           N  
+ATOM    610  CA  SER A  80      17.892   9.942 -21.562  1.00 95.93           C  
+ATOM    611  C   SER A  80      18.749  11.025 -22.209  1.00 95.93           C  
+ATOM    612  CB  SER A  80      18.213   8.584 -22.189  1.00 95.93           C  
+ATOM    613  O   SER A  80      19.722  11.492 -21.614  1.00 95.93           O  
+ATOM    614  OG  SER A  80      17.621   7.534 -21.444  1.00 95.93           O  
+ATOM    615  N   ILE A  81      18.381  11.464 -23.425  1.00 96.86           N  
+ATOM    616  CA  ILE A  81      19.166  12.481 -24.117  1.00 96.86           C  
+ATOM    617  C   ILE A  81      18.985  13.831 -23.427  1.00 96.86           C  
+ATOM    618  CB  ILE A  81      18.770  12.583 -25.608  1.00 96.86           C  
+ATOM    619  O   ILE A  81      19.933  14.613 -23.320  1.00 96.86           O  
+ATOM    620  CG1 ILE A  81      19.772  13.460 -26.367  1.00 96.86           C  
+ATOM    621  CG2 ILE A  81      17.346  13.127 -25.752  1.00 96.86           C  
+ATOM    622  CD1 ILE A  81      21.193  12.915 -26.372  1.00 96.86           C  
+ATOM    623  N   ILE A  82      17.902  14.151 -22.942  1.00 95.30           N  
+ATOM    624  CA  ILE A  82      17.649  15.381 -22.200  1.00 95.30           C  
+ATOM    625  C   ILE A  82      18.502  15.404 -20.934  1.00 95.30           C  
+ATOM    626  CB  ILE A  82      16.153  15.527 -21.841  1.00 95.30           C  
+ATOM    627  O   ILE A  82      19.092  16.432 -20.594  1.00 95.30           O  
+ATOM    628  CG1 ILE A  82      15.341  15.909 -23.084  1.00 95.30           C  
+ATOM    629  CG2 ILE A  82      15.963  16.558 -20.725  1.00 95.30           C  
+ATOM    630  CD1 ILE A  82      13.844  16.031 -22.832  1.00 95.30           C  
+ATOM    631  N   ALA A  83      18.479  14.261 -20.247  1.00 95.31           N  
+ATOM    632  CA  ALA A  83      19.289  14.155 -19.035  1.00 95.31           C  
+ATOM    633  C   ALA A  83      20.758  14.439 -19.332  1.00 95.31           C  
+ATOM    634  CB  ALA A  83      19.132  12.771 -18.410  1.00 95.31           C  
+ATOM    635  O   ALA A  83      21.430  15.132 -18.564  1.00 95.31           O  
+ATOM    636  N   ILE A  84      21.258  13.958 -20.442  1.00 97.45           N  
+ATOM    637  CA  ILE A  84      22.650  14.148 -20.835  1.00 97.45           C  
+ATOM    638  C   ILE A  84      22.902  15.621 -21.147  1.00 97.45           C  
+ATOM    639  CB  ILE A  84      23.019  13.271 -22.053  1.00 97.45           C  
+ATOM    640  O   ILE A  84      23.889  16.200 -20.686  1.00 97.45           O  
+ATOM    641  CG1 ILE A  84      22.947  11.785 -21.683  1.00 97.45           C  
+ATOM    642  CG2 ILE A  84      24.409  13.638 -22.581  1.00 97.45           C  
+ATOM    643  CD1 ILE A  84      23.072  10.844 -22.873  1.00 97.45           C  
+ATOM    644  N   ILE A  85      22.027  16.240 -21.886  1.00 96.83           N  
+ATOM    645  CA  ILE A  85      22.173  17.631 -22.298  1.00 96.83           C  
+ATOM    646  C   ILE A  85      22.104  18.542 -21.075  1.00 96.83           C  
+ATOM    647  CB  ILE A  85      21.092  18.033 -23.327  1.00 96.83           C  
+ATOM    648  O   ILE A  85      22.881  19.492 -20.956  1.00 96.83           O  
+ATOM    649  CG1 ILE A  85      21.239  17.203 -24.608  1.00 96.83           C  
+ATOM    650  CG2 ILE A  85      21.168  19.531 -23.633  1.00 96.83           C  
+ATOM    651  CD1 ILE A  85      22.594  17.348 -25.287  1.00 96.83           C  
+ATOM    652  N   ARG A  86      21.261  18.346 -20.185  1.00 95.36           N  
+ATOM    653  CA  ARG A  86      21.170  19.110 -18.945  1.00 95.36           C  
+ATOM    654  C   ARG A  86      22.449  18.977 -18.125  1.00 95.36           C  
+ATOM    655  CB  ARG A  86      19.967  18.651 -18.118  1.00 95.36           C  
+ATOM    656  O   ARG A  86      22.932  19.958 -17.556  1.00 95.36           O  
+ATOM    657  CG  ARG A  86      18.633  19.168 -18.632  1.00 95.36           C  
+ATOM    658  CD  ARG A  86      17.478  18.730 -17.742  1.00 95.36           C  
+ATOM    659  NE  ARG A  86      16.197  19.224 -18.240  1.00 95.36           N  
+ATOM    660  NH1 ARG A  86      14.911  17.865 -16.885  1.00 95.36           N  
+ATOM    661  NH2 ARG A  86      13.905  19.321 -18.341  1.00 95.36           N  
+ATOM    662  CZ  ARG A  86      15.007  18.802 -17.821  1.00 95.36           C  
+ATOM    663  N   ALA A  87      22.939  17.791 -18.051  1.00 95.50           N  
+ATOM    664  CA  ALA A  87      24.162  17.521 -17.299  1.00 95.50           C  
+ATOM    665  C   ALA A  87      25.352  18.260 -17.904  1.00 95.50           C  
+ATOM    666  CB  ALA A  87      24.439  16.020 -17.254  1.00 95.50           C  
+ATOM    667  O   ALA A  87      26.286  18.634 -17.191  1.00 95.50           O  
+ATOM    668  N   MET A  88      25.315  18.382 -19.193  1.00 96.53           N  
+ATOM    669  CA  MET A  88      26.369  19.126 -19.877  1.00 96.53           C  
+ATOM    670  C   MET A  88      26.472  20.548 -19.334  1.00 96.53           C  
+ATOM    671  CB  MET A  88      26.113  19.159 -21.385  1.00 96.53           C  
+ATOM    672  O   MET A  88      27.574  21.070 -19.156  1.00 96.53           O  
+ATOM    673  CG  MET A  88      26.401  17.841 -22.085  1.00 96.53           C  
+ATOM    674  SD  MET A  88      26.092  17.923 -23.892  1.00 96.53           S  
+ATOM    675  CE  MET A  88      27.457  19.005 -24.401  1.00 96.53           C  
+ATOM    676  N   GLY A  89      25.357  21.200 -19.084  1.00 93.25           N  
+ATOM    677  CA  GLY A  89      25.329  22.516 -18.467  1.00 93.25           C  
+ATOM    678  C   GLY A  89      25.929  22.535 -17.073  1.00 93.25           C  
+ATOM    679  O   GLY A  89      26.736  23.409 -16.751  1.00 93.25           O  
+ATOM    680  N   ARG A  90      25.619  21.551 -16.282  1.00 92.62           N  
+ATOM    681  CA  ARG A  90      26.084  21.433 -14.904  1.00 92.62           C  
+ATOM    682  C   ARG A  90      27.577  21.124 -14.854  1.00 92.62           C  
+ATOM    683  CB  ARG A  90      25.299  20.349 -14.162  1.00 92.62           C  
+ATOM    684  O   ARG A  90      28.302  21.672 -14.021  1.00 92.62           O  
+ATOM    685  CG  ARG A  90      23.863  20.736 -13.846  1.00 92.62           C  
+ATOM    686  CD  ARG A  90      23.134  19.631 -13.094  1.00 92.62           C  
+ATOM    687  NE  ARG A  90      21.725  19.956 -12.892  1.00 92.62           N  
+ATOM    688  NH1 ARG A  90      21.220  17.996 -11.778  1.00 92.62           N  
+ATOM    689  NH2 ARG A  90      19.589  19.565 -12.143  1.00 92.62           N  
+ATOM    690  CZ  ARG A  90      20.848  19.172 -12.271  1.00 92.62           C  
+ATOM    691  N   LEU A  91      28.014  20.288 -15.802  1.00 94.57           N  
+ATOM    692  CA  LEU A  91      29.395  19.818 -15.814  1.00 94.57           C  
+ATOM    693  C   LEU A  91      30.270  20.720 -16.678  1.00 94.57           C  
+ATOM    694  CB  LEU A  91      29.467  18.376 -16.324  1.00 94.57           C  
+ATOM    695  O   LEU A  91      31.475  20.492 -16.800  1.00 94.57           O  
+ATOM    696  CG  LEU A  91      28.797  17.314 -15.451  1.00 94.57           C  
+ATOM    697  CD1 LEU A  91      28.814  15.961 -16.156  1.00 94.57           C  
+ATOM    698  CD2 LEU A  91      29.487  17.224 -14.094  1.00 94.57           C  
+ATOM    699  N   LYS A  92      29.618  21.742 -17.189  1.00 95.37           N  
+ATOM    700  CA  LYS A  92      30.293  22.753 -17.998  1.00 95.37           C  
+ATOM    701  C   LYS A  92      31.034  22.115 -19.170  1.00 95.37           C  
+ATOM    702  CB  LYS A  92      31.266  23.563 -17.141  1.00 95.37           C  
+ATOM    703  O   LYS A  92      32.200  22.428 -19.418  1.00 95.37           O  
+ATOM    704  CG  LYS A  92      30.598  24.359 -16.030  1.00 95.37           C  
+ATOM    705  CD  LYS A  92      31.595  25.258 -15.309  1.00 95.37           C  
+ATOM    706  CE  LYS A  92      30.920  26.083 -14.221  1.00 95.37           C  
+ATOM    707  NZ  LYS A  92      31.889  26.981 -13.526  1.00 95.37           N  
+ATOM    708  N   ILE A  93      30.423  21.193 -19.921  1.00 95.89           N  
+ATOM    709  CA  ILE A  93      30.939  20.541 -21.120  1.00 95.89           C  
+ATOM    710  C   ILE A  93      30.383  21.232 -22.363  1.00 95.89           C  
+ATOM    711  CB  ILE A  93      30.587  19.036 -21.141  1.00 95.89           C  
+ATOM    712  O   ILE A  93      29.167  21.377 -22.509  1.00 95.89           O  
+ATOM    713  CG1 ILE A  93      31.182  18.332 -19.916  1.00 95.89           C  
+ATOM    714  CG2 ILE A  93      31.075  18.385 -22.438  1.00 95.89           C  
+ATOM    715  CD1 ILE A  93      30.767  16.874 -19.778  1.00 95.89           C  
+ATOM    716  N   ASP A  94      31.291  21.694 -23.205  1.00 96.25           N  
+ATOM    717  CA  ASP A  94      30.882  22.353 -24.441  1.00 96.25           C  
+ATOM    718  C   ASP A  94      30.562  21.331 -25.529  1.00 96.25           C  
+ATOM    719  CB  ASP A  94      31.973  23.312 -24.924  1.00 96.25           C  
+ATOM    720  O   ASP A  94      31.105  20.224 -25.527  1.00 96.25           O  
+ATOM    721  CG  ASP A  94      32.180  24.492 -23.992  1.00 96.25           C  
+ATOM    722  OD1 ASP A  94      31.193  24.992 -23.412  1.00 96.25           O  
+ATOM    723  OD2 ASP A  94      33.342  24.929 -23.838  1.00 96.25           O  
+ATOM    724  N   PHE A  95      29.688  21.804 -26.423  1.00 97.14           N  
+ATOM    725  CA  PHE A  95      29.425  20.953 -27.577  1.00 97.14           C  
+ATOM    726  C   PHE A  95      30.661  20.845 -28.463  1.00 97.14           C  
+ATOM    727  CB  PHE A  95      28.243  21.494 -28.388  1.00 97.14           C  
+ATOM    728  O   PHE A  95      31.443  21.793 -28.563  1.00 97.14           O  
+ATOM    729  CG  PHE A  95      26.920  21.384 -27.679  1.00 97.14           C  
+ATOM    730  CD1 PHE A  95      26.310  20.148 -27.504  1.00 97.14           C  
+ATOM    731  CD2 PHE A  95      26.286  22.518 -27.189  1.00 97.14           C  
+ATOM    732  CE1 PHE A  95      25.085  20.044 -26.848  1.00 97.14           C  
+ATOM    733  CE2 PHE A  95      25.062  22.422 -26.532  1.00 97.14           C  
+ATOM    734  CZ  PHE A  95      24.463  21.184 -26.364  1.00 97.14           C  
+ATOM    735  N   GLY A  96      30.901  19.629 -28.993  1.00 95.07           N  
+ATOM    736  CA  GLY A  96      31.970  19.480 -29.968  1.00 95.07           C  
+ATOM    737  C   GLY A  96      31.780  20.345 -31.199  1.00 95.07           C  
+ATOM    738  O   GLY A  96      32.742  20.913 -31.721  1.00 95.07           O  
+ATOM    739  N   ASP A  97      30.530  20.485 -31.639  1.00 95.05           N  
+ATOM    740  CA  ASP A  97      30.070  21.354 -32.718  1.00 95.05           C  
+ATOM    741  C   ASP A  97      29.135  22.439 -32.190  1.00 95.05           C  
+ATOM    742  CB  ASP A  97      29.366  20.536 -33.803  1.00 95.05           C  
+ATOM    743  O   ASP A  97      28.093  22.137 -31.605  1.00 95.05           O  
+ATOM    744  CG  ASP A  97      29.060  21.344 -35.051  1.00 95.05           C  
+ATOM    745  OD1 ASP A  97      29.064  22.592 -34.986  1.00 95.05           O  
+ATOM    746  OD2 ASP A  97      28.809  20.728 -36.109  1.00 95.05           O  
+ATOM    747  N   ALA A  98      29.458  23.712 -32.424  1.00 92.92           N  
+ATOM    748  CA  ALA A  98      28.708  24.852 -31.903  1.00 92.92           C  
+ATOM    749  C   ALA A  98      27.268  24.837 -32.406  1.00 92.92           C  
+ATOM    750  CB  ALA A  98      29.391  26.161 -32.291  1.00 92.92           C  
+ATOM    751  O   ALA A  98      26.370  25.374 -31.753  1.00 92.92           O  
+ATOM    752  N   ALA A  99      27.020  24.188 -33.621  1.00 92.18           N  
+ATOM    753  CA  ALA A  99      25.702  24.087 -34.244  1.00 92.18           C  
+ATOM    754  C   ALA A  99      24.767  23.217 -33.410  1.00 92.18           C  
+ATOM    755  CB  ALA A  99      25.824  23.528 -35.659  1.00 92.18           C  
+ATOM    756  O   ALA A  99      23.543  23.316 -33.531  1.00 92.18           O  
+ATOM    757  N   ARG A 100      25.377  22.385 -32.479  1.00 95.33           N  
+ATOM    758  CA  ARG A 100      24.584  21.457 -31.679  1.00 95.33           C  
+ATOM    759  C   ARG A 100      23.856  22.187 -30.555  1.00 95.33           C  
+ATOM    760  CB  ARG A 100      25.472  20.354 -31.098  1.00 95.33           C  
+ATOM    761  O   ARG A 100      22.865  21.684 -30.022  1.00 95.33           O  
+ATOM    762  CG  ARG A 100      26.043  19.409 -32.143  1.00 95.33           C  
+ATOM    763  CD  ARG A 100      24.946  18.683 -32.908  1.00 95.33           C  
+ATOM    764  NE  ARG A 100      24.563  19.405 -34.118  1.00 95.33           N  
+ATOM    765  NH1 ARG A 100      24.484  17.527 -35.462  1.00 95.33           N  
+ATOM    766  NH2 ARG A 100      24.008  19.591 -36.339  1.00 95.33           N  
+ATOM    767  CZ  ARG A 100      24.353  18.839 -35.303  1.00 95.33           C  
+ATOM    768  N   ALA A 101      24.277  23.369 -30.243  1.00 93.71           N  
+ATOM    769  CA  ALA A 101      23.570  24.210 -29.280  1.00 93.71           C  
+ATOM    770  C   ALA A 101      22.147  24.502 -29.748  1.00 93.71           C  
+ATOM    771  CB  ALA A 101      24.331  25.514 -29.053  1.00 93.71           C  
+ATOM    772  O   ALA A 101      21.207  24.474 -28.951  1.00 93.71           O  
+ATOM    773  N   ASP A 102      21.987  24.801 -31.041  1.00 94.09           N  
+ATOM    774  CA  ASP A 102      20.673  25.023 -31.636  1.00 94.09           C  
+ATOM    775  C   ASP A 102      19.841  23.743 -31.623  1.00 94.09           C  
+ATOM    776  CB  ASP A 102      20.813  25.545 -33.067  1.00 94.09           C  
+ATOM    777  O   ASP A 102      18.634  23.783 -31.375  1.00 94.09           O  
+ATOM    778  CG  ASP A 102      21.284  26.987 -33.129  1.00 94.09           C  
+ATOM    779  OD1 ASP A 102      21.050  27.747 -32.164  1.00 94.09           O  
+ATOM    780  OD2 ASP A 102      21.892  27.368 -34.153  1.00 94.09           O  
+ATOM    781  N   ASP A 103      20.462  22.569 -31.851  1.00 95.36           N  
+ATOM    782  CA  ASP A 103      19.801  21.269 -31.802  1.00 95.36           C  
+ATOM    783  C   ASP A 103      19.294  20.963 -30.394  1.00 95.36           C  
+ATOM    784  CB  ASP A 103      20.752  20.165 -32.269  1.00 95.36           C  
+ATOM    785  O   ASP A 103      18.199  20.423 -30.226  1.00 95.36           O  
+ATOM    786  CG  ASP A 103      21.020  20.206 -33.763  1.00 95.36           C  
+ATOM    787  OD1 ASP A 103      20.175  20.731 -34.520  1.00 95.36           O  
+ATOM    788  OD2 ASP A 103      22.084  19.706 -34.188  1.00 95.36           O  
+ATOM    789  N   ALA A 104      20.061  21.332 -29.362  1.00 94.45           N  
+ATOM    790  CA  ALA A 104      19.667  21.152 -27.967  1.00 94.45           C  
+ATOM    791  C   ALA A 104      18.425  21.974 -27.637  1.00 94.45           C  
+ATOM    792  CB  ALA A 104      20.816  21.532 -27.037  1.00 94.45           C  
+ATOM    793  O   ALA A 104      17.504  21.483 -26.980  1.00 94.45           O  
+ATOM    794  N   ARG A 105      18.359  23.219 -28.148  1.00 93.96           N  
+ATOM    795  CA  ARG A 105      17.188  24.068 -27.956  1.00 93.96           C  
+ATOM    796  C   ARG A 105      15.963  23.473 -28.642  1.00 93.96           C  
+ATOM    797  CB  ARG A 105      17.453  25.478 -28.488  1.00 93.96           C  
+ATOM    798  O   ARG A 105      14.873  23.451 -28.066  1.00 93.96           O  
+ATOM    799  CG  ARG A 105      18.361  26.312 -27.598  1.00 93.96           C  
+ATOM    800  CD  ARG A 105      18.399  27.769 -28.038  1.00 93.96           C  
+ATOM    801  NE  ARG A 105      19.056  27.925 -29.332  1.00 93.96           N  
+ATOM    802  NH1 ARG A 105      21.152  28.334 -28.451  1.00 93.96           N  
+ATOM    803  NH2 ARG A 105      20.843  28.310 -30.722  1.00 93.96           N  
+ATOM    804  CZ  ARG A 105      20.349  28.189 -29.499  1.00 93.96           C  
+ATOM    805  N   GLN A 106      16.195  23.011 -29.827  1.00 93.75           N  
+ATOM    806  CA  GLN A 106      15.126  22.391 -30.603  1.00 93.75           C  
+ATOM    807  C   GLN A 106      14.620  21.121 -29.925  1.00 93.75           C  
+ATOM    808  CB  GLN A 106      15.604  22.076 -32.021  1.00 93.75           C  
+ATOM    809  O   GLN A 106      13.425  20.822 -29.967  1.00 93.75           O  
+ATOM    810  CG  GLN A 106      15.721  23.301 -32.917  1.00 93.75           C  
+ATOM    811  CD  GLN A 106      16.180  22.958 -34.322  1.00 93.75           C  
+ATOM    812  NE2 GLN A 106      16.717  23.948 -35.028  1.00 93.75           N  
+ATOM    813  OE1 GLN A 106      16.054  21.814 -34.769  1.00 93.75           O  
+ATOM    814  N   LEU A 107      15.534  20.307 -29.348  1.00 94.34           N  
+ATOM    815  CA  LEU A 107      15.182  19.086 -28.633  1.00 94.34           C  
+ATOM    816  C   LEU A 107      14.158  19.372 -27.539  1.00 94.34           C  
+ATOM    817  CB  LEU A 107      16.430  18.442 -28.024  1.00 94.34           C  
+ATOM    818  O   LEU A 107      13.141  18.683 -27.439  1.00 94.34           O  
+ATOM    819  CG  LEU A 107      16.194  17.255 -27.088  1.00 94.34           C  
+ATOM    820  CD1 LEU A 107      15.653  16.063 -27.871  1.00 94.34           C  
+ATOM    821  CD2 LEU A 107      17.481  16.883 -26.360  1.00 94.34           C  
+ATOM    822  N   PHE A 108      14.360  20.445 -26.719  1.00 92.77           N  
+ATOM    823  CA  PHE A 108      13.494  20.778 -25.594  1.00 92.77           C  
+ATOM    824  C   PHE A 108      12.125  21.237 -26.082  1.00 92.77           C  
+ATOM    825  CB  PHE A 108      14.133  21.866 -24.726  1.00 92.77           C  
+ATOM    826  O   PHE A 108      11.102  20.900 -25.483  1.00 92.77           O  
+ATOM    827  CG  PHE A 108      15.222  21.357 -23.820  1.00 92.77           C  
+ATOM    828  CD1 PHE A 108      14.912  20.623 -22.681  1.00 92.77           C  
+ATOM    829  CD2 PHE A 108      16.556  21.614 -24.107  1.00 92.77           C  
+ATOM    830  CE1 PHE A 108      15.918  20.151 -21.841  1.00 92.77           C  
+ATOM    831  CE2 PHE A 108      17.567  21.145 -23.272  1.00 92.77           C  
+ATOM    832  CZ  PHE A 108      17.245  20.415 -22.139  1.00 92.77           C  
+ATOM    833  N   VAL A 109      12.083  21.912 -27.193  1.00 91.79           N  
+ATOM    834  CA  VAL A 109      10.833  22.393 -27.774  1.00 91.79           C  
+ATOM    835  C   VAL A 109      10.035  21.216 -28.329  1.00 91.79           C  
+ATOM    836  CB  VAL A 109      11.088  23.436 -28.885  1.00 91.79           C  
+ATOM    837  O   VAL A 109       8.854  21.053 -28.011  1.00 91.79           O  
+ATOM    838  CG1 VAL A 109       9.790  23.777 -29.613  1.00 91.79           C  
+ATOM    839  CG2 VAL A 109      11.723  24.695 -28.298  1.00 91.79           C  
+ATOM    840  N   LEU A 110      10.718  20.384 -29.082  1.00 90.65           N  
+ATOM    841  CA  LEU A 110      10.072  19.253 -29.740  1.00 90.65           C  
+ATOM    842  C   LEU A 110       9.629  18.211 -28.719  1.00 90.65           C  
+ATOM    843  CB  LEU A 110      11.018  18.615 -30.760  1.00 90.65           C  
+ATOM    844  O   LEU A 110       8.553  17.623 -28.853  1.00 90.65           O  
+ATOM    845  CG  LEU A 110      11.319  19.437 -32.014  1.00 90.65           C  
+ATOM    846  CD1 LEU A 110      12.399  18.756 -32.848  1.00 90.65           C  
+ATOM    847  CD2 LEU A 110      10.050  19.642 -32.836  1.00 90.65           C  
+ATOM    848  N   ALA A 111      10.459  17.985 -27.739  1.00 87.92           N  
+ATOM    849  CA  ALA A 111      10.136  17.025 -26.686  1.00 87.92           C  
+ATOM    850  C   ALA A 111       8.921  17.480 -25.883  1.00 87.92           C  
+ATOM    851  CB  ALA A 111      11.335  16.824 -25.763  1.00 87.92           C  
+ATOM    852  O   ALA A 111       8.085  16.662 -25.493  1.00 87.92           O  
+ATOM    853  N   GLY A 112       8.748  18.803 -25.644  1.00 83.83           N  
+ATOM    854  CA  GLY A 112       7.619  19.388 -24.938  1.00 83.83           C  
+ATOM    855  C   GLY A 112       6.319  19.302 -25.716  1.00 83.83           C  
+ATOM    856  O   GLY A 112       5.243  19.189 -25.125  1.00 83.83           O  
+ATOM    857  N   ALA A 113       6.459  19.247 -27.028  1.00 83.46           N  
+ATOM    858  CA  ALA A 113       5.316  19.240 -27.936  1.00 83.46           C  
+ATOM    859  C   ALA A 113       4.995  17.824 -28.405  1.00 83.46           C  
+ATOM    860  CB  ALA A 113       5.583  20.147 -29.135  1.00 83.46           C  
+ATOM    861  O   ALA A 113       3.980  17.597 -29.067  1.00 83.46           O  
+ATOM    862  N   ALA A 114       5.888  16.879 -28.048  1.00 80.58           N  
+ATOM    863  CA  ALA A 114       5.767  15.509 -28.539  1.00 80.58           C  
+ATOM    864  C   ALA A 114       4.594  14.791 -27.878  1.00 80.58           C  
+ATOM    865  CB  ALA A 114       7.063  14.740 -28.294  1.00 80.58           C  
+ATOM    866  O   ALA A 114       4.359  14.947 -26.678  1.00 80.58           O  
+ATOM    867  N   GLU A 115       3.685  14.232 -28.741  1.00 77.03           N  
+ATOM    868  CA  GLU A 115       2.603  13.372 -28.270  1.00 77.03           C  
+ATOM    869  C   GLU A 115       3.140  12.034 -27.769  1.00 77.03           C  
+ATOM    870  CB  GLU A 115       1.574  13.144 -29.380  1.00 77.03           C  
+ATOM    871  O   GLU A 115       4.119  11.512 -28.306  1.00 77.03           O  
+ATOM    872  CG  GLU A 115       0.738  14.373 -29.705  1.00 77.03           C  
+ATOM    873  CD  GLU A 115      -0.309  14.119 -30.778  1.00 77.03           C  
+ATOM    874  OE1 GLU A 115      -0.999  15.078 -31.192  1.00 77.03           O  
+ATOM    875  OE2 GLU A 115      -0.441  12.951 -31.208  1.00 77.03           O  
+ATOM    876  N   GLU A 116       2.591  11.546 -26.631  1.00 71.35           N  
+ATOM    877  CA  GLU A 116       2.982  10.271 -26.037  1.00 71.35           C  
+ATOM    878  C   GLU A 116       2.869   9.133 -27.047  1.00 71.35           C  
+ATOM    879  CB  GLU A 116       2.126   9.967 -24.804  1.00 71.35           C  
+ATOM    880  O   GLU A 116       1.856   9.009 -27.739  1.00 71.35           O  
+ATOM    881  CG  GLU A 116       2.547  10.733 -23.559  1.00 71.35           C  
+ATOM    882  CD  GLU A 116       1.724  10.380 -22.330  1.00 71.35           C  
+ATOM    883  OE1 GLU A 116       1.943  10.988 -21.258  1.00 71.35           O  
+ATOM    884  OE2 GLU A 116       0.853   9.488 -22.441  1.00 71.35           O  
+ATOM    885  N   GLY A 117       4.013   8.450 -27.381  1.00 70.79           N  
+ATOM    886  CA  GLY A 117       3.944   7.254 -28.205  1.00 70.79           C  
+ATOM    887  C   GLY A 117       4.339   7.500 -29.649  1.00 70.79           C  
+ATOM    888  O   GLY A 117       4.253   6.598 -30.485  1.00 70.79           O  
+ATOM    889  N   PHE A 118       4.822   8.771 -29.998  1.00 81.32           N  
+ATOM    890  CA  PHE A 118       5.245   9.106 -31.352  1.00 81.32           C  
+ATOM    891  C   PHE A 118       6.623   9.755 -31.344  1.00 81.32           C  
+ATOM    892  CB  PHE A 118       4.229  10.038 -32.019  1.00 81.32           C  
+ATOM    893  O   PHE A 118       6.873  10.683 -30.572  1.00 81.32           O  
+ATOM    894  CG  PHE A 118       2.903   9.386 -32.305  1.00 81.32           C  
+ATOM    895  CD1 PHE A 118       2.691   8.702 -33.496  1.00 81.32           C  
+ATOM    896  CD2 PHE A 118       1.867   9.458 -31.382  1.00 81.32           C  
+ATOM    897  CE1 PHE A 118       1.465   8.098 -33.763  1.00 81.32           C  
+ATOM    898  CE2 PHE A 118       0.639   8.856 -31.643  1.00 81.32           C  
+ATOM    899  CZ  PHE A 118       0.440   8.178 -32.834  1.00 81.32           C  
+ATOM    900  N   MET A 119       7.565   9.207 -32.190  1.00 86.42           N  
+ATOM    901  CA  MET A 119       8.868   9.817 -32.445  1.00 86.42           C  
+ATOM    902  C   MET A 119       8.932  10.393 -33.855  1.00 86.42           C  
+ATOM    903  CB  MET A 119       9.988   8.795 -32.246  1.00 86.42           C  
+ATOM    904  O   MET A 119       8.996   9.647 -34.833  1.00 86.42           O  
+ATOM    905  CG  MET A 119      11.384   9.381 -32.387  1.00 86.42           C  
+ATOM    906  SD  MET A 119      11.918  10.293 -30.888  1.00 86.42           S  
+ATOM    907  CE  MET A 119      11.975   8.933 -29.688  1.00 86.42           C  
+ATOM    908  N   THR A 120       8.830  11.790 -33.954  1.00 89.43           N  
+ATOM    909  CA  THR A 120       8.847  12.412 -35.273  1.00 89.43           C  
+ATOM    910  C   THR A 120      10.234  12.308 -35.901  1.00 89.43           C  
+ATOM    911  CB  THR A 120       8.423  13.891 -35.199  1.00 89.43           C  
+ATOM    912  O   THR A 120      11.236  12.195 -35.192  1.00 89.43           O  
+ATOM    913  CG2 THR A 120       7.035  14.035 -34.586  1.00 89.43           C  
+ATOM    914  OG1 THR A 120       9.366  14.612 -34.396  1.00 89.43           O  
+ATOM    915  N   ALA A 121      10.319  12.239 -37.233  1.00 90.56           N  
+ATOM    916  CA  ALA A 121      11.580  12.162 -37.965  1.00 90.56           C  
+ATOM    917  C   ALA A 121      12.496  13.328 -37.606  1.00 90.56           C  
+ATOM    918  CB  ALA A 121      11.321  12.136 -39.470  1.00 90.56           C  
+ATOM    919  O   ALA A 121      13.715  13.165 -37.517  1.00 90.56           O  
+ATOM    920  N   GLU A 122      11.834  14.433 -37.395  1.00 92.17           N  
+ATOM    921  CA  GLU A 122      12.546  15.652 -37.025  1.00 92.17           C  
+ATOM    922  C   GLU A 122      13.185  15.522 -35.645  1.00 92.17           C  
+ATOM    923  CB  GLU A 122      11.602  16.857 -37.055  1.00 92.17           C  
+ATOM    924  O   GLU A 122      14.353  15.871 -35.461  1.00 92.17           O  
+ATOM    925  CG  GLU A 122      12.301  18.192 -36.843  1.00 92.17           C  
+ATOM    926  CD  GLU A 122      11.355  19.380 -36.900  1.00 92.17           C  
+ATOM    927  OE1 GLU A 122      11.831  20.538 -36.857  1.00 92.17           O  
+ATOM    928  OE2 GLU A 122      10.128  19.153 -36.988  1.00 92.17           O  
+ATOM    929  N   LEU A 123      12.453  15.077 -34.663  1.00 93.50           N  
+ATOM    930  CA  LEU A 123      12.960  14.855 -33.313  1.00 93.50           C  
+ATOM    931  C   LEU A 123      14.063  13.803 -33.313  1.00 93.50           C  
+ATOM    932  CB  LEU A 123      11.826  14.423 -32.380  1.00 93.50           C  
+ATOM    933  O   LEU A 123      15.112  13.997 -32.694  1.00 93.50           O  
+ATOM    934  CG  LEU A 123      12.211  14.155 -30.924  1.00 93.50           C  
+ATOM    935  CD1 LEU A 123      12.864  15.391 -30.313  1.00 93.50           C  
+ATOM    936  CD2 LEU A 123      10.988  13.736 -30.115  1.00 93.50           C  
+ATOM    937  N   ALA A 124      13.864  12.710 -33.996  1.00 94.66           N  
+ATOM    938  CA  ALA A 124      14.859  11.647 -34.103  1.00 94.66           C  
+ATOM    939  C   ALA A 124      16.152  12.166 -34.724  1.00 94.66           C  
+ATOM    940  CB  ALA A 124      14.308  10.483 -34.923  1.00 94.66           C  
+ATOM    941  O   ALA A 124      17.247  11.798 -34.291  1.00 94.66           O  
+ATOM    942  N   GLY A 125      15.990  13.034 -35.786  1.00 95.45           N  
+ATOM    943  CA  GLY A 125      17.140  13.643 -36.435  1.00 95.45           C  
+ATOM    944  C   GLY A 125      17.973  14.495 -35.497  1.00 95.45           C  
+ATOM    945  O   GLY A 125      19.203  14.421 -35.510  1.00 95.45           O  
+ATOM    946  N   VAL A 126      17.306  15.261 -34.664  1.00 96.19           N  
+ATOM    947  CA  VAL A 126      17.968  16.126 -33.694  1.00 96.19           C  
+ATOM    948  C   VAL A 126      18.699  15.276 -32.657  1.00 96.19           C  
+ATOM    949  CB  VAL A 126      16.964  17.071 -32.997  1.00 96.19           C  
+ATOM    950  O   VAL A 126      19.854  15.549 -32.323  1.00 96.19           O  
+ATOM    951  CG1 VAL A 126      17.620  17.777 -31.812  1.00 96.19           C  
+ATOM    952  CG2 VAL A 126      16.413  18.091 -33.992  1.00 96.19           C  
+ATOM    953  N   ILE A 127      18.063  14.258 -32.165  1.00 96.78           N  
+ATOM    954  CA  ILE A 127      18.640  13.377 -31.156  1.00 96.78           C  
+ATOM    955  C   ILE A 127      19.879  12.686 -31.721  1.00 96.78           C  
+ATOM    956  CB  ILE A 127      17.616  12.328 -30.669  1.00 96.78           C  
+ATOM    957  O   ILE A 127      20.905  12.587 -31.045  1.00 96.78           O  
+ATOM    958  CG1 ILE A 127      16.466  13.011 -29.919  1.00 96.78           C  
+ATOM    959  CG2 ILE A 127      18.297  11.276 -29.788  1.00 96.78           C  
+ATOM    960  CD1 ILE A 127      15.343  12.066 -29.514  1.00 96.78           C  
+ATOM    961  N   LYS A 128      19.771  12.283 -32.951  1.00 96.86           N  
+ATOM    962  CA  LYS A 128      20.869  11.599 -33.627  1.00 96.86           C  
+ATOM    963  C   LYS A 128      22.089  12.507 -33.751  1.00 96.86           C  
+ATOM    964  CB  LYS A 128      20.431  11.118 -35.011  1.00 96.86           C  
+ATOM    965  O   LYS A 128      23.216  12.082 -33.486  1.00 96.86           O  
+ATOM    966  CG  LYS A 128      21.440  10.209 -35.698  1.00 96.86           C  
+ATOM    967  CD  LYS A 128      20.904   9.679 -37.022  1.00 96.86           C  
+ATOM    968  CE  LYS A 128      21.900   8.744 -37.695  1.00 96.86           C  
+ATOM    969  NZ  LYS A 128      21.361   8.187 -38.972  1.00 96.86           N  
+ATOM    970  N   ARG A 129      21.937  13.733 -34.175  1.00 96.98           N  
+ATOM    971  CA  ARG A 129      23.023  14.697 -34.318  1.00 96.98           C  
+ATOM    972  C   ARG A 129      23.658  15.011 -32.967  1.00 96.98           C  
+ATOM    973  CB  ARG A 129      22.517  15.985 -34.971  1.00 96.98           C  
+ATOM    974  O   ARG A 129      24.882  15.107 -32.858  1.00 96.98           O  
+ATOM    975  CG  ARG A 129      22.199  15.842 -36.451  1.00 96.98           C  
+ATOM    976  CD  ARG A 129      21.997  17.195 -37.118  1.00 96.98           C  
+ATOM    977  NE  ARG A 129      20.813  17.878 -36.604  1.00 96.98           N  
+ATOM    978  NH1 ARG A 129      19.339  16.863 -38.066  1.00 96.98           N  
+ATOM    979  NH2 ARG A 129      18.572  18.376 -36.525  1.00 96.98           N  
+ATOM    980  CZ  ARG A 129      19.577  17.704 -37.066  1.00 96.98           C  
+ATOM    981  N   LEU A 130      22.823  15.132 -31.981  1.00 97.44           N  
+ATOM    982  CA  LEU A 130      23.308  15.420 -30.635  1.00 97.44           C  
+ATOM    983  C   LEU A 130      24.106  14.244 -30.082  1.00 97.44           C  
+ATOM    984  CB  LEU A 130      22.139  15.744 -29.701  1.00 97.44           C  
+ATOM    985  O   LEU A 130      25.159  14.436 -29.470  1.00 97.44           O  
+ATOM    986  CG  LEU A 130      21.491  17.118 -29.878  1.00 97.44           C  
+ATOM    987  CD1 LEU A 130      20.181  17.190 -29.101  1.00 97.44           C  
+ATOM    988  CD2 LEU A 130      22.445  18.221 -29.430  1.00 97.44           C  
+ATOM    989  N   TRP A 131      23.609  13.040 -30.269  1.00 97.47           N  
+ATOM    990  CA  TRP A 131      24.251  11.845 -29.732  1.00 97.47           C  
+ATOM    991  C   TRP A 131      25.616  11.624 -30.376  1.00 97.47           C  
+ATOM    992  CB  TRP A 131      23.366  10.615 -29.948  1.00 97.47           C  
+ATOM    993  O   TRP A 131      26.545  11.140 -29.725  1.00 97.47           O  
+ATOM    994  CG  TRP A 131      23.951   9.342 -29.413  1.00 97.47           C  
+ATOM    995  CD1 TRP A 131      24.184   8.187 -30.107  1.00 97.47           C  
+ATOM    996  CD2 TRP A 131      24.373   9.095 -28.068  1.00 97.47           C  
+ATOM    997  CE2 TRP A 131      24.853   7.767 -28.018  1.00 97.47           C  
+ATOM    998  CE3 TRP A 131      24.393   9.868 -26.900  1.00 97.47           C  
+ATOM    999  NE1 TRP A 131      24.727   7.236 -29.273  1.00 97.47           N  
+ATOM   1000  CH2 TRP A 131      25.356   7.974 -25.715  1.00 97.47           C  
+ATOM   1001  CZ2 TRP A 131      25.348   7.196 -26.843  1.00 97.47           C  
+ATOM   1002  CZ3 TRP A 131      24.886   9.298 -25.732  1.00 97.47           C  
+ATOM   1003  N   LYS A 132      25.849  12.062 -31.627  1.00 96.99           N  
+ATOM   1004  CA  LYS A 132      27.107  11.914 -32.353  1.00 96.99           C  
+ATOM   1005  C   LYS A 132      28.115  12.978 -31.928  1.00 96.99           C  
+ATOM   1006  CB  LYS A 132      26.869  11.990 -33.862  1.00 96.99           C  
+ATOM   1007  O   LYS A 132      29.310  12.855 -32.206  1.00 96.99           O  
+ATOM   1008  CG  LYS A 132      26.234  10.740 -34.452  1.00 96.99           C  
+ATOM   1009  CD  LYS A 132      26.120  10.833 -35.968  1.00 96.99           C  
+ATOM   1010  CE  LYS A 132      25.504   9.574 -36.562  1.00 96.99           C  
+ATOM   1011  NZ  LYS A 132      25.359   9.674 -38.045  1.00 96.99           N  
+ATOM   1012  N   ASP A 133      27.653  13.987 -31.278  1.00 97.82           N  
+ATOM   1013  CA  ASP A 133      28.506  15.091 -30.848  1.00 97.82           C  
+ATOM   1014  C   ASP A 133      29.523  14.626 -29.809  1.00 97.82           C  
+ATOM   1015  CB  ASP A 133      27.661  16.234 -30.283  1.00 97.82           C  
+ATOM   1016  O   ASP A 133      29.180  13.888 -28.883  1.00 97.82           O  
+ATOM   1017  CG  ASP A 133      28.494  17.420 -29.830  1.00 97.82           C  
+ATOM   1018  OD1 ASP A 133      28.988  18.182 -30.688  1.00 97.82           O  
+ATOM   1019  OD2 ASP A 133      28.661  17.591 -28.603  1.00 97.82           O  
+ATOM   1020  N   SER A 134      30.792  15.076 -29.951  1.00 97.44           N  
+ATOM   1021  CA  SER A 134      31.895  14.676 -29.084  1.00 97.44           C  
+ATOM   1022  C   SER A 134      31.680  15.163 -27.655  1.00 97.44           C  
+ATOM   1023  CB  SER A 134      33.222  15.215 -29.620  1.00 97.44           C  
+ATOM   1024  O   SER A 134      32.034  14.472 -26.698  1.00 97.44           O  
+ATOM   1025  OG  SER A 134      33.189  16.629 -29.713  1.00 97.44           O  
+ATOM   1026  N   GLY A 135      31.085  16.422 -27.492  1.00 97.04           N  
+ATOM   1027  CA  GLY A 135      30.749  16.942 -26.176  1.00 97.04           C  
+ATOM   1028  C   GLY A 135      29.699  16.116 -25.458  1.00 97.04           C  
+ATOM   1029  O   GLY A 135      29.833  15.833 -24.265  1.00 97.04           O  
+ATOM   1030  N   VAL A 136      28.681  15.721 -26.225  1.00 97.39           N  
+ATOM   1031  CA  VAL A 136      27.613  14.889 -25.682  1.00 97.39           C  
+ATOM   1032  C   VAL A 136      28.171  13.523 -25.289  1.00 97.39           C  
+ATOM   1033  CB  VAL A 136      26.455  14.721 -26.692  1.00 97.39           C  
+ATOM   1034  O   VAL A 136      27.865  13.007 -24.211  1.00 97.39           O  
+ATOM   1035  CG1 VAL A 136      25.444  13.693 -26.188  1.00 97.39           C  
+ATOM   1036  CG2 VAL A 136      25.773  16.064 -26.949  1.00 97.39           C  
+ATOM   1037  N   GLN A 137      29.032  12.890 -26.070  1.00 97.59           N  
+ATOM   1038  CA  GLN A 137      29.661  11.607 -25.776  1.00 97.59           C  
+ATOM   1039  C   GLN A 137      30.562  11.704 -24.548  1.00 97.59           C  
+ATOM   1040  CB  GLN A 137      30.465  11.114 -26.980  1.00 97.59           C  
+ATOM   1041  O   GLN A 137      30.612  10.780 -23.733  1.00 97.59           O  
+ATOM   1042  CG  GLN A 137      29.605  10.684 -28.160  1.00 97.59           C  
+ATOM   1043  CD  GLN A 137      28.738   9.479 -27.847  1.00 97.59           C  
+ATOM   1044  NE2 GLN A 137      27.486   9.517 -28.292  1.00 97.59           N  
+ATOM   1045  OE1 GLN A 137      29.189   8.522 -27.210  1.00 97.59           O  
+ATOM   1046  N   ALA A 138      31.257  12.864 -24.466  1.00 96.32           N  
+ATOM   1047  CA  ALA A 138      32.108  13.107 -23.304  1.00 96.32           C  
+ATOM   1048  C   ALA A 138      31.283  13.162 -22.021  1.00 96.32           C  
+ATOM   1049  CB  ALA A 138      32.895  14.403 -23.483  1.00 96.32           C  
+ATOM   1050  O   ALA A 138      31.685  12.613 -20.993  1.00 96.32           O  
+ATOM   1051  N   CYS A 139      30.149  13.832 -22.117  1.00 96.92           N  
+ATOM   1052  CA  CYS A 139      29.255  13.929 -20.968  1.00 96.92           C  
+ATOM   1053  C   CYS A 139      28.704  12.559 -20.590  1.00 96.92           C  
+ATOM   1054  CB  CYS A 139      28.103  14.888 -21.265  1.00 96.92           C  
+ATOM   1055  O   CYS A 139      28.619  12.225 -19.407  1.00 96.92           O  
+ATOM   1056  SG  CYS A 139      27.014  15.176 -19.854  1.00 96.92           S  
+ATOM   1057  N   PHE A 140      28.321  11.791 -21.551  1.00 95.75           N  
+ATOM   1058  CA  PHE A 140      27.825  10.436 -21.337  1.00 95.75           C  
+ATOM   1059  C   PHE A 140      28.866   9.586 -20.618  1.00 95.75           C  
+ATOM   1060  CB  PHE A 140      27.444   9.785 -22.670  1.00 95.75           C  
+ATOM   1061  O   PHE A 140      28.527   8.794 -19.736  1.00 95.75           O  
+ATOM   1062  CG  PHE A 140      27.029   8.344 -22.544  1.00 95.75           C  
+ATOM   1063  CD1 PHE A 140      27.871   7.324 -22.970  1.00 95.75           C  
+ATOM   1064  CD2 PHE A 140      25.796   8.009 -22.001  1.00 95.75           C  
+ATOM   1065  CE1 PHE A 140      27.490   5.989 -22.855  1.00 95.75           C  
+ATOM   1066  CE2 PHE A 140      25.407   6.678 -21.883  1.00 95.75           C  
+ATOM   1067  CZ  PHE A 140      26.255   5.669 -22.311  1.00 95.75           C  
+ATOM   1068  N   ASN A 141      30.150   9.727 -20.916  1.00 93.40           N  
+ATOM   1069  CA  ASN A 141      31.244   8.975 -20.308  1.00 93.40           C  
+ATOM   1070  C   ASN A 141      31.422   9.336 -18.836  1.00 93.40           C  
+ATOM   1071  CB  ASN A 141      32.547   9.211 -21.074  1.00 93.40           C  
+ATOM   1072  O   ASN A 141      32.058   8.596 -18.084  1.00 93.40           O  
+ATOM   1073  CG  ASN A 141      32.582   8.486 -22.405  1.00 93.40           C  
+ATOM   1074  ND2 ASN A 141      33.344   9.020 -23.352  1.00 93.40           N  
+ATOM   1075  OD1 ASN A 141      31.928   7.455 -22.582  1.00 93.40           O  
+ATOM   1076  N   ARG A 142      30.759  10.452 -18.394  1.00 93.43           N  
+ATOM   1077  CA  ARG A 142      30.783  10.892 -17.002  1.00 93.43           C  
+ATOM   1078  C   ARG A 142      29.432  10.667 -16.333  1.00 93.43           C  
+ATOM   1079  CB  ARG A 142      31.173  12.369 -16.912  1.00 93.43           C  
+ATOM   1080  O   ARG A 142      29.009  11.463 -15.492  1.00 93.43           O  
+ATOM   1081  CG  ARG A 142      32.592  12.661 -17.373  1.00 93.43           C  
+ATOM   1082  CD  ARG A 142      32.892  14.153 -17.365  1.00 93.43           C  
+ATOM   1083  NE  ARG A 142      32.907  14.693 -16.009  1.00 93.43           N  
+ATOM   1084  NH1 ARG A 142      33.242  16.883 -16.662  1.00 93.43           N  
+ATOM   1085  NH2 ARG A 142      33.069  16.360 -14.437  1.00 93.43           N  
+ATOM   1086  CZ  ARG A 142      33.073  15.977 -15.706  1.00 93.43           C  
+ATOM   1087  N   SER A 143      28.707   9.684 -16.839  1.00 92.59           N  
+ATOM   1088  CA  SER A 143      27.326   9.440 -16.438  1.00 92.59           C  
+ATOM   1089  C   SER A 143      27.238   9.052 -14.965  1.00 92.59           C  
+ATOM   1090  CB  SER A 143      26.703   8.341 -17.300  1.00 92.59           C  
+ATOM   1091  O   SER A 143      26.159   9.094 -14.370  1.00 92.59           O  
+ATOM   1092  OG  SER A 143      27.438   7.135 -17.186  1.00 92.59           O  
+ATOM   1093  N   ARG A 144      28.385   8.848 -14.294  1.00 90.15           N  
+ATOM   1094  CA  ARG A 144      28.387   8.554 -12.864  1.00 90.15           C  
+ATOM   1095  C   ARG A 144      28.104   9.810 -12.047  1.00 90.15           C  
+ATOM   1096  CB  ARG A 144      29.725   7.943 -12.442  1.00 90.15           C  
+ATOM   1097  O   ARG A 144      27.777   9.725 -10.861  1.00 90.15           O  
+ATOM   1098  CG  ARG A 144      30.897   8.908 -12.529  1.00 90.15           C  
+ATOM   1099  CD  ARG A 144      32.187   8.274 -12.029  1.00 90.15           C  
+ATOM   1100  NE  ARG A 144      33.307   9.209 -12.093  1.00 90.15           N  
+ATOM   1101  NH1 ARG A 144      34.871   7.712 -11.286  1.00 90.15           N  
+ATOM   1102  NH2 ARG A 144      35.498   9.847 -11.837  1.00 90.15           N  
+ATOM   1103  CZ  ARG A 144      34.556   8.920 -11.738  1.00 90.15           C  
+ATOM   1104  N   GLU A 145      28.218  11.049 -12.615  1.00 90.91           N  
+ATOM   1105  CA  GLU A 145      28.101  12.336 -11.937  1.00 90.91           C  
+ATOM   1106  C   GLU A 145      26.664  12.847 -11.968  1.00 90.91           C  
+ATOM   1107  CB  GLU A 145      29.039  13.366 -12.572  1.00 90.91           C  
+ATOM   1108  O   GLU A 145      26.345  13.857 -11.337  1.00 90.91           O  
+ATOM   1109  CG  GLU A 145      30.516  13.045 -12.393  1.00 90.91           C  
+ATOM   1110  CD  GLU A 145      31.435  14.072 -13.034  1.00 90.91           C  
+ATOM   1111  OE1 GLU A 145      32.336  13.681 -13.810  1.00 90.91           O  
+ATOM   1112  OE2 GLU A 145      31.253  15.279 -12.757  1.00 90.91           O  
+ATOM   1113  N   TYR A 146      25.813  12.164 -12.678  1.00 92.61           N  
+ATOM   1114  CA  TYR A 146      24.404  12.541 -12.728  1.00 92.61           C  
+ATOM   1115  C   TYR A 146      23.519  11.317 -12.929  1.00 92.61           C  
+ATOM   1116  CB  TYR A 146      24.158  13.554 -13.850  1.00 92.61           C  
+ATOM   1117  O   TYR A 146      24.017  10.219 -13.188  1.00 92.61           O  
+ATOM   1118  CG  TYR A 146      24.530  13.043 -15.221  1.00 92.61           C  
+ATOM   1119  CD1 TYR A 146      25.852  13.067 -15.660  1.00 92.61           C  
+ATOM   1120  CD2 TYR A 146      23.561  12.536 -16.080  1.00 92.61           C  
+ATOM   1121  CE1 TYR A 146      26.199  12.599 -16.923  1.00 92.61           C  
+ATOM   1122  CE2 TYR A 146      23.897  12.066 -17.345  1.00 92.61           C  
+ATOM   1123  OH  TYR A 146      25.555  11.637 -19.008  1.00 92.61           O  
+ATOM   1124  CZ  TYR A 146      25.217  12.101 -17.757  1.00 92.61           C  
+ATOM   1125  N   GLN A 147      22.173  11.425 -12.850  1.00 90.89           N  
+ATOM   1126  CA  GLN A 147      21.234  10.312 -12.933  1.00 90.89           C  
+ATOM   1127  C   GLN A 147      20.851  10.022 -14.381  1.00 90.89           C  
+ATOM   1128  CB  GLN A 147      19.981  10.603 -12.106  1.00 90.89           C  
+ATOM   1129  O   GLN A 147      20.192  10.838 -15.029  1.00 90.89           O  
+ATOM   1130  CG  GLN A 147      20.267  10.900 -10.640  1.00 90.89           C  
+ATOM   1131  CD  GLN A 147      20.906   9.729  -9.917  1.00 90.89           C  
+ATOM   1132  NE2 GLN A 147      21.824  10.026  -9.003  1.00 90.89           N  
+ATOM   1133  OE1 GLN A 147      20.576   8.568 -10.177  1.00 90.89           O  
+ATOM   1134  N   LEU A 148      21.257   8.853 -14.865  1.00 93.39           N  
+ATOM   1135  CA  LEU A 148      20.984   8.460 -16.243  1.00 93.39           C  
+ATOM   1136  C   LEU A 148      20.481   7.022 -16.309  1.00 93.39           C  
+ATOM   1137  CB  LEU A 148      22.242   8.613 -17.103  1.00 93.39           C  
+ATOM   1138  O   LEU A 148      20.994   6.148 -15.608  1.00 93.39           O  
+ATOM   1139  CG  LEU A 148      22.082   8.321 -18.596  1.00 93.39           C  
+ATOM   1140  CD1 LEU A 148      21.182   9.366 -19.247  1.00 93.39           C  
+ATOM   1141  CD2 LEU A 148      23.444   8.279 -19.281  1.00 93.39           C  
+ATOM   1142  N   ASN A 149      19.490   6.801 -17.166  1.00 91.69           N  
+ATOM   1143  CA  ASN A 149      18.958   5.460 -17.385  1.00 91.69           C  
+ATOM   1144  C   ASN A 149      20.029   4.510 -17.911  1.00 91.69           C  
+ATOM   1145  CB  ASN A 149      17.769   5.505 -18.348  1.00 91.69           C  
+ATOM   1146  O   ASN A 149      20.765   4.849 -18.840  1.00 91.69           O  
+ATOM   1147  CG  ASN A 149      17.036   4.181 -18.434  1.00 91.69           C  
+ATOM   1148  ND2 ASN A 149      15.754   4.234 -18.773  1.00 91.69           N  
+ATOM   1149  OD1 ASN A 149      17.618   3.119 -18.197  1.00 91.69           O  
+ATOM   1150  N   ASP A 150      20.114   3.256 -17.399  1.00 91.43           N  
+ATOM   1151  CA  ASP A 150      21.143   2.287 -17.762  1.00 91.43           C  
+ATOM   1152  C   ASP A 150      21.039   1.903 -19.237  1.00 91.43           C  
+ATOM   1153  CB  ASP A 150      21.037   1.037 -16.885  1.00 91.43           C  
+ATOM   1154  O   ASP A 150      22.030   1.498 -19.849  1.00 91.43           O  
+ATOM   1155  CG  ASP A 150      21.463   1.283 -15.449  1.00 91.43           C  
+ATOM   1156  OD1 ASP A 150      22.165   2.283 -15.183  1.00 91.43           O  
+ATOM   1157  OD2 ASP A 150      21.096   0.468 -14.575  1.00 91.43           O  
+ATOM   1158  N   SER A 151      19.813   2.067 -19.830  1.00 94.08           N  
+ATOM   1159  CA  SER A 151      19.545   1.614 -21.191  1.00 94.08           C  
+ATOM   1160  C   SER A 151      19.756   2.737 -22.200  1.00 94.08           C  
+ATOM   1161  CB  SER A 151      18.117   1.077 -21.306  1.00 94.08           C  
+ATOM   1162  O   SER A 151      19.451   2.581 -23.384  1.00 94.08           O  
+ATOM   1163  OG  SER A 151      17.945  -0.071 -20.491  1.00 94.08           O  
+ATOM   1164  N   ALA A 152      20.281   3.920 -21.697  1.00 95.00           N  
+ATOM   1165  CA  ALA A 152      20.440   5.104 -22.539  1.00 95.00           C  
+ATOM   1166  C   ALA A 152      21.260   4.784 -23.785  1.00 95.00           C  
+ATOM   1167  CB  ALA A 152      21.097   6.233 -21.749  1.00 95.00           C  
+ATOM   1168  O   ALA A 152      20.844   5.089 -24.905  1.00 95.00           O  
+ATOM   1169  N   ALA A 153      22.383   4.104 -23.598  1.00 94.77           N  
+ATOM   1170  CA  ALA A 153      23.270   3.783 -24.713  1.00 94.77           C  
+ATOM   1171  C   ALA A 153      22.600   2.817 -25.686  1.00 94.77           C  
+ATOM   1172  CB  ALA A 153      24.579   3.191 -24.198  1.00 94.77           C  
+ATOM   1173  O   ALA A 153      22.710   2.976 -26.904  1.00 94.77           O  
+ATOM   1174  N   TYR A 154      21.868   1.879 -25.236  1.00 95.37           N  
+ATOM   1175  CA  TYR A 154      21.162   0.888 -26.041  1.00 95.37           C  
+ATOM   1176  C   TYR A 154      20.174   1.558 -26.989  1.00 95.37           C  
+ATOM   1177  CB  TYR A 154      20.427  -0.111 -25.141  1.00 95.37           C  
+ATOM   1178  O   TYR A 154      20.187   1.298 -28.194  1.00 95.37           O  
+ATOM   1179  CG  TYR A 154      19.566  -1.092 -25.899  1.00 95.37           C  
+ATOM   1180  CD1 TYR A 154      18.208  -0.850 -26.096  1.00 95.37           C  
+ATOM   1181  CD2 TYR A 154      20.108  -2.262 -26.419  1.00 95.37           C  
+ATOM   1182  CE1 TYR A 154      17.411  -1.752 -26.793  1.00 95.37           C  
+ATOM   1183  CE2 TYR A 154      19.320  -3.171 -27.117  1.00 95.37           C  
+ATOM   1184  OH  TYR A 154      17.190  -3.804 -27.989  1.00 95.37           O  
+ATOM   1185  CZ  TYR A 154      17.975  -2.908 -27.299  1.00 95.37           C  
+ATOM   1186  N   TYR A 155      19.344   2.458 -26.496  1.00 96.42           N  
+ATOM   1187  CA  TYR A 155      18.307   3.102 -27.295  1.00 96.42           C  
+ATOM   1188  C   TYR A 155      18.908   4.150 -28.224  1.00 96.42           C  
+ATOM   1189  CB  TYR A 155      17.255   3.749 -26.389  1.00 96.42           C  
+ATOM   1190  O   TYR A 155      18.523   4.246 -29.392  1.00 96.42           O  
+ATOM   1191  CG  TYR A 155      16.345   2.755 -25.709  1.00 96.42           C  
+ATOM   1192  CD1 TYR A 155      15.713   1.749 -26.436  1.00 96.42           C  
+ATOM   1193  CD2 TYR A 155      16.116   2.820 -24.339  1.00 96.42           C  
+ATOM   1194  CE1 TYR A 155      14.873   0.832 -25.813  1.00 96.42           C  
+ATOM   1195  CE2 TYR A 155      15.277   1.909 -23.706  1.00 96.42           C  
+ATOM   1196  OH  TYR A 155      13.831   0.014 -23.829  1.00 96.42           O  
+ATOM   1197  CZ  TYR A 155      14.662   0.919 -24.450  1.00 96.42           C  
+ATOM   1198  N   LEU A 156      19.893   4.955 -27.717  1.00 96.72           N  
+ATOM   1199  CA  LEU A 156      20.455   6.043 -28.511  1.00 96.72           C  
+ATOM   1200  C   LEU A 156      21.313   5.498 -29.648  1.00 96.72           C  
+ATOM   1201  CB  LEU A 156      21.288   6.976 -27.629  1.00 96.72           C  
+ATOM   1202  O   LEU A 156      21.359   6.085 -30.732  1.00 96.72           O  
+ATOM   1203  CG  LEU A 156      20.513   7.839 -26.633  1.00 96.72           C  
+ATOM   1204  CD1 LEU A 156      21.468   8.484 -25.634  1.00 96.72           C  
+ATOM   1205  CD2 LEU A 156      19.701   8.902 -27.366  1.00 96.72           C  
+ATOM   1206  N   ASN A 157      21.993   4.291 -29.456  1.00 96.44           N  
+ATOM   1207  CA  ASN A 157      22.798   3.659 -30.497  1.00 96.44           C  
+ATOM   1208  C   ASN A 157      21.924   3.065 -31.598  1.00 96.44           C  
+ATOM   1209  CB  ASN A 157      23.700   2.579 -29.895  1.00 96.44           C  
+ATOM   1210  O   ASN A 157      22.355   2.956 -32.747  1.00 96.44           O  
+ATOM   1211  CG  ASN A 157      24.875   3.159 -29.131  1.00 96.44           C  
+ATOM   1212  ND2 ASN A 157      25.406   2.390 -28.188  1.00 96.44           N  
+ATOM   1213  OD1 ASN A 157      25.300   4.288 -29.386  1.00 96.44           O  
+ATOM   1214  N   ASP A 158      20.679   2.733 -31.259  1.00 94.93           N  
+ATOM   1215  CA  ASP A 158      19.793   2.086 -32.222  1.00 94.93           C  
+ATOM   1216  C   ASP A 158      18.618   2.992 -32.583  1.00 94.93           C  
+ATOM   1217  CB  ASP A 158      19.280   0.754 -31.670  1.00 94.93           C  
+ATOM   1218  O   ASP A 158      17.506   2.513 -32.814  1.00 94.93           O  
+ATOM   1219  CG  ASP A 158      20.330  -0.343 -31.698  1.00 94.93           C  
+ATOM   1220  OD1 ASP A 158      21.186  -0.345 -32.609  1.00 94.93           O  
+ATOM   1221  OD2 ASP A 158      20.299  -1.214 -30.802  1.00 94.93           O  
+ATOM   1222  N   LEU A 159      18.861   4.296 -32.582  1.00 94.76           N  
+ATOM   1223  CA  LEU A 159      17.831   5.297 -32.835  1.00 94.76           C  
+ATOM   1224  C   LEU A 159      17.238   5.126 -34.229  1.00 94.76           C  
+ATOM   1225  CB  LEU A 159      18.404   6.708 -32.680  1.00 94.76           C  
+ATOM   1226  O   LEU A 159      16.044   5.358 -34.433  1.00 94.76           O  
+ATOM   1227  CG  LEU A 159      17.394   7.856 -32.700  1.00 94.76           C  
+ATOM   1228  CD1 LEU A 159      16.436   7.740 -31.519  1.00 94.76           C  
+ATOM   1229  CD2 LEU A 159      18.113   9.201 -32.681  1.00 94.76           C  
+ATOM   1230  N   ASP A 160      17.999   4.670 -35.197  1.00 93.44           N  
+ATOM   1231  CA  ASP A 160      17.554   4.477 -36.574  1.00 93.44           C  
+ATOM   1232  C   ASP A 160      16.448   3.428 -36.652  1.00 93.44           C  
+ATOM   1233  CB  ASP A 160      18.729   4.070 -37.466  1.00 93.44           C  
+ATOM   1234  O   ASP A 160      15.461   3.610 -37.368  1.00 93.44           O  
+ATOM   1235  CG  ASP A 160      19.713   5.202 -37.703  1.00 93.44           C  
+ATOM   1236  OD1 ASP A 160      19.295   6.380 -37.725  1.00 93.44           O  
+ATOM   1237  OD2 ASP A 160      20.918   4.913 -37.872  1.00 93.44           O  
+ATOM   1238  N   ARG A 161      16.620   2.377 -35.833  1.00 94.75           N  
+ATOM   1239  CA  ARG A 161      15.611   1.325 -35.755  1.00 94.75           C  
+ATOM   1240  C   ARG A 161      14.372   1.809 -35.009  1.00 94.75           C  
+ATOM   1241  CB  ARG A 161      16.183   0.082 -35.070  1.00 94.75           C  
+ATOM   1242  O   ARG A 161      13.245   1.574 -35.450  1.00 94.75           O  
+ATOM   1243  CG  ARG A 161      15.188  -1.061 -34.938  1.00 94.75           C  
+ATOM   1244  CD  ARG A 161      15.774  -2.232 -34.162  1.00 94.75           C  
+ATOM   1245  NE  ARG A 161      16.099  -1.859 -32.788  1.00 94.75           N  
+ATOM   1246  NH1 ARG A 161      13.926  -2.006 -32.016  1.00 94.75           N  
+ATOM   1247  NH2 ARG A 161      15.618  -1.413 -30.587  1.00 94.75           N  
+ATOM   1248  CZ  ARG A 161      15.214  -1.760 -31.800  1.00 94.75           C  
+ATOM   1249  N   ILE A 162      14.532   2.587 -33.961  1.00 93.69           N  
+ATOM   1250  CA  ILE A 162      13.481   3.023 -33.048  1.00 93.69           C  
+ATOM   1251  C   ILE A 162      12.648   4.121 -33.706  1.00 93.69           C  
+ATOM   1252  CB  ILE A 162      14.067   3.525 -31.709  1.00 93.69           C  
+ATOM   1253  O   ILE A 162      11.449   4.241 -33.443  1.00 93.69           O  
+ATOM   1254  CG1 ILE A 162      14.735   2.371 -30.953  1.00 93.69           C  
+ATOM   1255  CG2 ILE A 162      12.979   4.183 -30.856  1.00 93.69           C  
+ATOM   1256  CD1 ILE A 162      15.566   2.814 -29.756  1.00 93.69           C  
+ATOM   1257  N   ALA A 163      13.221   4.891 -34.635  1.00 92.27           N  
+ATOM   1258  CA  ALA A 163      12.588   6.066 -35.229  1.00 92.27           C  
+ATOM   1259  C   ALA A 163      11.815   5.694 -36.491  1.00 92.27           C  
+ATOM   1260  CB  ALA A 163      13.635   7.131 -35.545  1.00 92.27           C  
+ATOM   1261  O   ALA A 163      11.132   6.535 -37.079  1.00 92.27           O  
+ATOM   1262  N   GLN A 164      11.776   4.371 -36.865  1.00 92.22           N  
+ATOM   1263  CA  GLN A 164      11.010   3.919 -38.021  1.00 92.22           C  
+ATOM   1264  C   GLN A 164       9.510   3.989 -37.749  1.00 92.22           C  
+ATOM   1265  CB  GLN A 164      11.408   2.493 -38.404  1.00 92.22           C  
+ATOM   1266  O   GLN A 164       9.062   3.703 -36.637  1.00 92.22           O  
+ATOM   1267  CG  GLN A 164      12.840   2.368 -38.907  1.00 92.22           C  
+ATOM   1268  CD  GLN A 164      13.071   3.109 -40.211  1.00 92.22           C  
+ATOM   1269  NE2 GLN A 164      14.264   3.673 -40.369  1.00 92.22           N  
+ATOM   1270  OE1 GLN A 164      12.185   3.173 -41.069  1.00 92.22           O  
+ATOM   1271  N   PRO A 165       8.658   4.452 -38.666  1.00 86.86           N  
+ATOM   1272  CA  PRO A 165       7.211   4.609 -38.501  1.00 86.86           C  
+ATOM   1273  C   PRO A 165       6.506   3.291 -38.189  1.00 86.86           C  
+ATOM   1274  CB  PRO A 165       6.760   5.163 -39.855  1.00 86.86           C  
+ATOM   1275  O   PRO A 165       5.514   3.275 -37.456  1.00 86.86           O  
+ATOM   1276  CG  PRO A 165       7.980   5.804 -40.431  1.00 86.86           C  
+ATOM   1277  CD  PRO A 165       9.188   5.062 -39.936  1.00 86.86           C  
+ATOM   1278  N   ASN A 166       7.146   2.141 -38.611  1.00 90.60           N  
+ATOM   1279  CA  ASN A 166       6.541   0.836 -38.367  1.00 90.60           C  
+ATOM   1280  C   ASN A 166       7.257   0.086 -37.247  1.00 90.60           C  
+ATOM   1281  CB  ASN A 166       6.536  -0.002 -39.648  1.00 90.60           C  
+ATOM   1282  O   ASN A 166       7.181  -1.141 -37.168  1.00 90.60           O  
+ATOM   1283  CG  ASN A 166       7.925  -0.204 -40.219  1.00 90.60           C  
+ATOM   1284  ND2 ASN A 166       8.068  -1.190 -41.097  1.00 90.60           N  
+ATOM   1285  OD1 ASN A 166       8.863   0.520 -39.874  1.00 90.60           O  
+ATOM   1286  N   TYR A 167       8.021   0.788 -36.413  1.00 93.07           N  
+ATOM   1287  CA  TYR A 167       8.798   0.221 -35.317  1.00 93.07           C  
+ATOM   1288  C   TYR A 167       7.890  -0.468 -34.305  1.00 93.07           C  
+ATOM   1289  CB  TYR A 167       9.621   1.310 -34.622  1.00 93.07           C  
+ATOM   1290  O   TYR A 167       6.925   0.127 -33.820  1.00 93.07           O  
+ATOM   1291  CG  TYR A 167      10.260   0.857 -33.332  1.00 93.07           C  
+ATOM   1292  CD1 TYR A 167       9.891   1.422 -32.113  1.00 93.07           C  
+ATOM   1293  CD2 TYR A 167      11.235  -0.136 -33.328  1.00 93.07           C  
+ATOM   1294  CE1 TYR A 167      10.478   1.009 -30.921  1.00 93.07           C  
+ATOM   1295  CE2 TYR A 167      11.829  -0.556 -32.143  1.00 93.07           C  
+ATOM   1296  OH  TYR A 167      12.029  -0.392 -29.770  1.00 93.07           O  
+ATOM   1297  CZ  TYR A 167      11.444   0.021 -30.946  1.00 93.07           C  
+ATOM   1298  N   ILE A 168       8.182  -1.710 -34.089  1.00 93.58           N  
+ATOM   1299  CA  ILE A 168       7.570  -2.502 -33.027  1.00 93.58           C  
+ATOM   1300  C   ILE A 168       8.645  -2.981 -32.055  1.00 93.58           C  
+ATOM   1301  CB  ILE A 168       6.789  -3.706 -33.599  1.00 93.58           C  
+ATOM   1302  O   ILE A 168       9.598  -3.654 -32.456  1.00 93.58           O  
+ATOM   1303  CG1 ILE A 168       5.693  -3.226 -34.558  1.00 93.58           C  
+ATOM   1304  CG2 ILE A 168       6.196  -4.551 -32.468  1.00 93.58           C  
+ATOM   1305  CD1 ILE A 168       4.980  -4.351 -35.296  1.00 93.58           C  
+ATOM   1306  N   PRO A 169       8.483  -2.510 -30.821  1.00 95.46           N  
+ATOM   1307  CA  PRO A 169       9.505  -2.898 -29.845  1.00 95.46           C  
+ATOM   1308  C   PRO A 169       9.724  -4.408 -29.788  1.00 95.46           C  
+ATOM   1309  CB  PRO A 169       8.942  -2.378 -28.520  1.00 95.46           C  
+ATOM   1310  O   PRO A 169       8.763  -5.178 -29.863  1.00 95.46           O  
+ATOM   1311  CG  PRO A 169       8.051  -1.240 -28.904  1.00 95.46           C  
+ATOM   1312  CD  PRO A 169       7.394  -1.570 -30.213  1.00 95.46           C  
+ATOM   1313  N   THR A 170      11.042  -4.759 -29.702  1.00 94.94           N  
+ATOM   1314  CA  THR A 170      11.412  -6.159 -29.525  1.00 94.94           C  
+ATOM   1315  C   THR A 170      11.311  -6.563 -28.057  1.00 94.94           C  
+ATOM   1316  CB  THR A 170      12.839  -6.429 -30.037  1.00 94.94           C  
+ATOM   1317  O   THR A 170      11.133  -5.711 -27.184  1.00 94.94           O  
+ATOM   1318  CG2 THR A 170      13.005  -5.956 -31.477  1.00 94.94           C  
+ATOM   1319  OG1 THR A 170      13.778  -5.734 -29.207  1.00 94.94           O  
+ATOM   1320  N   GLN A 171      11.359  -7.781 -27.783  1.00 93.59           N  
+ATOM   1321  CA  GLN A 171      11.363  -8.252 -26.402  1.00 93.59           C  
+ATOM   1322  C   GLN A 171      12.524  -7.646 -25.618  1.00 93.59           C  
+ATOM   1323  CB  GLN A 171      11.438  -9.779 -26.355  1.00 93.59           C  
+ATOM   1324  O   GLN A 171      12.388  -7.347 -24.430  1.00 93.59           O  
+ATOM   1325  CG  GLN A 171      10.155 -10.471 -26.795  1.00 93.59           C  
+ATOM   1326  CD  GLN A 171      10.164 -11.961 -26.508  1.00 93.59           C  
+ATOM   1327  NE2 GLN A 171       9.547 -12.739 -27.391  1.00 93.59           N  
+ATOM   1328  OE1 GLN A 171      10.721 -12.409 -25.500  1.00 93.59           O  
+ATOM   1329  N   GLN A 172      13.656  -7.435 -26.354  1.00 94.15           N  
+ATOM   1330  CA  GLN A 172      14.810  -6.803 -25.723  1.00 94.15           C  
+ATOM   1331  C   GLN A 172      14.521  -5.344 -25.383  1.00 94.15           C  
+ATOM   1332  CB  GLN A 172      16.037  -6.898 -26.631  1.00 94.15           C  
+ATOM   1333  O   GLN A 172      14.950  -4.847 -24.339  1.00 94.15           O  
+ATOM   1334  CG  GLN A 172      17.332  -6.454 -25.963  1.00 94.15           C  
+ATOM   1335  CD  GLN A 172      17.653  -7.256 -24.715  1.00 94.15           C  
+ATOM   1336  NE2 GLN A 172      18.350  -6.631 -23.772  1.00 94.15           N  
+ATOM   1337  OE1 GLN A 172      17.277  -8.426 -24.599  1.00 94.15           O  
+ATOM   1338  N   ASP A 173      13.716  -4.668 -26.246  1.00 95.59           N  
+ATOM   1339  CA  ASP A 173      13.289  -3.298 -25.977  1.00 95.59           C  
+ATOM   1340  C   ASP A 173      12.398  -3.234 -24.738  1.00 95.59           C  
+ATOM   1341  CB  ASP A 173      12.552  -2.719 -27.186  1.00 95.59           C  
+ATOM   1342  O   ASP A 173      12.552  -2.342 -23.901  1.00 95.59           O  
+ATOM   1343  CG  ASP A 173      13.444  -2.562 -28.405  1.00 95.59           C  
+ATOM   1344  OD1 ASP A 173      14.661  -2.328 -28.244  1.00 95.59           O  
+ATOM   1345  OD2 ASP A 173      12.924  -2.671 -29.537  1.00 95.59           O  
+ATOM   1346  N   VAL A 174      11.540  -4.229 -24.655  1.00 94.78           N  
+ATOM   1347  CA  VAL A 174      10.603  -4.291 -23.538  1.00 94.78           C  
+ATOM   1348  C   VAL A 174      11.367  -4.501 -22.233  1.00 94.78           C  
+ATOM   1349  CB  VAL A 174       9.561  -5.416 -23.733  1.00 94.78           C  
+ATOM   1350  O   VAL A 174      11.106  -3.821 -21.237  1.00 94.78           O  
+ATOM   1351  CG1 VAL A 174       8.680  -5.557 -22.493  1.00 94.78           C  
+ATOM   1352  CG2 VAL A 174       8.708  -5.144 -24.971  1.00 94.78           C  
+ATOM   1353  N   LEU A 175      12.364  -5.371 -22.212  1.00 94.26           N  
+ATOM   1354  CA  LEU A 175      13.146  -5.685 -21.022  1.00 94.26           C  
+ATOM   1355  C   LEU A 175      13.920  -4.462 -20.542  1.00 94.26           C  
+ATOM   1356  CB  LEU A 175      14.114  -6.837 -21.305  1.00 94.26           C  
+ATOM   1357  O   LEU A 175      14.157  -4.303 -19.342  1.00 94.26           O  
+ATOM   1358  CG  LEU A 175      13.491  -8.226 -21.451  1.00 94.26           C  
+ATOM   1359  CD1 LEU A 175      14.550  -9.241 -21.870  1.00 94.26           C  
+ATOM   1360  CD2 LEU A 175      12.820  -8.651 -20.150  1.00 94.26           C  
+ATOM   1361  N   ARG A 176      14.247  -3.529 -21.415  1.00 94.19           N  
+ATOM   1362  CA  ARG A 176      15.149  -2.422 -21.115  1.00 94.19           C  
+ATOM   1363  C   ARG A 176      14.371  -1.146 -20.813  1.00 94.19           C  
+ATOM   1364  CB  ARG A 176      16.115  -2.185 -22.278  1.00 94.19           C  
+ATOM   1365  O   ARG A 176      14.962  -0.114 -20.489  1.00 94.19           O  
+ATOM   1366  CG  ARG A 176      17.158  -3.278 -22.447  1.00 94.19           C  
+ATOM   1367  CD  ARG A 176      18.154  -2.943 -23.548  1.00 94.19           C  
+ATOM   1368  NE  ARG A 176      19.213  -3.943 -23.639  1.00 94.19           N  
+ATOM   1369  NH1 ARG A 176      20.810  -2.648 -22.585  1.00 94.19           N  
+ATOM   1370  NH2 ARG A 176      21.337  -4.756 -23.316  1.00 94.19           N  
+ATOM   1371  CZ  ARG A 176      20.451  -3.780 -23.180  1.00 94.19           C  
+ATOM   1372  N   THR A 177      13.050  -1.294 -20.972  1.00 94.06           N  
+ATOM   1373  CA  THR A 177      12.218  -0.145 -20.632  1.00 94.06           C  
+ATOM   1374  C   THR A 177      12.227   0.102 -19.126  1.00 94.06           C  
+ATOM   1375  CB  THR A 177      10.769  -0.342 -21.114  1.00 94.06           C  
+ATOM   1376  O   THR A 177      12.332  -0.839 -18.338  1.00 94.06           O  
+ATOM   1377  CG2 THR A 177      10.704  -0.450 -22.634  1.00 94.06           C  
+ATOM   1378  OG1 THR A 177      10.239  -1.542 -20.538  1.00 94.06           O  
+ATOM   1379  N   ARG A 178      12.149   1.351 -18.775  1.00 90.06           N  
+ATOM   1380  CA  ARG A 178      12.102   1.734 -17.368  1.00 90.06           C  
+ATOM   1381  C   ARG A 178      10.822   2.502 -17.052  1.00 90.06           C  
+ATOM   1382  CB  ARG A 178      13.324   2.578 -16.998  1.00 90.06           C  
+ATOM   1383  O   ARG A 178      10.560   3.552 -17.643  1.00 90.06           O  
+ATOM   1384  CG  ARG A 178      13.370   2.986 -15.534  1.00 90.06           C  
+ATOM   1385  CD  ARG A 178      14.601   3.825 -15.222  1.00 90.06           C  
+ATOM   1386  NE  ARG A 178      14.607   4.278 -13.833  1.00 90.06           N  
+ATOM   1387  NH1 ARG A 178      16.606   5.425 -13.999  1.00 90.06           N  
+ATOM   1388  NH2 ARG A 178      15.465   5.382 -12.011  1.00 90.06           N  
+ATOM   1389  CZ  ARG A 178      15.559   5.027 -13.284  1.00 90.06           C  
+ATOM   1390  N   VAL A 179      10.047   1.942 -16.144  1.00 87.47           N  
+ATOM   1391  CA  VAL A 179       8.868   2.556 -15.544  1.00 87.47           C  
+ATOM   1392  C   VAL A 179       8.935   2.430 -14.024  1.00 87.47           C  
+ATOM   1393  CB  VAL A 179       7.564   1.918 -16.074  1.00 87.47           C  
+ATOM   1394  O   VAL A 179       9.131   1.334 -13.494  1.00 87.47           O  
+ATOM   1395  CG1 VAL A 179       6.342   2.596 -15.458  1.00 87.47           C  
+ATOM   1396  CG2 VAL A 179       7.512   2.001 -17.599  1.00 87.47           C  
+ATOM   1397  N   LYS A 180       8.857   3.555 -13.413  1.00 82.97           N  
+ATOM   1398  CA  LYS A 180       8.899   3.510 -11.954  1.00 82.97           C  
+ATOM   1399  C   LYS A 180       7.808   2.598 -11.401  1.00 82.97           C  
+ATOM   1400  CB  LYS A 180       8.755   4.915 -11.369  1.00 82.97           C  
+ATOM   1401  O   LYS A 180       6.635   2.740 -11.753  1.00 82.97           O  
+ATOM   1402  CG  LYS A 180       9.020   4.994  -9.873  1.00 82.97           C  
+ATOM   1403  CD  LYS A 180       8.928   6.426  -9.363  1.00 82.97           C  
+ATOM   1404  CE  LYS A 180       9.148   6.500  -7.858  1.00 82.97           C  
+ATOM   1405  NZ  LYS A 180       9.083   7.905  -7.357  1.00 82.97           N  
+ATOM   1406  N   THR A 181       8.239   1.538 -10.685  1.00 82.44           N  
+ATOM   1407  CA  THR A 181       7.275   0.622 -10.085  1.00 82.44           C  
+ATOM   1408  C   THR A 181       6.679   1.220  -8.814  1.00 82.44           C  
+ATOM   1409  CB  THR A 181       7.923  -0.737  -9.760  1.00 82.44           C  
+ATOM   1410  O   THR A 181       7.412   1.630  -7.911  1.00 82.44           O  
+ATOM   1411  CG2 THR A 181       6.884  -1.738  -9.266  1.00 82.44           C  
+ATOM   1412  OG1 THR A 181       8.547  -1.257 -10.941  1.00 82.44           O  
+ATOM   1413  N   THR A 182       5.345   1.423  -8.796  1.00 81.30           N  
+ATOM   1414  CA  THR A 182       4.640   1.904  -7.614  1.00 81.30           C  
+ATOM   1415  C   THR A 182       3.744   0.812  -7.037  1.00 81.30           C  
+ATOM   1416  CB  THR A 182       3.793   3.150  -7.937  1.00 81.30           C  
+ATOM   1417  O   THR A 182       3.192  -0.002  -7.779  1.00 81.30           O  
+ATOM   1418  CG2 THR A 182       4.666   4.291  -8.448  1.00 81.30           C  
+ATOM   1419  OG1 THR A 182       2.826   2.816  -8.940  1.00 81.30           O  
+ATOM   1420  N   GLY A 183       3.760   0.642  -5.713  1.00 77.89           N  
+ATOM   1421  CA  GLY A 183       2.944  -0.375  -5.070  1.00 77.89           C  
+ATOM   1422  C   GLY A 183       3.512  -1.775  -5.213  1.00 77.89           C  
+ATOM   1423  O   GLY A 183       4.728  -1.949  -5.316  1.00 77.89           O  
+ATOM   1424  N   ILE A 184       2.647  -2.812  -5.124  1.00 82.49           N  
+ATOM   1425  CA  ILE A 184       3.021  -4.220  -5.198  1.00 82.49           C  
+ATOM   1426  C   ILE A 184       2.401  -4.854  -6.441  1.00 82.49           C  
+ATOM   1427  CB  ILE A 184       2.586  -4.988  -3.930  1.00 82.49           C  
+ATOM   1428  O   ILE A 184       1.181  -4.820  -6.619  1.00 82.49           O  
+ATOM   1429  CG1 ILE A 184       3.180  -4.332  -2.678  1.00 82.49           C  
+ATOM   1430  CG2 ILE A 184       2.995  -6.461  -4.024  1.00 82.49           C  
+ATOM   1431  CD1 ILE A 184       2.602  -4.856  -1.371  1.00 82.49           C  
+ATOM   1432  N   VAL A 185       3.251  -5.271  -7.314  1.00 84.78           N  
+ATOM   1433  CA  VAL A 185       2.777  -5.938  -8.523  1.00 84.78           C  
+ATOM   1434  C   VAL A 185       2.958  -7.448  -8.385  1.00 84.78           C  
+ATOM   1435  CB  VAL A 185       3.513  -5.425  -9.780  1.00 84.78           C  
+ATOM   1436  O   VAL A 185       4.036  -7.919  -8.016  1.00 84.78           O  
+ATOM   1437  CG1 VAL A 185       3.015  -6.148 -11.030  1.00 84.78           C  
+ATOM   1438  CG2 VAL A 185       3.334  -3.915  -9.925  1.00 84.78           C  
+ATOM   1439  N   GLU A 186       1.873  -8.210  -8.715  1.00 87.66           N  
+ATOM   1440  CA  GLU A 186       1.889  -9.666  -8.610  1.00 87.66           C  
+ATOM   1441  C   GLU A 186       1.904 -10.319  -9.989  1.00 87.66           C  
+ATOM   1442  CB  GLU A 186       0.683 -10.161  -7.807  1.00 87.66           C  
+ATOM   1443  O   GLU A 186       1.107  -9.962 -10.859  1.00 87.66           O  
+ATOM   1444  CG  GLU A 186       0.684 -11.662  -7.558  1.00 87.66           C  
+ATOM   1445  CD  GLU A 186      -0.547 -12.146  -6.808  1.00 87.66           C  
+ATOM   1446  OE1 GLU A 186      -0.736 -13.378  -6.684  1.00 87.66           O  
+ATOM   1447  OE2 GLU A 186      -1.328 -11.288  -6.341  1.00 87.66           O  
+ATOM   1448  N   THR A 187       2.904 -11.233 -10.191  1.00 86.59           N  
+ATOM   1449  CA  THR A 187       3.000 -11.987 -11.437  1.00 86.59           C  
+ATOM   1450  C   THR A 187       2.897 -13.486 -11.171  1.00 86.59           C  
+ATOM   1451  CB  THR A 187       4.318 -11.683 -12.173  1.00 86.59           C  
+ATOM   1452  O   THR A 187       3.541 -14.006 -10.257  1.00 86.59           O  
+ATOM   1453  CG2 THR A 187       4.369 -12.388 -13.524  1.00 86.59           C  
+ATOM   1454  OG1 THR A 187       4.428 -10.269 -12.380  1.00 86.59           O  
+ATOM   1455  N   HIS A 188       2.070 -14.141 -11.967  1.00 86.92           N  
+ATOM   1456  CA  HIS A 188       1.847 -15.572 -11.800  1.00 86.92           C  
+ATOM   1457  C   HIS A 188       2.418 -16.360 -12.974  1.00 86.92           C  
+ATOM   1458  CB  HIS A 188       0.353 -15.867 -11.648  1.00 86.92           C  
+ATOM   1459  O   HIS A 188       2.248 -15.969 -14.131  1.00 86.92           O  
+ATOM   1460  CG  HIS A 188      -0.296 -15.115 -10.529  1.00 86.92           C  
+ATOM   1461  CD2 HIS A 188      -0.698 -13.826 -10.441  1.00 86.92           C  
+ATOM   1462  ND1 HIS A 188      -0.597 -15.698  -9.317  1.00 86.92           N  
+ATOM   1463  CE1 HIS A 188      -1.159 -14.796  -8.530  1.00 86.92           C  
+ATOM   1464  NE2 HIS A 188      -1.231 -13.652  -9.188  1.00 86.92           N  
+ATOM   1465  N   PHE A 189       3.108 -17.449 -12.695  1.00 86.96           N  
+ATOM   1466  CA  PHE A 189       3.580 -18.333 -13.754  1.00 86.96           C  
+ATOM   1467  C   PHE A 189       3.754 -19.755 -13.234  1.00 86.96           C  
+ATOM   1468  CB  PHE A 189       4.901 -17.821 -14.335  1.00 86.96           C  
+ATOM   1469  O   PHE A 189       3.847 -19.973 -12.024  1.00 86.96           O  
+ATOM   1470  CG  PHE A 189       6.013 -17.728 -13.325  1.00 86.96           C  
+ATOM   1471  CD1 PHE A 189       6.167 -16.591 -12.542  1.00 86.96           C  
+ATOM   1472  CD2 PHE A 189       6.905 -18.780 -13.159  1.00 86.96           C  
+ATOM   1473  CE1 PHE A 189       7.195 -16.503 -11.606  1.00 86.96           C  
+ATOM   1474  CE2 PHE A 189       7.935 -18.699 -12.226  1.00 86.96           C  
+ATOM   1475  CZ  PHE A 189       8.079 -17.559 -11.451  1.00 86.96           C  
+ATOM   1476  N   THR A 190       3.672 -20.704 -14.108  1.00 83.01           N  
+ATOM   1477  CA  THR A 190       3.828 -22.111 -13.757  1.00 83.01           C  
+ATOM   1478  C   THR A 190       5.155 -22.655 -14.279  1.00 83.01           C  
+ATOM   1479  CB  THR A 190       2.668 -22.958 -14.313  1.00 83.01           C  
+ATOM   1480  O   THR A 190       5.532 -22.393 -15.423  1.00 83.01           O  
+ATOM   1481  CG2 THR A 190       2.782 -24.410 -13.861  1.00 83.01           C  
+ATOM   1482  OG1 THR A 190       1.425 -22.420 -13.846  1.00 83.01           O  
+ATOM   1483  N   PHE A 191       5.846 -23.341 -13.379  1.00 81.88           N  
+ATOM   1484  CA  PHE A 191       7.132 -23.943 -13.712  1.00 81.88           C  
+ATOM   1485  C   PHE A 191       7.317 -25.266 -12.978  1.00 81.88           C  
+ATOM   1486  CB  PHE A 191       8.279 -22.987 -13.370  1.00 81.88           C  
+ATOM   1487  O   PHE A 191       7.177 -25.327 -11.754  1.00 81.88           O  
+ATOM   1488  CG  PHE A 191       9.642 -23.533 -13.699  1.00 81.88           C  
+ATOM   1489  CD1 PHE A 191      10.566 -23.787 -12.692  1.00 81.88           C  
+ATOM   1490  CD2 PHE A 191      10.000 -23.792 -15.015  1.00 81.88           C  
+ATOM   1491  CE1 PHE A 191      11.829 -24.293 -12.994  1.00 81.88           C  
+ATOM   1492  CE2 PHE A 191      11.260 -24.297 -15.325  1.00 81.88           C  
+ATOM   1493  CZ  PHE A 191      12.173 -24.546 -14.313  1.00 81.88           C  
+ATOM   1494  N   LYS A 192       7.598 -26.425 -13.661  1.00 78.26           N  
+ATOM   1495  CA  LYS A 192       7.791 -27.759 -13.100  1.00 78.26           C  
+ATOM   1496  C   LYS A 192       6.601 -28.171 -12.238  1.00 78.26           C  
+ATOM   1497  CB  LYS A 192       9.078 -27.814 -12.276  1.00 78.26           C  
+ATOM   1498  O   LYS A 192       6.776 -28.651 -11.117  1.00 78.26           O  
+ATOM   1499  CG  LYS A 192      10.349 -27.684 -13.103  1.00 78.26           C  
+ATOM   1500  CD  LYS A 192      11.591 -27.968 -12.269  1.00 78.26           C  
+ATOM   1501  CE  LYS A 192      12.849 -27.991 -13.126  1.00 78.26           C  
+ATOM   1502  NZ  LYS A 192      14.067 -28.290 -12.316  1.00 78.26           N  
+ATOM   1503  N   ASP A 193       5.296 -27.780 -12.610  1.00 74.21           N  
+ATOM   1504  CA  ASP A 193       4.032 -28.191 -12.006  1.00 74.21           C  
+ATOM   1505  C   ASP A 193       3.791 -27.462 -10.686  1.00 74.21           C  
+ATOM   1506  CB  ASP A 193       4.010 -29.705 -11.784  1.00 74.21           C  
+ATOM   1507  O   ASP A 193       2.968 -27.892  -9.876  1.00 74.21           O  
+ATOM   1508  CG  ASP A 193       4.000 -30.495 -13.080  1.00 74.21           C  
+ATOM   1509  OD1 ASP A 193       3.371 -30.046 -14.063  1.00 74.21           O  
+ATOM   1510  OD2 ASP A 193       4.623 -31.578 -13.119  1.00 74.21           O  
+ATOM   1511  N   LEU A 194       4.687 -26.470 -10.411  1.00 78.78           N  
+ATOM   1512  CA  LEU A 194       4.475 -25.589  -9.268  1.00 78.78           C  
+ATOM   1513  C   LEU A 194       3.943 -24.233  -9.718  1.00 78.78           C  
+ATOM   1514  CB  LEU A 194       5.777 -25.406  -8.483  1.00 78.78           C  
+ATOM   1515  O   LEU A 194       4.323 -23.734 -10.780  1.00 78.78           O  
+ATOM   1516  CG  LEU A 194       6.350 -26.658  -7.818  1.00 78.78           C  
+ATOM   1517  CD1 LEU A 194       7.751 -26.380  -7.283  1.00 78.78           C  
+ATOM   1518  CD2 LEU A 194       5.431 -27.138  -6.700  1.00 78.78           C  
+ATOM   1519  N   HIS A 195       3.040 -23.716  -8.968  1.00 82.76           N  
+ATOM   1520  CA  HIS A 195       2.493 -22.388  -9.221  1.00 82.76           C  
+ATOM   1521  C   HIS A 195       3.268 -21.319  -8.456  1.00 82.76           C  
+ATOM   1522  CB  HIS A 195       1.013 -22.336  -8.840  1.00 82.76           C  
+ATOM   1523  O   HIS A 195       3.353 -21.369  -7.226  1.00 82.76           O  
+ATOM   1524  CG  HIS A 195       0.137 -23.164  -9.726  1.00 82.76           C  
+ATOM   1525  CD2 HIS A 195      -0.451 -24.366  -9.521  1.00 82.76           C  
+ATOM   1526  ND1 HIS A 195      -0.220 -22.771 -10.998  1.00 82.76           N  
+ATOM   1527  CE1 HIS A 195      -0.992 -23.699 -11.538  1.00 82.76           C  
+ATOM   1528  NE2 HIS A 195      -1.148 -24.677 -10.663  1.00 82.76           N  
+ATOM   1529  N   PHE A 196       3.943 -20.423  -9.256  1.00 87.22           N  
+ATOM   1530  CA  PHE A 196       4.746 -19.372  -8.642  1.00 87.22           C  
+ATOM   1531  C   PHE A 196       3.978 -18.056  -8.606  1.00 87.22           C  
+ATOM   1532  CB  PHE A 196       6.064 -19.190  -9.400  1.00 87.22           C  
+ATOM   1533  O   PHE A 196       3.317 -17.690  -9.580  1.00 87.22           O  
+ATOM   1534  CG  PHE A 196       7.059 -20.294  -9.162  1.00 87.22           C  
+ATOM   1535  CD1 PHE A 196       8.071 -20.146  -8.222  1.00 87.22           C  
+ATOM   1536  CD2 PHE A 196       6.981 -21.481  -9.879  1.00 87.22           C  
+ATOM   1537  CE1 PHE A 196       8.993 -21.167  -8.000  1.00 87.22           C  
+ATOM   1538  CE2 PHE A 196       7.898 -22.505  -9.663  1.00 87.22           C  
+ATOM   1539  CZ  PHE A 196       8.904 -22.346  -8.723  1.00 87.22           C  
+ATOM   1540  N   LYS A 197       4.007 -17.491  -7.434  1.00 88.34           N  
+ATOM   1541  CA  LYS A 197       3.555 -16.115  -7.252  1.00 88.34           C  
+ATOM   1542  C   LYS A 197       4.720 -15.198  -6.888  1.00 88.34           C  
+ATOM   1543  CB  LYS A 197       2.475 -16.042  -6.172  1.00 88.34           C  
+ATOM   1544  O   LYS A 197       5.312 -15.333  -5.815  1.00 88.34           O  
+ATOM   1545  CG  LYS A 197       1.710 -14.727  -6.148  1.00 88.34           C  
+ATOM   1546  CD  LYS A 197       0.538 -14.779  -5.177  1.00 88.34           C  
+ATOM   1547  CE  LYS A 197      -0.234 -13.467  -5.159  1.00 88.34           C  
+ATOM   1548  NZ  LYS A 197      -1.396 -13.520  -4.222  1.00 88.34           N  
+ATOM   1549  N   MET A 198       5.015 -14.346  -7.898  1.00 90.46           N  
+ATOM   1550  CA  MET A 198       6.151 -13.449  -7.703  1.00 90.46           C  
+ATOM   1551  C   MET A 198       5.679 -12.031  -7.400  1.00 90.46           C  
+ATOM   1552  CB  MET A 198       7.054 -13.448  -8.937  1.00 90.46           C  
+ATOM   1553  O   MET A 198       4.825 -11.493  -8.106  1.00 90.46           O  
+ATOM   1554  CG  MET A 198       8.349 -12.673  -8.748  1.00 90.46           C  
+ATOM   1555  SD  MET A 198       9.546 -12.963 -10.108  1.00 90.46           S  
+ATOM   1556  CE  MET A 198       8.687 -12.130 -11.473  1.00 90.46           C  
+ATOM   1557  N   PHE A 199       6.179 -11.473  -6.270  1.00 90.65           N  
+ATOM   1558  CA  PHE A 199       5.801 -10.132  -5.838  1.00 90.65           C  
+ATOM   1559  C   PHE A 199       6.920  -9.137  -6.122  1.00 90.65           C  
+ATOM   1560  CB  PHE A 199       5.458 -10.124  -4.345  1.00 90.65           C  
+ATOM   1561  O   PHE A 199       8.044  -9.306  -5.646  1.00 90.65           O  
+ATOM   1562  CG  PHE A 199       4.342 -11.063  -3.974  1.00 90.65           C  
+ATOM   1563  CD1 PHE A 199       3.024 -10.622  -3.945  1.00 90.65           C  
+ATOM   1564  CD2 PHE A 199       4.610 -12.387  -3.653  1.00 90.65           C  
+ATOM   1565  CE1 PHE A 199       1.989 -11.488  -3.601  1.00 90.65           C  
+ATOM   1566  CE2 PHE A 199       3.581 -13.259  -3.310  1.00 90.65           C  
+ATOM   1567  CZ  PHE A 199       2.271 -12.807  -3.283  1.00 90.65           C  
+ATOM   1568  N   ASP A 200       6.599  -8.127  -7.014  1.00 92.04           N  
+ATOM   1569  CA  ASP A 200       7.510  -7.042  -7.363  1.00 92.04           C  
+ATOM   1570  C   ASP A 200       7.130  -5.751  -6.641  1.00 92.04           C  
+ATOM   1571  CB  ASP A 200       7.521  -6.815  -8.876  1.00 92.04           C  
+ATOM   1572  O   ASP A 200       6.078  -5.168  -6.914  1.00 92.04           O  
+ATOM   1573  CG  ASP A 200       8.525  -5.762  -9.311  1.00 92.04           C  
+ATOM   1574  OD1 ASP A 200       9.530  -5.546  -8.599  1.00 92.04           O  
+ATOM   1575  OD2 ASP A 200       8.309  -5.140 -10.374  1.00 92.04           O  
+ATOM   1576  N   VAL A 201       7.909  -5.398  -5.633  1.00 89.98           N  
+ATOM   1577  CA  VAL A 201       7.600  -4.209  -4.845  1.00 89.98           C  
+ATOM   1578  C   VAL A 201       8.515  -3.060  -5.263  1.00 89.98           C  
+ATOM   1579  CB  VAL A 201       7.742  -4.480  -3.330  1.00 89.98           C  
+ATOM   1580  O   VAL A 201       9.640  -3.286  -5.713  1.00 89.98           O  
+ATOM   1581  CG1 VAL A 201       6.712  -5.507  -2.866  1.00 89.98           C  
+ATOM   1582  CG2 VAL A 201       9.158  -4.953  -3.004  1.00 89.98           C  
+ATOM   1583  N   GLY A 202       8.005  -1.872  -5.285  1.00 86.83           N  
+ATOM   1584  CA  GLY A 202       8.835  -0.719  -5.596  1.00 86.83           C  
+ATOM   1585  C   GLY A 202      10.043  -0.592  -4.687  1.00 86.83           C  
+ATOM   1586  O   GLY A 202       9.938  -0.785  -3.474  1.00 86.83           O  
+ATOM   1587  N   GLY A 203      11.151  -0.268  -5.190  1.00 85.24           N  
+ATOM   1588  CA  GLY A 203      12.411  -0.252  -4.465  1.00 85.24           C  
+ATOM   1589  C   GLY A 203      12.816   1.135  -4.002  1.00 85.24           C  
+ATOM   1590  O   GLY A 203      13.765   1.284  -3.229  1.00 85.24           O  
+ATOM   1591  N   GLN A 204      11.970   2.157  -4.329  1.00 83.82           N  
+ATOM   1592  CA  GLN A 204      12.269   3.520  -3.902  1.00 83.82           C  
+ATOM   1593  C   GLN A 204      11.912   3.728  -2.433  1.00 83.82           C  
+ATOM   1594  CB  GLN A 204      11.522   4.531  -4.773  1.00 83.82           C  
+ATOM   1595  O   GLN A 204      11.029   3.051  -1.902  1.00 83.82           O  
+ATOM   1596  CG  GLN A 204      11.968   4.537  -6.229  1.00 83.82           C  
+ATOM   1597  CD  GLN A 204      11.280   5.612  -7.049  1.00 83.82           C  
+ATOM   1598  NE2 GLN A 204      11.735   5.798  -8.284  1.00 83.82           N  
+ATOM   1599  OE1 GLN A 204      10.347   6.269  -6.577  1.00 83.82           O  
+ATOM   1600  N   ARG A 205      12.602   4.674  -1.749  1.00 84.76           N  
+ATOM   1601  CA  ARG A 205      12.428   4.866  -0.313  1.00 84.76           C  
+ATOM   1602  C   ARG A 205      10.962   5.106   0.034  1.00 84.76           C  
+ATOM   1603  CB  ARG A 205      13.281   6.037   0.180  1.00 84.76           C  
+ATOM   1604  O   ARG A 205      10.467   4.599   1.042  1.00 84.76           O  
+ATOM   1605  CG  ARG A 205      14.756   5.700   0.338  1.00 84.76           C  
+ATOM   1606  CD  ARG A 205      15.512   6.807   1.060  1.00 84.76           C  
+ATOM   1607  NE  ARG A 205      16.941   6.516   1.144  1.00 84.76           N  
+ATOM   1608  NH1 ARG A 205      17.452   8.367   2.429  1.00 84.76           N  
+ATOM   1609  NH2 ARG A 205      19.106   6.908   1.804  1.00 84.76           N  
+ATOM   1610  CZ  ARG A 205      17.830   7.264   1.792  1.00 84.76           C  
+ATOM   1611  N   SER A 206      10.184   5.850  -0.731  1.00 78.59           N  
+ATOM   1612  CA  SER A 206       8.786   6.195  -0.493  1.00 78.59           C  
+ATOM   1613  C   SER A 206       7.888   4.967  -0.598  1.00 78.59           C  
+ATOM   1614  CB  SER A 206       8.321   7.262  -1.485  1.00 78.59           C  
+ATOM   1615  O   SER A 206       6.775   4.958  -0.068  1.00 78.59           O  
+ATOM   1616  OG  SER A 206       8.474   6.810  -2.819  1.00 78.59           O  
+ATOM   1617  N   GLU A 207       8.370   3.890  -1.190  1.00 83.78           N  
+ATOM   1618  CA  GLU A 207       7.556   2.705  -1.441  1.00 83.78           C  
+ATOM   1619  C   GLU A 207       7.860   1.602  -0.431  1.00 83.78           C  
+ATOM   1620  CB  GLU A 207       7.780   2.190  -2.865  1.00 83.78           C  
+ATOM   1621  O   GLU A 207       7.110   0.631  -0.319  1.00 83.78           O  
+ATOM   1622  CG  GLU A 207       7.317   3.155  -3.947  1.00 83.78           C  
+ATOM   1623  CD  GLU A 207       5.826   3.445  -3.895  1.00 83.78           C  
+ATOM   1624  OE1 GLU A 207       5.439   4.636  -3.892  1.00 83.78           O  
+ATOM   1625  OE2 GLU A 207       5.038   2.474  -3.856  1.00 83.78           O  
+ATOM   1626  N   ARG A 208       8.906   1.693   0.322  1.00 84.92           N  
+ATOM   1627  CA  ARG A 208       9.430   0.630   1.173  1.00 84.92           C  
+ATOM   1628  C   ARG A 208       8.477   0.332   2.326  1.00 84.92           C  
+ATOM   1629  CB  ARG A 208      10.809   1.008   1.718  1.00 84.92           C  
+ATOM   1630  O   ARG A 208       8.458  -0.784   2.850  1.00 84.92           O  
+ATOM   1631  CG  ARG A 208      11.912   0.986   0.671  1.00 84.92           C  
+ATOM   1632  CD  ARG A 208      13.253   1.407   1.256  1.00 84.92           C  
+ATOM   1633  NE  ARG A 208      14.244   1.648   0.212  1.00 84.92           N  
+ATOM   1634  NH1 ARG A 208      15.831   2.537   1.635  1.00 84.92           N  
+ATOM   1635  NH2 ARG A 208      16.271   2.354  -0.607  1.00 84.92           N  
+ATOM   1636  CZ  ARG A 208      15.447   2.179   0.416  1.00 84.92           C  
+ATOM   1637  N   LYS A 209       7.666   1.313   2.739  1.00 79.06           N  
+ATOM   1638  CA  LYS A 209       6.705   1.113   3.820  1.00 79.06           C  
+ATOM   1639  C   LYS A 209       5.671   0.054   3.448  1.00 79.06           C  
+ATOM   1640  CB  LYS A 209       6.006   2.428   4.168  1.00 79.06           C  
+ATOM   1641  O   LYS A 209       5.068  -0.568   4.326  1.00 79.06           O  
+ATOM   1642  CG  LYS A 209       6.912   3.454   4.832  1.00 79.06           C  
+ATOM   1643  CD  LYS A 209       6.145   4.714   5.212  1.00 79.06           C  
+ATOM   1644  CE  LYS A 209       7.060   5.759   5.838  1.00 79.06           C  
+ATOM   1645  NZ  LYS A 209       6.327   7.024   6.144  1.00 79.06           N  
+ATOM   1646  N   LYS A 210       5.563  -0.228   2.208  1.00 79.65           N  
+ATOM   1647  CA  LYS A 210       4.558  -1.165   1.714  1.00 79.65           C  
+ATOM   1648  C   LYS A 210       5.089  -2.596   1.721  1.00 79.65           C  
+ATOM   1649  CB  LYS A 210       4.112  -0.779   0.303  1.00 79.65           C  
+ATOM   1650  O   LYS A 210       4.318  -3.550   1.594  1.00 79.65           O  
+ATOM   1651  CG  LYS A 210       3.396   0.562   0.225  1.00 79.65           C  
+ATOM   1652  CD  LYS A 210       3.024   0.914  -1.210  1.00 79.65           C  
+ATOM   1653  CE  LYS A 210       2.401   2.300  -1.302  1.00 79.65           C  
+ATOM   1654  NZ  LYS A 210       2.120   2.688  -2.717  1.00 79.65           N  
+ATOM   1655  N   TRP A 211       6.460  -2.789   1.891  1.00 85.45           N  
+ATOM   1656  CA  TRP A 211       7.107  -4.096   1.846  1.00 85.45           C  
+ATOM   1657  C   TRP A 211       6.493  -5.043   2.872  1.00 85.45           C  
+ATOM   1658  CB  TRP A 211       8.612  -3.961   2.095  1.00 85.45           C  
+ATOM   1659  O   TRP A 211       6.302  -6.230   2.595  1.00 85.45           O  
+ATOM   1660  CG  TRP A 211       9.363  -3.335   0.958  1.00 85.45           C  
+ATOM   1661  CD1 TRP A 211       8.834  -2.663  -0.109  1.00 85.45           C  
+ATOM   1662  CD2 TRP A 211      10.781  -3.330   0.772  1.00 85.45           C  
+ATOM   1663  CE2 TRP A 211      11.043  -2.634  -0.429  1.00 85.45           C  
+ATOM   1664  CE3 TRP A 211      11.858  -3.845   1.506  1.00 85.45           C  
+ATOM   1665  NE1 TRP A 211       9.839  -2.239  -0.946  1.00 85.45           N  
+ATOM   1666  CH2 TRP A 211      13.374  -2.955  -0.176  1.00 85.45           C  
+ATOM   1667  CZ2 TRP A 211      12.339  -2.441  -0.913  1.00 85.45           C  
+ATOM   1668  CZ3 TRP A 211      13.147  -3.651   1.023  1.00 85.45           C  
+ATOM   1669  N   ILE A 212       6.151  -4.499   4.006  1.00 79.43           N  
+ATOM   1670  CA  ILE A 212       5.707  -5.307   5.137  1.00 79.43           C  
+ATOM   1671  C   ILE A 212       4.397  -6.010   4.786  1.00 79.43           C  
+ATOM   1672  CB  ILE A 212       5.531  -4.450   6.410  1.00 79.43           C  
+ATOM   1673  O   ILE A 212       4.065  -7.044   5.370  1.00 79.43           O  
+ATOM   1674  CG1 ILE A 212       5.302  -5.348   7.631  1.00 79.43           C  
+ATOM   1675  CG2 ILE A 212       4.378  -3.456   6.237  1.00 79.43           C  
+ATOM   1676  CD1 ILE A 212       5.490  -4.638   8.965  1.00 79.43           C  
+ATOM   1677  N   HIS A 213       3.721  -5.514   3.790  1.00 74.79           N  
+ATOM   1678  CA  HIS A 213       2.424  -6.063   3.412  1.00 74.79           C  
+ATOM   1679  C   HIS A 213       2.581  -7.369   2.640  1.00 74.79           C  
+ATOM   1680  CB  HIS A 213       1.637  -5.052   2.576  1.00 74.79           C  
+ATOM   1681  O   HIS A 213       1.622  -8.131   2.499  1.00 74.79           O  
+ATOM   1682  CG  HIS A 213       1.264  -3.813   3.328  1.00 74.79           C  
+ATOM   1683  CD2 HIS A 213       1.711  -2.540   3.220  1.00 74.79           C  
+ATOM   1684  ND1 HIS A 213       0.322  -3.809   4.334  1.00 74.79           N  
+ATOM   1685  CE1 HIS A 213       0.205  -2.581   4.813  1.00 74.79           C  
+ATOM   1686  NE2 HIS A 213       1.037  -1.793   4.154  1.00 74.79           N  
+ATOM   1687  N   CYS A 214       3.902  -7.619   2.251  1.00 82.21           N  
+ATOM   1688  CA  CYS A 214       4.119  -8.810   1.436  1.00 82.21           C  
+ATOM   1689  C   CYS A 214       4.948  -9.843   2.189  1.00 82.21           C  
+ATOM   1690  CB  CYS A 214       4.813  -8.442   0.125  1.00 82.21           C  
+ATOM   1691  O   CYS A 214       5.343 -10.862   1.621  1.00 82.21           O  
+ATOM   1692  SG  CYS A 214       3.892  -7.257  -0.880  1.00 82.21           S  
+ATOM   1693  N   PHE A 215       5.226  -9.633   3.513  1.00 82.22           N  
+ATOM   1694  CA  PHE A 215       6.172 -10.441   4.273  1.00 82.22           C  
+ATOM   1695  C   PHE A 215       5.528 -11.745   4.728  1.00 82.22           C  
+ATOM   1696  CB  PHE A 215       6.695  -9.662   5.484  1.00 82.22           C  
+ATOM   1697  O   PHE A 215       6.221 -12.735   4.970  1.00 82.22           O  
+ATOM   1698  CG  PHE A 215       7.798  -8.693   5.153  1.00 82.22           C  
+ATOM   1699  CD1 PHE A 215       8.107  -8.396   3.831  1.00 82.22           C  
+ATOM   1700  CD2 PHE A 215       8.526  -8.080   6.164  1.00 82.22           C  
+ATOM   1701  CE1 PHE A 215       9.128  -7.499   3.522  1.00 82.22           C  
+ATOM   1702  CE2 PHE A 215       9.547  -7.183   5.863  1.00 82.22           C  
+ATOM   1703  CZ  PHE A 215       9.847  -6.895   4.541  1.00 82.22           C  
+ATOM   1704  N   GLU A 216       4.203 -11.801   4.603  1.00 76.78           N  
+ATOM   1705  CA  GLU A 216       3.540 -12.984   5.141  1.00 76.78           C  
+ATOM   1706  C   GLU A 216       3.508 -14.113   4.114  1.00 76.78           C  
+ATOM   1707  CB  GLU A 216       2.117 -12.644   5.593  1.00 76.78           C  
+ATOM   1708  O   GLU A 216       3.123 -13.901   2.963  1.00 76.78           O  
+ATOM   1709  CG  GLU A 216       1.453 -13.743   6.411  1.00 76.78           C  
+ATOM   1710  CD  GLU A 216       0.068 -13.364   6.912  1.00 76.78           C  
+ATOM   1711  OE1 GLU A 216      -0.578 -14.191   7.594  1.00 76.78           O  
+ATOM   1712  OE2 GLU A 216      -0.375 -12.231   6.618  1.00 76.78           O  
+ATOM   1713  N   GLY A 217       3.905 -15.318   4.585  1.00 75.17           N  
+ATOM   1714  CA  GLY A 217       3.744 -16.546   3.822  1.00 75.17           C  
+ATOM   1715  C   GLY A 217       4.672 -16.630   2.625  1.00 75.17           C  
+ATOM   1716  O   GLY A 217       4.352 -17.281   1.629  1.00 75.17           O  
+ATOM   1717  N   VAL A 218       5.829 -15.811   2.711  1.00 86.41           N  
+ATOM   1718  CA  VAL A 218       6.812 -15.809   1.634  1.00 86.41           C  
+ATOM   1719  C   VAL A 218       7.663 -17.075   1.708  1.00 86.41           C  
+ATOM   1720  CB  VAL A 218       7.715 -14.557   1.692  1.00 86.41           C  
+ATOM   1721  O   VAL A 218       8.170 -17.428   2.776  1.00 86.41           O  
+ATOM   1722  CG1 VAL A 218       8.814 -14.633   0.633  1.00 86.41           C  
+ATOM   1723  CG2 VAL A 218       6.881 -13.290   1.510  1.00 86.41           C  
+ATOM   1724  N   THR A 219       7.754 -17.741   0.549  1.00 86.12           N  
+ATOM   1725  CA  THR A 219       8.531 -18.973   0.470  1.00 86.12           C  
+ATOM   1726  C   THR A 219      10.020 -18.664   0.333  1.00 86.12           C  
+ATOM   1727  CB  THR A 219       8.075 -19.847  -0.713  1.00 86.12           C  
+ATOM   1728  O   THR A 219      10.853 -19.300   0.981  1.00 86.12           O  
+ATOM   1729  CG2 THR A 219       8.803 -21.187  -0.720  1.00 86.12           C  
+ATOM   1730  OG1 THR A 219       6.665 -20.082  -0.609  1.00 86.12           O  
+ATOM   1731  N   ALA A 220      10.348 -17.671  -0.515  1.00 90.61           N  
+ATOM   1732  CA  ALA A 220      11.731 -17.256  -0.731  1.00 90.61           C  
+ATOM   1733  C   ALA A 220      11.808 -15.782  -1.118  1.00 90.61           C  
+ATOM   1734  CB  ALA A 220      12.384 -18.121  -1.807  1.00 90.61           C  
+ATOM   1735  O   ALA A 220      10.884 -15.247  -1.736  1.00 90.61           O  
+ATOM   1736  N   ILE A 221      12.965 -15.135  -0.672  1.00 93.13           N  
+ATOM   1737  CA  ILE A 221      13.244 -13.750  -1.034  1.00 93.13           C  
+ATOM   1738  C   ILE A 221      14.366 -13.702  -2.068  1.00 93.13           C  
+ATOM   1739  CB  ILE A 221      13.621 -12.907   0.205  1.00 93.13           C  
+ATOM   1740  O   ILE A 221      15.396 -14.362  -1.907  1.00 93.13           O  
+ATOM   1741  CG1 ILE A 221      12.437 -12.826   1.176  1.00 93.13           C  
+ATOM   1742  CG2 ILE A 221      14.083 -11.508  -0.214  1.00 93.13           C  
+ATOM   1743  CD1 ILE A 221      12.776 -12.178   2.512  1.00 93.13           C  
+ATOM   1744  N   ILE A 222      14.101 -13.024  -3.147  1.00 94.92           N  
+ATOM   1745  CA  ILE A 222      15.161 -12.680  -4.088  1.00 94.92           C  
+ATOM   1746  C   ILE A 222      15.571 -11.222  -3.892  1.00 94.92           C  
+ATOM   1747  CB  ILE A 222      14.720 -12.921  -5.549  1.00 94.92           C  
+ATOM   1748  O   ILE A 222      14.798 -10.308  -4.188  1.00 94.92           O  
+ATOM   1749  CG1 ILE A 222      14.328 -14.389  -5.753  1.00 94.92           C  
+ATOM   1750  CG2 ILE A 222      15.828 -12.509  -6.523  1.00 94.92           C  
+ATOM   1751  CD1 ILE A 222      13.730 -14.685  -7.122  1.00 94.92           C  
+ATOM   1752  N   PHE A 223      16.725 -11.054  -3.302  1.00 96.58           N  
+ATOM   1753  CA  PHE A 223      17.222  -9.700  -3.088  1.00 96.58           C  
+ATOM   1754  C   PHE A 223      18.161  -9.283  -4.213  1.00 96.58           C  
+ATOM   1755  CB  PHE A 223      17.941  -9.597  -1.739  1.00 96.58           C  
+ATOM   1756  O   PHE A 223      19.216  -9.890  -4.405  1.00 96.58           O  
+ATOM   1757  CG  PHE A 223      18.199  -8.183  -1.294  1.00 96.58           C  
+ATOM   1758  CD1 PHE A 223      19.329  -7.499  -1.725  1.00 96.58           C  
+ATOM   1759  CD2 PHE A 223      17.310  -7.537  -0.445  1.00 96.58           C  
+ATOM   1760  CE1 PHE A 223      19.570  -6.190  -1.315  1.00 96.58           C  
+ATOM   1761  CE2 PHE A 223      17.544  -6.229  -0.031  1.00 96.58           C  
+ATOM   1762  CZ  PHE A 223      18.675  -5.557  -0.467  1.00 96.58           C  
+ATOM   1763  N   CYS A 224      17.781  -8.244  -4.960  1.00 96.78           N  
+ATOM   1764  CA  CYS A 224      18.531  -7.817  -6.136  1.00 96.78           C  
+ATOM   1765  C   CYS A 224      19.454  -6.652  -5.799  1.00 96.78           C  
+ATOM   1766  CB  CYS A 224      17.579  -7.416  -7.262  1.00 96.78           C  
+ATOM   1767  O   CYS A 224      19.013  -5.646  -5.240  1.00 96.78           O  
+ATOM   1768  SG  CYS A 224      16.589  -8.785  -7.901  1.00 96.78           S  
+ATOM   1769  N   VAL A 225      20.715  -6.772  -6.187  1.00 97.58           N  
+ATOM   1770  CA  VAL A 225      21.731  -5.742  -5.992  1.00 97.58           C  
+ATOM   1771  C   VAL A 225      22.322  -5.337  -7.340  1.00 97.58           C  
+ATOM   1772  CB  VAL A 225      22.850  -6.222  -5.041  1.00 97.58           C  
+ATOM   1773  O   VAL A 225      22.727  -6.194  -8.129  1.00 97.58           O  
+ATOM   1774  CG1 VAL A 225      23.921  -5.144  -4.880  1.00 97.58           C  
+ATOM   1775  CG2 VAL A 225      22.267  -6.607  -3.682  1.00 97.58           C  
+ATOM   1776  N   ALA A 226      22.287  -4.037  -7.628  1.00 96.55           N  
+ATOM   1777  CA  ALA A 226      22.933  -3.544  -8.841  1.00 96.55           C  
+ATOM   1778  C   ALA A 226      24.427  -3.324  -8.618  1.00 96.55           C  
+ATOM   1779  CB  ALA A 226      22.273  -2.249  -9.307  1.00 96.55           C  
+ATOM   1780  O   ALA A 226      24.825  -2.402  -7.902  1.00 96.55           O  
+ATOM   1781  N   LEU A 227      25.269  -4.124  -9.273  1.00 97.00           N  
+ATOM   1782  CA  LEU A 227      26.717  -4.038  -9.121  1.00 97.00           C  
+ATOM   1783  C   LEU A 227      27.246  -2.721  -9.680  1.00 97.00           C  
+ATOM   1784  CB  LEU A 227      27.401  -5.215  -9.823  1.00 97.00           C  
+ATOM   1785  O   LEU A 227      28.241  -2.187  -9.185  1.00 97.00           O  
+ATOM   1786  CG  LEU A 227      27.312  -6.569  -9.118  1.00 97.00           C  
+ATOM   1787  CD1 LEU A 227      27.844  -7.674 -10.024  1.00 97.00           C  
+ATOM   1788  CD2 LEU A 227      28.077  -6.537  -7.799  1.00 97.00           C  
+ATOM   1789  N   SER A 228      26.587  -2.183 -10.635  1.00 94.98           N  
+ATOM   1790  CA  SER A 228      27.017  -0.987 -11.351  1.00 94.98           C  
+ATOM   1791  C   SER A 228      26.774   0.271 -10.524  1.00 94.98           C  
+ATOM   1792  CB  SER A 228      26.290  -0.873 -12.692  1.00 94.98           C  
+ATOM   1793  O   SER A 228      27.285   1.344 -10.851  1.00 94.98           O  
+ATOM   1794  OG  SER A 228      24.888  -0.803 -12.499  1.00 94.98           O  
+ATOM   1795  N   ASP A 229      26.152   0.224  -9.310  1.00 94.49           N  
+ATOM   1796  CA  ASP A 229      25.741   1.371  -8.506  1.00 94.49           C  
+ATOM   1797  C   ASP A 229      26.860   1.812  -7.565  1.00 94.49           C  
+ATOM   1798  CB  ASP A 229      24.480   1.040  -7.705  1.00 94.49           C  
+ATOM   1799  O   ASP A 229      26.723   2.811  -6.855  1.00 94.49           O  
+ATOM   1800  CG  ASP A 229      23.209   1.142  -8.531  1.00 94.49           C  
+ATOM   1801  OD1 ASP A 229      23.276   1.574  -9.702  1.00 94.49           O  
+ATOM   1802  OD2 ASP A 229      22.131   0.791  -8.004  1.00 94.49           O  
+ATOM   1803  N   TYR A 230      27.987   1.139  -7.562  1.00 95.12           N  
+ATOM   1804  CA  TYR A 230      29.028   1.355  -6.564  1.00 95.12           C  
+ATOM   1805  C   TYR A 230      29.587   2.770  -6.655  1.00 95.12           C  
+ATOM   1806  CB  TYR A 230      30.158   0.335  -6.736  1.00 95.12           C  
+ATOM   1807  O   TYR A 230      30.125   3.296  -5.678  1.00 95.12           O  
+ATOM   1808  CG  TYR A 230      31.018   0.582  -7.952  1.00 95.12           C  
+ATOM   1809  CD1 TYR A 230      30.694   0.019  -9.184  1.00 95.12           C  
+ATOM   1810  CD2 TYR A 230      32.156   1.377  -7.871  1.00 95.12           C  
+ATOM   1811  CE1 TYR A 230      31.484   0.242 -10.307  1.00 95.12           C  
+ATOM   1812  CE2 TYR A 230      32.954   1.606  -8.987  1.00 95.12           C  
+ATOM   1813  OH  TYR A 230      33.397   1.260 -11.307  1.00 95.12           O  
+ATOM   1814  CZ  TYR A 230      32.610   1.036 -10.199  1.00 95.12           C  
+ATOM   1815  N   ASP A 231      29.491   3.419  -7.764  1.00 93.70           N  
+ATOM   1816  CA  ASP A 231      30.072   4.746  -7.939  1.00 93.70           C  
+ATOM   1817  C   ASP A 231      28.986   5.800  -8.140  1.00 93.70           C  
+ATOM   1818  CB  ASP A 231      31.040   4.756  -9.124  1.00 93.70           C  
+ATOM   1819  O   ASP A 231      29.248   6.872  -8.688  1.00 93.70           O  
+ATOM   1820  CG  ASP A 231      30.362   4.443 -10.446  1.00 93.70           C  
+ATOM   1821  OD1 ASP A 231      29.181   4.033 -10.444  1.00 93.70           O  
+ATOM   1822  OD2 ASP A 231      31.015   4.604 -11.500  1.00 93.70           O  
+ATOM   1823  N   LEU A 232      27.725   5.507  -7.694  1.00 93.44           N  
+ATOM   1824  CA  LEU A 232      26.598   6.422  -7.840  1.00 93.44           C  
+ATOM   1825  C   LEU A 232      26.028   6.804  -6.478  1.00 93.44           C  
+ATOM   1826  CB  LEU A 232      25.504   5.791  -8.705  1.00 93.44           C  
+ATOM   1827  O   LEU A 232      26.108   6.025  -5.526  1.00 93.44           O  
+ATOM   1828  CG  LEU A 232      25.868   5.514 -10.164  1.00 93.44           C  
+ATOM   1829  CD1 LEU A 232      24.782   4.677 -10.832  1.00 93.44           C  
+ATOM   1830  CD2 LEU A 232      26.085   6.821 -10.919  1.00 93.44           C  
+ATOM   1831  N   VAL A 233      25.394   7.979  -6.439  1.00 92.19           N  
+ATOM   1832  CA  VAL A 233      24.668   8.408  -5.249  1.00 92.19           C  
+ATOM   1833  C   VAL A 233      23.165   8.324  -5.502  1.00 92.19           C  
+ATOM   1834  CB  VAL A 233      25.059   9.844  -4.832  1.00 92.19           C  
+ATOM   1835  O   VAL A 233      22.725   8.266  -6.653  1.00 92.19           O  
+ATOM   1836  CG1 VAL A 233      26.533   9.909  -4.435  1.00 92.19           C  
+ATOM   1837  CG2 VAL A 233      24.763  10.827  -5.964  1.00 92.19           C  
+ATOM   1838  N   LEU A 234      22.351   8.304  -4.458  1.00 87.30           N  
+ATOM   1839  CA  LEU A 234      20.898   8.234  -4.568  1.00 87.30           C  
+ATOM   1840  C   LEU A 234      20.336   9.520  -5.165  1.00 87.30           C  
+ATOM   1841  CB  LEU A 234      20.267   7.976  -3.198  1.00 87.30           C  
+ATOM   1842  O   LEU A 234      20.828  10.612  -4.873  1.00 87.30           O  
+ATOM   1843  CG  LEU A 234      20.517   6.596  -2.586  1.00 87.30           C  
+ATOM   1844  CD1 LEU A 234      19.973   6.542  -1.162  1.00 87.30           C  
+ATOM   1845  CD2 LEU A 234      19.885   5.507  -3.447  1.00 87.30           C  
+ATOM   1846  N   ALA A 235      19.313   9.359  -5.999  1.00 84.65           N  
+ATOM   1847  CA  ALA A 235      18.644  10.537  -6.546  1.00 84.65           C  
+ATOM   1848  C   ALA A 235      18.004  11.368  -5.438  1.00 84.65           C  
+ATOM   1849  CB  ALA A 235      17.591  10.123  -7.572  1.00 84.65           C  
+ATOM   1850  O   ALA A 235      18.016  12.600  -5.492  1.00 84.65           O  
+ATOM   1851  N   GLU A 236      17.542  10.655  -4.328  1.00 82.14           N  
+ATOM   1852  CA  GLU A 236      16.798  11.235  -3.214  1.00 82.14           C  
+ATOM   1853  C   GLU A 236      17.740  11.832  -2.172  1.00 82.14           C  
+ATOM   1854  CB  GLU A 236      15.894  10.183  -2.566  1.00 82.14           C  
+ATOM   1855  O   GLU A 236      17.326  12.656  -1.354  1.00 82.14           O  
+ATOM   1856  CG  GLU A 236      14.913   9.535  -3.532  1.00 82.14           C  
+ATOM   1857  CD  GLU A 236      15.416   8.221  -4.106  1.00 82.14           C  
+ATOM   1858  OE1 GLU A 236      14.618   7.488  -4.734  1.00 82.14           O  
+ATOM   1859  OE2 GLU A 236      16.617   7.921  -3.927  1.00 82.14           O  
+ATOM   1860  N   ASP A 237      18.972  11.314  -2.173  1.00 85.32           N  
+ATOM   1861  CA  ASP A 237      19.973  11.723  -1.192  1.00 85.32           C  
+ATOM   1862  C   ASP A 237      21.373  11.724  -1.803  1.00 85.32           C  
+ATOM   1863  CB  ASP A 237      19.934  10.805   0.031  1.00 85.32           C  
+ATOM   1864  O   ASP A 237      22.000  10.671  -1.932  1.00 85.32           O  
+ATOM   1865  CG  ASP A 237      20.848  11.269   1.151  1.00 85.32           C  
+ATOM   1866  OD1 ASP A 237      21.597  12.251   0.959  1.00 85.32           O  
+ATOM   1867  OD2 ASP A 237      20.821  10.645   2.234  1.00 85.32           O  
+ATOM   1868  N   GLU A 238      21.950  12.870  -2.160  1.00 86.09           N  
+ATOM   1869  CA  GLU A 238      23.212  13.019  -2.878  1.00 86.09           C  
+ATOM   1870  C   GLU A 238      24.402  12.717  -1.972  1.00 86.09           C  
+ATOM   1871  CB  GLU A 238      23.337  14.431  -3.457  1.00 86.09           C  
+ATOM   1872  O   GLU A 238      25.542  12.658  -2.435  1.00 86.09           O  
+ATOM   1873  CG  GLU A 238      22.369  14.717  -4.596  1.00 86.09           C  
+ATOM   1874  CD  GLU A 238      22.536  16.106  -5.191  1.00 86.09           C  
+ATOM   1875  OE1 GLU A 238      21.831  16.435  -6.172  1.00 86.09           O  
+ATOM   1876  OE2 GLU A 238      23.378  16.872  -4.671  1.00 86.09           O  
+ATOM   1877  N   GLU A 239      24.176  12.397  -0.722  1.00 88.69           N  
+ATOM   1878  CA  GLU A 239      25.233  12.110   0.244  1.00 88.69           C  
+ATOM   1879  C   GLU A 239      25.368  10.609   0.484  1.00 88.69           C  
+ATOM   1880  CB  GLU A 239      24.963  12.832   1.566  1.00 88.69           C  
+ATOM   1881  O   GLU A 239      26.336  10.158   1.099  1.00 88.69           O  
+ATOM   1882  CG  GLU A 239      25.035  14.349   1.465  1.00 88.69           C  
+ATOM   1883  CD  GLU A 239      24.901  15.047   2.808  1.00 88.69           C  
+ATOM   1884  OE1 GLU A 239      25.195  16.261   2.893  1.00 88.69           O  
+ATOM   1885  OE2 GLU A 239      24.498  14.375   3.784  1.00 88.69           O  
+ATOM   1886  N   MET A 240      24.351   9.892   0.021  1.00 91.01           N  
+ATOM   1887  CA  MET A 240      24.330   8.451   0.256  1.00 91.01           C  
+ATOM   1888  C   MET A 240      24.699   7.687  -1.010  1.00 91.01           C  
+ATOM   1889  CB  MET A 240      22.952   8.007   0.752  1.00 91.01           C  
+ATOM   1890  O   MET A 240      24.048   7.839  -2.045  1.00 91.01           O  
+ATOM   1891  CG  MET A 240      22.851   6.516   1.027  1.00 91.01           C  
+ATOM   1892  SD  MET A 240      23.857   5.998   2.472  1.00 91.01           S  
+ATOM   1893  CE  MET A 240      22.796   6.579   3.825  1.00 91.01           C  
+ATOM   1894  N   ASN A 241      25.765   6.816  -0.939  1.00 94.21           N  
+ATOM   1895  CA  ASN A 241      26.134   5.917  -2.027  1.00 94.21           C  
+ATOM   1896  C   ASN A 241      25.097   4.815  -2.220  1.00 94.21           C  
+ATOM   1897  CB  ASN A 241      27.516   5.309  -1.776  1.00 94.21           C  
+ATOM   1898  O   ASN A 241      24.591   4.256  -1.246  1.00 94.21           O  
+ATOM   1899  CG  ASN A 241      27.946   4.360  -2.877  1.00 94.21           C  
+ATOM   1900  ND2 ASN A 241      28.666   4.884  -3.862  1.00 94.21           N  
+ATOM   1901  OD1 ASN A 241      27.632   3.168  -2.844  1.00 94.21           O  
+ATOM   1902  N   ARG A 242      24.695   4.530  -3.426  1.00 94.02           N  
+ATOM   1903  CA  ARG A 242      23.628   3.591  -3.756  1.00 94.02           C  
+ATOM   1904  C   ARG A 242      23.977   2.180  -3.296  1.00 94.02           C  
+ATOM   1905  CB  ARG A 242      23.352   3.598  -5.261  1.00 94.02           C  
+ATOM   1906  O   ARG A 242      23.103   1.430  -2.857  1.00 94.02           O  
+ATOM   1907  CG  ARG A 242      22.641   4.850  -5.752  1.00 94.02           C  
+ATOM   1908  CD  ARG A 242      22.159   4.699  -7.188  1.00 94.02           C  
+ATOM   1909  NE  ARG A 242      21.444   5.887  -7.644  1.00 94.02           N  
+ATOM   1910  NH1 ARG A 242      20.579   4.892  -9.541  1.00 94.02           N  
+ATOM   1911  NH2 ARG A 242      20.102   7.085  -9.072  1.00 94.02           N  
+ATOM   1912  CZ  ARG A 242      20.710   5.952  -8.751  1.00 94.02           C  
+ATOM   1913  N   MET A 243      25.291   1.737  -3.428  1.00 96.01           N  
+ATOM   1914  CA  MET A 243      25.731   0.421  -2.972  1.00 96.01           C  
+ATOM   1915  C   MET A 243      25.627   0.308  -1.455  1.00 96.01           C  
+ATOM   1916  CB  MET A 243      27.169   0.150  -3.419  1.00 96.01           C  
+ATOM   1917  O   MET A 243      25.182  -0.716  -0.934  1.00 96.01           O  
+ATOM   1918  CG  MET A 243      27.697  -1.210  -2.992  1.00 96.01           C  
+ATOM   1919  SD  MET A 243      26.735  -2.596  -3.712  1.00 96.01           S  
+ATOM   1920  CE  MET A 243      27.297  -2.515  -5.435  1.00 96.01           C  
+ATOM   1921  N   HIS A 244      25.986   1.285  -0.710  1.00 95.53           N  
+ATOM   1922  CA  HIS A 244      25.870   1.291   0.744  1.00 95.53           C  
+ATOM   1923  C   HIS A 244      24.410   1.243   1.181  1.00 95.53           C  
+ATOM   1924  CB  HIS A 244      26.554   2.527   1.332  1.00 95.53           C  
+ATOM   1925  O   HIS A 244      24.071   0.570   2.157  1.00 95.53           O  
+ATOM   1926  CG  HIS A 244      28.047   2.458   1.300  1.00 95.53           C  
+ATOM   1927  CD2 HIS A 244      28.896   1.438   1.569  1.00 95.53           C  
+ATOM   1928  ND1 HIS A 244      28.835   3.537   0.962  1.00 95.53           N  
+ATOM   1929  CE1 HIS A 244      30.108   3.182   1.023  1.00 95.53           C  
+ATOM   1930  NE2 HIS A 244      30.172   1.913   1.389  1.00 95.53           N  
+ATOM   1931  N   GLU A 245      23.613   2.037   0.497  1.00 94.18           N  
+ATOM   1932  CA  GLU A 245      22.179   1.967   0.760  1.00 94.18           C  
+ATOM   1933  C   GLU A 245      21.656   0.544   0.587  1.00 94.18           C  
+ATOM   1934  CB  GLU A 245      21.416   2.923  -0.159  1.00 94.18           C  
+ATOM   1935  O   GLU A 245      20.876   0.059   1.410  1.00 94.18           O  
+ATOM   1936  CG  GLU A 245      19.905   2.878   0.024  1.00 94.18           C  
+ATOM   1937  CD  GLU A 245      19.444   3.460   1.351  1.00 94.18           C  
+ATOM   1938  OE1 GLU A 245      18.230   3.399   1.651  1.00 94.18           O  
+ATOM   1939  OE2 GLU A 245      20.303   3.982   2.096  1.00 94.18           O  
+ATOM   1940  N   SER A 246      21.988  -0.057  -0.483  1.00 96.43           N  
+ATOM   1941  CA  SER A 246      21.589  -1.433  -0.760  1.00 96.43           C  
+ATOM   1942  C   SER A 246      22.054  -2.376   0.345  1.00 96.43           C  
+ATOM   1943  CB  SER A 246      22.151  -1.895  -2.105  1.00 96.43           C  
+ATOM   1944  O   SER A 246      21.311  -3.268   0.760  1.00 96.43           O  
+ATOM   1945  OG  SER A 246      21.678  -3.190  -2.431  1.00 96.43           O  
+ATOM   1946  N   MET A 247      23.218  -2.184   0.860  1.00 96.81           N  
+ATOM   1947  CA  MET A 247      23.752  -2.993   1.952  1.00 96.81           C  
+ATOM   1948  C   MET A 247      22.927  -2.805   3.222  1.00 96.81           C  
+ATOM   1949  CB  MET A 247      25.215  -2.636   2.221  1.00 96.81           C  
+ATOM   1950  O   MET A 247      22.627  -3.774   3.921  1.00 96.81           O  
+ATOM   1951  CG  MET A 247      26.170  -3.106   1.136  1.00 96.81           C  
+ATOM   1952  SD  MET A 247      27.905  -2.606   1.461  1.00 96.81           S  
+ATOM   1953  CE  MET A 247      28.281  -3.664   2.886  1.00 96.81           C  
+ATOM   1954  N   LYS A 248      22.652  -1.530   3.553  1.00 94.93           N  
+ATOM   1955  CA  LYS A 248      21.815  -1.249   4.716  1.00 94.93           C  
+ATOM   1956  C   LYS A 248      20.463  -1.948   4.602  1.00 94.93           C  
+ATOM   1957  CB  LYS A 248      21.613   0.258   4.880  1.00 94.93           C  
+ATOM   1958  O   LYS A 248      19.975  -2.528   5.575  1.00 94.93           O  
+ATOM   1959  CG  LYS A 248      22.845   0.996   5.382  1.00 94.93           C  
+ATOM   1960  CD  LYS A 248      22.562   2.478   5.592  1.00 94.93           C  
+ATOM   1961  CE  LYS A 248      23.809   3.229   6.039  1.00 94.93           C  
+ATOM   1962  NZ  LYS A 248      23.561   4.698   6.151  1.00 94.93           N  
+ATOM   1963  N   LEU A 249      19.971  -1.916   3.418  1.00 94.12           N  
+ATOM   1964  CA  LEU A 249      18.683  -2.552   3.166  1.00 94.12           C  
+ATOM   1965  C   LEU A 249      18.782  -4.065   3.333  1.00 94.12           C  
+ATOM   1966  CB  LEU A 249      18.183  -2.214   1.759  1.00 94.12           C  
+ATOM   1967  O   LEU A 249      17.935  -4.679   3.985  1.00 94.12           O  
+ATOM   1968  CG  LEU A 249      17.626  -0.804   1.559  1.00 94.12           C  
+ATOM   1969  CD1 LEU A 249      17.496  -0.491   0.072  1.00 94.12           C  
+ATOM   1970  CD2 LEU A 249      16.280  -0.655   2.261  1.00 94.12           C  
+ATOM   1971  N   PHE A 250      19.721  -4.599   2.721  1.00 96.35           N  
+ATOM   1972  CA  PHE A 250      19.932  -6.039   2.815  1.00 96.35           C  
+ATOM   1973  C   PHE A 250      20.121  -6.464   4.266  1.00 96.35           C  
+ATOM   1974  CB  PHE A 250      21.146  -6.461   1.981  1.00 96.35           C  
+ATOM   1975  O   PHE A 250      19.584  -7.488   4.693  1.00 96.35           O  
+ATOM   1976  CG  PHE A 250      21.393  -7.946   1.977  1.00 96.35           C  
+ATOM   1977  CD1 PHE A 250      22.483  -8.486   2.648  1.00 96.35           C  
+ATOM   1978  CD2 PHE A 250      20.533  -8.802   1.301  1.00 96.35           C  
+ATOM   1979  CE1 PHE A 250      22.713  -9.859   2.645  1.00 96.35           C  
+ATOM   1980  CE2 PHE A 250      20.757 -10.175   1.293  1.00 96.35           C  
+ATOM   1981  CZ  PHE A 250      21.848 -10.702   1.965  1.00 96.35           C  
+ATOM   1982  N   ASP A 251      20.924  -5.758   5.033  1.00 95.89           N  
+ATOM   1983  CA  ASP A 251      21.143  -6.035   6.450  1.00 95.89           C  
+ATOM   1984  C   ASP A 251      19.819  -6.089   7.209  1.00 95.89           C  
+ATOM   1985  CB  ASP A 251      22.060  -4.978   7.068  1.00 95.89           C  
+ATOM   1986  O   ASP A 251      19.600  -6.990   8.021  1.00 95.89           O  
+ATOM   1987  CG  ASP A 251      22.426  -5.280   8.510  1.00 95.89           C  
+ATOM   1988  OD1 ASP A 251      22.787  -6.436   8.818  1.00 95.89           O  
+ATOM   1989  OD2 ASP A 251      22.349  -4.354   9.347  1.00 95.89           O  
+ATOM   1990  N   SER A 252      18.890  -5.226   6.959  1.00 92.76           N  
+ATOM   1991  CA  SER A 252      17.590  -5.147   7.617  1.00 92.76           C  
+ATOM   1992  C   SER A 252      16.697  -6.317   7.220  1.00 92.76           C  
+ATOM   1993  CB  SER A 252      16.897  -3.827   7.277  1.00 92.76           C  
+ATOM   1994  O   SER A 252      15.921  -6.818   8.037  1.00 92.76           O  
+ATOM   1995  OG  SER A 252      16.452  -3.825   5.932  1.00 92.76           O  
+ATOM   1996  N   ILE A 253      16.829  -6.806   6.012  1.00 92.21           N  
+ATOM   1997  CA  ILE A 253      15.959  -7.854   5.489  1.00 92.21           C  
+ATOM   1998  C   ILE A 253      16.473  -9.221   5.935  1.00 92.21           C  
+ATOM   1999  CB  ILE A 253      15.866  -7.794   3.948  1.00 92.21           C  
+ATOM   2000  O   ILE A 253      15.710 -10.037   6.459  1.00 92.21           O  
+ATOM   2001  CG1 ILE A 253      15.192  -6.490   3.504  1.00 92.21           C  
+ATOM   2002  CG2 ILE A 253      15.113  -9.012   3.404  1.00 92.21           C  
+ATOM   2003  CD1 ILE A 253      13.755  -6.341   3.985  1.00 92.21           C  
+ATOM   2004  N   CYS A 254      17.711  -9.404   5.689  1.00 92.49           N  
+ATOM   2005  CA  CYS A 254      18.283 -10.722   5.941  1.00 92.49           C  
+ATOM   2006  C   CYS A 254      18.246 -11.057   7.428  1.00 92.49           C  
+ATOM   2007  CB  CYS A 254      19.722 -10.789   5.430  1.00 92.49           C  
+ATOM   2008  O   CYS A 254      18.231 -12.230   7.804  1.00 92.49           O  
+ATOM   2009  SG  CYS A 254      20.876  -9.763   6.365  1.00 92.49           S  
+ATOM   2010  N   ASN A 255      18.199 -10.072   8.256  1.00 91.60           N  
+ATOM   2011  CA  ASN A 255      18.226 -10.292   9.698  1.00 91.60           C  
+ATOM   2012  C   ASN A 255      16.867 -10.009  10.334  1.00 91.60           C  
+ATOM   2013  CB  ASN A 255      19.308  -9.431  10.353  1.00 91.60           C  
+ATOM   2014  O   ASN A 255      16.740 -10.005  11.560  1.00 91.60           O  
+ATOM   2015  CG  ASN A 255      20.705  -9.801   9.895  1.00 91.60           C  
+ATOM   2016  ND2 ASN A 255      21.447  -8.817   9.400  1.00 91.60           N  
+ATOM   2017  OD1 ASN A 255      21.114 -10.962   9.983  1.00 91.60           O  
+ATOM   2018  N   ASN A 256      15.850  -9.834   9.547  1.00 88.80           N  
+ATOM   2019  CA  ASN A 256      14.493  -9.562  10.009  1.00 88.80           C  
+ATOM   2020  C   ASN A 256      13.836 -10.813  10.587  1.00 88.80           C  
+ATOM   2021  CB  ASN A 256      13.642  -8.993   8.871  1.00 88.80           C  
+ATOM   2022  O   ASN A 256      13.942 -11.897  10.011  1.00 88.80           O  
+ATOM   2023  CG  ASN A 256      12.321  -8.428   9.356  1.00 88.80           C  
+ATOM   2024  ND2 ASN A 256      12.069  -7.161   9.047  1.00 88.80           N  
+ATOM   2025  OD1 ASN A 256      11.534  -9.124  10.003  1.00 88.80           O  
+ATOM   2026  N   LYS A 257      13.023 -10.656  11.700  1.00 86.83           N  
+ATOM   2027  CA  LYS A 257      12.421 -11.771  12.426  1.00 86.83           C  
+ATOM   2028  C   LYS A 257      11.367 -12.476  11.577  1.00 86.83           C  
+ATOM   2029  CB  LYS A 257      11.799 -11.285  13.736  1.00 86.83           C  
+ATOM   2030  O   LYS A 257      11.101 -13.664  11.769  1.00 86.83           O  
+ATOM   2031  CG  LYS A 257      12.814 -10.803  14.762  1.00 86.83           C  
+ATOM   2032  CD  LYS A 257      12.137 -10.348  16.048  1.00 86.83           C  
+ATOM   2033  CE  LYS A 257      13.149  -9.839  17.065  1.00 86.83           C  
+ATOM   2034  NZ  LYS A 257      12.497  -9.459  18.354  1.00 86.83           N  
+ATOM   2035  N   TRP A 258      10.741 -11.647  10.601  1.00 84.00           N  
+ATOM   2036  CA  TRP A 258       9.702 -12.212   9.747  1.00 84.00           C  
+ATOM   2037  C   TRP A 258      10.288 -13.231   8.776  1.00 84.00           C  
+ATOM   2038  CB  TRP A 258       8.983 -11.104   8.971  1.00 84.00           C  
+ATOM   2039  O   TRP A 258       9.569 -14.087   8.256  1.00 84.00           O  
+ATOM   2040  CG  TRP A 258       7.953 -10.368   9.774  1.00 84.00           C  
+ATOM   2041  CD1 TRP A 258       6.781 -10.869  10.268  1.00 84.00           C  
+ATOM   2042  CD2 TRP A 258       8.002  -8.994  10.172  1.00 84.00           C  
+ATOM   2043  CE2 TRP A 258       6.824  -8.730  10.906  1.00 84.00           C  
+ATOM   2044  CE3 TRP A 258       8.928  -7.960   9.979  1.00 84.00           C  
+ATOM   2045  NE1 TRP A 258       6.097  -9.889  10.950  1.00 84.00           N  
+ATOM   2046  CH2 TRP A 258       7.472  -6.479  11.245  1.00 84.00           C  
+ATOM   2047  CZ2 TRP A 258       6.549  -7.472  11.449  1.00 84.00           C  
+ATOM   2048  CZ3 TRP A 258       8.652  -6.710  10.520  1.00 84.00           C  
+ATOM   2049  N   PHE A 259      11.696 -13.263   8.551  1.00 87.45           N  
+ATOM   2050  CA  PHE A 259      12.301 -14.073   7.501  1.00 87.45           C  
+ATOM   2051  C   PHE A 259      13.252 -15.106   8.094  1.00 87.45           C  
+ATOM   2052  CB  PHE A 259      13.048 -13.187   6.499  1.00 87.45           C  
+ATOM   2053  O   PHE A 259      14.212 -15.522   7.442  1.00 87.45           O  
+ATOM   2054  CG  PHE A 259      12.170 -12.178   5.809  1.00 87.45           C  
+ATOM   2055  CD1 PHE A 259      10.990 -12.572   5.190  1.00 87.45           C  
+ATOM   2056  CD2 PHE A 259      12.526 -10.836   5.778  1.00 87.45           C  
+ATOM   2057  CE1 PHE A 259      10.175 -11.640   4.550  1.00 87.45           C  
+ATOM   2058  CE2 PHE A 259      11.717  -9.900   5.140  1.00 87.45           C  
+ATOM   2059  CZ  PHE A 259      10.543 -10.304   4.526  1.00 87.45           C  
+ATOM   2060  N   THR A 260      12.958 -15.414   9.344  1.00 84.17           N  
+ATOM   2061  CA  THR A 260      13.847 -16.344  10.032  1.00 84.17           C  
+ATOM   2062  C   THR A 260      13.907 -17.680   9.296  1.00 84.17           C  
+ATOM   2063  CB  THR A 260      13.397 -16.576  11.486  1.00 84.17           C  
+ATOM   2064  O   THR A 260      14.984 -18.255   9.129  1.00 84.17           O  
+ATOM   2065  CG2 THR A 260      14.371 -17.488  12.225  1.00 84.17           C  
+ATOM   2066  OG1 THR A 260      13.329 -15.317  12.166  1.00 84.17           O  
+ATOM   2067  N   ASP A 261      12.764 -18.122   8.777  1.00 81.78           N  
+ATOM   2068  CA  ASP A 261      12.680 -19.432   8.140  1.00 81.78           C  
+ATOM   2069  C   ASP A 261      12.526 -19.299   6.627  1.00 81.78           C  
+ATOM   2070  CB  ASP A 261      11.514 -20.237   8.719  1.00 81.78           C  
+ATOM   2071  O   ASP A 261      12.221 -20.276   5.940  1.00 81.78           O  
+ATOM   2072  CG  ASP A 261      11.695 -20.568  10.190  1.00 81.78           C  
+ATOM   2073  OD1 ASP A 261      12.833 -20.867  10.613  1.00 81.78           O  
+ATOM   2074  OD2 ASP A 261      10.690 -20.532  10.932  1.00 81.78           O  
+ATOM   2075  N   THR A 262      12.765 -18.044   6.128  1.00 87.01           N  
+ATOM   2076  CA  THR A 262      12.592 -17.782   4.704  1.00 87.01           C  
+ATOM   2077  C   THR A 262      13.922 -17.908   3.966  1.00 87.01           C  
+ATOM   2078  CB  THR A 262      11.998 -16.382   4.461  1.00 87.01           C  
+ATOM   2079  O   THR A 262      14.948 -17.411   4.435  1.00 87.01           O  
+ATOM   2080  CG2 THR A 262      11.727 -16.150   2.978  1.00 87.01           C  
+ATOM   2081  OG1 THR A 262      10.768 -16.259   5.186  1.00 87.01           O  
+ATOM   2082  N   SER A 263      13.971 -18.620   2.798  1.00 88.56           N  
+ATOM   2083  CA  SER A 263      15.167 -18.718   1.967  1.00 88.56           C  
+ATOM   2084  C   SER A 263      15.484 -17.385   1.297  1.00 88.56           C  
+ATOM   2085  CB  SER A 263      14.993 -19.803   0.904  1.00 88.56           C  
+ATOM   2086  O   SER A 263      14.588 -16.716   0.778  1.00 88.56           O  
+ATOM   2087  OG  SER A 263      14.812 -21.073   1.506  1.00 88.56           O  
+ATOM   2088  N   ILE A 264      16.784 -17.015   1.361  1.00 92.24           N  
+ATOM   2089  CA  ILE A 264      17.187 -15.742   0.774  1.00 92.24           C  
+ATOM   2090  C   ILE A 264      18.171 -15.989  -0.368  1.00 92.24           C  
+ATOM   2091  CB  ILE A 264      17.817 -14.807   1.830  1.00 92.24           C  
+ATOM   2092  O   ILE A 264      19.184 -16.669  -0.188  1.00 92.24           O  
+ATOM   2093  CG1 ILE A 264      16.796 -14.473   2.924  1.00 92.24           C  
+ATOM   2094  CG2 ILE A 264      18.352 -13.532   1.172  1.00 92.24           C  
+ATOM   2095  CD1 ILE A 264      17.337 -13.563   4.019  1.00 92.24           C  
+ATOM   2096  N   ILE A 265      17.815 -15.499  -1.532  1.00 94.46           N  
+ATOM   2097  CA  ILE A 265      18.652 -15.556  -2.726  1.00 94.46           C  
+ATOM   2098  C   ILE A 265      19.169 -14.159  -3.061  1.00 94.46           C  
+ATOM   2099  CB  ILE A 265      17.882 -16.146  -3.929  1.00 94.46           C  
+ATOM   2100  O   ILE A 265      18.390 -13.208  -3.154  1.00 94.46           O  
+ATOM   2101  CG1 ILE A 265      17.389 -17.561  -3.606  1.00 94.46           C  
+ATOM   2102  CG2 ILE A 265      18.759 -16.144  -5.184  1.00 94.46           C  
+ATOM   2103  CD1 ILE A 265      16.120 -17.959  -4.346  1.00 94.46           C  
+ATOM   2104  N   LEU A 266      20.461 -14.030  -3.184  1.00 95.90           N  
+ATOM   2105  CA  LEU A 266      21.080 -12.744  -3.486  1.00 95.90           C  
+ATOM   2106  C   LEU A 266      21.486 -12.668  -4.954  1.00 95.90           C  
+ATOM   2107  CB  LEU A 266      22.304 -12.516  -2.594  1.00 95.90           C  
+ATOM   2108  O   LEU A 266      22.343 -13.430  -5.406  1.00 95.90           O  
+ATOM   2109  CG  LEU A 266      23.059 -11.203  -2.803  1.00 95.90           C  
+ATOM   2110  CD1 LEU A 266      22.159 -10.016  -2.476  1.00 95.90           C  
+ATOM   2111  CD2 LEU A 266      24.324 -11.172  -1.951  1.00 95.90           C  
+ATOM   2112  N   PHE A 267      20.802 -11.741  -5.708  1.00 97.04           N  
+ATOM   2113  CA  PHE A 267      21.163 -11.473  -7.096  1.00 97.04           C  
+ATOM   2114  C   PHE A 267      22.087 -10.265  -7.191  1.00 97.04           C  
+ATOM   2115  CB  PHE A 267      19.909 -11.243  -7.944  1.00 97.04           C  
+ATOM   2116  O   PHE A 267      21.711  -9.157  -6.803  1.00 97.04           O  
+ATOM   2117  CG  PHE A 267      19.196 -12.511  -8.331  1.00 97.04           C  
+ATOM   2118  CD1 PHE A 267      19.648 -13.745  -7.878  1.00 97.04           C  
+ATOM   2119  CD2 PHE A 267      18.074 -12.470  -9.147  1.00 97.04           C  
+ATOM   2120  CE1 PHE A 267      18.991 -14.920  -8.234  1.00 97.04           C  
+ATOM   2121  CE2 PHE A 267      17.412 -13.640  -9.508  1.00 97.04           C  
+ATOM   2122  CZ  PHE A 267      17.872 -14.864  -9.050  1.00 97.04           C  
+ATOM   2123  N   LEU A 268      23.310 -10.526  -7.549  1.00 97.42           N  
+ATOM   2124  CA  LEU A 268      24.213  -9.441  -7.917  1.00 97.42           C  
+ATOM   2125  C   LEU A 268      24.116  -9.134  -9.408  1.00 97.42           C  
+ATOM   2126  CB  LEU A 268      25.656  -9.797  -7.550  1.00 97.42           C  
+ATOM   2127  O   LEU A 268      24.770  -9.788 -10.224  1.00 97.42           O  
+ATOM   2128  CG  LEU A 268      25.927 -10.096  -6.075  1.00 97.42           C  
+ATOM   2129  CD1 LEU A 268      27.369 -10.554  -5.883  1.00 97.42           C  
+ATOM   2130  CD2 LEU A 268      25.630  -8.871  -5.217  1.00 97.42           C  
+ATOM   2131  N   ASN A 269      23.180  -8.119  -9.716  1.00 97.06           N  
+ATOM   2132  CA  ASN A 269      22.679  -7.879 -11.065  1.00 97.06           C  
+ATOM   2133  C   ASN A 269      23.505  -6.820 -11.789  1.00 97.06           C  
+ATOM   2134  CB  ASN A 269      21.206  -7.468 -11.026  1.00 97.06           C  
+ATOM   2135  O   ASN A 269      24.357  -6.168 -11.182  1.00 97.06           O  
+ATOM   2136  CG  ASN A 269      20.536  -7.566 -12.382  1.00 97.06           C  
+ATOM   2137  ND2 ASN A 269      19.652  -6.620 -12.677  1.00 97.06           N  
+ATOM   2138  OD1 ASN A 269      20.810  -8.485 -13.159  1.00 97.06           O  
+ATOM   2139  N   LYS A 270      23.370  -6.722 -13.053  1.00 95.88           N  
+ATOM   2140  CA  LYS A 270      24.013  -5.769 -13.953  1.00 95.88           C  
+ATOM   2141  C   LYS A 270      25.516  -6.022 -14.039  1.00 95.88           C  
+ATOM   2142  CB  LYS A 270      23.749  -4.334 -13.494  1.00 95.88           C  
+ATOM   2143  O   LYS A 270      26.312  -5.082 -14.005  1.00 95.88           O  
+ATOM   2144  CG  LYS A 270      22.279  -3.942 -13.503  1.00 95.88           C  
+ATOM   2145  CD  LYS A 270      22.093  -2.465 -13.181  1.00 95.88           C  
+ATOM   2146  CE  LYS A 270      20.619  -2.091 -13.099  1.00 95.88           C  
+ATOM   2147  NZ  LYS A 270      20.431  -0.633 -12.837  1.00 95.88           N  
+ATOM   2148  N   LYS A 271      25.836  -7.261 -14.066  1.00 95.71           N  
+ATOM   2149  CA  LYS A 271      27.244  -7.645 -14.126  1.00 95.71           C  
+ATOM   2150  C   LYS A 271      27.889  -7.165 -15.422  1.00 95.71           C  
+ATOM   2151  CB  LYS A 271      27.393  -9.161 -13.996  1.00 95.71           C  
+ATOM   2152  O   LYS A 271      29.090  -6.889 -15.459  1.00 95.71           O  
+ATOM   2153  CG  LYS A 271      26.875  -9.939 -15.196  1.00 95.71           C  
+ATOM   2154  CD  LYS A 271      27.127 -11.434 -15.045  1.00 95.71           C  
+ATOM   2155  CE  LYS A 271      26.656 -12.208 -16.268  1.00 95.71           C  
+ATOM   2156  NZ  LYS A 271      26.932 -13.670 -16.139  1.00 95.71           N  
+ATOM   2157  N   ASP A 272      27.135  -7.064 -16.510  1.00 94.57           N  
+ATOM   2158  CA  ASP A 272      27.619  -6.580 -17.799  1.00 94.57           C  
+ATOM   2159  C   ASP A 272      28.089  -5.131 -17.701  1.00 94.57           C  
+ATOM   2160  CB  ASP A 272      26.528  -6.708 -18.864  1.00 94.57           C  
+ATOM   2161  O   ASP A 272      29.158  -4.784 -18.208  1.00 94.57           O  
+ATOM   2162  CG  ASP A 272      25.224  -6.043 -18.460  1.00 94.57           C  
+ATOM   2163  OD1 ASP A 272      24.841  -6.122 -17.273  1.00 94.57           O  
+ATOM   2164  OD2 ASP A 272      24.572  -5.436 -19.337  1.00 94.57           O  
+ATOM   2165  N   LEU A 273      27.251  -4.334 -17.001  1.00 94.10           N  
+ATOM   2166  CA  LEU A 273      27.582  -2.922 -16.840  1.00 94.10           C  
+ATOM   2167  C   LEU A 273      28.746  -2.743 -15.870  1.00 94.10           C  
+ATOM   2168  CB  LEU A 273      26.364  -2.140 -16.342  1.00 94.10           C  
+ATOM   2169  O   LEU A 273      29.607  -1.886 -16.079  1.00 94.10           O  
+ATOM   2170  CG  LEU A 273      25.161  -2.086 -17.286  1.00 94.10           C  
+ATOM   2171  CD1 LEU A 273      24.034  -1.269 -16.662  1.00 94.10           C  
+ATOM   2172  CD2 LEU A 273      25.566  -1.505 -18.636  1.00 94.10           C  
+ATOM   2173  N   PHE A 274      28.743  -3.507 -14.864  1.00 96.09           N  
+ATOM   2174  CA  PHE A 274      29.817  -3.469 -13.879  1.00 96.09           C  
+ATOM   2175  C   PHE A 274      31.156  -3.801 -14.525  1.00 96.09           C  
+ATOM   2176  CB  PHE A 274      29.532  -4.444 -12.732  1.00 96.09           C  
+ATOM   2177  O   PHE A 274      32.162  -3.141 -14.257  1.00 96.09           O  
+ATOM   2178  CG  PHE A 274      30.596  -4.459 -11.668  1.00 96.09           C  
+ATOM   2179  CD1 PHE A 274      31.423  -5.563 -11.508  1.00 96.09           C  
+ATOM   2180  CD2 PHE A 274      30.769  -3.366 -10.828  1.00 96.09           C  
+ATOM   2181  CE1 PHE A 274      32.410  -5.579 -10.525  1.00 96.09           C  
+ATOM   2182  CE2 PHE A 274      31.753  -3.375  -9.843  1.00 96.09           C  
+ATOM   2183  CZ  PHE A 274      32.571  -4.483  -9.692  1.00 96.09           C  
+ATOM   2184  N   GLU A 275      31.167  -4.845 -15.363  1.00 95.98           N  
+ATOM   2185  CA  GLU A 275      32.378  -5.290 -16.046  1.00 95.98           C  
+ATOM   2186  C   GLU A 275      33.001  -4.158 -16.858  1.00 95.98           C  
+ATOM   2187  CB  GLU A 275      32.075  -6.484 -16.955  1.00 95.98           C  
+ATOM   2188  O   GLU A 275      34.224  -4.003 -16.879  1.00 95.98           O  
+ATOM   2189  CG  GLU A 275      33.316  -7.142 -17.541  1.00 95.98           C  
+ATOM   2190  CD  GLU A 275      33.022  -8.457 -18.246  1.00 95.98           C  
+ATOM   2191  OE1 GLU A 275      33.977  -9.202 -18.563  1.00 95.98           O  
+ATOM   2192  OE2 GLU A 275      31.827  -8.744 -18.483  1.00 95.98           O  
+ATOM   2193  N   GLU A 276      32.203  -3.332 -17.453  1.00 93.18           N  
+ATOM   2194  CA  GLU A 276      32.683  -2.220 -18.268  1.00 93.18           C  
+ATOM   2195  C   GLU A 276      33.107  -1.041 -17.397  1.00 93.18           C  
+ATOM   2196  CB  GLU A 276      31.607  -1.779 -19.264  1.00 93.18           C  
+ATOM   2197  O   GLU A 276      34.142  -0.420 -17.644  1.00 93.18           O  
+ATOM   2198  CG  GLU A 276      31.322  -2.802 -20.354  1.00 93.18           C  
+ATOM   2199  CD  GLU A 276      32.552  -3.174 -21.165  1.00 93.18           C  
+ATOM   2200  OE1 GLU A 276      32.797  -4.383 -21.377  1.00 93.18           O  
+ATOM   2201  OE2 GLU A 276      33.279  -2.249 -21.591  1.00 93.18           O  
+ATOM   2202  N   LYS A 277      32.425  -0.811 -16.373  1.00 93.45           N  
+ATOM   2203  CA  LYS A 277      32.601   0.361 -15.520  1.00 93.45           C  
+ATOM   2204  C   LYS A 277      33.848   0.226 -14.651  1.00 93.45           C  
+ATOM   2205  CB  LYS A 277      31.368   0.573 -14.639  1.00 93.45           C  
+ATOM   2206  O   LYS A 277      34.552   1.209 -14.410  1.00 93.45           O  
+ATOM   2207  CG  LYS A 277      31.298   1.950 -13.994  1.00 93.45           C  
+ATOM   2208  CD  LYS A 277      29.939   2.198 -13.352  1.00 93.45           C  
+ATOM   2209  CE  LYS A 277      29.842   3.602 -12.772  1.00 93.45           C  
+ATOM   2210  NZ  LYS A 277      28.479   3.883 -12.228  1.00 93.45           N  
+ATOM   2211  N   ILE A 278      34.103  -0.937 -14.191  1.00 94.44           N  
+ATOM   2212  CA  ILE A 278      35.209  -1.177 -13.271  1.00 94.44           C  
+ATOM   2213  C   ILE A 278      36.536  -0.917 -13.980  1.00 94.44           C  
+ATOM   2214  CB  ILE A 278      35.174  -2.615 -12.708  1.00 94.44           C  
+ATOM   2215  O   ILE A 278      37.553  -0.658 -13.332  1.00 94.44           O  
+ATOM   2216  CG1 ILE A 278      36.052  -2.720 -11.455  1.00 94.44           C  
+ATOM   2217  CG2 ILE A 278      35.618  -3.622 -13.773  1.00 94.44           C  
+ATOM   2218  CD1 ILE A 278      35.559  -1.882 -10.283  1.00 94.44           C  
+ATOM   2219  N   LYS A 279      36.553  -0.914 -15.335  1.00 93.37           N  
+ATOM   2220  CA  LYS A 279      37.745  -0.615 -16.123  1.00 93.37           C  
+ATOM   2221  C   LYS A 279      38.105   0.865 -16.037  1.00 93.37           C  
+ATOM   2222  CB  LYS A 279      37.539  -1.020 -17.583  1.00 93.37           C  
+ATOM   2223  O   LYS A 279      39.277   1.232 -16.139  1.00 93.37           O  
+ATOM   2224  CG  LYS A 279      37.382  -2.519 -17.794  1.00 93.37           C  
+ATOM   2225  CD  LYS A 279      37.130  -2.854 -19.259  1.00 93.37           C  
+ATOM   2226  CE  LYS A 279      36.905  -4.346 -19.461  1.00 93.37           C  
+ATOM   2227  NZ  LYS A 279      36.574  -4.669 -20.881  1.00 93.37           N  
+ATOM   2228  N   LYS A 280      37.165   1.700 -15.723  1.00 90.94           N  
+ATOM   2229  CA  LYS A 280      37.391   3.142 -15.768  1.00 90.94           C  
+ATOM   2230  C   LYS A 280      37.205   3.771 -14.390  1.00 90.94           C  
+ATOM   2231  CB  LYS A 280      36.450   3.802 -16.777  1.00 90.94           C  
+ATOM   2232  O   LYS A 280      37.723   4.857 -14.123  1.00 90.94           O  
+ATOM   2233  CG  LYS A 280      36.610   3.288 -18.200  1.00 90.94           C  
+ATOM   2234  CD  LYS A 280      35.566   3.889 -19.133  1.00 90.94           C  
+ATOM   2235  CE  LYS A 280      35.646   3.284 -20.528  1.00 90.94           C  
+ATOM   2236  NZ  LYS A 280      34.602   3.846 -21.436  1.00 90.94           N  
+ATOM   2237  N   SER A 281      36.432   3.175 -13.453  1.00 92.57           N  
+ATOM   2238  CA  SER A 281      36.130   3.684 -12.119  1.00 92.57           C  
+ATOM   2239  C   SER A 281      36.502   2.670 -11.043  1.00 92.57           C  
+ATOM   2240  CB  SER A 281      34.648   4.042 -12.004  1.00 92.57           C  
+ATOM   2241  O   SER A 281      35.914   1.589 -10.972  1.00 92.57           O  
+ATOM   2242  OG  SER A 281      34.371   4.640 -10.750  1.00 92.57           O  
+ATOM   2243  N   PRO A 282      37.523   3.079 -10.213  1.00 94.31           N  
+ATOM   2244  CA  PRO A 282      38.007   2.148  -9.192  1.00 94.31           C  
+ATOM   2245  C   PRO A 282      36.966   1.862  -8.112  1.00 94.31           C  
+ATOM   2246  CB  PRO A 282      39.221   2.871  -8.603  1.00 94.31           C  
+ATOM   2247  O   PRO A 282      36.160   2.735  -7.780  1.00 94.31           O  
+ATOM   2248  CG  PRO A 282      38.975   4.319  -8.880  1.00 94.31           C  
+ATOM   2249  CD  PRO A 282      38.183   4.433 -10.151  1.00 94.31           C  
+ATOM   2250  N   LEU A 283      37.038   0.657  -7.558  1.00 95.68           N  
+ATOM   2251  CA  LEU A 283      36.119   0.229  -6.509  1.00 95.68           C  
+ATOM   2252  C   LEU A 283      36.351   1.019  -5.226  1.00 95.68           C  
+ATOM   2253  CB  LEU A 283      36.278  -1.269  -6.235  1.00 95.68           C  
+ATOM   2254  O   LEU A 283      35.480   1.067  -4.355  1.00 95.68           O  
+ATOM   2255  CG  LEU A 283      35.246  -1.900  -5.299  1.00 95.68           C  
+ATOM   2256  CD1 LEU A 283      33.841  -1.730  -5.866  1.00 95.68           C  
+ATOM   2257  CD2 LEU A 283      35.562  -3.375  -5.071  1.00 95.68           C  
+ATOM   2258  N   THR A 284      37.489   1.575  -5.054  1.00 95.39           N  
+ATOM   2259  CA  THR A 284      37.892   2.317  -3.864  1.00 95.39           C  
+ATOM   2260  C   THR A 284      36.999   3.538  -3.661  1.00 95.39           C  
+ATOM   2261  CB  THR A 284      39.363   2.762  -3.955  1.00 95.39           C  
+ATOM   2262  O   THR A 284      36.930   4.086  -2.559  1.00 95.39           O  
+ATOM   2263  CG2 THR A 284      40.306   1.566  -3.873  1.00 95.39           C  
+ATOM   2264  OG1 THR A 284      39.575   3.440  -5.200  1.00 95.39           O  
+ATOM   2265  N   ILE A 285      36.291   3.993  -4.664  1.00 92.73           N  
+ATOM   2266  CA  ILE A 285      35.335   5.089  -4.552  1.00 92.73           C  
+ATOM   2267  C   ILE A 285      34.245   4.722  -3.547  1.00 92.73           C  
+ATOM   2268  CB  ILE A 285      34.707   5.434  -5.921  1.00 92.73           C  
+ATOM   2269  O   ILE A 285      33.818   5.562  -2.751  1.00 92.73           O  
+ATOM   2270  CG1 ILE A 285      35.762   6.038  -6.855  1.00 92.73           C  
+ATOM   2271  CG2 ILE A 285      33.520   6.386  -5.746  1.00 92.73           C  
+ATOM   2272  CD1 ILE A 285      35.289   6.214  -8.291  1.00 92.73           C  
+ATOM   2273  N   CYS A 286      33.799   3.528  -3.658  1.00 93.96           N  
+ATOM   2274  CA  CYS A 286      32.770   3.040  -2.748  1.00 93.96           C  
+ATOM   2275  C   CYS A 286      33.393   2.397  -1.515  1.00 93.96           C  
+ATOM   2276  CB  CYS A 286      31.861   2.035  -3.455  1.00 93.96           C  
+ATOM   2277  O   CYS A 286      32.884   2.552  -0.403  1.00 93.96           O  
+ATOM   2278  SG  CYS A 286      30.489   1.451  -2.435  1.00 93.96           S  
+ATOM   2279  N   TYR A 287      34.530   1.742  -1.655  1.00 95.43           N  
+ATOM   2280  CA  TYR A 287      35.242   1.022  -0.605  1.00 95.43           C  
+ATOM   2281  C   TYR A 287      36.694   1.477  -0.520  1.00 95.43           C  
+ATOM   2282  CB  TYR A 287      35.182  -0.489  -0.853  1.00 95.43           C  
+ATOM   2283  O   TYR A 287      37.569   0.906  -1.175  1.00 95.43           O  
+ATOM   2284  CG  TYR A 287      33.777  -1.035  -0.935  1.00 95.43           C  
+ATOM   2285  CD1 TYR A 287      32.998  -1.184   0.211  1.00 95.43           C  
+ATOM   2286  CD2 TYR A 287      33.225  -1.403  -2.157  1.00 95.43           C  
+ATOM   2287  CE1 TYR A 287      31.704  -1.688   0.140  1.00 95.43           C  
+ATOM   2288  CE2 TYR A 287      31.932  -1.909  -2.240  1.00 95.43           C  
+ATOM   2289  OH  TYR A 287      29.900  -2.547  -1.163  1.00 95.43           O  
+ATOM   2290  CZ  TYR A 287      31.180  -2.047  -1.087  1.00 95.43           C  
+ATOM   2291  N   PRO A 288      36.972   2.499   0.283  1.00 94.28           N  
+ATOM   2292  CA  PRO A 288      38.328   3.049   0.360  1.00 94.28           C  
+ATOM   2293  C   PRO A 288      39.344   2.040   0.890  1.00 94.28           C  
+ATOM   2294  CB  PRO A 288      38.176   4.229   1.324  1.00 94.28           C  
+ATOM   2295  O   PRO A 288      40.527   2.112   0.547  1.00 94.28           O  
+ATOM   2296  CG  PRO A 288      36.743   4.638   1.203  1.00 94.28           C  
+ATOM   2297  CD  PRO A 288      35.917   3.412   0.940  1.00 94.28           C  
+ATOM   2298  N   GLU A 289      38.886   1.038   1.605  1.00 93.81           N  
+ATOM   2299  CA  GLU A 289      39.745   0.045   2.245  1.00 93.81           C  
+ATOM   2300  C   GLU A 289      40.043  -1.117   1.302  1.00 93.81           C  
+ATOM   2301  CB  GLU A 289      39.100  -0.474   3.533  1.00 93.81           C  
+ATOM   2302  O   GLU A 289      40.826  -2.009   1.637  1.00 93.81           O  
+ATOM   2303  CG  GLU A 289      37.780  -1.198   3.310  1.00 93.81           C  
+ATOM   2304  CD  GLU A 289      36.581  -0.263   3.276  1.00 93.81           C  
+ATOM   2305  OE1 GLU A 289      35.432  -0.744   3.405  1.00 93.81           O  
+ATOM   2306  OE2 GLU A 289      36.792   0.960   3.118  1.00 93.81           O  
+ATOM   2307  N   TYR A 290      39.472  -1.225   0.113  1.00 94.73           N  
+ATOM   2308  CA  TYR A 290      39.653  -2.288  -0.869  1.00 94.73           C  
+ATOM   2309  C   TYR A 290      41.082  -2.303  -1.399  1.00 94.73           C  
+ATOM   2310  CB  TYR A 290      38.667  -2.122  -2.029  1.00 94.73           C  
+ATOM   2311  O   TYR A 290      41.584  -1.283  -1.875  1.00 94.73           O  
+ATOM   2312  CG  TYR A 290      38.807  -3.177  -3.100  1.00 94.73           C  
+ATOM   2313  CD1 TYR A 290      39.283  -2.851  -4.368  1.00 94.73           C  
+ATOM   2314  CD2 TYR A 290      38.463  -4.500  -2.846  1.00 94.73           C  
+ATOM   2315  CE1 TYR A 290      39.412  -3.819  -5.358  1.00 94.73           C  
+ATOM   2316  CE2 TYR A 290      38.587  -5.477  -3.829  1.00 94.73           C  
+ATOM   2317  OH  TYR A 290      39.188  -6.090  -6.057  1.00 94.73           O  
+ATOM   2318  CZ  TYR A 290      39.062  -5.127  -5.080  1.00 94.73           C  
+ATOM   2319  N   ALA A 291      41.794  -3.443  -1.221  1.00 92.57           N  
+ATOM   2320  CA  ALA A 291      43.215  -3.546  -1.541  1.00 92.57           C  
+ATOM   2321  C   ALA A 291      43.440  -4.436  -2.760  1.00 92.57           C  
+ATOM   2322  CB  ALA A 291      43.993  -4.084  -0.342  1.00 92.57           C  
+ATOM   2323  O   ALA A 291      44.579  -4.645  -3.183  1.00 92.57           O  
+ATOM   2324  N   GLY A 292      42.343  -5.021  -3.367  1.00 91.68           N  
+ATOM   2325  CA  GLY A 292      42.445  -5.881  -4.536  1.00 91.68           C  
+ATOM   2326  C   GLY A 292      42.595  -5.109  -5.833  1.00 91.68           C  
+ATOM   2327  O   GLY A 292      42.524  -3.878  -5.841  1.00 91.68           O  
+ATOM   2328  N   SER A 293      42.851  -5.838  -6.968  1.00 92.67           N  
+ATOM   2329  CA  SER A 293      42.947  -5.231  -8.292  1.00 92.67           C  
+ATOM   2330  C   SER A 293      41.581  -4.773  -8.790  1.00 92.67           C  
+ATOM   2331  CB  SER A 293      43.559  -6.215  -9.290  1.00 92.67           C  
+ATOM   2332  O   SER A 293      40.549  -5.265  -8.329  1.00 92.67           O  
+ATOM   2333  OG  SER A 293      42.750  -7.372  -9.416  1.00 92.67           O  
+ATOM   2334  N   ASN A 294      41.538  -3.754  -9.587  1.00 91.91           N  
+ATOM   2335  CA  ASN A 294      40.301  -3.227 -10.153  1.00 91.91           C  
+ATOM   2336  C   ASN A 294      39.833  -4.057 -11.346  1.00 91.91           C  
+ATOM   2337  CB  ASN A 294      40.478  -1.763 -10.562  1.00 91.91           C  
+ATOM   2338  O   ASN A 294      39.537  -3.510 -12.410  1.00 91.91           O  
+ATOM   2339  CG  ASN A 294      39.165  -1.006 -10.605  1.00 91.91           C  
+ATOM   2340  ND2 ASN A 294      38.948  -0.257 -11.679  1.00 91.91           N  
+ATOM   2341  OD1 ASN A 294      38.353  -1.094  -9.680  1.00 91.91           O  
+ATOM   2342  N   THR A 295      39.865  -5.427 -11.143  1.00 94.73           N  
+ATOM   2343  CA  THR A 295      39.350  -6.378 -12.121  1.00 94.73           C  
+ATOM   2344  C   THR A 295      37.953  -6.853 -11.730  1.00 94.73           C  
+ATOM   2345  CB  THR A 295      40.286  -7.592 -12.267  1.00 94.73           C  
+ATOM   2346  O   THR A 295      37.587  -6.818 -10.553  1.00 94.73           O  
+ATOM   2347  CG2 THR A 295      41.699  -7.155 -12.639  1.00 94.73           C  
+ATOM   2348  OG1 THR A 295      40.329  -8.307 -11.026  1.00 94.73           O  
+ATOM   2349  N   TYR A 296      37.148  -7.209 -12.742  1.00 95.22           N  
+ATOM   2350  CA  TYR A 296      35.786  -7.683 -12.525  1.00 95.22           C  
+ATOM   2351  C   TYR A 296      35.755  -8.796 -11.484  1.00 95.22           C  
+ATOM   2352  CB  TYR A 296      35.173  -8.179 -13.838  1.00 95.22           C  
+ATOM   2353  O   TYR A 296      34.979  -8.740 -10.528  1.00 95.22           O  
+ATOM   2354  CG  TYR A 296      33.879  -8.935 -13.657  1.00 95.22           C  
+ATOM   2355  CD1 TYR A 296      33.856 -10.328 -13.672  1.00 95.22           C  
+ATOM   2356  CD2 TYR A 296      32.678  -8.258 -13.472  1.00 95.22           C  
+ATOM   2357  CE1 TYR A 296      32.665 -11.028 -13.507  1.00 95.22           C  
+ATOM   2358  CE2 TYR A 296      31.482  -8.949 -13.307  1.00 95.22           C  
+ATOM   2359  OH  TYR A 296      30.305 -11.020 -13.162  1.00 95.22           O  
+ATOM   2360  CZ  TYR A 296      31.486 -10.331 -13.325  1.00 95.22           C  
+ATOM   2361  N   GLU A 297      36.615  -9.767 -11.587  1.00 95.09           N  
+ATOM   2362  CA  GLU A 297      36.602 -10.970 -10.760  1.00 95.09           C  
+ATOM   2363  C   GLU A 297      36.869 -10.636  -9.295  1.00 95.09           C  
+ATOM   2364  CB  GLU A 297      37.635 -11.981 -11.266  1.00 95.09           C  
+ATOM   2365  O   GLU A 297      36.119 -11.054  -8.411  1.00 95.09           O  
+ATOM   2366  CG  GLU A 297      37.292 -12.586 -12.619  1.00 95.09           C  
+ATOM   2367  CD  GLU A 297      37.610 -11.664 -13.786  1.00 95.09           C  
+ATOM   2368  OE1 GLU A 297      37.103 -11.905 -14.905  1.00 95.09           O  
+ATOM   2369  OE2 GLU A 297      38.372 -10.694 -13.580  1.00 95.09           O  
+ATOM   2370  N   GLU A 298      37.897  -9.767  -8.977  1.00 95.82           N  
+ATOM   2371  CA  GLU A 298      38.281  -9.446  -7.606  1.00 95.82           C  
+ATOM   2372  C   GLU A 298      37.300  -8.462  -6.974  1.00 95.82           C  
+ATOM   2373  CB  GLU A 298      39.700  -8.873  -7.565  1.00 95.82           C  
+ATOM   2374  O   GLU A 298      36.918  -8.619  -5.812  1.00 95.82           O  
+ATOM   2375  CG  GLU A 298      40.789  -9.913  -7.786  1.00 95.82           C  
+ATOM   2376  CD  GLU A 298      42.180  -9.410  -7.430  1.00 95.82           C  
+ATOM   2377  OE1 GLU A 298      43.178 -10.018  -7.880  1.00 95.82           O  
+ATOM   2378  OE2 GLU A 298      42.271  -8.402  -6.696  1.00 95.82           O  
+ATOM   2379  N   ALA A 299      36.883  -7.494  -7.772  1.00 96.71           N  
+ATOM   2380  CA  ALA A 299      35.954  -6.482  -7.277  1.00 96.71           C  
+ATOM   2381  C   ALA A 299      34.579  -7.085  -7.005  1.00 96.71           C  
+ATOM   2382  CB  ALA A 299      35.839  -5.331  -8.273  1.00 96.71           C  
+ATOM   2383  O   ALA A 299      33.965  -6.807  -5.972  1.00 96.71           O  
+ATOM   2384  N   ALA A 300      34.053  -7.921  -7.975  1.00 96.53           N  
+ATOM   2385  CA  ALA A 300      32.761  -8.583  -7.817  1.00 96.53           C  
+ATOM   2386  C   ALA A 300      32.768  -9.518  -6.611  1.00 96.53           C  
+ATOM   2387  CB  ALA A 300      32.400  -9.356  -9.083  1.00 96.53           C  
+ATOM   2388  O   ALA A 300      31.807  -9.551  -5.837  1.00 96.53           O  
+ATOM   2389  N   ALA A 301      33.870 -10.255  -6.398  1.00 96.29           N  
+ATOM   2390  CA  ALA A 301      34.019 -11.159  -5.261  1.00 96.29           C  
+ATOM   2391  C   ALA A 301      34.012 -10.389  -3.943  1.00 96.29           C  
+ATOM   2392  CB  ALA A 301      35.304 -11.972  -5.392  1.00 96.29           C  
+ATOM   2393  O   ALA A 301      33.435 -10.845  -2.954  1.00 96.29           O  
+ATOM   2394  N   TYR A 302      34.658  -9.261  -3.984  1.00 96.99           N  
+ATOM   2395  CA  TYR A 302      34.700  -8.420  -2.793  1.00 96.99           C  
+ATOM   2396  C   TYR A 302      33.303  -7.948  -2.409  1.00 96.99           C  
+ATOM   2397  CB  TYR A 302      35.616  -7.214  -3.019  1.00 96.99           C  
+ATOM   2398  O   TYR A 302      32.920  -8.008  -1.239  1.00 96.99           O  
+ATOM   2399  CG  TYR A 302      35.770  -6.333  -1.802  1.00 96.99           C  
+ATOM   2400  CD1 TYR A 302      34.983  -5.196  -1.637  1.00 96.99           C  
+ATOM   2401  CD2 TYR A 302      36.704  -6.636  -0.817  1.00 96.99           C  
+ATOM   2402  CE1 TYR A 302      35.124  -4.381  -0.518  1.00 96.99           C  
+ATOM   2403  CE2 TYR A 302      36.854  -5.828   0.305  1.00 96.99           C  
+ATOM   2404  OH  TYR A 302      36.203  -3.901   1.555  1.00 96.99           O  
+ATOM   2405  CZ  TYR A 302      36.060  -4.704   0.446  1.00 96.99           C  
+ATOM   2406  N   ILE A 303      32.605  -7.411  -3.363  1.00 96.98           N  
+ATOM   2407  CA  ILE A 303      31.251  -6.926  -3.118  1.00 96.98           C  
+ATOM   2408  C   ILE A 303      30.374  -8.071  -2.618  1.00 96.98           C  
+ATOM   2409  CB  ILE A 303      30.638  -6.297  -4.390  1.00 96.98           C  
+ATOM   2410  O   ILE A 303      29.584  -7.895  -1.688  1.00 96.98           O  
+ATOM   2411  CG1 ILE A 303      31.378  -5.006  -4.758  1.00 96.98           C  
+ATOM   2412  CG2 ILE A 303      29.142  -6.034  -4.194  1.00 96.98           C  
+ATOM   2413  CD1 ILE A 303      30.919  -4.381  -6.068  1.00 96.98           C  
+ATOM   2414  N   GLN A 304      30.509  -9.244  -3.271  1.00 96.78           N  
+ATOM   2415  CA  GLN A 304      29.792 -10.432  -2.819  1.00 96.78           C  
+ATOM   2416  C   GLN A 304      30.073 -10.716  -1.346  1.00 96.78           C  
+ATOM   2417  CB  GLN A 304      30.171 -11.645  -3.670  1.00 96.78           C  
+ATOM   2418  O   GLN A 304      29.147 -10.950  -0.567  1.00 96.78           O  
+ATOM   2419  CG  GLN A 304      29.472 -12.931  -3.252  1.00 96.78           C  
+ATOM   2420  CD  GLN A 304      29.862 -14.117  -4.115  1.00 96.78           C  
+ATOM   2421  NE2 GLN A 304      29.572 -15.321  -3.633  1.00 96.78           N  
+ATOM   2422  OE1 GLN A 304      30.417 -13.953  -5.206  1.00 96.78           O  
+ATOM   2423  N   CYS A 305      31.258 -10.654  -0.945  1.00 95.56           N  
+ATOM   2424  CA  CYS A 305      31.661 -10.912   0.432  1.00 95.56           C  
+ATOM   2425  C   CYS A 305      31.061  -9.880   1.379  1.00 95.56           C  
+ATOM   2426  CB  CYS A 305      33.185 -10.905   0.555  1.00 95.56           C  
+ATOM   2427  O   CYS A 305      30.629 -10.220   2.482  1.00 95.56           O  
+ATOM   2428  SG  CYS A 305      33.975 -12.391  -0.099  1.00 95.56           S  
+ATOM   2429  N   GLN A 306      31.043  -8.677   0.974  1.00 96.36           N  
+ATOM   2430  CA  GLN A 306      30.477  -7.610   1.792  1.00 96.36           C  
+ATOM   2431  C   GLN A 306      29.012  -7.887   2.119  1.00 96.36           C  
+ATOM   2432  CB  GLN A 306      30.611  -6.261   1.085  1.00 96.36           C  
+ATOM   2433  O   GLN A 306      28.581  -7.711   3.260  1.00 96.36           O  
+ATOM   2434  CG  GLN A 306      32.046  -5.759   0.986  1.00 96.36           C  
+ATOM   2435  CD  GLN A 306      32.692  -5.557   2.343  1.00 96.36           C  
+ATOM   2436  NE2 GLN A 306      33.823  -6.218   2.566  1.00 96.36           N  
+ATOM   2437  OE1 GLN A 306      32.180  -4.812   3.185  1.00 96.36           O  
+ATOM   2438  N   PHE A 307      28.292  -8.333   1.229  1.00 96.47           N  
+ATOM   2439  CA  PHE A 307      26.877  -8.621   1.428  1.00 96.47           C  
+ATOM   2440  C   PHE A 307      26.693  -9.890   2.253  1.00 96.47           C  
+ATOM   2441  CB  PHE A 307      26.161  -8.763   0.080  1.00 96.47           C  
+ATOM   2442  O   PHE A 307      25.854  -9.933   3.155  1.00 96.47           O  
+ATOM   2443  CG  PHE A 307      25.675  -7.458  -0.490  1.00 96.47           C  
+ATOM   2444  CD1 PHE A 307      24.406  -6.981  -0.187  1.00 96.47           C  
+ATOM   2445  CD2 PHE A 307      26.489  -6.708  -1.328  1.00 96.47           C  
+ATOM   2446  CE1 PHE A 307      23.953  -5.773  -0.713  1.00 96.47           C  
+ATOM   2447  CE2 PHE A 307      26.044  -5.500  -1.858  1.00 96.47           C  
+ATOM   2448  CZ  PHE A 307      24.775  -5.035  -1.550  1.00 96.47           C  
+ATOM   2449  N   GLU A 308      27.429 -10.884   1.940  1.00 94.64           N  
+ATOM   2450  CA  GLU A 308      27.323 -12.142   2.673  1.00 94.64           C  
+ATOM   2451  C   GLU A 308      27.700 -11.958   4.140  1.00 94.64           C  
+ATOM   2452  CB  GLU A 308      28.207 -13.214   2.032  1.00 94.64           C  
+ATOM   2453  O   GLU A 308      27.137 -12.616   5.019  1.00 94.64           O  
+ATOM   2454  CG  GLU A 308      27.670 -13.745   0.711  1.00 94.64           C  
+ATOM   2455  CD  GLU A 308      28.581 -14.776   0.064  1.00 94.64           C  
+ATOM   2456  OE1 GLU A 308      28.152 -15.442  -0.906  1.00 94.64           O  
+ATOM   2457  OE2 GLU A 308      29.733 -14.921   0.532  1.00 94.64           O  
+ATOM   2458  N   ASP A 309      28.586 -11.029   4.467  1.00 94.68           N  
+ATOM   2459  CA  ASP A 309      29.055 -10.768   5.824  1.00 94.68           C  
+ATOM   2460  C   ASP A 309      27.977 -10.076   6.654  1.00 94.68           C  
+ATOM   2461  CB  ASP A 309      30.327  -9.917   5.798  1.00 94.68           C  
+ATOM   2462  O   ASP A 309      28.046 -10.065   7.885  1.00 94.68           O  
+ATOM   2463  CG  ASP A 309      31.568 -10.716   5.441  1.00 94.68           C  
+ATOM   2464  OD1 ASP A 309      31.511 -11.965   5.442  1.00 94.68           O  
+ATOM   2465  OD2 ASP A 309      32.614 -10.091   5.159  1.00 94.68           O  
+ATOM   2466  N   LEU A 310      26.966  -9.594   5.977  1.00 94.82           N  
+ATOM   2467  CA  LEU A 310      25.888  -8.909   6.682  1.00 94.82           C  
+ATOM   2468  C   LEU A 310      24.928  -9.912   7.314  1.00 94.82           C  
+ATOM   2469  CB  LEU A 310      25.125  -7.986   5.728  1.00 94.82           C  
+ATOM   2470  O   LEU A 310      24.124  -9.550   8.176  1.00 94.82           O  
+ATOM   2471  CG  LEU A 310      25.876  -6.747   5.238  1.00 94.82           C  
+ATOM   2472  CD1 LEU A 310      25.059  -6.017   4.177  1.00 94.82           C  
+ATOM   2473  CD2 LEU A 310      26.195  -5.819   6.406  1.00 94.82           C  
+ATOM   2474  N   ASN A 311      24.973 -11.139   6.899  1.00 93.47           N  
+ATOM   2475  CA  ASN A 311      24.165 -12.221   7.452  1.00 93.47           C  
+ATOM   2476  C   ASN A 311      24.662 -12.643   8.831  1.00 93.47           C  
+ATOM   2477  CB  ASN A 311      24.151 -13.420   6.502  1.00 93.47           C  
+ATOM   2478  O   ASN A 311      25.694 -13.307   8.948  1.00 93.47           O  
+ATOM   2479  CG  ASN A 311      23.282 -14.555   7.007  1.00 93.47           C  
+ATOM   2480  ND2 ASN A 311      23.482 -15.746   6.456  1.00 93.47           N  
+ATOM   2481  OD1 ASN A 311      22.436 -14.363   7.885  1.00 93.47           O  
+ATOM   2482  N   LYS A 312      23.947 -12.319   9.879  1.00 91.29           N  
+ATOM   2483  CA  LYS A 312      24.335 -12.571  11.264  1.00 91.29           C  
+ATOM   2484  C   LYS A 312      24.028 -14.010  11.668  1.00 91.29           C  
+ATOM   2485  CB  LYS A 312      23.624 -11.599  12.207  1.00 91.29           C  
+ATOM   2486  O   LYS A 312      24.529 -14.496  12.684  1.00 91.29           O  
+ATOM   2487  CG  LYS A 312      24.050 -10.148  12.037  1.00 91.29           C  
+ATOM   2488  CD  LYS A 312      23.309  -9.231  13.000  1.00 91.29           C  
+ATOM   2489  CE  LYS A 312      23.703  -7.774  12.802  1.00 91.29           C  
+ATOM   2490  NZ  LYS A 312      22.913  -6.861  13.681  1.00 91.29           N  
+ATOM   2491  N   ARG A 313      23.324 -14.760  10.827  1.00 86.32           N  
+ATOM   2492  CA  ARG A 313      22.930 -16.141  11.087  1.00 86.32           C  
+ATOM   2493  C   ARG A 313      23.599 -17.096  10.104  1.00 86.32           C  
+ATOM   2494  CB  ARG A 313      21.409 -16.290  11.010  1.00 86.32           C  
+ATOM   2495  O   ARG A 313      22.946 -17.983   9.551  1.00 86.32           O  
+ATOM   2496  CG  ARG A 313      20.658 -15.502  12.072  1.00 86.32           C  
+ATOM   2497  CD  ARG A 313      19.151 -15.654  11.926  1.00 86.32           C  
+ATOM   2498  NE  ARG A 313      18.429 -14.746  12.814  1.00 86.32           N  
+ATOM   2499  NH1 ARG A 313      16.327 -15.462  12.176  1.00 86.32           N  
+ATOM   2500  NH2 ARG A 313      16.552 -13.813  13.752  1.00 86.32           N  
+ATOM   2501  CZ  ARG A 313      17.104 -14.676  12.912  1.00 86.32           C  
+ATOM   2502  N   LYS A 314      24.877 -16.924   9.836  1.00 84.05           N  
+ATOM   2503  CA  LYS A 314      25.615 -17.674   8.824  1.00 84.05           C  
+ATOM   2504  C   LYS A 314      25.671 -19.159   9.171  1.00 84.05           C  
+ATOM   2505  CB  LYS A 314      27.032 -17.117   8.671  1.00 84.05           C  
+ATOM   2506  O   LYS A 314      25.796 -20.005   8.283  1.00 84.05           O  
+ATOM   2507  CG  LYS A 314      27.095 -15.772   7.963  1.00 84.05           C  
+ATOM   2508  CD  LYS A 314      28.534 -15.310   7.770  1.00 84.05           C  
+ATOM   2509  CE  LYS A 314      28.597 -13.933   7.122  1.00 84.05           C  
+ATOM   2510  NZ  LYS A 314      30.006 -13.491   6.897  1.00 84.05           N  
+ATOM   2511  N   ASP A 315      25.423 -19.447  10.420  1.00 81.96           N  
+ATOM   2512  CA  ASP A 315      25.499 -20.819  10.912  1.00 81.96           C  
+ATOM   2513  C   ASP A 315      24.185 -21.560  10.678  1.00 81.96           C  
+ATOM   2514  CB  ASP A 315      25.856 -20.837  12.400  1.00 81.96           C  
+ATOM   2515  O   ASP A 315      24.174 -22.784  10.531  1.00 81.96           O  
+ATOM   2516  CG  ASP A 315      24.953 -19.947  13.236  1.00 81.96           C  
+ATOM   2517  OD1 ASP A 315      24.563 -18.858  12.763  1.00 81.96           O  
+ATOM   2518  OD2 ASP A 315      24.632 -20.337  14.380  1.00 81.96           O  
+ATOM   2519  N   THR A 316      23.135 -20.803  10.520  1.00 81.66           N  
+ATOM   2520  CA  THR A 316      21.827 -21.446  10.471  1.00 81.66           C  
+ATOM   2521  C   THR A 316      21.095 -21.087   9.181  1.00 81.66           C  
+ATOM   2522  CB  THR A 316      20.963 -21.048  11.683  1.00 81.66           C  
+ATOM   2523  O   THR A 316      20.181 -21.800   8.761  1.00 81.66           O  
+ATOM   2524  CG2 THR A 316      21.581 -21.544  12.986  1.00 81.66           C  
+ATOM   2525  OG1 THR A 316      20.852 -19.620  11.733  1.00 81.66           O  
+ATOM   2526  N   LYS A 317      21.575 -20.069   8.434  1.00 82.57           N  
+ATOM   2527  CA  LYS A 317      20.896 -19.610   7.226  1.00 82.57           C  
+ATOM   2528  C   LYS A 317      21.897 -19.305   6.115  1.00 82.57           C  
+ATOM   2529  CB  LYS A 317      20.050 -18.371   7.523  1.00 82.57           C  
+ATOM   2530  O   LYS A 317      22.744 -18.422   6.260  1.00 82.57           O  
+ATOM   2531  CG  LYS A 317      19.178 -17.923   6.359  1.00 82.57           C  
+ATOM   2532  CD  LYS A 317      18.263 -16.772   6.756  1.00 82.57           C  
+ATOM   2533  CE  LYS A 317      17.361 -16.351   5.604  1.00 82.57           C  
+ATOM   2534  NZ  LYS A 317      16.402 -15.281   6.014  1.00 82.57           N  
+ATOM   2535  N   GLU A 318      21.797 -20.085   5.090  1.00 84.34           N  
+ATOM   2536  CA  GLU A 318      22.676 -19.901   3.940  1.00 84.34           C  
+ATOM   2537  C   GLU A 318      22.061 -18.943   2.923  1.00 84.34           C  
+ATOM   2538  CB  GLU A 318      22.983 -21.246   3.276  1.00 84.34           C  
+ATOM   2539  O   GLU A 318      20.874 -19.044   2.607  1.00 84.34           O  
+ATOM   2540  CG  GLU A 318      24.065 -21.173   2.209  1.00 84.34           C  
+ATOM   2541  CD  GLU A 318      24.459 -22.535   1.660  1.00 84.34           C  
+ATOM   2542  OE1 GLU A 318      25.470 -22.624   0.927  1.00 84.34           O  
+ATOM   2543  OE2 GLU A 318      23.751 -23.520   1.964  1.00 84.34           O  
+ATOM   2544  N   ILE A 319      22.859 -17.941   2.483  1.00 90.20           N  
+ATOM   2545  CA  ILE A 319      22.449 -17.026   1.424  1.00 90.20           C  
+ATOM   2546  C   ILE A 319      23.010 -17.500   0.086  1.00 90.20           C  
+ATOM   2547  CB  ILE A 319      22.909 -15.580   1.716  1.00 90.20           C  
+ATOM   2548  O   ILE A 319      24.220 -17.700  -0.051  1.00 90.20           O  
+ATOM   2549  CG1 ILE A 319      22.236 -15.051   2.988  1.00 90.20           C  
+ATOM   2550  CG2 ILE A 319      22.616 -14.668   0.521  1.00 90.20           C  
+ATOM   2551  CD1 ILE A 319      22.715 -13.671   3.415  1.00 90.20           C  
+ATOM   2552  N   TYR A 320      22.066 -17.781  -0.916  1.00 91.23           N  
+ATOM   2553  CA  TYR A 320      22.471 -18.224  -2.246  1.00 91.23           C  
+ATOM   2554  C   TYR A 320      22.712 -17.035  -3.168  1.00 91.23           C  
+ATOM   2555  CB  TYR A 320      21.410 -19.148  -2.851  1.00 91.23           C  
+ATOM   2556  O   TYR A 320      21.796 -16.253  -3.435  1.00 91.23           O  
+ATOM   2557  CG  TYR A 320      21.134 -20.380  -2.024  1.00 91.23           C  
+ATOM   2558  CD1 TYR A 320      21.878 -21.544  -2.203  1.00 91.23           C  
+ATOM   2559  CD2 TYR A 320      20.129 -20.383  -1.063  1.00 91.23           C  
+ATOM   2560  CE1 TYR A 320      21.626 -22.682  -1.444  1.00 91.23           C  
+ATOM   2561  CE2 TYR A 320      19.868 -21.515  -0.298  1.00 91.23           C  
+ATOM   2562  OH  TYR A 320      20.368 -23.782   0.258  1.00 91.23           O  
+ATOM   2563  CZ  TYR A 320      20.621 -22.658  -0.496  1.00 91.23           C  
+ATOM   2564  N   THR A 321      23.978 -16.921  -3.597  1.00 94.36           N  
+ATOM   2565  CA  THR A 321      24.373 -15.736  -4.350  1.00 94.36           C  
+ATOM   2566  C   THR A 321      24.621 -16.085  -5.815  1.00 94.36           C  
+ATOM   2567  CB  THR A 321      25.636 -15.090  -3.752  1.00 94.36           C  
+ATOM   2568  O   THR A 321      25.287 -17.077  -6.119  1.00 94.36           O  
+ATOM   2569  CG2 THR A 321      25.996 -13.803  -4.488  1.00 94.36           C  
+ATOM   2570  OG1 THR A 321      25.404 -14.789  -2.371  1.00 94.36           O  
+ATOM   2571  N   HIS A 322      24.065 -15.235  -6.755  1.00 95.23           N  
+ATOM   2572  CA  HIS A 322      24.239 -15.408  -8.192  1.00 95.23           C  
+ATOM   2573  C   HIS A 322      24.549 -14.079  -8.874  1.00 95.23           C  
+ATOM   2574  CB  HIS A 322      22.988 -16.035  -8.811  1.00 95.23           C  
+ATOM   2575  O   HIS A 322      23.928 -13.059  -8.567  1.00 95.23           O  
+ATOM   2576  CG  HIS A 322      22.673 -17.396  -8.277  1.00 95.23           C  
+ATOM   2577  CD2 HIS A 322      21.853 -17.789  -7.273  1.00 95.23           C  
+ATOM   2578  ND1 HIS A 322      23.236 -18.545  -8.788  1.00 95.23           N  
+ATOM   2579  CE1 HIS A 322      22.774 -19.589  -8.120  1.00 95.23           C  
+ATOM   2580  NE2 HIS A 322      21.933 -19.158  -7.196  1.00 95.23           N  
+ATOM   2581  N   PHE A 323      25.546 -14.141  -9.717  1.00 95.96           N  
+ATOM   2582  CA  PHE A 323      25.763 -12.996 -10.593  1.00 95.96           C  
+ATOM   2583  C   PHE A 323      24.828 -13.048 -11.795  1.00 95.96           C  
+ATOM   2584  CB  PHE A 323      27.220 -12.946 -11.063  1.00 95.96           C  
+ATOM   2585  O   PHE A 323      24.791 -14.047 -12.516  1.00 95.96           O  
+ATOM   2586  CG  PHE A 323      28.206 -12.686  -9.956  1.00 95.96           C  
+ATOM   2587  CD1 PHE A 323      28.516 -11.386  -9.573  1.00 95.96           C  
+ATOM   2588  CD2 PHE A 323      28.824 -13.742  -9.299  1.00 95.96           C  
+ATOM   2589  CE1 PHE A 323      29.429 -11.143  -8.550  1.00 95.96           C  
+ATOM   2590  CE2 PHE A 323      29.737 -13.506  -8.274  1.00 95.96           C  
+ATOM   2591  CZ  PHE A 323      30.039 -12.206  -7.902  1.00 95.96           C  
+ATOM   2592  N   THR A 324      24.073 -11.895 -11.969  1.00 95.59           N  
+ATOM   2593  CA  THR A 324      23.020 -11.964 -12.976  1.00 95.59           C  
+ATOM   2594  C   THR A 324      23.079 -10.754 -13.905  1.00 95.59           C  
+ATOM   2595  CB  THR A 324      21.627 -12.045 -12.324  1.00 95.59           C  
+ATOM   2596  O   THR A 324      23.634  -9.715 -13.543  1.00 95.59           O  
+ATOM   2597  CG2 THR A 324      21.508 -13.277 -11.433  1.00 95.59           C  
+ATOM   2598  OG1 THR A 324      21.409 -10.872 -11.530  1.00 95.59           O  
+ATOM   2599  N   CYS A 325      22.628 -10.982 -15.110  1.00 95.25           N  
+ATOM   2600  CA  CYS A 325      22.266  -9.963 -16.089  1.00 95.25           C  
+ATOM   2601  C   CYS A 325      20.809 -10.106 -16.512  1.00 95.25           C  
+ATOM   2602  CB  CYS A 325      23.173 -10.051 -17.316  1.00 95.25           C  
+ATOM   2603  O   CYS A 325      20.471 -10.989 -17.303  1.00 95.25           O  
+ATOM   2604  SG  CYS A 325      22.872  -8.757 -18.539  1.00 95.25           S  
+ATOM   2605  N   ALA A 326      20.022  -9.229 -15.971  1.00 93.76           N  
+ATOM   2606  CA  ALA A 326      18.573  -9.382 -16.067  1.00 93.76           C  
+ATOM   2607  C   ALA A 326      18.099  -9.221 -17.508  1.00 93.76           C  
+ATOM   2608  CB  ALA A 326      17.870  -8.371 -15.164  1.00 93.76           C  
+ATOM   2609  O   ALA A 326      17.014  -9.685 -17.867  1.00 93.76           O  
+ATOM   2610  N   THR A 327      18.932  -8.632 -18.335  1.00 93.24           N  
+ATOM   2611  CA  THR A 327      18.557  -8.440 -19.732  1.00 93.24           C  
+ATOM   2612  C   THR A 327      19.006  -9.626 -20.581  1.00 93.24           C  
+ATOM   2613  CB  THR A 327      19.161  -7.141 -20.298  1.00 93.24           C  
+ATOM   2614  O   THR A 327      18.677  -9.707 -21.766  1.00 93.24           O  
+ATOM   2615  CG2 THR A 327      18.582  -5.915 -19.600  1.00 93.24           C  
+ATOM   2616  OG1 THR A 327      20.581  -7.159 -20.109  1.00 93.24           O  
+ATOM   2617  N   ASP A 328      19.801 -10.534 -20.001  1.00 94.48           N  
+ATOM   2618  CA  ASP A 328      20.259 -11.756 -20.655  1.00 94.48           C  
+ATOM   2619  C   ASP A 328      19.350 -12.935 -20.314  1.00 94.48           C  
+ATOM   2620  CB  ASP A 328      21.701 -12.071 -20.255  1.00 94.48           C  
+ATOM   2621  O   ASP A 328      19.421 -13.481 -19.211  1.00 94.48           O  
+ATOM   2622  CG  ASP A 328      22.289 -13.241 -21.025  1.00 94.48           C  
+ATOM   2623  OD1 ASP A 328      21.520 -14.033 -21.610  1.00 94.48           O  
+ATOM   2624  OD2 ASP A 328      23.531 -13.372 -21.044  1.00 94.48           O  
+ATOM   2625  N   THR A 329      18.491 -13.354 -21.274  1.00 93.26           N  
+ATOM   2626  CA  THR A 329      17.458 -14.362 -21.065  1.00 93.26           C  
+ATOM   2627  C   THR A 329      18.079 -15.698 -20.665  1.00 93.26           C  
+ATOM   2628  CB  THR A 329      16.598 -14.551 -22.328  1.00 93.26           C  
+ATOM   2629  O   THR A 329      17.566 -16.386 -19.779  1.00 93.26           O  
+ATOM   2630  CG2 THR A 329      15.492 -15.574 -22.093  1.00 93.26           C  
+ATOM   2631  OG1 THR A 329      16.005 -13.297 -22.687  1.00 93.26           O  
+ATOM   2632  N   LYS A 330      19.191 -16.110 -21.233  1.00 92.64           N  
+ATOM   2633  CA  LYS A 330      19.864 -17.372 -20.942  1.00 92.64           C  
+ATOM   2634  C   LYS A 330      20.409 -17.389 -19.516  1.00 92.64           C  
+ATOM   2635  CB  LYS A 330      20.997 -17.619 -21.939  1.00 92.64           C  
+ATOM   2636  O   LYS A 330      20.276 -18.387 -18.806  1.00 92.64           O  
+ATOM   2637  CG  LYS A 330      20.522 -17.968 -23.342  1.00 92.64           C  
+ATOM   2638  CD  LYS A 330      21.692 -18.269 -24.269  1.00 92.64           C  
+ATOM   2639  CE  LYS A 330      21.225 -18.517 -25.697  1.00 92.64           C  
+ATOM   2640  NZ  LYS A 330      22.373 -18.762 -26.621  1.00 92.64           N  
+ATOM   2641  N   ASN A 331      21.095 -16.240 -19.153  1.00 92.13           N  
+ATOM   2642  CA  ASN A 331      21.632 -16.095 -17.804  1.00 92.13           C  
+ATOM   2643  C   ASN A 331      20.535 -16.205 -16.749  1.00 92.13           C  
+ATOM   2644  CB  ASN A 331      22.374 -14.764 -17.662  1.00 92.13           C  
+ATOM   2645  O   ASN A 331      20.688 -16.927 -15.762  1.00 92.13           O  
+ATOM   2646  CG  ASN A 331      22.959 -14.567 -16.277  1.00 92.13           C  
+ATOM   2647  ND2 ASN A 331      23.946 -15.385 -15.928  1.00 92.13           N  
+ATOM   2648  OD1 ASN A 331      22.528 -13.688 -15.527  1.00 92.13           O  
+ATOM   2649  N   VAL A 332      19.331 -15.513 -16.935  1.00 91.82           N  
+ATOM   2650  CA  VAL A 332      18.228 -15.484 -15.981  1.00 91.82           C  
+ATOM   2651  C   VAL A 332      17.579 -16.865 -15.899  1.00 91.82           C  
+ATOM   2652  CB  VAL A 332      17.173 -14.422 -16.364  1.00 91.82           C  
+ATOM   2653  O   VAL A 332      17.226 -17.328 -14.812  1.00 91.82           O  
+ATOM   2654  CG1 VAL A 332      15.935 -14.546 -15.477  1.00 91.82           C  
+ATOM   2655  CG2 VAL A 332      17.769 -13.019 -16.262  1.00 91.82           C  
+ATOM   2656  N   GLN A 333      17.437 -17.507 -17.031  1.00 90.58           N  
+ATOM   2657  CA  GLN A 333      16.888 -18.859 -17.052  1.00 90.58           C  
+ATOM   2658  C   GLN A 333      17.759 -19.819 -16.247  1.00 90.58           C  
+ATOM   2659  CB  GLN A 333      16.747 -19.359 -18.491  1.00 90.58           C  
+ATOM   2660  O   GLN A 333      17.247 -20.622 -15.465  1.00 90.58           O  
+ATOM   2661  CG  GLN A 333      16.061 -20.713 -18.607  1.00 90.58           C  
+ATOM   2662  CD  GLN A 333      14.592 -20.661 -18.229  1.00 90.58           C  
+ATOM   2663  NE2 GLN A 333      14.107 -21.718 -17.587  1.00 90.58           N  
+ATOM   2664  OE1 GLN A 333      13.900 -19.678 -18.512  1.00 90.58           O  
+ATOM   2665  N   PHE A 334      19.059 -19.788 -16.450  1.00 88.61           N  
+ATOM   2666  CA  PHE A 334      20.012 -20.642 -15.750  1.00 88.61           C  
+ATOM   2667  C   PHE A 334      19.956 -20.398 -14.247  1.00 88.61           C  
+ATOM   2668  CB  PHE A 334      21.433 -20.401 -16.269  1.00 88.61           C  
+ATOM   2669  O   PHE A 334      19.896 -21.345 -13.461  1.00 88.61           O  
+ATOM   2670  CG  PHE A 334      22.487 -21.188 -15.537  1.00 88.61           C  
+ATOM   2671  CD1 PHE A 334      23.252 -20.593 -14.541  1.00 88.61           C  
+ATOM   2672  CD2 PHE A 334      22.714 -22.523 -15.846  1.00 88.61           C  
+ATOM   2673  CE1 PHE A 334      24.228 -21.319 -13.862  1.00 88.61           C  
+ATOM   2674  CE2 PHE A 334      23.688 -23.254 -15.173  1.00 88.61           C  
+ATOM   2675  CZ  PHE A 334      24.445 -22.650 -14.182  1.00 88.61           C  
+ATOM   2676  N   VAL A 335      20.002 -19.157 -13.847  1.00 87.14           N  
+ATOM   2677  CA  VAL A 335      20.027 -18.754 -12.445  1.00 87.14           C  
+ATOM   2678  C   VAL A 335      18.708 -19.131 -11.775  1.00 87.14           C  
+ATOM   2679  CB  VAL A 335      20.287 -17.238 -12.294  1.00 87.14           C  
+ATOM   2680  O   VAL A 335      18.698 -19.640 -10.651  1.00 87.14           O  
+ATOM   2681  CG1 VAL A 335      20.085 -16.797 -10.845  1.00 87.14           C  
+ATOM   2682  CG2 VAL A 335      21.695 -16.889 -12.771  1.00 87.14           C  
+ATOM   2683  N   PHE A 336      17.596 -18.906 -12.460  1.00 86.03           N  
+ATOM   2684  CA  PHE A 336      16.286 -19.211 -11.897  1.00 86.03           C  
+ATOM   2685  C   PHE A 336      16.091 -20.716 -11.765  1.00 86.03           C  
+ATOM   2686  CB  PHE A 336      15.174 -18.612 -12.764  1.00 86.03           C  
+ATOM   2687  O   PHE A 336      15.483 -21.186 -10.801  1.00 86.03           O  
+ATOM   2688  CG  PHE A 336      13.844 -18.519 -12.066  1.00 86.03           C  
+ATOM   2689  CD1 PHE A 336      12.846 -19.452 -12.317  1.00 86.03           C  
+ATOM   2690  CD2 PHE A 336      13.593 -17.498 -11.159  1.00 86.03           C  
+ATOM   2691  CE1 PHE A 336      11.613 -19.368 -11.673  1.00 86.03           C  
+ATOM   2692  CE2 PHE A 336      12.364 -17.408 -10.511  1.00 86.03           C  
+ATOM   2693  CZ  PHE A 336      11.375 -18.344 -10.770  1.00 86.03           C  
+ATOM   2694  N   ASP A 337      16.537 -21.539 -12.710  1.00 86.48           N  
+ATOM   2695  CA  ASP A 337      16.521 -22.993 -12.587  1.00 86.48           C  
+ATOM   2696  C   ASP A 337      17.279 -23.447 -11.342  1.00 86.48           C  
+ATOM   2697  CB  ASP A 337      17.121 -23.644 -13.835  1.00 86.48           C  
+ATOM   2698  O   ASP A 337      16.833 -24.352 -10.633  1.00 86.48           O  
+ATOM   2699  CG  ASP A 337      16.195 -23.586 -15.037  1.00 86.48           C  
+ATOM   2700  OD1 ASP A 337      14.999 -23.264 -14.871  1.00 86.48           O  
+ATOM   2701  OD2 ASP A 337      16.665 -23.868 -16.160  1.00 86.48           O  
+ATOM   2702  N   ALA A 338      18.395 -22.853 -11.068  1.00 83.03           N  
+ATOM   2703  CA  ALA A 338      19.231 -23.156  -9.909  1.00 83.03           C  
+ATOM   2704  C   ALA A 338      18.533 -22.761  -8.611  1.00 83.03           C  
+ATOM   2705  CB  ALA A 338      20.577 -22.445 -10.023  1.00 83.03           C  
+ATOM   2706  O   ALA A 338      18.566 -23.507  -7.629  1.00 83.03           O  
+ATOM   2707  N   VAL A 339      17.839 -21.604  -8.582  1.00 81.20           N  
+ATOM   2708  CA  VAL A 339      17.129 -21.061  -7.429  1.00 81.20           C  
+ATOM   2709  C   VAL A 339      15.921 -21.937  -7.107  1.00 81.20           C  
+ATOM   2710  CB  VAL A 339      16.679 -19.603  -7.674  1.00 81.20           C  
+ATOM   2711  O   VAL A 339      15.641 -22.215  -5.938  1.00 81.20           O  
+ATOM   2712  CG1 VAL A 339      15.725 -19.140  -6.575  1.00 81.20           C  
+ATOM   2713  CG2 VAL A 339      17.892 -18.678  -7.757  1.00 81.20           C  
+ATOM   2714  N   THR A 340      15.205 -22.390  -8.148  1.00 81.05           N  
+ATOM   2715  CA  THR A 340      14.025 -23.238  -8.014  1.00 81.05           C  
+ATOM   2716  C   THR A 340      14.398 -24.592  -7.415  1.00 81.05           C  
+ATOM   2717  CB  THR A 340      13.330 -23.448  -9.372  1.00 81.05           C  
+ATOM   2718  O   THR A 340      13.658 -25.137  -6.593  1.00 81.05           O  
+ATOM   2719  CG2 THR A 340      12.041 -24.248  -9.212  1.00 81.05           C  
+ATOM   2720  OG1 THR A 340      13.020 -22.173  -9.946  1.00 81.05           O  
+ATOM   2721  N   ASP A 341      15.502 -25.088  -7.708  1.00 78.30           N  
+ATOM   2722  CA  ASP A 341      15.999 -26.345  -7.155  1.00 78.30           C  
+ATOM   2723  C   ASP A 341      16.277 -26.215  -5.659  1.00 78.30           C  
+ATOM   2724  CB  ASP A 341      17.266 -26.790  -7.888  1.00 78.30           C  
+ATOM   2725  O   ASP A 341      15.993 -27.134  -4.887  1.00 78.30           O  
+ATOM   2726  CG  ASP A 341      16.986 -27.330  -9.280  1.00 78.30           C  
+ATOM   2727  OD1 ASP A 341      15.818 -27.651  -9.587  1.00 78.30           O  
+ATOM   2728  OD2 ASP A 341      17.944 -27.439 -10.076  1.00 78.30           O  
+ATOM   2729  N   VAL A 342      16.729 -25.074  -5.279  1.00 73.46           N  
+ATOM   2730  CA  VAL A 342      17.050 -24.762  -3.890  1.00 73.46           C  
+ATOM   2731  C   VAL A 342      15.762 -24.561  -3.094  1.00 73.46           C  
+ATOM   2732  CB  VAL A 342      17.944 -23.507  -3.782  1.00 73.46           C  
+ATOM   2733  O   VAL A 342      15.639 -25.045  -1.967  1.00 73.46           O  
+ATOM   2734  CG1 VAL A 342      18.113 -23.088  -2.322  1.00 73.46           C  
+ATOM   2735  CG2 VAL A 342      19.304 -23.764  -4.429  1.00 73.46           C  
+ATOM   2736  N   ILE A 343      14.779 -23.888  -3.690  1.00 74.52           N  
+ATOM   2737  CA  ILE A 343      13.496 -23.562  -3.076  1.00 74.52           C  
+ATOM   2738  C   ILE A 343      12.669 -24.834  -2.904  1.00 74.52           C  
+ATOM   2739  CB  ILE A 343      12.716 -22.524  -3.914  1.00 74.52           C  
+ATOM   2740  O   ILE A 343      12.044 -25.040  -1.861  1.00 74.52           O  
+ATOM   2741  CG1 ILE A 343      13.455 -21.181  -3.922  1.00 74.52           C  
+ATOM   2742  CG2 ILE A 343      11.290 -22.362  -3.380  1.00 74.52           C  
+ATOM   2743  CD1 ILE A 343      12.859 -20.153  -4.874  1.00 74.52           C  
+ATOM   2744  N   ILE A 344      12.750 -25.708  -3.836  1.00 71.80           N  
+ATOM   2745  CA  ILE A 344      12.033 -26.978  -3.837  1.00 71.80           C  
+ATOM   2746  C   ILE A 344      12.668 -27.929  -2.825  1.00 71.80           C  
+ATOM   2747  CB  ILE A 344      12.023 -27.620  -5.243  1.00 71.80           C  
+ATOM   2748  O   ILE A 344      11.962 -28.640  -2.104  1.00 71.80           O  
+ATOM   2749  CG1 ILE A 344      11.192 -26.772  -6.211  1.00 71.80           C  
+ATOM   2750  CG2 ILE A 344      11.492 -29.055  -5.177  1.00 71.80           C  
+ATOM   2751  CD1 ILE A 344      11.239 -27.254  -7.655  1.00 71.80           C  
+ATOM   2752  N   LYS A 345      13.939 -27.963  -2.689  1.00 69.40           N  
+ATOM   2753  CA  LYS A 345      14.673 -28.787  -1.734  1.00 69.40           C  
+ATOM   2754  C   LYS A 345      14.355 -28.381  -0.298  1.00 69.40           C  
+ATOM   2755  CB  LYS A 345      16.179 -28.687  -1.984  1.00 69.40           C  
+ATOM   2756  O   LYS A 345      14.173 -29.238   0.570  1.00 69.40           O  
+ATOM   2757  CG  LYS A 345      16.678 -29.573  -3.117  1.00 69.40           C  
+ATOM   2758  CD  LYS A 345      18.195 -29.526  -3.236  1.00 69.40           C  
+ATOM   2759  CE  LYS A 345      18.692 -30.369  -4.402  1.00 69.40           C  
+ATOM   2760  NZ  LYS A 345      20.178 -30.304  -4.540  1.00 69.40           N  
+ATOM   2761  N   ASN A 346      14.140 -27.089  -0.026  1.00 66.03           N  
+ATOM   2762  CA  ASN A 346      13.886 -26.542   1.303  1.00 66.03           C  
+ATOM   2763  C   ASN A 346      12.412 -26.648   1.681  1.00 66.03           C  
+ATOM   2764  CB  ASN A 346      14.352 -25.087   1.382  1.00 66.03           C  
+ATOM   2765  O   ASN A 346      12.078 -26.819   2.855  1.00 66.03           O  
+ATOM   2766  CG  ASN A 346      15.857 -24.962   1.513  1.00 66.03           C  
+ATOM   2767  ND2 ASN A 346      16.382 -23.778   1.219  1.00 66.03           N  
+ATOM   2768  OD1 ASN A 346      16.543 -25.921   1.875  1.00 66.03           O  
+ATOM   2769  N   ASN A 347      11.473 -26.546   0.666  1.00 61.66           N  
+ATOM   2770  CA  ASN A 347      10.029 -26.669   0.833  1.00 61.66           C  
+ATOM   2771  C   ASN A 347       9.605 -28.126   0.991  1.00 61.66           C  
+ATOM   2772  CB  ASN A 347       9.296 -26.028  -0.347  1.00 61.66           C  
+ATOM   2773  O   ASN A 347       8.637 -28.422   1.695  1.00 61.66           O  
+ATOM   2774  CG  ASN A 347       8.942 -24.575  -0.095  1.00 61.66           C  
+ATOM   2775  ND2 ASN A 347       8.977 -23.765  -1.147  1.00 61.66           N  
+ATOM   2776  OD1 ASN A 347       8.640 -24.184   1.035  1.00 61.66           O  
+ATOM   2777  N   LEU A 348      10.326 -29.117   0.467  1.00 56.23           N  
+ATOM   2778  CA  LEU A 348      10.125 -30.558   0.578  1.00 56.23           C  
+ATOM   2779  C   LEU A 348      10.685 -31.084   1.895  1.00 56.23           C  
+ATOM   2780  CB  LEU A 348      10.786 -31.283  -0.597  1.00 56.23           C  
+ATOM   2781  O   LEU A 348      10.185 -32.074   2.435  1.00 56.23           O  
+ATOM   2782  CG  LEU A 348      10.096 -31.143  -1.955  1.00 56.23           C  
+ATOM   2783  CD1 LEU A 348      10.994 -31.682  -3.064  1.00 56.23           C  
+ATOM   2784  CD2 LEU A 348       8.753 -31.864  -1.950  1.00 56.23           C  
+ATOM   2785  N   LYS A 349      11.654 -30.412   2.554  1.00 53.94           N  
+ATOM   2786  CA  LYS A 349      12.165 -30.708   3.890  1.00 53.94           C  
+ATOM   2787  C   LYS A 349      11.146 -30.336   4.963  1.00 53.94           C  
+ATOM   2788  CB  LYS A 349      13.481 -29.969   4.137  1.00 53.94           C  
+ATOM   2789  O   LYS A 349      11.007 -31.040   5.965  1.00 53.94           O  
+ATOM   2790  CG  LYS A 349      14.700 -30.659   3.544  1.00 53.94           C  
+ATOM   2791  CD  LYS A 349      15.990 -29.954   3.941  1.00 53.94           C  
+ATOM   2792  CE  LYS A 349      17.202 -30.582   3.265  1.00 53.94           C  
+ATOM   2793  NZ  LYS A 349      18.468 -29.884   3.638  1.00 53.94           N  
+ATOM   2794  N   ASP A 350      10.211 -29.352   4.725  1.00 46.37           N  
+ATOM   2795  CA  ASP A 350       9.164 -28.834   5.600  1.00 46.37           C  
+ATOM   2796  C   ASP A 350       7.886 -29.661   5.476  1.00 46.37           C  
+ATOM   2797  CB  ASP A 350       8.874 -27.366   5.280  1.00 46.37           C  
+ATOM   2798  O   ASP A 350       7.099 -29.742   6.422  1.00 46.37           O  
+ATOM   2799  CG  ASP A 350       9.939 -26.422   5.810  1.00 46.37           C  
+ATOM   2800  OD1 ASP A 350      10.735 -26.829   6.684  1.00 46.37           O  
+ATOM   2801  OD2 ASP A 350       9.980 -25.259   5.353  1.00 46.37           O  
+ATOM   2802  N   CYS A 351       7.785 -30.570   4.419  1.00 41.01           N  
+ATOM   2803  CA  CYS A 351       6.660 -31.465   4.172  1.00 41.01           C  
+ATOM   2804  C   CYS A 351       7.013 -32.901   4.543  1.00 41.01           C  
+ATOM   2805  CB  CYS A 351       6.233 -31.398   2.706  1.00 41.01           C  
+ATOM   2806  O   CYS A 351       6.165 -33.792   4.469  1.00 41.01           O  
+ATOM   2807  SG  CYS A 351       5.627 -29.774   2.198  1.00 41.01           S  
+ATOM   2808  N   GLY A 352       8.238 -33.200   5.314  1.00 30.46           N  
+ATOM   2809  CA  GLY A 352       8.569 -34.516   5.835  1.00 30.46           C  
+ATOM   2810  C   GLY A 352       8.898 -35.523   4.749  1.00 30.46           C  
+ATOM   2811  O   GLY A 352       8.871 -36.732   4.987  1.00 30.46           O  
+ATOM   2812  N   LEU A 353       9.243 -35.210   3.512  1.00 32.77           N  
+ATOM   2813  CA  LEU A 353       9.611 -36.112   2.426  1.00 32.77           C  
+ATOM   2814  C   LEU A 353      11.115 -36.079   2.178  1.00 32.77           C  
+ATOM   2815  CB  LEU A 353       8.862 -35.740   1.144  1.00 32.77           C  
+ATOM   2816  O   LEU A 353      11.645 -36.911   1.438  1.00 32.77           O  
+ATOM   2817  CG  LEU A 353       7.398 -36.175   1.063  1.00 32.77           C  
+ATOM   2818  CD1 LEU A 353       6.642 -35.307   0.062  1.00 32.77           C  
+ATOM   2819  CD2 LEU A 353       7.298 -37.648   0.683  1.00 32.77           C  
+ATOM   2820  N   PHE A 354      11.959 -35.967   3.262  1.00 34.31           N  
+ATOM   2821  CA  PHE A 354      13.367 -36.295   3.454  1.00 34.31           C  
+ATOM   2822  C   PHE A 354      13.701 -36.398   4.937  1.00 34.31           C  
+ATOM   2823  CB  PHE A 354      14.261 -35.246   2.786  1.00 34.31           C  
+ATOM   2824  O   PHE A 354      13.112 -35.696   5.762  1.00 34.31           O  
+ATOM   2825  CG  PHE A 354      14.182 -35.249   1.283  1.00 34.31           C  
+ATOM   2826  CD1 PHE A 354      14.918 -36.160   0.536  1.00 34.31           C  
+ATOM   2827  CD2 PHE A 354      13.370 -34.340   0.617  1.00 34.31           C  
+ATOM   2828  CE1 PHE A 354      14.847 -36.165  -0.855  1.00 34.31           C  
+ATOM   2829  CE2 PHE A 354      13.293 -34.339  -0.773  1.00 34.31           C  
+ATOM   2830  CZ  PHE A 354      14.033 -35.251  -1.507  1.00 34.31           C  
+ATOM   2831  N   MET B 555      18.568  33.210  12.223  1.00 56.77           N  
+ATOM   2832  CA  MET B 555      17.338  32.431  12.323  1.00 56.77           C  
+ATOM   2833  C   MET B 555      16.503  32.567  11.054  1.00 56.77           C  
+ATOM   2834  CB  MET B 555      16.519  32.871  13.538  1.00 56.77           C  
+ATOM   2835  O   MET B 555      16.222  33.681  10.607  1.00 56.77           O  
+ATOM   2836  CG  MET B 555      16.136  31.729  14.465  1.00 56.77           C  
+ATOM   2837  SD  MET B 555      15.081  32.281  15.861  1.00 56.77           S  
+ATOM   2838  CE  MET B 555      16.273  33.293  16.782  1.00 56.77           C  
+ATOM   2839  N   SER B 556      16.410  31.567  10.141  1.00 81.18           N  
+ATOM   2840  CA  SER B 556      15.705  31.482   8.866  1.00 81.18           C  
+ATOM   2841  C   SER B 556      14.236  31.861   9.020  1.00 81.18           C  
+ATOM   2842  CB  SER B 556      15.819  30.072   8.284  1.00 81.18           C  
+ATOM   2843  O   SER B 556      13.683  31.790  10.119  1.00 81.18           O  
+ATOM   2844  OG  SER B 556      14.934  29.183   8.944  1.00 81.18           O  
+ATOM   2845  N   GLU B 557      13.648  32.814   8.309  1.00 83.15           N  
+ATOM   2846  CA  GLU B 557      12.237  33.166   8.178  1.00 83.15           C  
+ATOM   2847  C   GLU B 557      11.340  31.966   8.464  1.00 83.15           C  
+ATOM   2848  CB  GLU B 557      11.949  33.718   6.779  1.00 83.15           C  
+ATOM   2849  O   GLU B 557      10.295  32.104   9.104  1.00 83.15           O  
+ATOM   2850  CG  GLU B 557      10.613  34.437   6.665  1.00 83.15           C  
+ATOM   2851  CD  GLU B 557      10.381  35.059   5.297  1.00 83.15           C  
+ATOM   2852  OE1 GLU B 557       9.300  35.651   5.074  1.00 83.15           O  
+ATOM   2853  OE2 GLU B 557      11.287  34.952   4.440  1.00 83.15           O  
+ATOM   2854  N   LEU B 558      11.701  30.825   8.163  1.00 79.35           N  
+ATOM   2855  CA  LEU B 558      10.991  29.578   8.425  1.00 79.35           C  
+ATOM   2856  C   LEU B 558      11.053  29.218   9.905  1.00 79.35           C  
+ATOM   2857  CB  LEU B 558      11.578  28.440   7.586  1.00 79.35           C  
+ATOM   2858  O   LEU B 558      10.060  28.764  10.480  1.00 79.35           O  
+ATOM   2859  CG  LEU B 558      10.663  27.241   7.335  1.00 79.35           C  
+ATOM   2860  CD1 LEU B 558      10.221  27.207   5.876  1.00 79.35           C  
+ATOM   2861  CD2 LEU B 558      11.366  25.942   7.717  1.00 79.35           C  
+ATOM   2862  N   ASP B 559      12.141  29.434  10.540  1.00 82.36           N  
+ATOM   2863  CA  ASP B 559      12.327  29.188  11.966  1.00 82.36           C  
+ATOM   2864  C   ASP B 559      11.518  30.176  12.804  1.00 82.36           C  
+ATOM   2865  CB  ASP B 559      13.809  29.273  12.337  1.00 82.36           C  
+ATOM   2866  O   ASP B 559      10.947  29.804  13.832  1.00 82.36           O  
+ATOM   2867  CG  ASP B 559      14.601  28.054  11.899  1.00 82.36           C  
+ATOM   2868  OD1 ASP B 559      13.997  26.982  11.677  1.00 82.36           O  
+ATOM   2869  OD2 ASP B 559      15.840  28.165  11.778  1.00 82.36           O  
+ATOM   2870  N   GLN B 560      11.340  31.374  12.372  1.00 84.42           N  
+ATOM   2871  CA  GLN B 560      10.521  32.408  12.997  1.00 84.42           C  
+ATOM   2872  C   GLN B 560       9.035  32.082  12.873  1.00 84.42           C  
+ATOM   2873  CB  GLN B 560      10.813  33.774  12.375  1.00 84.42           C  
+ATOM   2874  O   GLN B 560       8.275  32.253  13.829  1.00 84.42           O  
+ATOM   2875  CG  GLN B 560      12.144  34.375  12.806  1.00 84.42           C  
+ATOM   2876  CD  GLN B 560      12.435  35.702  12.132  1.00 84.42           C  
+ATOM   2877  NE2 GLN B 560      13.613  36.257  12.397  1.00 84.42           N  
+ATOM   2878  OE1 GLN B 560      11.608  36.225  11.378  1.00 84.42           O  
+ATOM   2879  N   LEU B 561       8.643  31.630  11.759  1.00 88.17           N  
+ATOM   2880  CA  LEU B 561       7.260  31.233  11.521  1.00 88.17           C  
+ATOM   2881  C   LEU B 561       6.899  30.002  12.346  1.00 88.17           C  
+ATOM   2882  CB  LEU B 561       7.031  30.951  10.034  1.00 88.17           C  
+ATOM   2883  O   LEU B 561       5.781  29.896  12.856  1.00 88.17           O  
+ATOM   2884  CG  LEU B 561       6.936  32.172   9.119  1.00 88.17           C  
+ATOM   2885  CD1 LEU B 561       6.898  31.738   7.658  1.00 88.17           C  
+ATOM   2886  CD2 LEU B 561       5.708  33.007   9.466  1.00 88.17           C  
+ATOM   2887  N   ARG B 562       7.796  29.075  12.506  1.00 83.09           N  
+ATOM   2888  CA  ARG B 562       7.590  27.890  13.331  1.00 83.09           C  
+ATOM   2889  C   ARG B 562       7.408  28.268  14.798  1.00 83.09           C  
+ATOM   2890  CB  ARG B 562       8.764  26.920  13.182  1.00 83.09           C  
+ATOM   2891  O   ARG B 562       6.546  27.715  15.484  1.00 83.09           O  
+ATOM   2892  CG  ARG B 562       8.709  26.075  11.919  1.00 83.09           C  
+ATOM   2893  CD  ARG B 562       9.851  25.070  11.863  1.00 83.09           C  
+ATOM   2894  NE  ARG B 562       9.823  24.291  10.628  1.00 83.09           N  
+ATOM   2895  NH1 ARG B 562      11.818  23.197  11.029  1.00 83.09           N  
+ATOM   2896  NH2 ARG B 562      10.632  22.764   9.115  1.00 83.09           N  
+ATOM   2897  CZ  ARG B 562      10.758  23.419  10.260  1.00 83.09           C  
+ATOM   2898  N   GLN B 563       8.259  29.166  15.224  1.00 86.49           N  
+ATOM   2899  CA  GLN B 563       8.179  29.646  16.599  1.00 86.49           C  
+ATOM   2900  C   GLN B 563       6.867  30.386  16.847  1.00 86.49           C  
+ATOM   2901  CB  GLN B 563       9.364  30.557  16.921  1.00 86.49           C  
+ATOM   2902  O   GLN B 563       6.238  30.211  17.893  1.00 86.49           O  
+ATOM   2903  CG  GLN B 563      10.639  29.804  17.277  1.00 86.49           C  
+ATOM   2904  CD  GLN B 563      11.803  30.730  17.576  1.00 86.49           C  
+ATOM   2905  NE2 GLN B 563      12.977  30.151  17.806  1.00 86.49           N  
+ATOM   2906  OE1 GLN B 563      11.649  31.955  17.599  1.00 86.49           O  
+ATOM   2907  N   GLU B 564       6.514  31.209  15.955  1.00 91.18           N  
+ATOM   2908  CA  GLU B 564       5.247  31.929  16.035  1.00 91.18           C  
+ATOM   2909  C   GLU B 564       4.064  30.965  16.048  1.00 91.18           C  
+ATOM   2910  CB  GLU B 564       5.112  32.911  14.869  1.00 91.18           C  
+ATOM   2911  O   GLU B 564       3.108  31.157  16.803  1.00 91.18           O  
+ATOM   2912  CG  GLU B 564       3.946  33.879  15.012  1.00 91.18           C  
+ATOM   2913  CD  GLU B 564       3.850  34.876  13.868  1.00 91.18           C  
+ATOM   2914  OE1 GLU B 564       2.884  35.672  13.836  1.00 91.18           O  
+ATOM   2915  OE2 GLU B 564       4.747  34.860  12.996  1.00 91.18           O  
+ATOM   2916  N   ALA B 565       4.047  30.031  15.179  1.00 85.89           N  
+ATOM   2917  CA  ALA B 565       3.009  29.004  15.125  1.00 85.89           C  
+ATOM   2918  C   ALA B 565       2.888  28.277  16.461  1.00 85.89           C  
+ATOM   2919  CB  ALA B 565       3.303  28.009  14.005  1.00 85.89           C  
+ATOM   2920  O   ALA B 565       1.779  28.042  16.949  1.00 85.89           O  
+ATOM   2921  N   GLU B 566       3.994  27.893  17.019  1.00 85.87           N  
+ATOM   2922  CA  GLU B 566       4.024  27.209  18.308  1.00 85.87           C  
+ATOM   2923  C   GLU B 566       3.447  28.087  19.414  1.00 85.87           C  
+ATOM   2924  CB  GLU B 566       5.454  26.791  18.661  1.00 85.87           C  
+ATOM   2925  O   GLU B 566       2.720  27.602  20.283  1.00 85.87           O  
+ATOM   2926  CG  GLU B 566       5.542  25.836  19.843  1.00 85.87           C  
+ATOM   2927  CD  GLU B 566       4.794  24.532  19.618  1.00 85.87           C  
+ATOM   2928  OE1 GLU B 566       4.395  23.882  20.611  1.00 85.87           O  
+ATOM   2929  OE2 GLU B 566       4.605  24.157  18.439  1.00 85.87           O  
+ATOM   2930  N   GLN B 567       3.801  29.373  19.438  1.00 90.55           N  
+ATOM   2931  CA  GLN B 567       3.260  30.329  20.398  1.00 90.55           C  
+ATOM   2932  C   GLN B 567       1.743  30.435  20.273  1.00 90.55           C  
+ATOM   2933  CB  GLN B 567       3.900  31.704  20.207  1.00 90.55           C  
+ATOM   2934  O   GLN B 567       1.032  30.466  21.280  1.00 90.55           O  
+ATOM   2935  CG  GLN B 567       3.582  32.691  21.322  1.00 90.55           C  
+ATOM   2936  CD  GLN B 567       4.232  34.046  21.110  1.00 90.55           C  
+ATOM   2937  NE2 GLN B 567       3.970  34.978  22.020  1.00 90.55           N  
+ATOM   2938  OE1 GLN B 567       4.964  34.253  20.137  1.00 90.55           O  
+ATOM   2939  N   LEU B 568       1.243  30.530  19.100  1.00 90.32           N  
+ATOM   2940  CA  LEU B 568      -0.190  30.610  18.841  1.00 90.32           C  
+ATOM   2941  C   LEU B 568      -0.900  29.347  19.317  1.00 90.32           C  
+ATOM   2942  CB  LEU B 568      -0.454  30.826  17.348  1.00 90.32           C  
+ATOM   2943  O   LEU B 568      -1.996  29.419  19.878  1.00 90.32           O  
+ATOM   2944  CG  LEU B 568      -0.200  32.236  16.812  1.00 90.32           C  
+ATOM   2945  CD1 LEU B 568      -0.252  32.240  15.288  1.00 90.32           C  
+ATOM   2946  CD2 LEU B 568      -1.214  33.218  17.389  1.00 90.32           C  
+ATOM   2947  N   LYS B 569      -0.310  28.215  19.078  1.00 84.04           N  
+ATOM   2948  CA  LYS B 569      -0.866  26.946  19.540  1.00 84.04           C  
+ATOM   2949  C   LYS B 569      -1.012  26.931  21.059  1.00 84.04           C  
+ATOM   2950  CB  LYS B 569       0.011  25.779  19.086  1.00 84.04           C  
+ATOM   2951  O   LYS B 569      -2.030  26.477  21.585  1.00 84.04           O  
+ATOM   2952  CG  LYS B 569      -0.165  25.404  17.622  1.00 84.04           C  
+ATOM   2953  CD  LYS B 569       0.677  24.191  17.250  1.00 84.04           C  
+ATOM   2954  CE  LYS B 569       0.530  23.838  15.776  1.00 84.04           C  
+ATOM   2955  NZ  LYS B 569       1.401  22.687  15.392  1.00 84.04           N  
+ATOM   2956  N   ASN B 570       0.026  27.426  21.768  1.00 86.28           N  
+ATOM   2957  CA  ASN B 570      -0.008  27.502  23.225  1.00 86.28           C  
+ATOM   2958  C   ASN B 570      -1.102  28.447  23.712  1.00 86.28           C  
+ATOM   2959  CB  ASN B 570       1.353  27.937  23.772  1.00 86.28           C  
+ATOM   2960  O   ASN B 570      -1.779  28.164  24.702  1.00 86.28           O  
+ATOM   2961  CG  ASN B 570       2.394  26.838  23.691  1.00 86.28           C  
+ATOM   2962  ND2 ASN B 570       3.664  27.222  23.705  1.00 86.28           N  
+ATOM   2963  OD1 ASN B 570       2.058  25.653  23.616  1.00 86.28           O  
+ATOM   2964  N   GLN B 571      -1.276  29.562  23.044  1.00 89.81           N  
+ATOM   2965  CA  GLN B 571      -2.314  30.529  23.386  1.00 89.81           C  
+ATOM   2966  C   GLN B 571      -3.705  29.919  23.240  1.00 89.81           C  
+ATOM   2967  CB  GLN B 571      -2.194  31.778  22.512  1.00 89.81           C  
+ATOM   2968  O   GLN B 571      -4.580  30.147  24.077  1.00 89.81           O  
+ATOM   2969  CG  GLN B 571      -1.010  32.667  22.869  1.00 89.81           C  
+ATOM   2970  CD  GLN B 571      -0.868  33.857  21.938  1.00 89.81           C  
+ATOM   2971  NE2 GLN B 571       0.199  34.627  22.119  1.00 89.81           N  
+ATOM   2972  OE1 GLN B 571      -1.710  34.081  21.063  1.00 89.81           O  
+ATOM   2973  N   ILE B 572      -3.912  29.213  22.170  1.00 85.32           N  
+ATOM   2974  CA  ILE B 572      -5.185  28.551  21.906  1.00 85.32           C  
+ATOM   2975  C   ILE B 572      -5.463  27.515  22.993  1.00 85.32           C  
+ATOM   2976  CB  ILE B 572      -5.198  27.884  20.513  1.00 85.32           C  
+ATOM   2977  O   ILE B 572      -6.586  27.418  23.495  1.00 85.32           O  
+ATOM   2978  CG1 ILE B 572      -5.208  28.949  19.411  1.00 85.32           C  
+ATOM   2979  CG2 ILE B 572      -6.397  26.941  20.376  1.00 85.32           C  
+ATOM   2980  CD1 ILE B 572      -5.024  28.388  18.007  1.00 85.32           C  
+ATOM   2981  N   ARG B 573      -4.412  26.778  23.328  1.00 83.23           N  
+ATOM   2982  CA  ARG B 573      -4.542  25.775  24.380  1.00 83.23           C  
+ATOM   2983  C   ARG B 573      -4.961  26.416  25.699  1.00 83.23           C  
+ATOM   2984  CB  ARG B 573      -3.227  25.013  24.562  1.00 83.23           C  
+ATOM   2985  O   ARG B 573      -5.844  25.905  26.391  1.00 83.23           O  
+ATOM   2986  CG  ARG B 573      -3.320  23.848  25.534  1.00 83.23           C  
+ATOM   2987  CD  ARG B 573      -1.966  23.189  25.755  1.00 83.23           C  
+ATOM   2988  NE  ARG B 573      -1.351  22.785  24.493  1.00 83.23           N  
+ATOM   2989  NH1 ARG B 573       0.596  21.998  25.456  1.00 83.23           N  
+ATOM   2990  NH2 ARG B 573       0.314  21.901  23.183  1.00 83.23           N  
+ATOM   2991  CZ  ARG B 573      -0.148  22.229  24.380  1.00 83.23           C  
+ATOM   2992  N   ASP B 574      -4.321  27.512  26.068  1.00 86.88           N  
+ATOM   2993  CA  ASP B 574      -4.631  28.230  27.300  1.00 86.88           C  
+ATOM   2994  C   ASP B 574      -6.055  28.781  27.272  1.00 86.88           C  
+ATOM   2995  CB  ASP B 574      -3.632  29.368  27.524  1.00 86.88           C  
+ATOM   2996  O   ASP B 574      -6.767  28.726  28.276  1.00 86.88           O  
+ATOM   2997  CG  ASP B 574      -2.249  28.875  27.913  1.00 86.88           C  
+ATOM   2998  OD1 ASP B 574      -2.114  27.703  28.327  1.00 86.88           O  
+ATOM   2999  OD2 ASP B 574      -1.287  29.666  27.809  1.00 86.88           O  
+ATOM   3000  N   ALA B 575      -6.428  29.307  26.144  1.00 87.42           N  
+ATOM   3001  CA  ALA B 575      -7.779  29.837  25.979  1.00 87.42           C  
+ATOM   3002  C   ALA B 575      -8.823  28.735  26.132  1.00 87.42           C  
+ATOM   3003  CB  ALA B 575      -7.922  30.515  24.619  1.00 87.42           C  
+ATOM   3004  O   ALA B 575      -9.875  28.947  26.740  1.00 87.42           O  
+ATOM   3005  N   ARG B 576      -8.562  27.582  25.578  1.00 83.39           N  
+ATOM   3006  CA  ARG B 576      -9.457  26.434  25.683  1.00 83.39           C  
+ATOM   3007  C   ARG B 576      -9.605  25.986  27.133  1.00 83.39           C  
+ATOM   3008  CB  ARG B 576      -8.948  25.274  24.825  1.00 83.39           C  
+ATOM   3009  O   ARG B 576     -10.711  25.684  27.585  1.00 83.39           O  
+ATOM   3010  CG  ARG B 576      -9.179  25.462  23.334  1.00 83.39           C  
+ATOM   3011  CD  ARG B 576      -8.678  24.270  22.531  1.00 83.39           C  
+ATOM   3012  NE  ARG B 576      -9.014  24.395  21.116  1.00 83.39           N  
+ATOM   3013  NH1 ARG B 576      -7.862  22.501  20.463  1.00 83.39           N  
+ATOM   3014  NH2 ARG B 576      -8.982  23.760  18.909  1.00 83.39           N  
+ATOM   3015  CZ  ARG B 576      -8.618  23.552  20.166  1.00 83.39           C  
+ATOM   3016  N   LYS B 577      -8.458  25.956  27.830  1.00 84.03           N  
+ATOM   3017  CA  LYS B 577      -8.457  25.572  29.238  1.00 84.03           C  
+ATOM   3018  C   LYS B 577      -9.256  26.564  30.079  1.00 84.03           C  
+ATOM   3019  CB  LYS B 577      -7.026  25.471  29.767  1.00 84.03           C  
+ATOM   3020  O   LYS B 577      -9.971  26.168  31.003  1.00 84.03           O  
+ATOM   3021  CG  LYS B 577      -6.317  24.178  29.390  1.00 84.03           C  
+ATOM   3022  CD  LYS B 577      -4.936  24.092  30.027  1.00 84.03           C  
+ATOM   3023  CE  LYS B 577      -4.197  22.833  29.594  1.00 84.03           C  
+ATOM   3024  NZ  LYS B 577      -2.823  22.770  30.176  1.00 84.03           N  
+ATOM   3025  N   ALA B 578      -9.163  27.824  29.754  1.00 86.28           N  
+ATOM   3026  CA  ALA B 578      -9.836  28.884  30.501  1.00 86.28           C  
+ATOM   3027  C   ALA B 578     -11.351  28.784  30.348  1.00 86.28           C  
+ATOM   3028  CB  ALA B 578      -9.347  30.254  30.039  1.00 86.28           C  
+ATOM   3029  O   ALA B 578     -12.098  29.135  31.264  1.00 86.28           O  
+ATOM   3030  N   CYS B 579     -11.832  28.281  29.199  1.00 85.19           N  
+ATOM   3031  CA  CYS B 579     -13.257  28.222  28.890  1.00 85.19           C  
+ATOM   3032  C   CYS B 579     -13.848  26.878  29.300  1.00 85.19           C  
+ATOM   3033  CB  CYS B 579     -13.493  28.459  27.399  1.00 85.19           C  
+ATOM   3034  O   CYS B 579     -15.058  26.670  29.197  1.00 85.19           O  
+ATOM   3035  SG  CYS B 579     -13.030  30.115  26.844  1.00 85.19           S  
+ATOM   3036  N   ALA B 580     -12.992  25.895  29.753  1.00 83.70           N  
+ATOM   3037  CA  ALA B 580     -13.427  24.557  30.145  1.00 83.70           C  
+ATOM   3038  C   ALA B 580     -14.162  24.589  31.482  1.00 83.70           C  
+ATOM   3039  CB  ALA B 580     -12.233  23.610  30.221  1.00 83.70           C  
+ATOM   3040  O   ALA B 580     -13.564  24.888  32.519  1.00 83.70           O  
+ATOM   3041  N   ASP B 581     -15.455  24.466  31.580  1.00 86.86           N  
+ATOM   3042  CA  ASP B 581     -16.275  24.655  32.772  1.00 86.86           C  
+ATOM   3043  C   ASP B 581     -16.547  23.323  33.468  1.00 86.86           C  
+ATOM   3044  CB  ASP B 581     -17.596  25.339  32.412  1.00 86.86           C  
+ATOM   3045  O   ASP B 581     -16.854  23.291  34.661  1.00 86.86           O  
+ATOM   3046  CG  ASP B 581     -18.353  24.623  31.308  1.00 86.86           C  
+ATOM   3047  OD1 ASP B 581     -17.780  23.720  30.661  1.00 86.86           O  
+ATOM   3048  OD2 ASP B 581     -19.533  24.967  31.081  1.00 86.86           O  
+ATOM   3049  N   ALA B 582     -16.409  22.167  32.863  1.00 89.38           N  
+ATOM   3050  CA  ALA B 582     -16.656  20.853  33.452  1.00 89.38           C  
+ATOM   3051  C   ALA B 582     -16.005  19.749  32.624  1.00 89.38           C  
+ATOM   3052  CB  ALA B 582     -18.157  20.602  33.582  1.00 89.38           C  
+ATOM   3053  O   ALA B 582     -15.736  19.933  31.435  1.00 89.38           O  
+ATOM   3054  N   THR B 583     -15.676  18.641  33.240  1.00 90.86           N  
+ATOM   3055  CA  THR B 583     -15.204  17.454  32.535  1.00 90.86           C  
+ATOM   3056  C   THR B 583     -16.323  16.426  32.395  1.00 90.86           C  
+ATOM   3057  CB  THR B 583     -14.004  16.816  33.259  1.00 90.86           C  
+ATOM   3058  O   THR B 583     -17.317  16.481  33.122  1.00 90.86           O  
+ATOM   3059  CG2 THR B 583     -12.905  17.842  33.513  1.00 90.86           C  
+ATOM   3060  OG1 THR B 583     -14.441  16.279  34.514  1.00 90.86           O  
+ATOM   3061  N   LEU B 584     -16.234  15.614  31.367  1.00 91.85           N  
+ATOM   3062  CA  LEU B 584     -17.208  14.542  31.196  1.00 91.85           C  
+ATOM   3063  C   LEU B 584     -17.346  13.724  32.475  1.00 91.85           C  
+ATOM   3064  CB  LEU B 584     -16.803  13.630  30.034  1.00 91.85           C  
+ATOM   3065  O   LEU B 584     -18.454  13.330  32.848  1.00 91.85           O  
+ATOM   3066  CG  LEU B 584     -17.785  12.514  29.675  1.00 91.85           C  
+ATOM   3067  CD1 LEU B 584     -19.141  13.102  29.300  1.00 91.85           C  
+ATOM   3068  CD2 LEU B 584     -17.233  11.662  28.537  1.00 91.85           C  
+ATOM   3069  N   SER B 585     -16.261  13.529  33.206  1.00 91.58           N  
+ATOM   3070  CA  SER B 585     -16.263  12.788  34.463  1.00 91.58           C  
+ATOM   3071  C   SER B 585     -17.106  13.494  35.520  1.00 91.58           C  
+ATOM   3072  CB  SER B 585     -14.835  12.603  34.979  1.00 91.58           C  
+ATOM   3073  O   SER B 585     -17.857  12.849  36.254  1.00 91.58           O  
+ATOM   3074  OG  SER B 585     -14.830  11.881  36.199  1.00 91.58           O  
+ATOM   3075  N   GLN B 586     -16.995  14.823  35.582  1.00 93.00           N  
+ATOM   3076  CA  GLN B 586     -17.759  15.622  36.534  1.00 93.00           C  
+ATOM   3077  C   GLN B 586     -19.251  15.581  36.215  1.00 93.00           C  
+ATOM   3078  CB  GLN B 586     -17.263  17.068  36.542  1.00 93.00           C  
+ATOM   3079  O   GLN B 586     -20.080  15.448  37.117  1.00 93.00           O  
+ATOM   3080  CG  GLN B 586     -15.905  17.249  37.208  1.00 93.00           C  
+ATOM   3081  CD  GLN B 586     -15.311  18.624  36.965  1.00 93.00           C  
+ATOM   3082  NE2 GLN B 586     -14.399  19.038  37.838  1.00 93.00           N  
+ATOM   3083  OE1 GLN B 586     -15.668  19.308  36.001  1.00 93.00           O  
+ATOM   3084  N   ILE B 587     -19.573  15.600  34.935  1.00 92.59           N  
+ATOM   3085  CA  ILE B 587     -20.958  15.687  34.483  1.00 92.59           C  
+ATOM   3086  C   ILE B 587     -21.644  14.334  34.659  1.00 92.59           C  
+ATOM   3087  CB  ILE B 587     -21.043  16.143  33.009  1.00 92.59           C  
+ATOM   3088  O   ILE B 587     -22.842  14.271  34.941  1.00 92.59           O  
+ATOM   3089  CG1 ILE B 587     -20.553  17.589  32.868  1.00 92.59           C  
+ATOM   3090  CG2 ILE B 587     -22.473  15.996  32.480  1.00 92.59           C  
+ATOM   3091  CD1 ILE B 587     -20.431  18.063  31.426  1.00 92.59           C  
+ATOM   3092  N   THR B 588     -20.875  13.256  34.594  1.00 93.90           N  
+ATOM   3093  CA  THR B 588     -21.466  11.922  34.602  1.00 93.90           C  
+ATOM   3094  C   THR B 588     -21.263  11.248  35.956  1.00 93.90           C  
+ATOM   3095  CB  THR B 588     -20.868  11.040  33.491  1.00 93.90           C  
+ATOM   3096  O   THR B 588     -21.451  10.037  36.087  1.00 93.90           O  
+ATOM   3097  CG2 THR B 588     -21.158  11.621  32.111  1.00 93.90           C  
+ATOM   3098  OG1 THR B 588     -19.449  10.951  33.671  1.00 93.90           O  
+ATOM   3099  N   ASN B 589     -20.907  12.050  37.020  1.00 93.07           N  
+ATOM   3100  CA  ASN B 589     -20.586  11.515  38.338  1.00 93.07           C  
+ATOM   3101  C   ASN B 589     -21.762  10.747  38.934  1.00 93.07           C  
+ATOM   3102  CB  ASN B 589     -20.151  12.637  39.282  1.00 93.07           C  
+ATOM   3103  O   ASN B 589     -21.568   9.770  39.659  1.00 93.07           O  
+ATOM   3104  CG  ASN B 589     -19.573  12.116  40.583  1.00 93.07           C  
+ATOM   3105  ND2 ASN B 589     -19.753  12.873  41.658  1.00 93.07           N  
+ATOM   3106  OD1 ASN B 589     -18.968  11.041  40.621  1.00 93.07           O  
+ATOM   3107  N   ASN B 590     -23.012  11.145  38.602  1.00 94.32           N  
+ATOM   3108  CA  ASN B 590     -24.209  10.567  39.203  1.00 94.32           C  
+ATOM   3109  C   ASN B 590     -24.763   9.423  38.358  1.00 94.32           C  
+ATOM   3110  CB  ASN B 590     -25.279  11.642  39.409  1.00 94.32           C  
+ATOM   3111  O   ASN B 590     -25.782   8.825  38.708  1.00 94.32           O  
+ATOM   3112  CG  ASN B 590     -24.880  12.671  40.448  1.00 94.32           C  
+ATOM   3113  ND2 ASN B 590     -25.363  13.897  40.284  1.00 94.32           N  
+ATOM   3114  OD1 ASN B 590     -24.143  12.367  41.390  1.00 94.32           O  
+ATOM   3115  N   ILE B 591     -24.071   9.092  37.260  1.00 94.49           N  
+ATOM   3116  CA  ILE B 591     -24.469   7.994  36.386  1.00 94.49           C  
+ATOM   3117  C   ILE B 591     -23.747   6.714  36.803  1.00 94.49           C  
+ATOM   3118  CB  ILE B 591     -24.175   8.316  34.904  1.00 94.49           C  
+ATOM   3119  O   ILE B 591     -22.530   6.717  37.001  1.00 94.49           O  
+ATOM   3120  CG1 ILE B 591     -24.964   9.553  34.459  1.00 94.49           C  
+ATOM   3121  CG2 ILE B 591     -24.498   7.112  34.014  1.00 94.49           C  
+ATOM   3122  CD1 ILE B 591     -24.621  10.036  33.057  1.00 94.49           C  
+ATOM   3123  N   ASP B 592     -24.488   5.681  36.997  1.00 94.34           N  
+ATOM   3124  CA  ASP B 592     -23.902   4.400  37.379  1.00 94.34           C  
+ATOM   3125  C   ASP B 592     -23.029   3.840  36.258  1.00 94.34           C  
+ATOM   3126  CB  ASP B 592     -24.996   3.396  37.745  1.00 94.34           C  
+ATOM   3127  O   ASP B 592     -23.395   3.914  35.083  1.00 94.34           O  
+ATOM   3128  CG  ASP B 592     -25.711   3.744  39.039  1.00 94.34           C  
+ATOM   3129  OD1 ASP B 592     -25.078   4.321  39.950  1.00 94.34           O  
+ATOM   3130  OD2 ASP B 592     -26.917   3.436  39.151  1.00 94.34           O  
+ATOM   3131  N   PRO B 593     -21.791   3.303  36.681  1.00 93.33           N  
+ATOM   3132  CA  PRO B 593     -20.962   2.656  35.662  1.00 93.33           C  
+ATOM   3133  C   PRO B 593     -21.626   1.420  35.059  1.00 93.33           C  
+ATOM   3134  CB  PRO B 593     -19.694   2.275  36.429  1.00 93.33           C  
+ATOM   3135  O   PRO B 593     -22.461   0.784  35.708  1.00 93.33           O  
+ATOM   3136  CG  PRO B 593     -20.123   2.187  37.858  1.00 93.33           C  
+ATOM   3137  CD  PRO B 593     -21.302   3.096  38.058  1.00 93.33           C  
+ATOM   3138  N   VAL B 594     -21.313   1.212  33.818  1.00 93.82           N  
+ATOM   3139  CA  VAL B 594     -21.785  -0.008  33.172  1.00 93.82           C  
+ATOM   3140  C   VAL B 594     -21.129  -1.224  33.822  1.00 93.82           C  
+ATOM   3141  CB  VAL B 594     -21.496   0.006  31.654  1.00 93.82           C  
+ATOM   3142  O   VAL B 594     -19.916  -1.237  34.047  1.00 93.82           O  
+ATOM   3143  CG1 VAL B 594     -21.885  -1.327  31.018  1.00 93.82           C  
+ATOM   3144  CG2 VAL B 594     -22.238   1.159  30.981  1.00 93.82           C  
+ATOM   3145  N   GLY B 595     -21.889  -2.138  34.406  1.00 92.11           N  
+ATOM   3146  CA  GLY B 595     -21.344  -3.374  34.944  1.00 92.11           C  
+ATOM   3147  C   GLY B 595     -20.598  -4.196  33.910  1.00 92.11           C  
+ATOM   3148  O   GLY B 595     -20.414  -3.756  32.774  1.00 92.11           O  
+ATOM   3149  N   ARG B 596     -20.130  -5.374  34.315  1.00 92.63           N  
+ATOM   3150  CA  ARG B 596     -19.424  -6.302  33.438  1.00 92.63           C  
+ATOM   3151  C   ARG B 596     -20.329  -6.785  32.310  1.00 92.63           C  
+ATOM   3152  CB  ARG B 596     -18.894  -7.497  34.233  1.00 92.63           C  
+ATOM   3153  O   ARG B 596     -21.445  -7.247  32.557  1.00 92.63           O  
+ATOM   3154  CG  ARG B 596     -17.980  -8.412  33.434  1.00 92.63           C  
+ATOM   3155  CD  ARG B 596     -17.404  -9.527  34.296  1.00 92.63           C  
+ATOM   3156  NE  ARG B 596     -16.517 -10.397  33.530  1.00 92.63           N  
+ATOM   3157  NH1 ARG B 596     -16.092 -11.848  35.277  1.00 92.63           N  
+ATOM   3158  NH2 ARG B 596     -15.126 -12.200  33.228  1.00 92.63           N  
+ATOM   3159  CZ  ARG B 596     -15.914 -11.480  34.013  1.00 92.63           C  
+ATOM   3160  N   ILE B 597     -19.852  -6.515  31.048  1.00 91.98           N  
+ATOM   3161  CA  ILE B 597     -20.574  -6.937  29.853  1.00 91.98           C  
+ATOM   3162  C   ILE B 597     -19.949  -8.215  29.297  1.00 91.98           C  
+ATOM   3163  CB  ILE B 597     -20.579  -5.830  28.775  1.00 91.98           C  
+ATOM   3164  O   ILE B 597     -18.740  -8.269  29.057  1.00 91.98           O  
+ATOM   3165  CG1 ILE B 597     -21.318  -4.589  29.287  1.00 91.98           C  
+ATOM   3166  CG2 ILE B 597     -21.206  -6.344  27.475  1.00 91.98           C  
+ATOM   3167  CD1 ILE B 597     -21.338  -3.429  28.301  1.00 91.98           C  
+ATOM   3168  N   GLN B 598     -20.750  -9.236  29.231  1.00 89.50           N  
+ATOM   3169  CA  GLN B 598     -20.305 -10.483  28.618  1.00 89.50           C  
+ATOM   3170  C   GLN B 598     -21.078 -10.772  27.334  1.00 89.50           C  
+ATOM   3171  CB  GLN B 598     -20.460 -11.648  29.597  1.00 89.50           C  
+ATOM   3172  O   GLN B 598     -22.283 -11.031  27.374  1.00 89.50           O  
+ATOM   3173  CG  GLN B 598     -19.494 -11.595  30.774  1.00 89.50           C  
+ATOM   3174  CD  GLN B 598     -19.596 -12.812  31.673  1.00 89.50           C  
+ATOM   3175  NE2 GLN B 598     -18.691 -12.913  32.640  1.00 89.50           N  
+ATOM   3176  OE1 GLN B 598     -20.482 -13.656  31.500  1.00 89.50           O  
+ATOM   3177  N   MET B 599     -20.432 -10.564  26.212  1.00 92.40           N  
+ATOM   3178  CA  MET B 599     -20.999 -10.925  24.916  1.00 92.40           C  
+ATOM   3179  C   MET B 599     -20.473 -12.279  24.450  1.00 92.40           C  
+ATOM   3180  CB  MET B 599     -20.681  -9.854  23.872  1.00 92.40           C  
+ATOM   3181  O   MET B 599     -19.298 -12.593  24.643  1.00 92.40           O  
+ATOM   3182  CG  MET B 599     -21.327  -8.508  24.158  1.00 92.40           C  
+ATOM   3183  SD  MET B 599     -20.988  -7.272  22.845  1.00 92.40           S  
+ATOM   3184  CE  MET B 599     -21.882  -5.841  23.514  1.00 92.40           C  
+ATOM   3185  N   ARG B 600     -21.353 -13.117  23.956  1.00 92.61           N  
+ATOM   3186  CA  ARG B 600     -20.941 -14.429  23.466  1.00 92.61           C  
+ATOM   3187  C   ARG B 600     -20.870 -14.447  21.943  1.00 92.61           C  
+ATOM   3188  CB  ARG B 600     -21.902 -15.513  23.959  1.00 92.61           C  
+ATOM   3189  O   ARG B 600     -21.591 -13.704  21.274  1.00 92.61           O  
+ATOM   3190  CG  ARG B 600     -21.959 -15.645  25.472  1.00 92.61           C  
+ATOM   3191  CD  ARG B 600     -22.910 -16.752  25.907  1.00 92.61           C  
+ATOM   3192  NE  ARG B 600     -22.941 -16.896  27.359  1.00 92.61           N  
+ATOM   3193  NH1 ARG B 600     -24.360 -18.719  27.355  1.00 92.61           N  
+ATOM   3194  NH2 ARG B 600     -23.587 -17.867  29.338  1.00 92.61           N  
+ATOM   3195  CZ  ARG B 600     -23.629 -17.827  28.014  1.00 92.61           C  
+ATOM   3196  N   THR B 601     -19.951 -15.250  21.524  1.00 93.89           N  
+ATOM   3197  CA  THR B 601     -19.884 -15.481  20.085  1.00 93.89           C  
+ATOM   3198  C   THR B 601     -21.067 -16.323  19.616  1.00 93.89           C  
+ATOM   3199  CB  THR B 601     -18.568 -16.177  19.692  1.00 93.89           C  
+ATOM   3200  O   THR B 601     -21.192 -17.491  19.990  1.00 93.89           O  
+ATOM   3201  CG2 THR B 601     -18.442 -16.301  18.177  1.00 93.89           C  
+ATOM   3202  OG1 THR B 601     -17.463 -15.414  20.191  1.00 93.89           O  
+ATOM   3203  N   ARG B 602     -21.932 -15.743  18.758  1.00 93.26           N  
+ATOM   3204  CA  ARG B 602     -23.126 -16.434  18.283  1.00 93.26           C  
+ATOM   3205  C   ARG B 602     -22.838 -17.207  17.000  1.00 93.26           C  
+ATOM   3206  CB  ARG B 602     -24.266 -15.439  18.050  1.00 93.26           C  
+ATOM   3207  O   ARG B 602     -23.347 -18.313  16.808  1.00 93.26           O  
+ATOM   3208  CG  ARG B 602     -24.873 -14.888  19.331  1.00 93.26           C  
+ATOM   3209  CD  ARG B 602     -25.693 -15.940  20.064  1.00 93.26           C  
+ATOM   3210  NE  ARG B 602     -26.422 -15.366  21.192  1.00 93.26           N  
+ATOM   3211  NH1 ARG B 602     -27.285 -17.379  21.926  1.00 93.26           N  
+ATOM   3212  NH2 ARG B 602     -27.782 -15.438  23.041  1.00 93.26           N  
+ATOM   3213  CZ  ARG B 602     -27.161 -16.062  22.050  1.00 93.26           C  
+ATOM   3214  N   ARG B 603     -21.977 -16.591  16.209  1.00 94.67           N  
+ATOM   3215  CA  ARG B 603     -21.644 -17.194  14.922  1.00 94.67           C  
+ATOM   3216  C   ARG B 603     -20.197 -16.905  14.540  1.00 94.67           C  
+ATOM   3217  CB  ARG B 603     -22.587 -16.686  13.829  1.00 94.67           C  
+ATOM   3218  O   ARG B 603     -19.653 -15.858  14.897  1.00 94.67           O  
+ATOM   3219  CG  ARG B 603     -24.049 -17.024  14.070  1.00 94.67           C  
+ATOM   3220  CD  ARG B 603     -24.926 -16.603  12.899  1.00 94.67           C  
+ATOM   3221  NE  ARG B 603     -26.343 -16.802  13.188  1.00 94.67           N  
+ATOM   3222  NH1 ARG B 603     -26.484 -18.850  12.127  1.00 94.67           N  
+ATOM   3223  NH2 ARG B 603     -28.335 -17.944  13.131  1.00 94.67           N  
+ATOM   3224  CZ  ARG B 603     -27.051 -17.865  12.815  1.00 94.67           C  
+ATOM   3225  N   THR B 604     -19.675 -17.916  13.851  1.00 96.07           N  
+ATOM   3226  CA  THR B 604     -18.380 -17.742  13.204  1.00 96.07           C  
+ATOM   3227  C   THR B 604     -18.509 -17.882  11.690  1.00 96.07           C  
+ATOM   3228  CB  THR B 604     -17.351 -18.760  13.730  1.00 96.07           C  
+ATOM   3229  O   THR B 604     -18.966 -18.914  11.193  1.00 96.07           O  
+ATOM   3230  CG2 THR B 604     -15.993 -18.564  13.063  1.00 96.07           C  
+ATOM   3231  OG1 THR B 604     -17.204 -18.593  15.146  1.00 96.07           O  
+ATOM   3232  N   LEU B 605     -18.188 -16.755  11.025  1.00 96.54           N  
+ATOM   3233  CA  LEU B 605     -18.244 -16.787   9.567  1.00 96.54           C  
+ATOM   3234  C   LEU B 605     -16.923 -17.277   8.983  1.00 96.54           C  
+ATOM   3235  CB  LEU B 605     -18.578 -15.400   9.013  1.00 96.54           C  
+ATOM   3236  O   LEU B 605     -15.900 -16.598   9.095  1.00 96.54           O  
+ATOM   3237  CG  LEU B 605     -19.809 -14.711   9.605  1.00 96.54           C  
+ATOM   3238  CD1 LEU B 605     -20.041 -13.366   8.926  1.00 96.54           C  
+ATOM   3239  CD2 LEU B 605     -21.038 -15.604   9.471  1.00 96.54           C  
+ATOM   3240  N   ARG B 606     -17.013 -18.538   8.306  1.00 95.41           N  
+ATOM   3241  CA  ARG B 606     -15.829 -19.189   7.756  1.00 95.41           C  
+ATOM   3242  C   ARG B 606     -15.844 -19.155   6.231  1.00 95.41           C  
+ATOM   3243  CB  ARG B 606     -15.733 -20.635   8.246  1.00 95.41           C  
+ATOM   3244  O   ARG B 606     -16.864 -19.456   5.608  1.00 95.41           O  
+ATOM   3245  CG  ARG B 606     -15.624 -20.767   9.757  1.00 95.41           C  
+ATOM   3246  CD  ARG B 606     -15.613 -22.225  10.196  1.00 95.41           C  
+ATOM   3247  NE  ARG B 606     -15.617 -22.349  11.651  1.00 95.41           N  
+ATOM   3248  NH1 ARG B 606     -13.320 -22.506  11.850  1.00 95.41           N  
+ATOM   3249  NH2 ARG B 606     -14.646 -22.585  13.719  1.00 95.41           N  
+ATOM   3250  CZ  ARG B 606     -14.528 -22.480  12.403  1.00 95.41           C  
+ATOM   3251  N   GLY B 607     -14.752 -18.780   5.692  1.00 93.04           N  
+ATOM   3252  CA  GLY B 607     -14.650 -18.744   4.242  1.00 93.04           C  
+ATOM   3253  C   GLY B 607     -13.342 -18.153   3.751  1.00 93.04           C  
+ATOM   3254  O   GLY B 607     -12.712 -18.696   2.840  1.00 93.04           O  
+ATOM   3255  N   HIS B 608     -12.888 -17.149   4.343  1.00 96.05           N  
+ATOM   3256  CA  HIS B 608     -11.614 -16.555   3.952  1.00 96.05           C  
+ATOM   3257  C   HIS B 608     -10.449 -17.479   4.286  1.00 96.05           C  
+ATOM   3258  CB  HIS B 608     -11.423 -15.200   4.637  1.00 96.05           C  
+ATOM   3259  O   HIS B 608     -10.488 -18.197   5.288  1.00 96.05           O  
+ATOM   3260  CG  HIS B 608     -12.186 -14.088   3.990  1.00 96.05           C  
+ATOM   3261  CD2 HIS B 608     -13.123 -13.247   4.486  1.00 96.05           C  
+ATOM   3262  ND1 HIS B 608     -12.017 -13.741   2.667  1.00 96.05           N  
+ATOM   3263  CE1 HIS B 608     -12.819 -12.731   2.377  1.00 96.05           C  
+ATOM   3264  NE2 HIS B 608     -13.502 -12.412   3.463  1.00 96.05           N  
+ATOM   3265  N   LEU B 609      -9.366 -17.421   3.475  1.00 91.52           N  
+ATOM   3266  CA  LEU B 609      -8.222 -18.316   3.603  1.00 91.52           C  
+ATOM   3267  C   LEU B 609      -6.995 -17.562   4.106  1.00 91.52           C  
+ATOM   3268  CB  LEU B 609      -7.910 -18.983   2.260  1.00 91.52           C  
+ATOM   3269  O   LEU B 609      -5.911 -18.139   4.222  1.00 91.52           O  
+ATOM   3270  CG  LEU B 609      -9.035 -19.812   1.638  1.00 91.52           C  
+ATOM   3271  CD1 LEU B 609      -8.614 -20.330   0.267  1.00 91.52           C  
+ATOM   3272  CD2 LEU B 609      -9.420 -20.966   2.557  1.00 91.52           C  
+ATOM   3273  N   ALA B 610      -7.141 -16.265   4.227  1.00 91.32           N  
+ATOM   3274  CA  ALA B 610      -6.045 -15.420   4.694  1.00 91.32           C  
+ATOM   3275  C   ALA B 610      -6.561 -14.298   5.590  1.00 91.32           C  
+ATOM   3276  CB  ALA B 610      -5.278 -14.839   3.508  1.00 91.32           C  
+ATOM   3277  O   ALA B 610      -7.703 -14.340   6.052  1.00 91.32           O  
+ATOM   3278  N   LYS B 611      -5.746 -13.349   5.987  1.00 94.90           N  
+ATOM   3279  CA  LYS B 611      -6.034 -12.263   6.920  1.00 94.90           C  
+ATOM   3280  C   LYS B 611      -7.194 -11.405   6.423  1.00 94.90           C  
+ATOM   3281  CB  LYS B 611      -4.794 -11.395   7.133  1.00 94.90           C  
+ATOM   3282  O   LYS B 611      -7.250 -11.050   5.244  1.00 94.90           O  
+ATOM   3283  CG  LYS B 611      -3.622 -12.133   7.764  1.00 94.90           C  
+ATOM   3284  CD  LYS B 611      -2.372 -11.263   7.809  1.00 94.90           C  
+ATOM   3285  CE  LYS B 611      -1.201 -11.999   8.445  1.00 94.90           C  
+ATOM   3286  NZ  LYS B 611       0.050 -11.183   8.411  1.00 94.90           N  
+ATOM   3287  N   ILE B 612      -8.062 -11.101   7.305  1.00 97.74           N  
+ATOM   3288  CA  ILE B 612      -9.166 -10.191   7.019  1.00 97.74           C  
+ATOM   3289  C   ILE B 612      -8.781  -8.770   7.424  1.00 97.74           C  
+ATOM   3290  CB  ILE B 612     -10.458 -10.624   7.747  1.00 97.74           C  
+ATOM   3291  O   ILE B 612      -8.421  -8.522   8.578  1.00 97.74           O  
+ATOM   3292  CG1 ILE B 612     -10.890 -12.020   7.283  1.00 97.74           C  
+ATOM   3293  CG2 ILE B 612     -11.575  -9.602   7.518  1.00 97.74           C  
+ATOM   3294  CD1 ILE B 612     -12.008 -12.631   8.117  1.00 97.74           C  
+ATOM   3295  N   TYR B 613      -8.975  -7.823   6.493  1.00 96.11           N  
+ATOM   3296  CA  TYR B 613      -8.488  -6.472   6.743  1.00 96.11           C  
+ATOM   3297  C   TYR B 613      -9.643  -5.517   7.018  1.00 96.11           C  
+ATOM   3298  CB  TYR B 613      -7.667  -5.967   5.552  1.00 96.11           C  
+ATOM   3299  O   TYR B 613      -9.483  -4.531   7.740  1.00 96.11           O  
+ATOM   3300  CG  TYR B 613      -6.209  -6.354   5.612  1.00 96.11           C  
+ATOM   3301  CD1 TYR B 613      -5.285  -5.561   6.288  1.00 96.11           C  
+ATOM   3302  CD2 TYR B 613      -5.753  -7.513   4.993  1.00 96.11           C  
+ATOM   3303  CE1 TYR B 613      -3.940  -5.913   6.345  1.00 96.11           C  
+ATOM   3304  CE2 TYR B 613      -4.410  -7.874   5.043  1.00 96.11           C  
+ATOM   3305  OH  TYR B 613      -2.183  -7.422   5.773  1.00 96.11           O  
+ATOM   3306  CZ  TYR B 613      -3.513  -7.069   5.720  1.00 96.11           C  
+ATOM   3307  N   ALA B 614     -10.767  -5.787   6.394  1.00 97.71           N  
+ATOM   3308  CA  ALA B 614     -11.871  -4.847   6.567  1.00 97.71           C  
+ATOM   3309  C   ALA B 614     -13.218  -5.553   6.436  1.00 97.71           C  
+ATOM   3310  CB  ALA B 614     -11.768  -3.712   5.552  1.00 97.71           C  
+ATOM   3311  O   ALA B 614     -13.331  -6.564   5.738  1.00 97.71           O  
+ATOM   3312  N   MET B 615     -14.171  -5.000   7.106  1.00 97.73           N  
+ATOM   3313  CA  MET B 615     -15.556  -5.448   6.991  1.00 97.73           C  
+ATOM   3314  C   MET B 615     -16.520  -4.271   7.104  1.00 97.73           C  
+ATOM   3315  CB  MET B 615     -15.876  -6.490   8.064  1.00 97.73           C  
+ATOM   3316  O   MET B 615     -16.180  -3.238   7.685  1.00 97.73           O  
+ATOM   3317  CG  MET B 615     -15.863  -5.936   9.480  1.00 97.73           C  
+ATOM   3318  SD  MET B 615     -17.501  -5.292   9.998  1.00 97.73           S  
+ATOM   3319  CE  MET B 615     -18.547  -6.720   9.598  1.00 97.73           C  
+ATOM   3320  N   HIS B 616     -17.651  -4.389   6.478  1.00 98.02           N  
+ATOM   3321  CA  HIS B 616     -18.669  -3.347   6.554  1.00 98.02           C  
+ATOM   3322  C   HIS B 616     -20.072  -3.940   6.485  1.00 98.02           C  
+ATOM   3323  CB  HIS B 616     -18.474  -2.326   5.432  1.00 98.02           C  
+ATOM   3324  O   HIS B 616     -20.346  -4.799   5.644  1.00 98.02           O  
+ATOM   3325  CG  HIS B 616     -19.297  -1.088   5.597  1.00 98.02           C  
+ATOM   3326  CD2 HIS B 616     -19.181  -0.052   6.461  1.00 98.02           C  
+ATOM   3327  ND1 HIS B 616     -20.397  -0.815   4.813  1.00 98.02           N  
+ATOM   3328  CE1 HIS B 616     -20.922   0.339   5.187  1.00 98.02           C  
+ATOM   3329  NE2 HIS B 616     -20.203   0.823   6.185  1.00 98.02           N  
+ATOM   3330  N   TRP B 617     -20.928  -3.473   7.461  1.00 97.48           N  
+ATOM   3331  CA  TRP B 617     -22.314  -3.929   7.460  1.00 97.48           C  
+ATOM   3332  C   TRP B 617     -23.111  -3.247   6.354  1.00 97.48           C  
+ATOM   3333  CB  TRP B 617     -22.969  -3.662   8.818  1.00 97.48           C  
+ATOM   3334  O   TRP B 617     -22.903  -2.065   6.069  1.00 97.48           O  
+ATOM   3335  CG  TRP B 617     -22.532  -4.604   9.901  1.00 97.48           C  
+ATOM   3336  CD1 TRP B 617     -21.649  -4.344  10.911  1.00 97.48           C  
+ATOM   3337  CD2 TRP B 617     -22.956  -5.959  10.076  1.00 97.48           C  
+ATOM   3338  CE2 TRP B 617     -22.289  -6.461  11.216  1.00 97.48           C  
+ATOM   3339  CE3 TRP B 617     -23.837  -6.798   9.380  1.00 97.48           C  
+ATOM   3340  NE1 TRP B 617     -21.499  -5.457  11.706  1.00 97.48           N  
+ATOM   3341  CH2 TRP B 617     -23.343  -8.567  10.976  1.00 97.48           C  
+ATOM   3342  CZ2 TRP B 617     -22.477  -7.767  11.675  1.00 97.48           C  
+ATOM   3343  CZ3 TRP B 617     -24.022  -8.097   9.839  1.00 97.48           C  
+ATOM   3344  N   GLY B 618     -24.018  -3.957   5.745  1.00 96.01           N  
+ATOM   3345  CA  GLY B 618     -25.049  -3.330   4.933  1.00 96.01           C  
+ATOM   3346  C   GLY B 618     -26.103  -2.614   5.756  1.00 96.01           C  
+ATOM   3347  O   GLY B 618     -26.200  -2.822   6.967  1.00 96.01           O  
+ATOM   3348  N   THR B 619     -26.935  -1.757   5.158  1.00 93.50           N  
+ATOM   3349  CA  THR B 619     -27.930  -0.975   5.884  1.00 93.50           C  
+ATOM   3350  C   THR B 619     -29.100  -1.855   6.315  1.00 93.50           C  
+ATOM   3351  CB  THR B 619     -28.452   0.196   5.031  1.00 93.50           C  
+ATOM   3352  O   THR B 619     -29.910  -1.454   7.153  1.00 93.50           O  
+ATOM   3353  CG2 THR B 619     -27.357   1.229   4.787  1.00 93.50           C  
+ATOM   3354  OG1 THR B 619     -28.908  -0.307   3.769  1.00 93.50           O  
+ATOM   3355  N   ASP B 620     -29.129  -3.114   5.856  1.00 93.80           N  
+ATOM   3356  CA  ASP B 620     -30.222  -4.034   6.158  1.00 93.80           C  
+ATOM   3357  C   ASP B 620     -29.956  -4.794   7.455  1.00 93.80           C  
+ATOM   3358  CB  ASP B 620     -30.430  -5.018   5.005  1.00 93.80           C  
+ATOM   3359  O   ASP B 620     -30.721  -5.688   7.825  1.00 93.80           O  
+ATOM   3360  CG  ASP B 620     -29.203  -5.866   4.720  1.00 93.80           C  
+ATOM   3361  OD1 ASP B 620     -28.163  -5.677   5.388  1.00 93.80           O  
+ATOM   3362  OD2 ASP B 620     -29.276  -6.729   3.819  1.00 93.80           O  
+ATOM   3363  N   SER B 621     -28.890  -4.514   8.198  1.00 93.72           N  
+ATOM   3364  CA  SER B 621     -28.478  -5.109   9.466  1.00 93.72           C  
+ATOM   3365  C   SER B 621     -28.370  -6.626   9.355  1.00 93.72           C  
+ATOM   3366  CB  SER B 621     -29.463  -4.739  10.576  1.00 93.72           C  
+ATOM   3367  O   SER B 621     -28.448  -7.334  10.361  1.00 93.72           O  
+ATOM   3368  OG  SER B 621     -29.479  -3.338  10.788  1.00 93.72           O  
+ATOM   3369  N   ARG B 622     -28.233  -7.094   8.144  1.00 94.84           N  
+ATOM   3370  CA  ARG B 622     -28.170  -8.528   7.883  1.00 94.84           C  
+ATOM   3371  C   ARG B 622     -26.922  -8.884   7.081  1.00 94.84           C  
+ATOM   3372  CB  ARG B 622     -29.422  -8.995   7.138  1.00 94.84           C  
+ATOM   3373  O   ARG B 622     -26.110  -9.703   7.517  1.00 94.84           O  
+ATOM   3374  CG  ARG B 622     -29.411 -10.473   6.781  1.00 94.84           C  
+ATOM   3375  CD  ARG B 622     -30.707 -10.899   6.105  1.00 94.84           C  
+ATOM   3376  NE  ARG B 622     -30.642 -12.282   5.639  1.00 94.84           N  
+ATOM   3377  NH1 ARG B 622     -32.842 -12.366   4.938  1.00 94.84           N  
+ATOM   3378  NH2 ARG B 622     -31.489 -14.202   4.707  1.00 94.84           N  
+ATOM   3379  CZ  ARG B 622     -31.658 -12.947   5.096  1.00 94.84           C  
+ATOM   3380  N   LEU B 623     -26.696  -8.264   5.980  1.00 96.57           N  
+ATOM   3381  CA  LEU B 623     -25.584  -8.570   5.086  1.00 96.57           C  
+ATOM   3382  C   LEU B 623     -24.327  -7.814   5.502  1.00 96.57           C  
+ATOM   3383  CB  LEU B 623     -25.948  -8.221   3.640  1.00 96.57           C  
+ATOM   3384  O   LEU B 623     -24.411  -6.688   6.000  1.00 96.57           O  
+ATOM   3385  CG  LEU B 623     -27.117  -8.995   3.029  1.00 96.57           C  
+ATOM   3386  CD1 LEU B 623     -27.402  -8.498   1.616  1.00 96.57           C  
+ATOM   3387  CD2 LEU B 623     -26.825 -10.492   3.026  1.00 96.57           C  
+ATOM   3388  N   LEU B 624     -23.279  -8.450   5.338  1.00 96.86           N  
+ATOM   3389  CA  LEU B 624     -21.983  -7.849   5.634  1.00 96.86           C  
+ATOM   3390  C   LEU B 624     -20.958  -8.213   4.565  1.00 96.86           C  
+ATOM   3391  CB  LEU B 624     -21.484  -8.299   7.010  1.00 96.86           C  
+ATOM   3392  O   LEU B 624     -21.007  -9.308   3.999  1.00 96.86           O  
+ATOM   3393  CG  LEU B 624     -21.082  -9.769   7.137  1.00 96.86           C  
+ATOM   3394  CD1 LEU B 624     -19.598  -9.941   6.832  1.00 96.86           C  
+ATOM   3395  CD2 LEU B 624     -21.412 -10.295   8.530  1.00 96.86           C  
+ATOM   3396  N   VAL B 625     -20.099  -7.287   4.210  1.00 98.07           N  
+ATOM   3397  CA  VAL B 625     -19.019  -7.545   3.263  1.00 98.07           C  
+ATOM   3398  C   VAL B 625     -17.680  -7.559   3.998  1.00 98.07           C  
+ATOM   3399  CB  VAL B 625     -18.994  -6.494   2.130  1.00 98.07           C  
+ATOM   3400  O   VAL B 625     -17.471  -6.785   4.935  1.00 98.07           O  
+ATOM   3401  CG1 VAL B 625     -18.771  -5.093   2.698  1.00 98.07           C  
+ATOM   3402  CG2 VAL B 625     -17.912  -6.838   1.108  1.00 98.07           C  
+ATOM   3403  N   SER B 626     -16.828  -8.525   3.651  1.00 98.37           N  
+ATOM   3404  CA  SER B 626     -15.483  -8.614   4.209  1.00 98.37           C  
+ATOM   3405  C   SER B 626     -14.429  -8.662   3.108  1.00 98.37           C  
+ATOM   3406  CB  SER B 626     -15.354  -9.847   5.104  1.00 98.37           C  
+ATOM   3407  O   SER B 626     -14.678  -9.200   2.027  1.00 98.37           O  
+ATOM   3408  OG  SER B 626     -15.554 -11.034   4.355  1.00 98.37           O  
+ATOM   3409  N   ALA B 627     -13.297  -8.028   3.350  1.00 97.73           N  
+ATOM   3410  CA  ALA B 627     -12.163  -8.001   2.429  1.00 97.73           C  
+ATOM   3411  C   ALA B 627     -10.953  -8.712   3.028  1.00 97.73           C  
+ATOM   3412  CB  ALA B 627     -11.806  -6.562   2.066  1.00 97.73           C  
+ATOM   3413  O   ALA B 627     -10.541  -8.410   4.150  1.00 97.73           O  
+ATOM   3414  N   SER B 628     -10.343  -9.584   2.246  1.00 96.49           N  
+ATOM   3415  CA  SER B 628      -9.274 -10.415   2.790  1.00 96.49           C  
+ATOM   3416  C   SER B 628      -8.078 -10.464   1.846  1.00 96.49           C  
+ATOM   3417  CB  SER B 628      -9.781 -11.833   3.058  1.00 96.49           C  
+ATOM   3418  O   SER B 628      -8.220 -10.236   0.643  1.00 96.49           O  
+ATOM   3419  OG  SER B 628      -8.708 -12.694   3.401  1.00 96.49           O  
+ATOM   3420  N   GLN B 629      -6.960 -10.795   2.392  1.00 91.34           N  
+ATOM   3421  CA  GLN B 629      -5.719 -10.951   1.641  1.00 91.34           C  
+ATOM   3422  C   GLN B 629      -5.748 -12.215   0.787  1.00 91.34           C  
+ATOM   3423  CB  GLN B 629      -4.519 -10.985   2.588  1.00 91.34           C  
+ATOM   3424  O   GLN B 629      -4.792 -12.505   0.065  1.00 91.34           O  
+ATOM   3425  CG  GLN B 629      -3.183 -10.745   1.898  1.00 91.34           C  
+ATOM   3426  CD  GLN B 629      -2.024 -10.667   2.873  1.00 91.34           C  
+ATOM   3427  NE2 GLN B 629      -0.874 -10.208   2.392  1.00 91.34           N  
+ATOM   3428  OE1 GLN B 629      -2.161 -11.015   4.050  1.00 91.34           O  
+ATOM   3429  N   ASP B 630      -6.770 -12.890   0.954  1.00 90.02           N  
+ATOM   3430  CA  ASP B 630      -6.929 -14.052   0.085  1.00 90.02           C  
+ATOM   3431  C   ASP B 630      -7.393 -13.635  -1.309  1.00 90.02           C  
+ATOM   3432  CB  ASP B 630      -7.920 -15.046   0.694  1.00 90.02           C  
+ATOM   3433  O   ASP B 630      -7.609 -14.484  -2.177  1.00 90.02           O  
+ATOM   3434  CG  ASP B 630      -9.320 -14.477   0.834  1.00 90.02           C  
+ATOM   3435  OD1 ASP B 630      -9.583 -13.368   0.320  1.00 90.02           O  
+ATOM   3436  OD2 ASP B 630     -10.169 -15.142   1.468  1.00 90.02           O  
+ATOM   3437  N   GLY B 631      -7.512 -12.345  -1.509  1.00 90.07           N  
+ATOM   3438  CA  GLY B 631      -7.856 -11.789  -2.809  1.00 90.07           C  
+ATOM   3439  C   GLY B 631      -9.342 -11.851  -3.109  1.00 90.07           C  
+ATOM   3440  O   GLY B 631      -9.745 -11.869  -4.274  1.00 90.07           O  
+ATOM   3441  N   LYS B 632     -10.187 -11.900  -2.027  1.00 94.76           N  
+ATOM   3442  CA  LYS B 632     -11.626 -12.020  -2.242  1.00 94.76           C  
+ATOM   3443  C   LYS B 632     -12.397 -11.045  -1.358  1.00 94.76           C  
+ATOM   3444  CB  LYS B 632     -12.091 -13.452  -1.972  1.00 94.76           C  
+ATOM   3445  O   LYS B 632     -11.985 -10.761  -0.231  1.00 94.76           O  
+ATOM   3446  CG  LYS B 632     -11.565 -14.472  -2.971  1.00 94.76           C  
+ATOM   3447  CD  LYS B 632     -12.174 -15.849  -2.737  1.00 94.76           C  
+ATOM   3448  CE  LYS B 632     -11.731 -16.845  -3.800  1.00 94.76           C  
+ATOM   3449  NZ  LYS B 632     -10.515 -17.602  -3.378  1.00 94.76           N  
+ATOM   3450  N   LEU B 633     -13.491 -10.529  -1.927  1.00 97.21           N  
+ATOM   3451  CA  LEU B 633     -14.596 -10.007  -1.131  1.00 97.21           C  
+ATOM   3452  C   LEU B 633     -15.661 -11.076  -0.911  1.00 97.21           C  
+ATOM   3453  CB  LEU B 633     -15.216  -8.784  -1.811  1.00 97.21           C  
+ATOM   3454  O   LEU B 633     -16.040 -11.783  -1.848  1.00 97.21           O  
+ATOM   3455  CG  LEU B 633     -14.315  -7.556  -1.952  1.00 97.21           C  
+ATOM   3456  CD1 LEU B 633     -15.034  -6.457  -2.727  1.00 97.21           C  
+ATOM   3457  CD2 LEU B 633     -13.878  -7.053  -0.581  1.00 97.21           C  
+ATOM   3458  N   ILE B 634     -16.041 -11.209   0.359  1.00 97.35           N  
+ATOM   3459  CA  ILE B 634     -17.143 -12.137   0.588  1.00 97.35           C  
+ATOM   3460  C   ILE B 634     -18.333 -11.390   1.184  1.00 97.35           C  
+ATOM   3461  CB  ILE B 634     -16.720 -13.298   1.515  1.00 97.35           C  
+ATOM   3462  O   ILE B 634     -18.183 -10.643   2.153  1.00 97.35           O  
+ATOM   3463  CG1 ILE B 634     -15.586 -14.108   0.875  1.00 97.35           C  
+ATOM   3464  CG2 ILE B 634     -17.918 -14.195   1.839  1.00 97.35           C  
+ATOM   3465  CD1 ILE B 634     -15.093 -15.267   1.730  1.00 97.35           C  
+ATOM   3466  N   ILE B 635     -19.472 -11.549   0.561  1.00 97.07           N  
+ATOM   3467  CA  ILE B 635     -20.718 -11.027   1.113  1.00 97.07           C  
+ATOM   3468  C   ILE B 635     -21.429 -12.121   1.906  1.00 97.07           C  
+ATOM   3469  CB  ILE B 635     -21.643 -10.483   0.001  1.00 97.07           C  
+ATOM   3470  O   ILE B 635     -21.703 -13.201   1.377  1.00 97.07           O  
+ATOM   3471  CG1 ILE B 635     -20.889  -9.478  -0.877  1.00 97.07           C  
+ATOM   3472  CG2 ILE B 635     -22.898  -9.847   0.607  1.00 97.07           C  
+ATOM   3473  CD1 ILE B 635     -20.331  -8.285  -0.113  1.00 97.07           C  
+ATOM   3474  N   TRP B 636     -21.712 -11.745   3.190  1.00 96.81           N  
+ATOM   3475  CA  TRP B 636     -22.251 -12.730   4.122  1.00 96.81           C  
+ATOM   3476  C   TRP B 636     -23.697 -12.406   4.481  1.00 96.81           C  
+ATOM   3477  CB  TRP B 636     -21.398 -12.791   5.392  1.00 96.81           C  
+ATOM   3478  O   TRP B 636     -24.077 -11.235   4.556  1.00 96.81           O  
+ATOM   3479  CG  TRP B 636     -19.925 -12.891   5.133  1.00 96.81           C  
+ATOM   3480  CD1 TRP B 636     -19.068 -11.866   4.842  1.00 96.81           C  
+ATOM   3481  CD2 TRP B 636     -19.136 -14.085   5.135  1.00 96.81           C  
+ATOM   3482  CE2 TRP B 636     -17.807 -13.709   4.839  1.00 96.81           C  
+ATOM   3483  CE3 TRP B 636     -19.425 -15.438   5.361  1.00 96.81           C  
+ATOM   3484  NE1 TRP B 636     -17.793 -12.352   4.664  1.00 96.81           N  
+ATOM   3485  CH2 TRP B 636     -17.077 -15.956   4.987  1.00 96.81           C  
+ATOM   3486  CZ2 TRP B 636     -16.768 -14.640   4.762  1.00 96.81           C  
+ATOM   3487  CZ3 TRP B 636     -18.389 -16.362   5.284  1.00 96.81           C  
+ATOM   3488  N   ASP B 637     -24.434 -13.424   4.612  1.00 95.39           N  
+ATOM   3489  CA  ASP B 637     -25.630 -13.330   5.443  1.00 95.39           C  
+ATOM   3490  C   ASP B 637     -25.326 -13.719   6.889  1.00 95.39           C  
+ATOM   3491  CB  ASP B 637     -26.745 -14.216   4.884  1.00 95.39           C  
+ATOM   3492  O   ASP B 637     -25.107 -14.894   7.187  1.00 95.39           O  
+ATOM   3493  CG  ASP B 637     -28.075 -14.011   5.587  1.00 95.39           C  
+ATOM   3494  OD1 ASP B 637     -28.089 -13.830   6.824  1.00 95.39           O  
+ATOM   3495  OD2 ASP B 637     -29.118 -14.035   4.900  1.00 95.39           O  
+ATOM   3496  N   SER B 638     -25.424 -12.737   7.788  1.00 93.97           N  
+ATOM   3497  CA  SER B 638     -24.923 -12.923   9.146  1.00 93.97           C  
+ATOM   3498  C   SER B 638     -25.853 -13.816   9.961  1.00 93.97           C  
+ATOM   3499  CB  SER B 638     -24.756 -11.574   9.846  1.00 93.97           C  
+ATOM   3500  O   SER B 638     -25.436 -14.411  10.957  1.00 93.97           O  
+ATOM   3501  OG  SER B 638     -26.004 -10.914   9.970  1.00 93.97           O  
+ATOM   3502  N   TYR B 639     -27.099 -13.997   9.610  1.00 91.92           N  
+ATOM   3503  CA  TYR B 639     -28.065 -14.823  10.325  1.00 91.92           C  
+ATOM   3504  C   TYR B 639     -27.912 -16.291   9.949  1.00 91.92           C  
+ATOM   3505  CB  TYR B 639     -29.494 -14.355  10.032  1.00 91.92           C  
+ATOM   3506  O   TYR B 639     -27.897 -17.164  10.821  1.00 91.92           O  
+ATOM   3507  CG  TYR B 639     -29.870 -13.074  10.735  1.00 91.92           C  
+ATOM   3508  CD1 TYR B 639     -30.261 -13.079  12.073  1.00 91.92           C  
+ATOM   3509  CD2 TYR B 639     -29.837 -11.856  10.065  1.00 91.92           C  
+ATOM   3510  CE1 TYR B 639     -30.611 -11.901  12.725  1.00 91.92           C  
+ATOM   3511  CE2 TYR B 639     -30.184 -10.672  10.707  1.00 91.92           C  
+ATOM   3512  OH  TYR B 639     -30.913  -9.535  12.675  1.00 91.92           O  
+ATOM   3513  CZ  TYR B 639     -30.569 -10.704  12.035  1.00 91.92           C  
+ATOM   3514  N   THR B 640     -27.731 -16.492   8.603  1.00 92.94           N  
+ATOM   3515  CA  THR B 640     -27.712 -17.864   8.108  1.00 92.94           C  
+ATOM   3516  C   THR B 640     -26.278 -18.361   7.946  1.00 92.94           C  
+ATOM   3517  CB  THR B 640     -28.455 -17.984   6.765  1.00 92.94           C  
+ATOM   3518  O   THR B 640     -26.046 -19.560   7.784  1.00 92.94           O  
+ATOM   3519  CG2 THR B 640     -29.887 -17.472   6.880  1.00 92.94           C  
+ATOM   3520  OG1 THR B 640     -27.763 -17.216   5.773  1.00 92.94           O  
+ATOM   3521  N   THR B 641     -25.330 -17.428   7.896  1.00 93.74           N  
+ATOM   3522  CA  THR B 641     -23.906 -17.672   7.695  1.00 93.74           C  
+ATOM   3523  C   THR B 641     -23.625 -18.068   6.248  1.00 93.74           C  
+ATOM   3524  CB  THR B 641     -23.389 -18.772   8.640  1.00 93.74           C  
+ATOM   3525  O   THR B 641     -22.522 -18.515   5.924  1.00 93.74           O  
+ATOM   3526  CG2 THR B 641     -23.708 -18.442  10.095  1.00 93.74           C  
+ATOM   3527  OG1 THR B 641     -24.007 -20.018   8.298  1.00 93.74           O  
+ATOM   3528  N   ASN B 642     -24.658 -17.914   5.453  1.00 94.51           N  
+ATOM   3529  CA  ASN B 642     -24.491 -18.203   4.033  1.00 94.51           C  
+ATOM   3530  C   ASN B 642     -23.607 -17.164   3.349  1.00 94.51           C  
+ATOM   3531  CB  ASN B 642     -25.852 -18.281   3.338  1.00 94.51           C  
+ATOM   3532  O   ASN B 642     -23.664 -15.978   3.682  1.00 94.51           O  
+ATOM   3533  CG  ASN B 642     -26.654 -19.497   3.758  1.00 94.51           C  
+ATOM   3534  ND2 ASN B 642     -27.963 -19.448   3.544  1.00 94.51           N  
+ATOM   3535  OD1 ASN B 642     -26.100 -20.473   4.272  1.00 94.51           O  
+ATOM   3536  N   LYS B 643     -22.749 -17.617   2.431  1.00 94.95           N  
+ATOM   3537  CA  LYS B 643     -22.031 -16.721   1.530  1.00 94.95           C  
+ATOM   3538  C   LYS B 643     -22.883 -16.364   0.315  1.00 94.95           C  
+ATOM   3539  CB  LYS B 643     -20.715 -17.356   1.078  1.00 94.95           C  
+ATOM   3540  O   LYS B 643     -23.282 -17.245  -0.450  1.00 94.95           O  
+ATOM   3541  CG  LYS B 643     -19.751 -17.658   2.216  1.00 94.95           C  
+ATOM   3542  CD  LYS B 643     -18.711 -18.694   1.808  1.00 94.95           C  
+ATOM   3543  CE  LYS B 643     -17.919 -19.195   3.008  1.00 94.95           C  
+ATOM   3544  NZ  LYS B 643     -18.705 -20.170   3.823  1.00 94.95           N  
+ATOM   3545  N   VAL B 644     -23.154 -15.009   0.284  1.00 93.39           N  
+ATOM   3546  CA  VAL B 644     -24.025 -14.542  -0.790  1.00 93.39           C  
+ATOM   3547  C   VAL B 644     -23.216 -14.377  -2.075  1.00 93.39           C  
+ATOM   3548  CB  VAL B 644     -24.718 -13.211  -0.422  1.00 93.39           C  
+ATOM   3549  O   VAL B 644     -23.653 -14.798  -3.149  1.00 93.39           O  
+ATOM   3550  CG1 VAL B 644     -25.590 -12.719  -1.575  1.00 93.39           C  
+ATOM   3551  CG2 VAL B 644     -25.550 -13.378   0.848  1.00 93.39           C  
+ATOM   3552  N   HIS B 645     -22.023 -13.804  -1.976  1.00 93.50           N  
+ATOM   3553  CA  HIS B 645     -21.067 -13.622  -3.063  1.00 93.50           C  
+ATOM   3554  C   HIS B 645     -19.636 -13.835  -2.579  1.00 93.50           C  
+ATOM   3555  CB  HIS B 645     -21.212 -12.229  -3.676  1.00 93.50           C  
+ATOM   3556  O   HIS B 645     -19.313 -13.528  -1.429  1.00 93.50           O  
+ATOM   3557  CG  HIS B 645     -22.535 -11.997  -4.333  1.00 93.50           C  
+ATOM   3558  CD2 HIS B 645     -23.627 -11.314  -3.916  1.00 93.50           C  
+ATOM   3559  ND1 HIS B 645     -22.848 -12.505  -5.575  1.00 93.50           N  
+ATOM   3560  CE1 HIS B 645     -24.079 -12.141  -5.895  1.00 93.50           C  
+ATOM   3561  NE2 HIS B 645     -24.574 -11.418  -4.905  1.00 93.50           N  
+ATOM   3562  N   ALA B 646     -18.853 -14.367  -3.480  1.00 94.04           N  
+ATOM   3563  CA  ALA B 646     -17.398 -14.333  -3.357  1.00 94.04           C  
+ATOM   3564  C   ALA B 646     -16.757 -13.711  -4.595  1.00 94.04           C  
+ATOM   3565  CB  ALA B 646     -16.850 -15.740  -3.128  1.00 94.04           C  
+ATOM   3566  O   ALA B 646     -16.697 -14.341  -5.653  1.00 94.04           O  
+ATOM   3567  N   ILE B 647     -16.344 -12.475  -4.356  1.00 94.17           N  
+ATOM   3568  CA  ILE B 647     -15.893 -11.663  -5.481  1.00 94.17           C  
+ATOM   3569  C   ILE B 647     -14.367 -11.659  -5.536  1.00 94.17           C  
+ATOM   3570  CB  ILE B 647     -16.430 -10.217  -5.386  1.00 94.17           C  
+ATOM   3571  O   ILE B 647     -13.707 -11.205  -4.598  1.00 94.17           O  
+ATOM   3572  CG1 ILE B 647     -17.959 -10.222  -5.274  1.00 94.17           C  
+ATOM   3573  CG2 ILE B 647     -15.971  -9.391  -6.590  1.00 94.17           C  
+ATOM   3574  CD1 ILE B 647     -18.554  -8.880  -4.870  1.00 94.17           C  
+ATOM   3575  N   PRO B 648     -13.779 -12.253  -6.655  1.00 91.65           N  
+ATOM   3576  CA  PRO B 648     -12.323 -12.183  -6.801  1.00 91.65           C  
+ATOM   3577  C   PRO B 648     -11.825 -10.764  -7.068  1.00 91.65           C  
+ATOM   3578  CB  PRO B 648     -12.044 -13.094  -7.998  1.00 91.65           C  
+ATOM   3579  O   PRO B 648     -12.433 -10.030  -7.851  1.00 91.65           O  
+ATOM   3580  CG  PRO B 648     -13.320 -13.103  -8.777  1.00 91.65           C  
+ATOM   3581  CD  PRO B 648     -14.461 -12.876  -7.827  1.00 91.65           C  
+ATOM   3582  N   LEU B 649     -10.747 -10.434  -6.363  1.00 91.20           N  
+ATOM   3583  CA  LEU B 649     -10.181  -9.097  -6.498  1.00 91.20           C  
+ATOM   3584  C   LEU B 649      -8.975  -9.108  -7.432  1.00 91.20           C  
+ATOM   3585  CB  LEU B 649      -9.774  -8.546  -5.129  1.00 91.20           C  
+ATOM   3586  O   LEU B 649      -8.289 -10.125  -7.554  1.00 91.20           O  
+ATOM   3587  CG  LEU B 649     -10.882  -8.456  -4.078  1.00 91.20           C  
+ATOM   3588  CD1 LEU B 649     -10.299  -8.068  -2.724  1.00 91.20           C  
+ATOM   3589  CD2 LEU B 649     -11.951  -7.459  -4.512  1.00 91.20           C  
+ATOM   3590  N   ARG B 650      -8.690  -8.055  -8.058  1.00 81.06           N  
+ATOM   3591  CA  ARG B 650      -7.525  -7.870  -8.916  1.00 81.06           C  
+ATOM   3592  C   ARG B 650      -6.234  -7.909  -8.104  1.00 81.06           C  
+ATOM   3593  CB  ARG B 650      -7.623  -6.548  -9.680  1.00 81.06           C  
+ATOM   3594  O   ARG B 650      -5.219  -8.432  -8.567  1.00 81.06           O  
+ATOM   3595  CG  ARG B 650      -6.552  -6.369 -10.744  1.00 81.06           C  
+ATOM   3596  CD  ARG B 650      -6.706  -5.048 -11.484  1.00 81.06           C  
+ATOM   3597  NE  ARG B 650      -5.702  -4.897 -12.533  1.00 81.06           N  
+ATOM   3598  NH1 ARG B 650      -6.548  -2.906 -13.343  1.00 81.06           N  
+ATOM   3599  NH2 ARG B 650      -4.693  -3.846 -14.308  1.00 81.06           N  
+ATOM   3600  CZ  ARG B 650      -5.650  -3.883 -13.393  1.00 81.06           C  
+ATOM   3601  N   SER B 651      -6.375  -7.346  -6.995  1.00 83.31           N  
+ATOM   3602  CA  SER B 651      -5.247  -7.317  -6.069  1.00 83.31           C  
+ATOM   3603  C   SER B 651      -5.618  -7.938  -4.727  1.00 83.31           C  
+ATOM   3604  CB  SER B 651      -4.762  -5.882  -5.860  1.00 83.31           C  
+ATOM   3605  O   SER B 651      -6.699  -7.679  -4.194  1.00 83.31           O  
+ATOM   3606  OG  SER B 651      -3.781  -5.826  -4.838  1.00 83.31           O  
+ATOM   3607  N   SER B 652      -4.751  -8.770  -4.163  1.00 84.98           N  
+ATOM   3608  CA  SER B 652      -4.964  -9.431  -2.880  1.00 84.98           C  
+ATOM   3609  C   SER B 652      -4.587  -8.517  -1.718  1.00 84.98           C  
+ATOM   3610  CB  SER B 652      -4.156 -10.727  -2.803  1.00 84.98           C  
+ATOM   3611  O   SER B 652      -4.882  -8.821  -0.561  1.00 84.98           O  
+ATOM   3612  OG  SER B 652      -2.770 -10.464  -2.943  1.00 84.98           O  
+ATOM   3613  N   TRP B 653      -4.019  -7.356  -2.068  1.00 85.67           N  
+ATOM   3614  CA  TRP B 653      -3.575  -6.411  -1.048  1.00 85.67           C  
+ATOM   3615  C   TRP B 653      -4.662  -5.384  -0.748  1.00 85.67           C  
+ATOM   3616  CB  TRP B 653      -2.294  -5.701  -1.494  1.00 85.67           C  
+ATOM   3617  O   TRP B 653      -4.482  -4.190  -0.997  1.00 85.67           O  
+ATOM   3618  CG  TRP B 653      -1.177  -6.633  -1.858  1.00 85.67           C  
+ATOM   3619  CD1 TRP B 653      -0.737  -6.941  -3.115  1.00 85.67           C  
+ATOM   3620  CD2 TRP B 653      -0.360  -7.382  -0.953  1.00 85.67           C  
+ATOM   3621  CE2 TRP B 653       0.556  -8.123  -1.732  1.00 85.67           C  
+ATOM   3622  CE3 TRP B 653      -0.313  -7.497   0.443  1.00 85.67           C  
+ATOM   3623  NE1 TRP B 653       0.305  -7.836  -3.046  1.00 85.67           N  
+ATOM   3624  CH2 TRP B 653       1.533  -9.064   0.208  1.00 85.67           C  
+ATOM   3625  CZ2 TRP B 653       1.509  -8.969  -1.160  1.00 85.67           C  
+ATOM   3626  CZ3 TRP B 653       0.636  -8.340   1.010  1.00 85.67           C  
+ATOM   3627  N   VAL B 654      -5.766  -5.870  -0.302  1.00 93.96           N  
+ATOM   3628  CA  VAL B 654      -6.948  -5.066  -0.010  1.00 93.96           C  
+ATOM   3629  C   VAL B 654      -6.859  -4.513   1.411  1.00 93.96           C  
+ATOM   3630  CB  VAL B 654      -8.248  -5.883  -0.183  1.00 93.96           C  
+ATOM   3631  O   VAL B 654      -6.378  -5.193   2.319  1.00 93.96           O  
+ATOM   3632  CG1 VAL B 654      -8.310  -7.020   0.836  1.00 93.96           C  
+ATOM   3633  CG2 VAL B 654      -9.470  -4.976  -0.052  1.00 93.96           C  
+ATOM   3634  N   MET B 655      -7.287  -3.292   1.605  1.00 94.93           N  
+ATOM   3635  CA  MET B 655      -7.169  -2.682   2.927  1.00 94.93           C  
+ATOM   3636  C   MET B 655      -8.525  -2.194   3.424  1.00 94.93           C  
+ATOM   3637  CB  MET B 655      -6.173  -1.521   2.897  1.00 94.93           C  
+ATOM   3638  O   MET B 655      -8.705  -1.960   4.620  1.00 94.93           O  
+ATOM   3639  CG  MET B 655      -4.727  -1.958   2.726  1.00 94.93           C  
+ATOM   3640  SD  MET B 655      -3.547  -0.564   2.897  1.00 94.93           S  
+ATOM   3641  CE  MET B 655      -3.649  -0.275   4.686  1.00 94.93           C  
+ATOM   3642  N   THR B 656      -9.517  -2.065   2.544  1.00 97.71           N  
+ATOM   3643  CA  THR B 656     -10.812  -1.521   2.936  1.00 97.71           C  
+ATOM   3644  C   THR B 656     -11.920  -2.062   2.037  1.00 97.71           C  
+ATOM   3645  CB  THR B 656     -10.810   0.018   2.883  1.00 97.71           C  
+ATOM   3646  O   THR B 656     -11.669  -2.439   0.891  1.00 97.71           O  
+ATOM   3647  CG2 THR B 656     -10.672   0.519   1.449  1.00 97.71           C  
+ATOM   3648  OG1 THR B 656     -12.038   0.511   3.434  1.00 97.71           O  
+ATOM   3649  N   CYS B 657     -13.094  -2.063   2.520  1.00 98.04           N  
+ATOM   3650  CA  CYS B 657     -14.312  -2.353   1.770  1.00 98.04           C  
+ATOM   3651  C   CYS B 657     -15.501  -1.594   2.347  1.00 98.04           C  
+ATOM   3652  CB  CYS B 657     -14.601  -3.853   1.777  1.00 98.04           C  
+ATOM   3653  O   CYS B 657     -15.485  -1.201   3.515  1.00 98.04           O  
+ATOM   3654  SG  CYS B 657     -14.951  -4.520   3.418  1.00 98.04           S  
+ATOM   3655  N   ALA B 658     -16.528  -1.365   1.484  1.00 98.08           N  
+ATOM   3656  CA  ALA B 658     -17.700  -0.632   1.956  1.00 98.08           C  
+ATOM   3657  C   ALA B 658     -18.942  -1.007   1.152  1.00 98.08           C  
+ATOM   3658  CB  ALA B 658     -17.454   0.872   1.878  1.00 98.08           C  
+ATOM   3659  O   ALA B 658     -18.864  -1.217  -0.061  1.00 98.08           O  
+ATOM   3660  N   TYR B 659     -20.016  -1.081   1.929  1.00 96.75           N  
+ATOM   3661  CA  TYR B 659     -21.328  -1.289   1.327  1.00 96.75           C  
+ATOM   3662  C   TYR B 659     -21.984   0.042   0.976  1.00 96.75           C  
+ATOM   3663  CB  TYR B 659     -22.234  -2.084   2.272  1.00 96.75           C  
+ATOM   3664  O   TYR B 659     -21.958   0.983   1.773  1.00 96.75           O  
+ATOM   3665  CG  TYR B 659     -22.540  -3.480   1.787  1.00 96.75           C  
+ATOM   3666  CD1 TYR B 659     -23.353  -3.690   0.674  1.00 96.75           C  
+ATOM   3667  CD2 TYR B 659     -22.020  -4.592   2.440  1.00 96.75           C  
+ATOM   3668  CE1 TYR B 659     -23.639  -4.974   0.225  1.00 96.75           C  
+ATOM   3669  CE2 TYR B 659     -22.300  -5.882   1.999  1.00 96.75           C  
+ATOM   3670  OH  TYR B 659     -23.390  -7.336   0.452  1.00 96.75           O  
+ATOM   3671  CZ  TYR B 659     -23.109  -6.062   0.892  1.00 96.75           C  
+ATOM   3672  N   ALA B 660     -22.563   0.135  -0.277  1.00 96.94           N  
+ATOM   3673  CA  ALA B 660     -23.374   1.304  -0.610  1.00 96.94           C  
+ATOM   3674  C   ALA B 660     -24.715   1.266   0.119  1.00 96.94           C  
+ATOM   3675  CB  ALA B 660     -23.594   1.386  -2.118  1.00 96.94           C  
+ATOM   3676  O   ALA B 660     -25.251   0.190   0.390  1.00 96.94           O  
+ATOM   3677  N   PRO B 661     -25.326   2.418   0.413  1.00 95.12           N  
+ATOM   3678  CA  PRO B 661     -26.592   2.473   1.148  1.00 95.12           C  
+ATOM   3679  C   PRO B 661     -27.709   1.695   0.457  1.00 95.12           C  
+ATOM   3680  CB  PRO B 661     -26.912   3.969   1.187  1.00 95.12           C  
+ATOM   3681  O   PRO B 661     -28.561   1.105   1.126  1.00 95.12           O  
+ATOM   3682  CG  PRO B 661     -25.580   4.646   1.141  1.00 95.12           C  
+ATOM   3683  CD  PRO B 661     -24.668   3.845   0.258  1.00 95.12           C  
+ATOM   3684  N   SER B 662     -27.659   1.658  -0.849  1.00 94.65           N  
+ATOM   3685  CA  SER B 662     -28.680   0.950  -1.614  1.00 94.65           C  
+ATOM   3686  C   SER B 662     -28.586  -0.557  -1.398  1.00 94.65           C  
+ATOM   3687  CB  SER B 662     -28.551   1.268  -3.104  1.00 94.65           C  
+ATOM   3688  O   SER B 662     -29.558  -1.283  -1.619  1.00 94.65           O  
+ATOM   3689  OG  SER B 662     -27.353   0.726  -3.633  1.00 94.65           O  
+ATOM   3690  N   GLY B 663     -27.342  -1.016  -1.067  1.00 93.37           N  
+ATOM   3691  CA  GLY B 663     -27.061  -2.439  -0.964  1.00 93.37           C  
+ATOM   3692  C   GLY B 663     -26.721  -3.078  -2.298  1.00 93.37           C  
+ATOM   3693  O   GLY B 663     -26.469  -4.283  -2.368  1.00 93.37           O  
+ATOM   3694  N   ASN B 664     -26.619  -2.259  -3.320  1.00 92.66           N  
+ATOM   3695  CA  ASN B 664     -26.418  -2.751  -4.679  1.00 92.66           C  
+ATOM   3696  C   ASN B 664     -24.943  -2.725  -5.072  1.00 92.66           C  
+ATOM   3697  CB  ASN B 664     -27.246  -1.935  -5.674  1.00 92.66           C  
+ATOM   3698  O   ASN B 664     -24.536  -3.407  -6.014  1.00 92.66           O  
+ATOM   3699  CG  ASN B 664     -28.737  -2.159  -5.515  1.00 92.66           C  
+ATOM   3700  ND2 ASN B 664     -29.528  -1.147  -5.852  1.00 92.66           N  
+ATOM   3701  OD1 ASN B 664     -29.174  -3.233  -5.092  1.00 92.66           O  
+ATOM   3702  N   TYR B 665     -24.144  -1.911  -4.367  1.00 96.13           N  
+ATOM   3703  CA  TYR B 665     -22.731  -1.764  -4.698  1.00 96.13           C  
+ATOM   3704  C   TYR B 665     -21.853  -2.062  -3.488  1.00 96.13           C  
+ATOM   3705  CB  TYR B 665     -22.444  -0.352  -5.217  1.00 96.13           C  
+ATOM   3706  O   TYR B 665     -22.241  -1.788  -2.350  1.00 96.13           O  
+ATOM   3707  CG  TYR B 665     -23.214   0.005  -6.465  1.00 96.13           C  
+ATOM   3708  CD1 TYR B 665     -22.817  -0.474  -7.712  1.00 96.13           C  
+ATOM   3709  CD2 TYR B 665     -24.338   0.821  -6.401  1.00 96.13           C  
+ATOM   3710  CE1 TYR B 665     -23.522  -0.146  -8.866  1.00 96.13           C  
+ATOM   3711  CE2 TYR B 665     -25.050   1.155  -7.548  1.00 96.13           C  
+ATOM   3712  OH  TYR B 665     -25.337   0.994  -9.912  1.00 96.13           O  
+ATOM   3713  CZ  TYR B 665     -24.636   0.667  -8.774  1.00 96.13           C  
+ATOM   3714  N   VAL B 666     -20.696  -2.625  -3.800  1.00 97.71           N  
+ATOM   3715  CA  VAL B 666     -19.626  -2.709  -2.811  1.00 97.71           C  
+ATOM   3716  C   VAL B 666     -18.333  -2.150  -3.400  1.00 97.71           C  
+ATOM   3717  CB  VAL B 666     -19.409  -4.161  -2.331  1.00 97.71           C  
+ATOM   3718  O   VAL B 666     -18.111  -2.225  -4.611  1.00 97.71           O  
+ATOM   3719  CG1 VAL B 666     -20.633  -4.667  -1.570  1.00 97.71           C  
+ATOM   3720  CG2 VAL B 666     -19.098  -5.074  -3.516  1.00 97.71           C  
+ATOM   3721  N   ALA B 667     -17.601  -1.539  -2.543  1.00 98.03           N  
+ATOM   3722  CA  ALA B 667     -16.323  -0.968  -2.960  1.00 98.03           C  
+ATOM   3723  C   ALA B 667     -15.165  -1.586  -2.182  1.00 98.03           C  
+ATOM   3724  CB  ALA B 667     -16.333   0.548  -2.778  1.00 98.03           C  
+ATOM   3725  O   ALA B 667     -15.341  -2.032  -1.046  1.00 98.03           O  
+ATOM   3726  N   CYS B 668     -14.008  -1.628  -2.838  1.00 97.81           N  
+ATOM   3727  CA  CYS B 668     -12.780  -2.042  -2.169  1.00 97.81           C  
+ATOM   3728  C   CYS B 668     -11.589  -1.229  -2.663  1.00 97.81           C  
+ATOM   3729  CB  CYS B 668     -12.522  -3.531  -2.397  1.00 97.81           C  
+ATOM   3730  O   CYS B 668     -11.635  -0.651  -3.750  1.00 97.81           O  
+ATOM   3731  SG  CYS B 668     -12.094  -3.943  -4.103  1.00 97.81           S  
+ATOM   3732  N   GLY B 669     -10.637  -1.145  -1.817  1.00 96.34           N  
+ATOM   3733  CA  GLY B 669      -9.395  -0.450  -2.117  1.00 96.34           C  
+ATOM   3734  C   GLY B 669      -8.217  -0.957  -1.306  1.00 96.34           C  
+ATOM   3735  O   GLY B 669      -8.400  -1.583  -0.261  1.00 96.34           O  
+ATOM   3736  N   GLY B 670      -6.989  -0.720  -1.842  1.00 94.14           N  
+ATOM   3737  CA  GLY B 670      -5.820  -1.201  -1.123  1.00 94.14           C  
+ATOM   3738  C   GLY B 670      -4.513  -0.698  -1.705  1.00 94.14           C  
+ATOM   3739  O   GLY B 670      -4.388   0.483  -2.036  1.00 94.14           O  
+ATOM   3740  N   LEU B 671      -3.506  -1.514  -1.861  1.00 88.61           N  
+ATOM   3741  CA  LEU B 671      -2.138  -1.126  -2.189  1.00 88.61           C  
+ATOM   3742  C   LEU B 671      -1.991  -0.868  -3.685  1.00 88.61           C  
+ATOM   3743  CB  LEU B 671      -1.153  -2.210  -1.747  1.00 88.61           C  
+ATOM   3744  O   LEU B 671      -0.957  -0.367  -4.134  1.00 88.61           O  
+ATOM   3745  CG  LEU B 671      -0.922  -2.344  -0.241  1.00 88.61           C  
+ATOM   3746  CD1 LEU B 671      -0.003  -3.525   0.052  1.00 88.61           C  
+ATOM   3747  CD2 LEU B 671      -0.341  -1.054   0.328  1.00 88.61           C  
+ATOM   3748  N   ASP B 672      -3.058  -1.131  -4.394  1.00 88.64           N  
+ATOM   3749  CA  ASP B 672      -2.994  -0.886  -5.832  1.00 88.64           C  
+ATOM   3750  C   ASP B 672      -3.441   0.535  -6.168  1.00 88.64           C  
+ATOM   3751  CB  ASP B 672      -3.855  -1.901  -6.587  1.00 88.64           C  
+ATOM   3752  O   ASP B 672      -3.567   0.890  -7.342  1.00 88.64           O  
+ATOM   3753  CG  ASP B 672      -5.307  -1.895  -6.142  1.00 88.64           C  
+ATOM   3754  OD1 ASP B 672      -5.658  -1.131  -5.216  1.00 88.64           O  
+ATOM   3755  OD2 ASP B 672      -6.107  -2.663  -6.719  1.00 88.64           O  
+ATOM   3756  N   ASN B 673      -3.783   1.310  -5.153  1.00 92.54           N  
+ATOM   3757  CA  ASN B 673      -4.112   2.730  -5.230  1.00 92.54           C  
+ATOM   3758  C   ASN B 673      -5.432   2.960  -5.960  1.00 92.54           C  
+ATOM   3759  CB  ASN B 673      -2.984   3.506  -5.913  1.00 92.54           C  
+ATOM   3760  O   ASN B 673      -5.768   4.096  -6.301  1.00 92.54           O  
+ATOM   3761  CG  ASN B 673      -1.649   3.330  -5.217  1.00 92.54           C  
+ATOM   3762  ND2 ASN B 673      -0.567   3.637  -5.922  1.00 92.54           N  
+ATOM   3763  OD1 ASN B 673      -1.591   2.920  -4.054  1.00 92.54           O  
+ATOM   3764  N   ILE B 674      -6.133   1.925  -6.239  1.00 94.09           N  
+ATOM   3765  CA  ILE B 674      -7.375   2.028  -6.999  1.00 94.09           C  
+ATOM   3766  C   ILE B 674      -8.557   1.650  -6.109  1.00 94.09           C  
+ATOM   3767  CB  ILE B 674      -7.343   1.131  -8.257  1.00 94.09           C  
+ATOM   3768  O   ILE B 674      -8.492   0.671  -5.362  1.00 94.09           O  
+ATOM   3769  CG1 ILE B 674      -6.190   1.544  -9.178  1.00 94.09           C  
+ATOM   3770  CG2 ILE B 674      -8.683   1.190  -8.996  1.00 94.09           C  
+ATOM   3771  CD1 ILE B 674      -5.948   0.585 -10.336  1.00 94.09           C  
+ATOM   3772  N   CYS B 675      -9.623   2.476  -6.179  1.00 96.89           N  
+ATOM   3773  CA  CYS B 675     -10.901   2.095  -5.587  1.00 96.89           C  
+ATOM   3774  C   CYS B 675     -11.797   1.414  -6.615  1.00 96.89           C  
+ATOM   3775  CB  CYS B 675     -11.610   3.318  -5.009  1.00 96.89           C  
+ATOM   3776  O   CYS B 675     -12.187   2.030  -7.609  1.00 96.89           O  
+ATOM   3777  SG  CYS B 675     -13.188   2.938  -4.216  1.00 96.89           S  
+ATOM   3778  N   SER B 676     -12.117   0.166  -6.394  1.00 96.99           N  
+ATOM   3779  CA  SER B 676     -12.937  -0.624  -7.307  1.00 96.99           C  
+ATOM   3780  C   SER B 676     -14.370  -0.744  -6.800  1.00 96.99           C  
+ATOM   3781  CB  SER B 676     -12.336  -2.017  -7.498  1.00 96.99           C  
+ATOM   3782  O   SER B 676     -14.596  -1.032  -5.623  1.00 96.99           O  
+ATOM   3783  OG  SER B 676     -11.026  -1.931  -8.032  1.00 96.99           O  
+ATOM   3784  N   ILE B 677     -15.341  -0.485  -7.698  1.00 97.14           N  
+ATOM   3785  CA  ILE B 677     -16.762  -0.571  -7.378  1.00 97.14           C  
+ATOM   3786  C   ILE B 677     -17.375  -1.783  -8.077  1.00 97.14           C  
+ATOM   3787  CB  ILE B 677     -17.512   0.718  -7.783  1.00 97.14           C  
+ATOM   3788  O   ILE B 677     -17.209  -1.959  -9.286  1.00 97.14           O  
+ATOM   3789  CG1 ILE B 677     -16.810   1.949  -7.200  1.00 97.14           C  
+ATOM   3790  CG2 ILE B 677     -18.974   0.656  -7.333  1.00 97.14           C  
+ATOM   3791  CD1 ILE B 677     -16.824   2.007  -5.678  1.00 97.14           C  
+ATOM   3792  N   TYR B 678     -18.065  -2.578  -7.291  1.00 95.71           N  
+ATOM   3793  CA  TYR B 678     -18.706  -3.778  -7.817  1.00 95.71           C  
+ATOM   3794  C   TYR B 678     -20.223  -3.670  -7.726  1.00 95.71           C  
+ATOM   3795  CB  TYR B 678     -18.224  -5.020  -7.061  1.00 95.71           C  
+ATOM   3796  O   TYR B 678     -20.760  -3.234  -6.705  1.00 95.71           O  
+ATOM   3797  CG  TYR B 678     -16.744  -5.281  -7.204  1.00 95.71           C  
+ATOM   3798  CD1 TYR B 678     -16.264  -6.173  -8.160  1.00 95.71           C  
+ATOM   3799  CD2 TYR B 678     -15.824  -4.638  -6.382  1.00 95.71           C  
+ATOM   3800  CE1 TYR B 678     -14.901  -6.419  -8.294  1.00 95.71           C  
+ATOM   3801  CE2 TYR B 678     -14.459  -4.876  -6.507  1.00 95.71           C  
+ATOM   3802  OH  TYR B 678     -12.658  -6.006  -7.592  1.00 95.71           O  
+ATOM   3803  CZ  TYR B 678     -14.008  -5.766  -7.464  1.00 95.71           C  
+ATOM   3804  N   ASN B 679     -20.807  -4.103  -8.787  1.00 93.19           N  
+ATOM   3805  CA  ASN B 679     -22.264  -4.165  -8.834  1.00 93.19           C  
+ATOM   3806  C   ASN B 679     -22.779  -5.551  -8.456  1.00 93.19           C  
+ATOM   3807  CB  ASN B 679     -22.774  -3.769 -10.221  1.00 93.19           C  
+ATOM   3808  O   ASN B 679     -22.462  -6.538  -9.122  1.00 93.19           O  
+ATOM   3809  CG  ASN B 679     -24.282  -3.615 -10.267  1.00 93.19           C  
+ATOM   3810  ND2 ASN B 679     -24.768  -2.821 -11.214  1.00 93.19           N  
+ATOM   3811  OD1 ASN B 679     -25.003  -4.204  -9.458  1.00 93.19           O  
+ATOM   3812  N   LEU B 680     -23.611  -5.538  -7.418  1.00 91.40           N  
+ATOM   3813  CA  LEU B 680     -24.052  -6.823  -6.886  1.00 91.40           C  
+ATOM   3814  C   LEU B 680     -25.298  -7.314  -7.614  1.00 91.40           C  
+ATOM   3815  CB  LEU B 680     -24.333  -6.713  -5.385  1.00 91.40           C  
+ATOM   3816  O   LEU B 680     -25.684  -8.477  -7.478  1.00 91.40           O  
+ATOM   3817  CG  LEU B 680     -23.144  -6.345  -4.497  1.00 91.40           C  
+ATOM   3818  CD1 LEU B 680     -23.589  -6.206  -3.045  1.00 91.40           C  
+ATOM   3819  CD2 LEU B 680     -22.038  -7.388  -4.624  1.00 91.40           C  
+ATOM   3820  N   LYS B 681     -25.900  -6.463  -8.440  1.00 83.30           N  
+ATOM   3821  CA  LYS B 681     -27.080  -6.842  -9.213  1.00 83.30           C  
+ATOM   3822  C   LYS B 681     -26.685  -7.477 -10.543  1.00 83.30           C  
+ATOM   3823  CB  LYS B 681     -27.975  -5.626  -9.457  1.00 83.30           C  
+ATOM   3824  O   LYS B 681     -26.097  -6.816 -11.402  1.00 83.30           O  
+ATOM   3825  CG  LYS B 681     -28.724  -5.151  -8.221  1.00 83.30           C  
+ATOM   3826  CD  LYS B 681     -29.773  -4.103  -8.572  1.00 83.30           C  
+ATOM   3827  CE  LYS B 681     -30.568  -3.674  -7.346  1.00 83.30           C  
+ATOM   3828  NZ  LYS B 681     -31.591  -2.639  -7.684  1.00 83.30           N  
+ATOM   3829  N   THR B 682     -26.378  -8.753 -10.557  1.00 68.50           N  
+ATOM   3830  CA  THR B 682     -26.044  -9.365 -11.838  1.00 68.50           C  
+ATOM   3831  C   THR B 682     -27.010 -10.500 -12.164  1.00 68.50           C  
+ATOM   3832  CB  THR B 682     -24.600  -9.900 -11.841  1.00 68.50           C  
+ATOM   3833  O   THR B 682     -27.517 -11.169 -11.261  1.00 68.50           O  
+ATOM   3834  CG2 THR B 682     -23.605  -8.802 -11.479  1.00 68.50           C  
+ATOM   3835  OG1 THR B 682     -24.488 -10.964 -10.888  1.00 68.50           O  
+ATOM   3836  N   ARG B 683     -27.554 -10.566 -13.466  1.00 56.77           N  
+ATOM   3837  CA  ARG B 683     -28.457 -11.555 -14.046  1.00 56.77           C  
+ATOM   3838  C   ARG B 683     -27.736 -12.876 -14.292  1.00 56.77           C  
+ATOM   3839  CB  ARG B 683     -29.056 -11.034 -15.354  1.00 56.77           C  
+ATOM   3840  O   ARG B 683     -28.325 -13.948 -14.141  1.00 56.77           O  
+ATOM   3841  CG  ARG B 683     -30.163 -10.010 -15.159  1.00 56.77           C  
+ATOM   3842  CD  ARG B 683     -30.837  -9.651 -16.476  1.00 56.77           C  
+ATOM   3843  NE  ARG B 683     -31.916  -8.685 -16.284  1.00 56.77           N  
+ATOM   3844  NH1 ARG B 683     -32.729  -8.852 -18.440  1.00 56.77           N  
+ATOM   3845  NH2 ARG B 683     -33.731  -7.440 -16.938  1.00 56.77           N  
+ATOM   3846  CZ  ARG B 683     -32.789  -8.328 -17.221  1.00 56.77           C  
+ATOM   3847  N   GLU B 684     -26.236 -12.925 -14.194  1.00 57.13           N  
+ATOM   3848  CA  GLU B 684     -25.414 -14.037 -14.662  1.00 57.13           C  
+ATOM   3849  C   GLU B 684     -24.500 -14.552 -13.553  1.00 57.13           C  
+ATOM   3850  CB  GLU B 684     -24.583 -13.619 -15.877  1.00 57.13           C  
+ATOM   3851  O   GLU B 684     -23.718 -15.481 -13.768  1.00 57.13           O  
+ATOM   3852  CG  GLU B 684     -25.403 -13.412 -17.142  1.00 57.13           C  
+ATOM   3853  CD  GLU B 684     -24.555 -13.079 -18.359  1.00 57.13           C  
+ATOM   3854  OE1 GLU B 684     -25.117 -12.933 -19.469  1.00 57.13           O  
+ATOM   3855  OE2 GLU B 684     -23.319 -12.964 -18.203  1.00 57.13           O  
+ATOM   3856  N   GLY B 685     -24.893 -14.141 -12.145  1.00 63.24           N  
+ATOM   3857  CA  GLY B 685     -24.284 -14.768 -10.983  1.00 63.24           C  
+ATOM   3858  C   GLY B 685     -22.830 -14.378 -10.789  1.00 63.24           C  
+ATOM   3859  O   GLY B 685     -22.282 -14.532  -9.696  1.00 63.24           O  
+ATOM   3860  N   ASN B 686     -22.072 -13.690 -11.893  1.00 72.50           N  
+ATOM   3861  CA  ASN B 686     -20.706 -13.222 -11.684  1.00 72.50           C  
+ATOM   3862  C   ASN B 686     -20.654 -11.708 -11.496  1.00 72.50           C  
+ATOM   3863  CB  ASN B 686     -19.810 -13.644 -12.850  1.00 72.50           C  
+ATOM   3864  O   ASN B 686     -21.191 -10.959 -12.314  1.00 72.50           O  
+ATOM   3865  CG  ASN B 686     -19.551 -15.137 -12.878  1.00 72.50           C  
+ATOM   3866  ND2 ASN B 686     -19.225 -15.661 -14.053  1.00 72.50           N  
+ATOM   3867  OD1 ASN B 686     -19.645 -15.815 -11.851  1.00 72.50           O  
+ATOM   3868  N   VAL B 687     -20.261 -11.285 -10.363  1.00 84.48           N  
+ATOM   3869  CA  VAL B 687     -20.121  -9.872 -10.026  1.00 84.48           C  
+ATOM   3870  C   VAL B 687     -18.870  -9.303 -10.692  1.00 84.48           C  
+ATOM   3871  CB  VAL B 687     -20.055  -9.658  -8.497  1.00 84.48           C  
+ATOM   3872  O   VAL B 687     -17.773  -9.843 -10.532  1.00 84.48           O  
+ATOM   3873  CG1 VAL B 687     -19.911  -8.173  -8.166  1.00 84.48           C  
+ATOM   3874  CG2 VAL B 687     -21.295 -10.241  -7.822  1.00 84.48           C  
+ATOM   3875  N   ARG B 688     -19.060  -8.310 -11.599  1.00 83.72           N  
+ATOM   3876  CA  ARG B 688     -17.944  -7.668 -12.286  1.00 83.72           C  
+ATOM   3877  C   ARG B 688     -17.716  -6.255 -11.760  1.00 83.72           C  
+ATOM   3878  CB  ARG B 688     -18.191  -7.631 -13.796  1.00 83.72           C  
+ATOM   3879  O   ARG B 688     -18.604  -5.667 -11.139  1.00 83.72           O  
+ATOM   3880  CG  ARG B 688     -18.289  -9.006 -14.438  1.00 83.72           C  
+ATOM   3881  CD  ARG B 688     -18.451  -8.912 -15.949  1.00 83.72           C  
+ATOM   3882  NE  ARG B 688     -18.548 -10.233 -16.563  1.00 83.72           N  
+ATOM   3883  NH1 ARG B 688     -18.470  -9.456 -18.737  1.00 83.72           N  
+ATOM   3884  NH2 ARG B 688     -18.649 -11.704 -18.325  1.00 83.72           N  
+ATOM   3885  CZ  ARG B 688     -18.556 -10.461 -17.874  1.00 83.72           C  
+ATOM   3886  N   VAL B 689     -16.503  -5.878 -12.075  1.00 89.85           N  
+ATOM   3887  CA  VAL B 689     -16.135  -4.520 -11.684  1.00 89.85           C  
+ATOM   3888  C   VAL B 689     -16.958  -3.512 -12.483  1.00 89.85           C  
+ATOM   3889  CB  VAL B 689     -14.626  -4.260 -11.890  1.00 89.85           C  
+ATOM   3890  O   VAL B 689     -16.975  -3.553 -13.715  1.00 89.85           O  
+ATOM   3891  CG1 VAL B 689     -14.266  -2.830 -11.490  1.00 89.85           C  
+ATOM   3892  CG2 VAL B 689     -13.798  -5.266 -11.094  1.00 89.85           C  
+ATOM   3893  N   SER B 690     -17.720  -2.615 -11.793  1.00 90.89           N  
+ATOM   3894  CA  SER B 690     -18.537  -1.587 -12.430  1.00 90.89           C  
+ATOM   3895  C   SER B 690     -17.703  -0.361 -12.787  1.00 90.89           C  
+ATOM   3896  CB  SER B 690     -19.694  -1.179 -11.517  1.00 90.89           C  
+ATOM   3897  O   SER B 690     -17.845   0.196 -13.878  1.00 90.89           O  
+ATOM   3898  OG  SER B 690     -20.485  -0.173 -12.126  1.00 90.89           O  
+ATOM   3899  N   ARG B 691     -16.803  -0.028 -11.821  1.00 93.78           N  
+ATOM   3900  CA  ARG B 691     -15.988   1.167 -12.011  1.00 93.78           C  
+ATOM   3901  C   ARG B 691     -14.686   1.074 -11.222  1.00 93.78           C  
+ATOM   3902  CB  ARG B 691     -16.764   2.419 -11.595  1.00 93.78           C  
+ATOM   3903  O   ARG B 691     -14.675   0.593 -10.087  1.00 93.78           O  
+ATOM   3904  CG  ARG B 691     -16.297   3.691 -12.284  1.00 93.78           C  
+ATOM   3905  CD  ARG B 691     -16.637   3.686 -13.768  1.00 93.78           C  
+ATOM   3906  NE  ARG B 691     -17.852   4.447 -14.045  1.00 93.78           N  
+ATOM   3907  NH1 ARG B 691     -17.907   3.936 -16.297  1.00 93.78           N  
+ATOM   3908  NH2 ARG B 691     -19.532   5.267 -15.379  1.00 93.78           N  
+ATOM   3909  CZ  ARG B 691     -18.428   4.549 -15.240  1.00 93.78           C  
+ATOM   3910  N   GLU B 692     -13.608   1.676 -11.868  1.00 95.09           N  
+ATOM   3911  CA  GLU B 692     -12.333   1.838 -11.176  1.00 95.09           C  
+ATOM   3912  C   GLU B 692     -11.970   3.313 -11.024  1.00 95.09           C  
+ATOM   3913  CB  GLU B 692     -11.219   1.097 -11.920  1.00 95.09           C  
+ATOM   3914  O   GLU B 692     -11.963   4.060 -12.005  1.00 95.09           O  
+ATOM   3915  CG  GLU B 692     -11.347  -0.419 -11.867  1.00 95.09           C  
+ATOM   3916  CD  GLU B 692     -10.185  -1.143 -12.527  1.00 95.09           C  
+ATOM   3917  OE1 GLU B 692     -10.011  -2.359 -12.286  1.00 95.09           O  
+ATOM   3918  OE2 GLU B 692      -9.441  -0.488 -13.291  1.00 95.09           O  
+ATOM   3919  N   LEU B 693     -11.810   3.640  -9.806  1.00 96.01           N  
+ATOM   3920  CA  LEU B 693     -11.464   5.026  -9.510  1.00 96.01           C  
+ATOM   3921  C   LEU B 693      -9.974   5.164  -9.217  1.00 96.01           C  
+ATOM   3922  CB  LEU B 693     -12.279   5.539  -8.320  1.00 96.01           C  
+ATOM   3923  O   LEU B 693      -9.521   4.842  -8.117  1.00 96.01           O  
+ATOM   3924  CG  LEU B 693     -13.783   5.260  -8.358  1.00 96.01           C  
+ATOM   3925  CD1 LEU B 693     -14.442   5.732  -7.066  1.00 96.01           C  
+ATOM   3926  CD2 LEU B 693     -14.422   5.934  -9.567  1.00 96.01           C  
+ATOM   3927  N   ALA B 694      -9.227   5.636 -10.284  1.00 92.48           N  
+ATOM   3928  CA  ALA B 694      -7.769   5.713 -10.229  1.00 92.48           C  
+ATOM   3929  C   ALA B 694      -7.300   7.161 -10.121  1.00 92.48           C  
+ATOM   3930  CB  ALA B 694      -7.155   5.048 -11.459  1.00 92.48           C  
+ATOM   3931  O   ALA B 694      -7.508   7.958 -11.039  1.00 92.48           O  
+ATOM   3932  N   GLY B 695      -6.917   7.628  -8.959  1.00 88.81           N  
+ATOM   3933  CA  GLY B 695      -6.491   9.007  -8.779  1.00 88.81           C  
+ATOM   3934  C   GLY B 695      -5.516   9.185  -7.630  1.00 88.81           C  
+ATOM   3935  O   GLY B 695      -4.683  10.093  -7.652  1.00 88.81           O  
+ATOM   3936  N   HIS B 696      -5.468   8.302  -6.775  1.00 93.63           N  
+ATOM   3937  CA  HIS B 696      -4.551   8.375  -5.643  1.00 93.63           C  
+ATOM   3938  C   HIS B 696      -3.152   7.913  -6.036  1.00 93.63           C  
+ATOM   3939  CB  HIS B 696      -5.073   7.534  -4.476  1.00 93.63           C  
+ATOM   3940  O   HIS B 696      -2.999   7.058  -6.912  1.00 93.63           O  
+ATOM   3941  CG  HIS B 696      -6.137   8.213  -3.675  1.00 93.63           C  
+ATOM   3942  CD2 HIS B 696      -7.414   7.853  -3.406  1.00 93.63           C  
+ATOM   3943  ND1 HIS B 696      -5.935   9.422  -3.043  1.00 93.63           N  
+ATOM   3944  CE1 HIS B 696      -7.046   9.775  -2.418  1.00 93.63           C  
+ATOM   3945  NE2 HIS B 696      -7.958   8.841  -2.622  1.00 93.63           N  
+ATOM   3946  N   THR B 697      -2.070   8.446  -5.443  1.00 91.07           N  
+ATOM   3947  CA  THR B 697      -0.678   8.078  -5.681  1.00 91.07           C  
+ATOM   3948  C   THR B 697      -0.138   7.232  -4.532  1.00 91.07           C  
+ATOM   3949  CB  THR B 697       0.206   9.326  -5.864  1.00 91.07           C  
+ATOM   3950  O   THR B 697       1.061   6.955  -4.469  1.00 91.07           O  
+ATOM   3951  CG2 THR B 697      -0.230  10.136  -7.080  1.00 91.07           C  
+ATOM   3952  OG1 THR B 697       0.107  10.149  -4.695  1.00 91.07           O  
+ATOM   3953  N   GLY B 698      -0.990   6.915  -3.571  1.00 88.21           N  
+ATOM   3954  CA  GLY B 698      -0.706   6.056  -2.432  1.00 88.21           C  
+ATOM   3955  C   GLY B 698      -1.789   5.024  -2.179  1.00 88.21           C  
+ATOM   3956  O   GLY B 698      -2.840   5.048  -2.822  1.00 88.21           O  
+ATOM   3957  N   TYR B 699      -1.544   4.028  -1.264  1.00 93.21           N  
+ATOM   3958  CA  TYR B 699      -2.515   2.972  -1.003  1.00 93.21           C  
+ATOM   3959  C   TYR B 699      -3.799   3.544  -0.413  1.00 93.21           C  
+ATOM   3960  CB  TYR B 699      -1.927   1.923  -0.054  1.00 93.21           C  
+ATOM   3961  O   TYR B 699      -3.774   4.582   0.252  1.00 93.21           O  
+ATOM   3962  CG  TYR B 699      -1.489   2.486   1.276  1.00 93.21           C  
+ATOM   3963  CD1 TYR B 699      -0.163   2.852   1.497  1.00 93.21           C  
+ATOM   3964  CD2 TYR B 699      -2.399   2.653   2.314  1.00 93.21           C  
+ATOM   3965  CE1 TYR B 699       0.246   3.369   2.721  1.00 93.21           C  
+ATOM   3966  CE2 TYR B 699      -2.001   3.170   3.543  1.00 93.21           C  
+ATOM   3967  OH  TYR B 699      -0.279   4.036   4.951  1.00 93.21           O  
+ATOM   3968  CZ  TYR B 699      -0.678   3.525   3.737  1.00 93.21           C  
+ATOM   3969  N   LEU B 700      -4.890   2.839  -0.724  1.00 96.71           N  
+ATOM   3970  CA  LEU B 700      -6.173   3.220  -0.143  1.00 96.71           C  
+ATOM   3971  C   LEU B 700      -6.365   2.572   1.224  1.00 96.71           C  
+ATOM   3972  CB  LEU B 700      -7.322   2.825  -1.074  1.00 96.71           C  
+ATOM   3973  O   LEU B 700      -6.290   1.348   1.350  1.00 96.71           O  
+ATOM   3974  CG  LEU B 700      -7.600   3.768  -2.246  1.00 96.71           C  
+ATOM   3975  CD1 LEU B 700      -6.594   3.531  -3.368  1.00 96.71           C  
+ATOM   3976  CD2 LEU B 700      -9.026   3.586  -2.753  1.00 96.71           C  
+ATOM   3977  N   SER B 701      -6.514   3.409   2.183  1.00 96.81           N  
+ATOM   3978  CA  SER B 701      -6.614   2.914   3.552  1.00 96.81           C  
+ATOM   3979  C   SER B 701      -8.069   2.727   3.968  1.00 96.81           C  
+ATOM   3980  CB  SER B 701      -5.917   3.870   4.520  1.00 96.81           C  
+ATOM   3981  O   SER B 701      -8.375   1.883   4.813  1.00 96.81           O  
+ATOM   3982  OG  SER B 701      -6.468   5.172   4.425  1.00 96.81           O  
+ATOM   3983  N   CYS B 702      -9.059   3.513   3.502  1.00 97.94           N  
+ATOM   3984  CA  CYS B 702     -10.470   3.438   3.864  1.00 97.94           C  
+ATOM   3985  C   CYS B 702     -11.345   4.050   2.776  1.00 97.94           C  
+ATOM   3986  CB  CYS B 702     -10.721   4.150   5.193  1.00 97.94           C  
+ATOM   3987  O   CYS B 702     -10.926   4.981   2.086  1.00 97.94           O  
+ATOM   3988  SG  CYS B 702     -12.390   3.911   5.842  1.00 97.94           S  
+ATOM   3989  N   CYS B 703     -12.586   3.511   2.609  1.00 97.98           N  
+ATOM   3990  CA  CYS B 703     -13.567   4.074   1.688  1.00 97.98           C  
+ATOM   3991  C   CYS B 703     -14.972   4.001   2.276  1.00 97.98           C  
+ATOM   3992  CB  CYS B 703     -13.527   3.340   0.348  1.00 97.98           C  
+ATOM   3993  O   CYS B 703     -15.318   3.027   2.947  1.00 97.98           O  
+ATOM   3994  SG  CYS B 703     -13.974   1.593   0.461  1.00 97.98           S  
+ATOM   3995  N   ARG B 704     -15.803   5.042   2.035  1.00 98.01           N  
+ATOM   3996  CA  ARG B 704     -17.185   5.103   2.500  1.00 98.01           C  
+ATOM   3997  C   ARG B 704     -18.081   5.778   1.467  1.00 98.01           C  
+ATOM   3998  CB  ARG B 704     -17.271   5.847   3.835  1.00 98.01           C  
+ATOM   3999  O   ARG B 704     -17.716   6.809   0.899  1.00 98.01           O  
+ATOM   4000  CG  ARG B 704     -16.605   5.118   4.991  1.00 98.01           C  
+ATOM   4001  CD  ARG B 704     -17.356   3.847   5.363  1.00 98.01           C  
+ATOM   4002  NE  ARG B 704     -16.796   3.221   6.557  1.00 98.01           N  
+ATOM   4003  NH1 ARG B 704     -15.309   1.878   5.407  1.00 98.01           N  
+ATOM   4004  NH2 ARG B 704     -15.401   1.796   7.696  1.00 98.01           N  
+ATOM   4005  CZ  ARG B 704     -15.837   2.299   6.551  1.00 98.01           C  
+ATOM   4006  N   PHE B 705     -19.234   5.099   1.188  1.00 97.95           N  
+ATOM   4007  CA  PHE B 705     -20.214   5.675   0.276  1.00 97.95           C  
+ATOM   4008  C   PHE B 705     -20.990   6.799   0.953  1.00 97.95           C  
+ATOM   4009  CB  PHE B 705     -21.181   4.599  -0.227  1.00 97.95           C  
+ATOM   4010  O   PHE B 705     -21.468   6.639   2.078  1.00 97.95           O  
+ATOM   4011  CG  PHE B 705     -20.582   3.676  -1.254  1.00 97.95           C  
+ATOM   4012  CD1 PHE B 705     -20.629   3.994  -2.606  1.00 97.95           C  
+ATOM   4013  CD2 PHE B 705     -19.970   2.491  -0.866  1.00 97.95           C  
+ATOM   4014  CE1 PHE B 705     -20.075   3.141  -3.558  1.00 97.95           C  
+ATOM   4015  CE2 PHE B 705     -19.415   1.634  -1.813  1.00 97.95           C  
+ATOM   4016  CZ  PHE B 705     -19.469   1.961  -3.158  1.00 97.95           C  
+ATOM   4017  N   LEU B 706     -20.986   7.948   0.270  1.00 96.32           N  
+ATOM   4018  CA  LEU B 706     -21.939   8.974   0.683  1.00 96.32           C  
+ATOM   4019  C   LEU B 706     -23.358   8.593   0.274  1.00 96.32           C  
+ATOM   4020  CB  LEU B 706     -21.565  10.328   0.075  1.00 96.32           C  
+ATOM   4021  O   LEU B 706     -24.298   8.755   1.055  1.00 96.32           O  
+ATOM   4022  CG  LEU B 706     -20.468  11.115   0.794  1.00 96.32           C  
+ATOM   4023  CD1 LEU B 706     -19.092  10.671   0.308  1.00 96.32           C  
+ATOM   4024  CD2 LEU B 706     -20.658  12.613   0.583  1.00 96.32           C  
+ATOM   4025  N   ASP B 707     -23.419   8.129  -0.909  1.00 96.13           N  
+ATOM   4026  CA  ASP B 707     -24.583   7.554  -1.577  1.00 96.13           C  
+ATOM   4027  C   ASP B 707     -24.161   6.646  -2.730  1.00 96.13           C  
+ATOM   4028  CB  ASP B 707     -25.507   8.660  -2.089  1.00 96.13           C  
+ATOM   4029  O   ASP B 707     -22.985   6.300  -2.856  1.00 96.13           O  
+ATOM   4030  CG  ASP B 707     -24.829   9.588  -3.082  1.00 96.13           C  
+ATOM   4031  OD1 ASP B 707     -24.124   9.098  -3.991  1.00 96.13           O  
+ATOM   4032  OD2 ASP B 707     -24.999  10.819  -2.953  1.00 96.13           O  
+ATOM   4033  N   ASP B 708     -25.123   6.235  -3.545  1.00 95.21           N  
+ATOM   4034  CA  ASP B 708     -24.819   5.276  -4.603  1.00 95.21           C  
+ATOM   4035  C   ASP B 708     -24.008   5.928  -5.719  1.00 95.21           C  
+ATOM   4036  CB  ASP B 708     -26.108   4.677  -5.170  1.00 95.21           C  
+ATOM   4037  O   ASP B 708     -23.412   5.236  -6.547  1.00 95.21           O  
+ATOM   4038  CG  ASP B 708     -26.704   3.601  -4.279  1.00 95.21           C  
+ATOM   4039  OD1 ASP B 708     -26.221   3.414  -3.142  1.00 95.21           O  
+ATOM   4040  OD2 ASP B 708     -27.664   2.932  -4.721  1.00 95.21           O  
+ATOM   4041  N   ASN B 709     -23.890   7.298  -5.652  1.00 96.95           N  
+ATOM   4042  CA  ASN B 709     -23.233   8.010  -6.743  1.00 96.95           C  
+ATOM   4043  C   ASN B 709     -21.891   8.590  -6.306  1.00 96.95           C  
+ATOM   4044  CB  ASN B 709     -24.140   9.118  -7.283  1.00 96.95           C  
+ATOM   4045  O   ASN B 709     -21.065   8.954  -7.145  1.00 96.95           O  
+ATOM   4046  CG  ASN B 709     -25.398   8.578  -7.933  1.00 96.95           C  
+ATOM   4047  ND2 ASN B 709     -26.501   9.302  -7.782  1.00 96.95           N  
+ATOM   4048  OD1 ASN B 709     -25.380   7.518  -8.564  1.00 96.95           O  
+ATOM   4049  N   GLN B 710     -21.724   8.697  -5.076  1.00 97.67           N  
+ATOM   4050  CA  GLN B 710     -20.502   9.325  -4.583  1.00 97.67           C  
+ATOM   4051  C   GLN B 710     -19.854   8.483  -3.489  1.00 97.67           C  
+ATOM   4052  CB  GLN B 710     -20.795  10.732  -4.059  1.00 97.67           C  
+ATOM   4053  O   GLN B 710     -20.549   7.863  -2.681  1.00 97.67           O  
+ATOM   4054  CG  GLN B 710     -21.238  11.711  -5.138  1.00 97.67           C  
+ATOM   4055  CD  GLN B 710     -21.460  13.113  -4.603  1.00 97.67           C  
+ATOM   4056  NE2 GLN B 710     -21.266  14.112  -5.458  1.00 97.67           N  
+ATOM   4057  OE1 GLN B 710     -21.804  13.297  -3.431  1.00 97.67           O  
+ATOM   4058  N   ILE B 711     -18.523   8.564  -3.438  1.00 98.31           N  
+ATOM   4059  CA  ILE B 711     -17.763   7.833  -2.429  1.00 98.31           C  
+ATOM   4060  C   ILE B 711     -16.554   8.659  -1.995  1.00 98.31           C  
+ATOM   4061  CB  ILE B 711     -17.308   6.453  -2.954  1.00 98.31           C  
+ATOM   4062  O   ILE B 711     -15.958   9.373  -2.806  1.00 98.31           O  
+ATOM   4063  CG1 ILE B 711     -16.670   5.636  -1.825  1.00 98.31           C  
+ATOM   4064  CG2 ILE B 711     -16.339   6.614  -4.129  1.00 98.31           C  
+ATOM   4065  CD1 ILE B 711     -16.444   4.171  -2.173  1.00 98.31           C  
+ATOM   4066  N   VAL B 712     -16.218   8.535  -0.681  1.00 98.20           N  
+ATOM   4067  CA  VAL B 712     -15.038   9.204  -0.146  1.00 98.20           C  
+ATOM   4068  C   VAL B 712     -13.959   8.172   0.174  1.00 98.20           C  
+ATOM   4069  CB  VAL B 712     -15.377  10.030   1.116  1.00 98.20           C  
+ATOM   4070  O   VAL B 712     -14.250   7.115   0.739  1.00 98.20           O  
+ATOM   4071  CG1 VAL B 712     -14.136  10.751   1.639  1.00 98.20           C  
+ATOM   4072  CG2 VAL B 712     -16.492  11.029   0.815  1.00 98.20           C  
+ATOM   4073  N   THR B 713     -12.694   8.532  -0.196  1.00 98.40           N  
+ATOM   4074  CA  THR B 713     -11.579   7.623   0.045  1.00 98.40           C  
+ATOM   4075  C   THR B 713     -10.468   8.323   0.821  1.00 98.40           C  
+ATOM   4076  CB  THR B 713     -11.015   7.068  -1.277  1.00 98.40           C  
+ATOM   4077  O   THR B 713     -10.299   9.539   0.712  1.00 98.40           O  
+ATOM   4078  CG2 THR B 713     -12.087   6.319  -2.061  1.00 98.40           C  
+ATOM   4079  OG1 THR B 713     -10.526   8.154  -2.073  1.00 98.40           O  
+ATOM   4080  N   SER B 714      -9.787   7.561   1.677  1.00 97.98           N  
+ATOM   4081  CA  SER B 714      -8.560   8.019   2.321  1.00 97.98           C  
+ATOM   4082  C   SER B 714      -7.349   7.239   1.821  1.00 97.98           C  
+ATOM   4083  CB  SER B 714      -8.671   7.885   3.841  1.00 97.98           C  
+ATOM   4084  O   SER B 714      -7.453   6.050   1.514  1.00 97.98           O  
+ATOM   4085  OG  SER B 714      -8.767   6.523   4.220  1.00 97.98           O  
+ATOM   4086  N   SER B 715      -6.161   7.941   1.771  1.00 97.78           N  
+ATOM   4087  CA  SER B 715      -5.043   7.331   1.060  1.00 97.78           C  
+ATOM   4088  C   SER B 715      -3.721   7.607   1.769  1.00 97.78           C  
+ATOM   4089  CB  SER B 715      -4.977   7.845  -0.378  1.00 97.78           C  
+ATOM   4090  O   SER B 715      -3.615   8.556   2.548  1.00 97.78           O  
+ATOM   4091  OG  SER B 715      -3.821   7.353  -1.036  1.00 97.78           O  
+ATOM   4092  N   GLY B 716      -2.729   6.713   1.439  1.00 94.57           N  
+ATOM   4093  CA  GLY B 716      -1.359   6.891   1.894  1.00 94.57           C  
+ATOM   4094  C   GLY B 716      -0.656   8.060   1.228  1.00 94.57           C  
+ATOM   4095  O   GLY B 716       0.510   8.335   1.517  1.00 94.57           O  
+ATOM   4096  N   ASP B 717      -1.296   8.734   0.376  1.00 94.72           N  
+ATOM   4097  CA  ASP B 717      -0.741   9.918  -0.273  1.00 94.72           C  
+ATOM   4098  C   ASP B 717      -1.050  11.179   0.530  1.00 94.72           C  
+ATOM   4099  CB  ASP B 717      -1.283  10.054  -1.697  1.00 94.72           C  
+ATOM   4100  O   ASP B 717      -0.912  12.294   0.022  1.00 94.72           O  
+ATOM   4101  CG  ASP B 717      -2.778  10.320  -1.739  1.00 94.72           C  
+ATOM   4102  OD1 ASP B 717      -3.385  10.559  -0.673  1.00 94.72           O  
+ATOM   4103  OD2 ASP B 717      -3.353  10.288  -2.848  1.00 94.72           O  
+ATOM   4104  N   THR B 718      -1.549  11.007   1.698  1.00 96.92           N  
+ATOM   4105  CA  THR B 718      -1.792  12.021   2.718  1.00 96.92           C  
+ATOM   4106  C   THR B 718      -3.069  12.800   2.414  1.00 96.92           C  
+ATOM   4107  CB  THR B 718      -0.607  12.997   2.830  1.00 96.92           C  
+ATOM   4108  O   THR B 718      -3.299  13.870   2.980  1.00 96.92           O  
+ATOM   4109  CG2 THR B 718       0.705  12.247   3.041  1.00 96.92           C  
+ATOM   4110  OG1 THR B 718      -0.515  13.768   1.626  1.00 96.92           O  
+ATOM   4111  N   THR B 719      -3.881  12.344   1.473  1.00 97.39           N  
+ATOM   4112  CA  THR B 719      -5.093  13.060   1.092  1.00 97.39           C  
+ATOM   4113  C   THR B 719      -6.318  12.160   1.228  1.00 97.39           C  
+ATOM   4114  CB  THR B 719      -4.999  13.589  -0.351  1.00 97.39           C  
+ATOM   4115  O   THR B 719      -6.191  10.936   1.304  1.00 97.39           O  
+ATOM   4116  CG2 THR B 719      -3.741  14.428  -0.549  1.00 97.39           C  
+ATOM   4117  OG1 THR B 719      -4.968  12.481  -1.259  1.00 97.39           O  
+ATOM   4118  N   CYS B 720      -7.516  12.794   1.310  1.00 98.10           N  
+ATOM   4119  CA  CYS B 720      -8.819  12.193   1.048  1.00 98.10           C  
+ATOM   4120  C   CYS B 720      -9.404  12.708  -0.262  1.00 98.10           C  
+ATOM   4121  CB  CYS B 720      -9.784  12.482   2.197  1.00 98.10           C  
+ATOM   4122  O   CYS B 720      -9.043  13.792  -0.723  1.00 98.10           O  
+ATOM   4123  SG  CYS B 720      -9.217  11.866   3.797  1.00 98.10           S  
+ATOM   4124  N   ALA B 721     -10.249  11.886  -0.830  1.00 97.71           N  
+ATOM   4125  CA  ALA B 721     -10.820  12.312  -2.105  1.00 97.71           C  
+ATOM   4126  C   ALA B 721     -12.300  11.952  -2.191  1.00 97.71           C  
+ATOM   4127  CB  ALA B 721     -10.054  11.684  -3.268  1.00 97.71           C  
+ATOM   4128  O   ALA B 721     -12.715  10.888  -1.725  1.00 97.71           O  
+ATOM   4129  N   LEU B 722     -13.067  12.879  -2.716  1.00 98.02           N  
+ATOM   4130  CA  LEU B 722     -14.461  12.644  -3.077  1.00 98.02           C  
+ATOM   4131  C   LEU B 722     -14.588  12.297  -4.556  1.00 98.02           C  
+ATOM   4132  CB  LEU B 722     -15.313  13.874  -2.754  1.00 98.02           C  
+ATOM   4133  O   LEU B 722     -14.069  13.016  -5.414  1.00 98.02           O  
+ATOM   4134  CG  LEU B 722     -16.808  13.763  -3.061  1.00 98.02           C  
+ATOM   4135  CD1 LEU B 722     -17.446  12.679  -2.199  1.00 98.02           C  
+ATOM   4136  CD2 LEU B 722     -17.500  15.104  -2.841  1.00 98.02           C  
+ATOM   4137  N   TRP B 723     -15.353  11.171  -4.795  1.00 97.97           N  
+ATOM   4138  CA  TRP B 723     -15.427  10.654  -6.157  1.00 97.97           C  
+ATOM   4139  C   TRP B 723     -16.869  10.633  -6.654  1.00 97.97           C  
+ATOM   4140  CB  TRP B 723     -14.827   9.248  -6.232  1.00 97.97           C  
+ATOM   4141  O   TRP B 723     -17.792  10.345  -5.888  1.00 97.97           O  
+ATOM   4142  CG  TRP B 723     -13.401   9.169  -5.775  1.00 97.97           C  
+ATOM   4143  CD1 TRP B 723     -12.953   9.067  -4.488  1.00 97.97           C  
+ATOM   4144  CD2 TRP B 723     -12.236   9.191  -6.605  1.00 97.97           C  
+ATOM   4145  CE2 TRP B 723     -11.113   9.098  -5.753  1.00 97.97           C  
+ATOM   4146  CE3 TRP B 723     -12.031   9.280  -7.989  1.00 97.97           C  
+ATOM   4147  NE1 TRP B 723     -11.578   9.023  -4.467  1.00 97.97           N  
+ATOM   4148  CH2 TRP B 723      -9.632   9.179  -7.597  1.00 97.97           C  
+ATOM   4149  CZ2 TRP B 723      -9.804   9.091  -6.240  1.00 97.97           C  
+ATOM   4150  CZ3 TRP B 723     -10.728   9.273  -8.472  1.00 97.97           C  
+ATOM   4151  N   ASP B 724     -16.942  10.991  -7.908  1.00 97.05           N  
+ATOM   4152  CA  ASP B 724     -18.155  10.668  -8.652  1.00 97.05           C  
+ATOM   4153  C   ASP B 724     -18.037   9.304  -9.329  1.00 97.05           C  
+ATOM   4154  CB  ASP B 724     -18.449  11.749  -9.695  1.00 97.05           C  
+ATOM   4155  O   ASP B 724     -17.207   9.118 -10.222  1.00 97.05           O  
+ATOM   4156  CG  ASP B 724     -19.768  11.533 -10.417  1.00 97.05           C  
+ATOM   4157  OD1 ASP B 724     -19.819  10.717 -11.362  1.00 97.05           O  
+ATOM   4158  OD2 ASP B 724     -20.763  12.187 -10.038  1.00 97.05           O  
+ATOM   4159  N   ILE B 725     -18.900   8.424  -8.899  1.00 96.83           N  
+ATOM   4160  CA  ILE B 725     -18.745   7.031  -9.304  1.00 96.83           C  
+ATOM   4161  C   ILE B 725     -19.070   6.886 -10.789  1.00 96.83           C  
+ATOM   4162  CB  ILE B 725     -19.643   6.095  -8.464  1.00 96.83           C  
+ATOM   4163  O   ILE B 725     -18.368   6.181 -11.518  1.00 96.83           O  
+ATOM   4164  CG1 ILE B 725     -19.190   6.093  -7.000  1.00 96.83           C  
+ATOM   4165  CG2 ILE B 725     -19.635   4.677  -9.043  1.00 96.83           C  
+ATOM   4166  CD1 ILE B 725     -20.124   5.338  -6.064  1.00 96.83           C  
+ATOM   4167  N   GLU B 726     -20.034   7.575 -11.264  1.00 94.77           N  
+ATOM   4168  CA  GLU B 726     -20.459   7.485 -12.658  1.00 94.77           C  
+ATOM   4169  C   GLU B 726     -19.361   7.967 -13.602  1.00 94.77           C  
+ATOM   4170  CB  GLU B 726     -21.739   8.295 -12.883  1.00 94.77           C  
+ATOM   4171  O   GLU B 726     -19.035   7.291 -14.580  1.00 94.77           O  
+ATOM   4172  CG  GLU B 726     -22.311   8.163 -14.287  1.00 94.77           C  
+ATOM   4173  CD  GLU B 726     -23.641   8.879 -14.462  1.00 94.77           C  
+ATOM   4174  OE1 GLU B 726     -24.221   8.818 -15.570  1.00 94.77           O  
+ATOM   4175  OE2 GLU B 726     -24.106   9.506 -13.484  1.00 94.77           O  
+ATOM   4176  N   THR B 727     -18.768   9.117 -13.320  1.00 94.96           N  
+ATOM   4177  CA  THR B 727     -17.773   9.713 -14.204  1.00 94.96           C  
+ATOM   4178  C   THR B 727     -16.383   9.156 -13.909  1.00 94.96           C  
+ATOM   4179  CB  THR B 727     -17.753  11.247 -14.070  1.00 94.96           C  
+ATOM   4180  O   THR B 727     -15.474   9.270 -14.734  1.00 94.96           O  
+ATOM   4181  CG2 THR B 727     -19.143  11.836 -14.285  1.00 94.96           C  
+ATOM   4182  OG1 THR B 727     -17.294  11.601 -12.760  1.00 94.96           O  
+ATOM   4183  N   GLY B 728     -16.165   8.553 -12.746  1.00 93.63           N  
+ATOM   4184  CA  GLY B 728     -14.874   8.019 -12.341  1.00 93.63           C  
+ATOM   4185  C   GLY B 728     -13.864   9.098 -11.998  1.00 93.63           C  
+ATOM   4186  O   GLY B 728     -12.669   8.822 -11.882  1.00 93.63           O  
+ATOM   4187  N   GLN B 729     -14.393  10.358 -11.839  1.00 94.59           N  
+ATOM   4188  CA  GLN B 729     -13.525  11.507 -11.601  1.00 94.59           C  
+ATOM   4189  C   GLN B 729     -13.521  11.896 -10.125  1.00 94.59           C  
+ATOM   4190  CB  GLN B 729     -13.962  12.697 -12.456  1.00 94.59           C  
+ATOM   4191  O   GLN B 729     -14.539  11.771  -9.442  1.00 94.59           O  
+ATOM   4192  CG  GLN B 729     -13.791  12.474 -13.953  1.00 94.59           C  
+ATOM   4193  CD  GLN B 729     -12.344  12.568 -14.399  1.00 94.59           C  
+ATOM   4194  NE2 GLN B 729     -12.036  11.968 -15.543  1.00 94.59           N  
+ATOM   4195  OE1 GLN B 729     -11.510  13.176 -13.721  1.00 94.59           O  
+ATOM   4196  N   GLN B 730     -12.320  12.392  -9.755  1.00 95.31           N  
+ATOM   4197  CA  GLN B 730     -12.210  13.013  -8.440  1.00 95.31           C  
+ATOM   4198  C   GLN B 730     -12.868  14.390  -8.425  1.00 95.31           C  
+ATOM   4199  CB  GLN B 730     -10.744  13.128  -8.021  1.00 95.31           C  
+ATOM   4200  O   GLN B 730     -12.490  15.273  -9.197  1.00 95.31           O  
+ATOM   4201  CG  GLN B 730     -10.063  11.786  -7.790  1.00 95.31           C  
+ATOM   4202  CD  GLN B 730      -8.589  11.924  -7.458  1.00 95.31           C  
+ATOM   4203  NE2 GLN B 730      -8.012  10.879  -6.875  1.00 95.31           N  
+ATOM   4204  OE1 GLN B 730      -7.974  12.961  -7.724  1.00 95.31           O  
+ATOM   4205  N   THR B 731     -13.925  14.559  -7.572  1.00 95.10           N  
+ATOM   4206  CA  THR B 731     -14.643  15.828  -7.538  1.00 95.10           C  
+ATOM   4207  C   THR B 731     -13.957  16.812  -6.595  1.00 95.10           C  
+ATOM   4208  CB  THR B 731     -16.107  15.630  -7.102  1.00 95.10           C  
+ATOM   4209  O   THR B 731     -13.872  18.006  -6.890  1.00 95.10           O  
+ATOM   4210  CG2 THR B 731     -16.890  14.843  -8.147  1.00 95.10           C  
+ATOM   4211  OG1 THR B 731     -16.137  14.917  -5.860  1.00 95.10           O  
+ATOM   4212  N   THR B 732     -13.450  16.279  -5.500  1.00 96.23           N  
+ATOM   4213  CA  THR B 732     -12.780  17.104  -4.501  1.00 96.23           C  
+ATOM   4214  C   THR B 732     -11.602  16.356  -3.883  1.00 96.23           C  
+ATOM   4215  CB  THR B 732     -13.755  17.540  -3.391  1.00 96.23           C  
+ATOM   4216  O   THR B 732     -11.713  15.172  -3.559  1.00 96.23           O  
+ATOM   4217  CG2 THR B 732     -13.093  18.525  -2.434  1.00 96.23           C  
+ATOM   4218  OG1 THR B 732     -14.899  18.164  -3.986  1.00 96.23           O  
+ATOM   4219  N   THR B 733     -10.474  17.073  -3.727  1.00 96.54           N  
+ATOM   4220  CA  THR B 733      -9.332  16.545  -2.989  1.00 96.54           C  
+ATOM   4221  C   THR B 733      -9.157  17.282  -1.664  1.00 96.54           C  
+ATOM   4222  CB  THR B 733      -8.036  16.652  -3.813  1.00 96.54           C  
+ATOM   4223  O   THR B 733      -9.062  18.511  -1.639  1.00 96.54           O  
+ATOM   4224  CG2 THR B 733      -6.853  16.053  -3.059  1.00 96.54           C  
+ATOM   4225  OG1 THR B 733      -8.205  15.949  -5.051  1.00 96.54           O  
+ATOM   4226  N   PHE B 734      -9.197  16.498  -0.602  1.00 97.17           N  
+ATOM   4227  CA  PHE B 734      -9.041  17.067   0.732  1.00 97.17           C  
+ATOM   4228  C   PHE B 734      -7.597  16.949   1.206  1.00 97.17           C  
+ATOM   4229  CB  PHE B 734      -9.978  16.373   1.726  1.00 97.17           C  
+ATOM   4230  O   PHE B 734      -7.126  15.851   1.512  1.00 97.17           O  
+ATOM   4231  CG  PHE B 734     -11.425  16.398   1.315  1.00 97.17           C  
+ATOM   4232  CD1 PHE B 734     -12.251  17.450   1.693  1.00 97.17           C  
+ATOM   4233  CD2 PHE B 734     -11.960  15.370   0.551  1.00 97.17           C  
+ATOM   4234  CE1 PHE B 734     -13.591  17.476   1.314  1.00 97.17           C  
+ATOM   4235  CE2 PHE B 734     -13.298  15.389   0.168  1.00 97.17           C  
+ATOM   4236  CZ  PHE B 734     -14.112  16.442   0.552  1.00 97.17           C  
+ATOM   4237  N   THR B 735      -6.912  18.233   1.296  1.00 95.34           N  
+ATOM   4238  CA  THR B 735      -5.502  18.294   1.663  1.00 95.34           C  
+ATOM   4239  C   THR B 735      -5.328  18.938   3.035  1.00 95.34           C  
+ATOM   4240  CB  THR B 735      -4.685  19.077   0.618  1.00 95.34           C  
+ATOM   4241  O   THR B 735      -5.999  19.921   3.355  1.00 95.34           O  
+ATOM   4242  CG2 THR B 735      -4.754  18.406  -0.749  1.00 95.34           C  
+ATOM   4243  OG1 THR B 735      -5.208  20.407   0.512  1.00 95.34           O  
+ATOM   4244  N   GLY B 736      -4.592  18.291   3.912  1.00 92.58           N  
+ATOM   4245  CA  GLY B 736      -4.374  18.855   5.234  1.00 92.58           C  
+ATOM   4246  C   GLY B 736      -3.537  17.965   6.132  1.00 92.58           C  
+ATOM   4247  O   GLY B 736      -2.772  18.456   6.964  1.00 92.58           O  
+ATOM   4248  N   HIS B 737      -3.501  16.748   5.964  1.00 96.41           N  
+ATOM   4249  CA  HIS B 737      -2.698  15.820   6.752  1.00 96.41           C  
+ATOM   4250  C   HIS B 737      -1.251  15.798   6.272  1.00 96.41           C  
+ATOM   4251  CB  HIS B 737      -3.293  14.412   6.692  1.00 96.41           C  
+ATOM   4252  O   HIS B 737      -0.984  15.994   5.084  1.00 96.41           O  
+ATOM   4253  CG  HIS B 737      -4.463  14.216   7.602  1.00 96.41           C  
+ATOM   4254  CD2 HIS B 737      -5.773  14.003   7.332  1.00 96.41           C  
+ATOM   4255  ND1 HIS B 737      -4.349  14.230   8.975  1.00 96.41           N  
+ATOM   4256  CE1 HIS B 737      -5.541  14.033   9.512  1.00 96.41           C  
+ATOM   4257  NE2 HIS B 737      -6.423  13.893   8.537  1.00 96.41           N  
+ATOM   4258  N   THR B 738      -0.289  15.556   7.144  1.00 94.42           N  
+ATOM   4259  CA  THR B 738       1.132  15.472   6.822  1.00 94.42           C  
+ATOM   4260  C   THR B 738       1.620  14.029   6.900  1.00 94.42           C  
+ATOM   4261  CB  THR B 738       1.971  16.353   7.767  1.00 94.42           C  
+ATOM   4262  O   THR B 738       2.818  13.765   6.774  1.00 94.42           O  
+ATOM   4263  CG2 THR B 738       1.630  17.829   7.591  1.00 94.42           C  
+ATOM   4264  OG1 THR B 738       1.710  15.972   9.123  1.00 94.42           O  
+ATOM   4265  N   GLY B 739       0.743  13.113   7.174  1.00 93.98           N  
+ATOM   4266  CA  GLY B 739       0.981  11.679   7.199  1.00 93.98           C  
+ATOM   4267  C   GLY B 739      -0.087  10.884   6.472  1.00 93.98           C  
+ATOM   4268  O   GLY B 739      -1.085  11.447   6.017  1.00 93.98           O  
+ATOM   4269  N   ASP B 740       0.121   9.548   6.339  1.00 96.89           N  
+ATOM   4270  CA  ASP B 740      -0.853   8.667   5.703  1.00 96.89           C  
+ATOM   4271  C   ASP B 740      -2.211   8.758   6.396  1.00 96.89           C  
+ATOM   4272  CB  ASP B 740      -0.354   7.221   5.710  1.00 96.89           C  
+ATOM   4273  O   ASP B 740      -2.296   8.653   7.621  1.00 96.89           O  
+ATOM   4274  CG  ASP B 740       0.896   7.020   4.871  1.00 96.89           C  
+ATOM   4275  OD1 ASP B 740       1.383   7.996   4.261  1.00 96.89           O  
+ATOM   4276  OD2 ASP B 740       1.396   5.876   4.818  1.00 96.89           O  
+ATOM   4277  N   VAL B 741      -3.214   9.003   5.589  1.00 98.16           N  
+ATOM   4278  CA  VAL B 741      -4.559   8.978   6.154  1.00 98.16           C  
+ATOM   4279  C   VAL B 741      -5.035   7.534   6.293  1.00 98.16           C  
+ATOM   4280  CB  VAL B 741      -5.553   9.786   5.289  1.00 98.16           C  
+ATOM   4281  O   VAL B 741      -5.162   6.817   5.298  1.00 98.16           O  
+ATOM   4282  CG1 VAL B 741      -6.927   9.842   5.954  1.00 98.16           C  
+ATOM   4283  CG2 VAL B 741      -5.019  11.195   5.039  1.00 98.16           C  
+ATOM   4284  N   MET B 742      -5.277   7.111   7.517  1.00 97.10           N  
+ATOM   4285  CA  MET B 742      -5.431   5.689   7.814  1.00 97.10           C  
+ATOM   4286  C   MET B 742      -6.905   5.305   7.885  1.00 97.10           C  
+ATOM   4287  CB  MET B 742      -4.735   5.336   9.129  1.00 97.10           C  
+ATOM   4288  O   MET B 742      -7.259   4.142   7.681  1.00 97.10           O  
+ATOM   4289  CG  MET B 742      -3.226   5.519   9.092  1.00 97.10           C  
+ATOM   4290  SD  MET B 742      -2.419   4.448   7.840  1.00 97.10           S  
+ATOM   4291  CE  MET B 742      -2.785   2.812   8.533  1.00 97.10           C  
+ATOM   4292  N   SER B 743      -7.826   6.232   8.265  1.00 97.24           N  
+ATOM   4293  CA  SER B 743      -9.234   5.911   8.472  1.00 97.24           C  
+ATOM   4294  C   SER B 743     -10.114   7.145   8.301  1.00 97.24           C  
+ATOM   4295  CB  SER B 743      -9.449   5.309   9.861  1.00 97.24           C  
+ATOM   4296  O   SER B 743      -9.664   8.270   8.527  1.00 97.24           O  
+ATOM   4297  OG  SER B 743     -10.800   4.920  10.037  1.00 97.24           O  
+ATOM   4298  N   LEU B 744     -11.296   6.977   7.886  1.00 97.61           N  
+ATOM   4299  CA  LEU B 744     -12.280   8.053   7.821  1.00 97.61           C  
+ATOM   4300  C   LEU B 744     -13.655   7.558   8.256  1.00 97.61           C  
+ATOM   4301  CB  LEU B 744     -12.355   8.625   6.403  1.00 97.61           C  
+ATOM   4302  O   LEU B 744     -13.950   6.365   8.160  1.00 97.61           O  
+ATOM   4303  CG  LEU B 744     -12.795   7.657   5.303  1.00 97.61           C  
+ATOM   4304  CD1 LEU B 744     -14.313   7.509   5.303  1.00 97.61           C  
+ATOM   4305  CD2 LEU B 744     -12.298   8.132   3.942  1.00 97.61           C  
+ATOM   4306  N   SER B 745     -14.515   8.399   8.819  1.00 98.00           N  
+ATOM   4307  CA  SER B 745     -15.883   8.102   9.232  1.00 98.00           C  
+ATOM   4308  C   SER B 745     -16.836   9.224   8.834  1.00 98.00           C  
+ATOM   4309  CB  SER B 745     -15.950   7.876  10.742  1.00 98.00           C  
+ATOM   4310  O   SER B 745     -16.529  10.403   9.025  1.00 98.00           O  
+ATOM   4311  OG  SER B 745     -17.276   7.590  11.150  1.00 98.00           O  
+ATOM   4312  N   LEU B 746     -17.939   8.807   8.218  1.00 97.39           N  
+ATOM   4313  CA  LEU B 746     -18.946   9.782   7.816  1.00 97.39           C  
+ATOM   4314  C   LEU B 746     -19.851  10.145   8.988  1.00 97.39           C  
+ATOM   4315  CB  LEU B 746     -19.786   9.238   6.657  1.00 97.39           C  
+ATOM   4316  O   LEU B 746     -20.213   9.280   9.790  1.00 97.39           O  
+ATOM   4317  CG  LEU B 746     -19.048   8.998   5.339  1.00 97.39           C  
+ATOM   4318  CD1 LEU B 746     -19.961   8.294   4.341  1.00 97.39           C  
+ATOM   4319  CD2 LEU B 746     -18.535  10.315   4.766  1.00 97.39           C  
+ATOM   4320  N   ALA B 747     -20.208  11.409   9.093  1.00 96.26           N  
+ATOM   4321  CA  ALA B 747     -21.261  11.819  10.018  1.00 96.26           C  
+ATOM   4322  C   ALA B 747     -22.615  11.259   9.591  1.00 96.26           C  
+ATOM   4323  CB  ALA B 747     -21.324  13.341  10.112  1.00 96.26           C  
+ATOM   4324  O   ALA B 747     -22.847  11.016   8.405  1.00 96.26           O  
+ATOM   4325  N   PRO B 748     -23.519  11.038  10.526  1.00 93.66           N  
+ATOM   4326  CA  PRO B 748     -24.827  10.468  10.192  1.00 93.66           C  
+ATOM   4327  C   PRO B 748     -25.553  11.254   9.103  1.00 93.66           C  
+ATOM   4328  CB  PRO B 748     -25.590  10.538  11.517  1.00 93.66           C  
+ATOM   4329  O   PRO B 748     -26.232  10.664   8.259  1.00 93.66           O  
+ATOM   4330  CG  PRO B 748     -24.537  10.424  12.572  1.00 93.66           C  
+ATOM   4331  CD  PRO B 748     -23.309  11.149  12.100  1.00 93.66           C  
+ATOM   4332  N   ASP B 749     -25.363  12.538   9.048  1.00 91.55           N  
+ATOM   4333  CA  ASP B 749     -26.038  13.369   8.055  1.00 91.55           C  
+ATOM   4334  C   ASP B 749     -25.251  13.408   6.746  1.00 91.55           C  
+ATOM   4335  CB  ASP B 749     -26.240  14.788   8.590  1.00 91.55           C  
+ATOM   4336  O   ASP B 749     -25.676  14.043   5.779  1.00 91.55           O  
+ATOM   4337  CG  ASP B 749     -24.934  15.487   8.924  1.00 91.55           C  
+ATOM   4338  OD1 ASP B 749     -23.853  14.904   8.691  1.00 91.55           O  
+ATOM   4339  OD2 ASP B 749     -24.986  16.630   9.429  1.00 91.55           O  
+ATOM   4340  N   THR B 750     -24.013  12.804   6.665  1.00 93.05           N  
+ATOM   4341  CA  THR B 750     -23.162  12.567   5.505  1.00 93.05           C  
+ATOM   4342  C   THR B 750     -22.658  13.886   4.925  1.00 93.05           C  
+ATOM   4343  CB  THR B 750     -23.909  11.777   4.415  1.00 93.05           C  
+ATOM   4344  O   THR B 750     -22.202  13.933   3.781  1.00 93.05           O  
+ATOM   4345  CG2 THR B 750     -24.341  10.407   4.928  1.00 93.05           C  
+ATOM   4346  OG1 THR B 750     -25.072  12.512   4.013  1.00 93.05           O  
+ATOM   4347  N   ARG B 751     -22.825  14.992   5.694  1.00 92.33           N  
+ATOM   4348  CA  ARG B 751     -22.330  16.297   5.268  1.00 92.33           C  
+ATOM   4349  C   ARG B 751     -20.882  16.500   5.700  1.00 92.33           C  
+ATOM   4350  CB  ARG B 751     -23.207  17.416   5.833  1.00 92.33           C  
+ATOM   4351  O   ARG B 751     -20.140  17.255   5.067  1.00 92.33           O  
+ATOM   4352  CG  ARG B 751     -24.606  17.462   5.239  1.00 92.33           C  
+ATOM   4353  CD  ARG B 751     -25.402  18.650   5.762  1.00 92.33           C  
+ATOM   4354  NE  ARG B 751     -26.763  18.661   5.234  1.00 92.33           N  
+ATOM   4355  NH1 ARG B 751     -27.331  20.695   6.170  1.00 92.33           N  
+ATOM   4356  NH2 ARG B 751     -28.860  19.540   4.912  1.00 92.33           N  
+ATOM   4357  CZ  ARG B 751     -27.648  19.632   5.440  1.00 92.33           C  
+ATOM   4358  N   LEU B 752     -20.573  15.877   6.797  1.00 95.63           N  
+ATOM   4359  CA  LEU B 752     -19.236  15.956   7.375  1.00 95.63           C  
+ATOM   4360  C   LEU B 752     -18.577  14.581   7.411  1.00 95.63           C  
+ATOM   4361  CB  LEU B 752     -19.296  16.543   8.787  1.00 95.63           C  
+ATOM   4362  O   LEU B 752     -19.266  13.559   7.461  1.00 95.63           O  
+ATOM   4363  CG  LEU B 752     -19.935  17.926   8.920  1.00 95.63           C  
+ATOM   4364  CD1 LEU B 752     -20.142  18.275  10.390  1.00 95.63           C  
+ATOM   4365  CD2 LEU B 752     -19.077  18.981   8.230  1.00 95.63           C  
+ATOM   4366  N   PHE B 753     -17.307  14.582   7.416  1.00 97.76           N  
+ATOM   4367  CA  PHE B 753     -16.568  13.372   7.757  1.00 97.76           C  
+ATOM   4368  C   PHE B 753     -15.283  13.714   8.502  1.00 97.76           C  
+ATOM   4369  CB  PHE B 753     -16.244  12.565   6.496  1.00 97.76           C  
+ATOM   4370  O   PHE B 753     -14.792  14.842   8.417  1.00 97.76           O  
+ATOM   4371  CG  PHE B 753     -15.184  13.190   5.630  1.00 97.76           C  
+ATOM   4372  CD1 PHE B 753     -15.521  14.125   4.659  1.00 97.76           C  
+ATOM   4373  CD2 PHE B 753     -13.848  12.843   5.789  1.00 97.76           C  
+ATOM   4374  CE1 PHE B 753     -14.541  14.705   3.857  1.00 97.76           C  
+ATOM   4375  CE2 PHE B 753     -12.864  13.419   4.991  1.00 97.76           C  
+ATOM   4376  CZ  PHE B 753     -13.213  14.349   4.025  1.00 97.76           C  
+ATOM   4377  N   VAL B 754     -14.838  12.730   9.246  1.00 98.31           N  
+ATOM   4378  CA  VAL B 754     -13.598  12.901   9.996  1.00 98.31           C  
+ATOM   4379  C   VAL B 754     -12.553  11.903   9.502  1.00 98.31           C  
+ATOM   4380  CB  VAL B 754     -13.825  12.729  11.514  1.00 98.31           C  
+ATOM   4381  O   VAL B 754     -12.887  10.770   9.148  1.00 98.31           O  
+ATOM   4382  CG1 VAL B 754     -12.510  12.882  12.277  1.00 98.31           C  
+ATOM   4383  CG2 VAL B 754     -14.859  13.734  12.017  1.00 98.31           C  
+ATOM   4384  N   SER B 755     -11.290  12.370   9.429  1.00 98.40           N  
+ATOM   4385  CA  SER B 755     -10.183  11.508   9.030  1.00 98.40           C  
+ATOM   4386  C   SER B 755      -9.114  11.442  10.116  1.00 98.40           C  
+ATOM   4387  CB  SER B 755      -9.563  12.002   7.722  1.00 98.40           C  
+ATOM   4388  O   SER B 755      -8.894  12.417  10.837  1.00 98.40           O  
+ATOM   4389  OG  SER B 755      -9.001  13.292   7.888  1.00 98.40           O  
+ATOM   4390  N   GLY B 756      -8.569  10.256  10.332  1.00 98.17           N  
+ATOM   4391  CA  GLY B 756      -7.421  10.030  11.195  1.00 98.17           C  
+ATOM   4392  C   GLY B 756      -6.165   9.656  10.431  1.00 98.17           C  
+ATOM   4393  O   GLY B 756      -6.221   8.881   9.474  1.00 98.17           O  
+ATOM   4394  N   ALA B 757      -4.968  10.129  10.937  1.00 98.14           N  
+ATOM   4395  CA  ALA B 757      -3.789   9.962  10.092  1.00 98.14           C  
+ATOM   4396  C   ALA B 757      -2.555   9.636  10.929  1.00 98.14           C  
+ATOM   4397  CB  ALA B 757      -3.547  11.219   9.261  1.00 98.14           C  
+ATOM   4398  O   ALA B 757      -2.622   9.611  12.160  1.00 98.14           O  
+ATOM   4399  N   CYS B 758      -1.431   9.364  10.257  1.00 97.01           N  
+ATOM   4400  CA  CYS B 758      -0.147   9.031  10.863  1.00 97.01           C  
+ATOM   4401  C   CYS B 758       0.556  10.283  11.374  1.00 97.01           C  
+ATOM   4402  CB  CYS B 758       0.749   8.306   9.859  1.00 97.01           C  
+ATOM   4403  O   CYS B 758       1.640  10.199  11.954  1.00 97.01           O  
+ATOM   4404  SG  CYS B 758       0.164   6.655   9.421  1.00 97.01           S  
+ATOM   4405  N   ASP B 759      -0.044  11.396  11.273  1.00 95.47           N  
+ATOM   4406  CA  ASP B 759       0.465  12.628  11.869  1.00 95.47           C  
+ATOM   4407  C   ASP B 759      -0.123  12.847  13.261  1.00 95.47           C  
+ATOM   4408  CB  ASP B 759       0.153  13.827  10.972  1.00 95.47           C  
+ATOM   4409  O   ASP B 759      -0.017  13.941  13.821  1.00 95.47           O  
+ATOM   4410  CG  ASP B 759      -1.336  14.045  10.768  1.00 95.47           C  
+ATOM   4411  OD1 ASP B 759      -2.147  13.409  11.475  1.00 95.47           O  
+ATOM   4412  OD2 ASP B 759      -1.701  14.857   9.891  1.00 95.47           O  
+ATOM   4413  N   ALA B 760      -0.777  11.881  13.763  1.00 96.29           N  
+ATOM   4414  CA  ALA B 760      -1.330  11.784  15.112  1.00 96.29           C  
+ATOM   4415  C   ALA B 760      -2.487  12.760  15.302  1.00 96.29           C  
+ATOM   4416  CB  ALA B 760      -0.243  12.043  16.152  1.00 96.29           C  
+ATOM   4417  O   ALA B 760      -2.770  13.187  16.424  1.00 96.29           O  
+ATOM   4418  N   SER B 761      -3.108  13.185  14.193  1.00 96.99           N  
+ATOM   4419  CA  SER B 761      -4.219  14.127  14.285  1.00 96.99           C  
+ATOM   4420  C   SER B 761      -5.458  13.592  13.575  1.00 96.99           C  
+ATOM   4421  CB  SER B 761      -3.826  15.481  13.692  1.00 96.99           C  
+ATOM   4422  O   SER B 761      -5.351  12.768  12.665  1.00 96.99           O  
+ATOM   4423  OG  SER B 761      -3.653  15.383  12.289  1.00 96.99           O  
+ATOM   4424  N   ALA B 762      -6.642  14.039  14.085  1.00 98.15           N  
+ATOM   4425  CA  ALA B 762      -7.925  13.847  13.414  1.00 98.15           C  
+ATOM   4426  C   ALA B 762      -8.444  15.160  12.836  1.00 98.15           C  
+ATOM   4427  CB  ALA B 762      -8.948  13.253  14.381  1.00 98.15           C  
+ATOM   4428  O   ALA B 762      -8.390  16.201  13.496  1.00 98.15           O  
+ATOM   4429  N   LYS B 763      -8.938  15.082  11.616  1.00 97.95           N  
+ATOM   4430  CA  LYS B 763      -9.400  16.306  10.968  1.00 97.95           C  
+ATOM   4431  C   LYS B 763     -10.855  16.180  10.527  1.00 97.95           C  
+ATOM   4432  CB  LYS B 763      -8.516  16.644   9.766  1.00 97.95           C  
+ATOM   4433  O   LYS B 763     -11.258  15.148   9.985  1.00 97.95           O  
+ATOM   4434  CG  LYS B 763      -7.118  17.115  10.139  1.00 97.95           C  
+ATOM   4435  CD  LYS B 763      -6.292  17.450   8.904  1.00 97.95           C  
+ATOM   4436  CE  LYS B 763      -4.883  17.893   9.274  1.00 97.95           C  
+ATOM   4437  NZ  LYS B 763      -4.882  19.219   9.961  1.00 97.95           N  
+ATOM   4438  N   LEU B 764     -11.638  17.234  10.767  1.00 97.75           N  
+ATOM   4439  CA  LEU B 764     -13.041  17.333  10.380  1.00 97.75           C  
+ATOM   4440  C   LEU B 764     -13.188  18.064   9.050  1.00 97.75           C  
+ATOM   4441  CB  LEU B 764     -13.847  18.054  11.464  1.00 97.75           C  
+ATOM   4442  O   LEU B 764     -12.674  19.173   8.886  1.00 97.75           O  
+ATOM   4443  CG  LEU B 764     -15.350  18.187  11.215  1.00 97.75           C  
+ATOM   4444  CD1 LEU B 764     -16.032  16.829  11.348  1.00 97.75           C  
+ATOM   4445  CD2 LEU B 764     -15.964  19.196  12.180  1.00 97.75           C  
+ATOM   4446  N   TRP B 765     -13.978  17.419   8.120  1.00 97.26           N  
+ATOM   4447  CA  TRP B 765     -14.103  17.950   6.767  1.00 97.26           C  
+ATOM   4448  C   TRP B 765     -15.567  18.168   6.401  1.00 97.26           C  
+ATOM   4449  CB  TRP B 765     -13.446  17.007   5.756  1.00 97.26           C  
+ATOM   4450  O   TRP B 765     -16.435  17.387   6.797  1.00 97.26           O  
+ATOM   4451  CG  TRP B 765     -12.053  16.592   6.126  1.00 97.26           C  
+ATOM   4452  CD1 TRP B 765     -11.688  15.514   6.883  1.00 97.26           C  
+ATOM   4453  CD2 TRP B 765     -10.839  17.253   5.757  1.00 97.26           C  
+ATOM   4454  CE2 TRP B 765      -9.774  16.520   6.326  1.00 97.26           C  
+ATOM   4455  CE3 TRP B 765     -10.547  18.395   4.999  1.00 97.26           C  
+ATOM   4456  NE1 TRP B 765     -10.319  15.465   7.008  1.00 97.26           N  
+ATOM   4457  CH2 TRP B 765      -8.181  18.013   5.415  1.00 97.26           C  
+ATOM   4458  CZ2 TRP B 765      -8.438  16.892   6.161  1.00 97.26           C  
+ATOM   4459  CZ3 TRP B 765      -9.217  18.764   4.836  1.00 97.26           C  
+ATOM   4460  N   ASP B 766     -15.743  19.222   5.705  1.00 94.37           N  
+ATOM   4461  CA  ASP B 766     -17.020  19.418   5.026  1.00 94.37           C  
+ATOM   4462  C   ASP B 766     -16.949  18.946   3.575  1.00 94.37           C  
+ATOM   4463  CB  ASP B 766     -17.437  20.889   5.080  1.00 94.37           C  
+ATOM   4464  O   ASP B 766     -16.134  19.443   2.795  1.00 94.37           O  
+ATOM   4465  CG  ASP B 766     -18.865  21.119   4.617  1.00 94.37           C  
+ATOM   4466  OD1 ASP B 766     -19.230  20.660   3.513  1.00 94.37           O  
+ATOM   4467  OD2 ASP B 766     -19.632  21.767   5.362  1.00 94.37           O  
+ATOM   4468  N   VAL B 767     -17.888  18.086   3.198  1.00 92.63           N  
+ATOM   4469  CA  VAL B 767     -17.826  17.431   1.896  1.00 92.63           C  
+ATOM   4470  C   VAL B 767     -18.059  18.457   0.789  1.00 92.63           C  
+ATOM   4471  CB  VAL B 767     -18.857  16.285   1.788  1.00 92.63           C  
+ATOM   4472  O   VAL B 767     -17.523  18.323  -0.313  1.00 92.63           O  
+ATOM   4473  CG1 VAL B 767     -18.861  15.694   0.379  1.00 92.63           C  
+ATOM   4474  CG2 VAL B 767     -18.562  15.203   2.824  1.00 92.63           C  
+ATOM   4475  N   ARG B 768     -18.664  19.606   1.020  1.00 90.50           N  
+ATOM   4476  CA  ARG B 768     -19.034  20.610   0.027  1.00 90.50           C  
+ATOM   4477  C   ARG B 768     -17.926  21.643  -0.147  1.00 90.50           C  
+ATOM   4478  CB  ARG B 768     -20.339  21.303   0.423  1.00 90.50           C  
+ATOM   4479  O   ARG B 768     -17.656  22.090  -1.263  1.00 90.50           O  
+ATOM   4480  CG  ARG B 768     -21.540  20.371   0.475  1.00 90.50           C  
+ATOM   4481  CD  ARG B 768     -22.776  21.075   1.018  1.00 90.50           C  
+ATOM   4482  NE  ARG B 768     -22.613  21.444   2.422  1.00 90.50           N  
+ATOM   4483  NH1 ARG B 768     -24.723  22.360   2.640  1.00 90.50           N  
+ATOM   4484  NH2 ARG B 768     -23.289  22.336   4.428  1.00 90.50           N  
+ATOM   4485  CZ  ARG B 768     -23.542  22.046   3.160  1.00 90.50           C  
+ATOM   4486  N   GLU B 769     -17.258  21.981   0.995  1.00 88.37           N  
+ATOM   4487  CA  GLU B 769     -16.330  23.107   1.014  1.00 88.37           C  
+ATOM   4488  C   GLU B 769     -14.913  22.661   0.669  1.00 88.37           C  
+ATOM   4489  CB  GLU B 769     -16.347  23.795   2.382  1.00 88.37           C  
+ATOM   4490  O   GLU B 769     -14.113  23.451   0.163  1.00 88.37           O  
+ATOM   4491  CG  GLU B 769     -17.674  24.457   2.722  1.00 88.37           C  
+ATOM   4492  CD  GLU B 769     -17.661  25.176   4.061  1.00 88.37           C  
+ATOM   4493  OE1 GLU B 769     -18.703  25.748   4.454  1.00 88.37           O  
+ATOM   4494  OE2 GLU B 769     -16.600  25.167   4.724  1.00 88.37           O  
+ATOM   4495  N   GLY B 770     -14.584  21.412   0.856  1.00 85.39           N  
+ATOM   4496  CA  GLY B 770     -13.288  20.837   0.530  1.00 85.39           C  
+ATOM   4497  C   GLY B 770     -12.176  21.315   1.446  1.00 85.39           C  
+ATOM   4498  O   GLY B 770     -11.000  21.261   1.082  1.00 85.39           O  
+ATOM   4499  N   MET B 771     -12.612  22.001   2.607  1.00 84.71           N  
+ATOM   4500  CA  MET B 771     -11.617  22.495   3.555  1.00 84.71           C  
+ATOM   4501  C   MET B 771     -11.763  21.804   4.907  1.00 84.71           C  
+ATOM   4502  CB  MET B 771     -11.741  24.010   3.725  1.00 84.71           C  
+ATOM   4503  O   MET B 771     -12.856  21.363   5.268  1.00 84.71           O  
+ATOM   4504  CG  MET B 771     -11.517  24.792   2.441  1.00 84.71           C  
+ATOM   4505  SD  MET B 771     -11.510  26.606   2.715  1.00 84.71           S  
+ATOM   4506  CE  MET B 771     -10.982  27.175   1.075  1.00 84.71           C  
+ATOM   4507  N   CYS B 772     -10.580  21.777   5.539  1.00 92.78           N  
+ATOM   4508  CA  CYS B 772     -10.573  21.264   6.905  1.00 92.78           C  
+ATOM   4509  C   CYS B 772     -11.215  22.258   7.865  1.00 92.78           C  
+ATOM   4510  CB  CYS B 772      -9.145  20.956   7.354  1.00 92.78           C  
+ATOM   4511  O   CYS B 772     -10.781  23.408   7.955  1.00 92.78           O  
+ATOM   4512  SG  CYS B 772      -9.031  20.342   9.049  1.00 92.78           S  
+ATOM   4513  N   ARG B 773     -12.283  21.817   8.696  1.00 94.14           N  
+ATOM   4514  CA  ARG B 773     -13.043  22.683   9.592  1.00 94.14           C  
+ATOM   4515  C   ARG B 773     -12.422  22.711  10.985  1.00 94.14           C  
+ATOM   4516  CB  ARG B 773     -14.500  22.223   9.677  1.00 94.14           C  
+ATOM   4517  O   ARG B 773     -12.423  23.749  11.650  1.00 94.14           O  
+ATOM   4518  CG  ARG B 773     -15.279  22.404   8.385  1.00 94.14           C  
+ATOM   4519  CD  ARG B 773     -15.708  23.850   8.182  1.00 94.14           C  
+ATOM   4520  NE  ARG B 773     -16.647  23.984   7.072  1.00 94.14           N  
+ATOM   4521  NH1 ARG B 773     -17.315  26.125   7.623  1.00 94.14           N  
+ATOM   4522  NH2 ARG B 773     -18.211  25.076   5.792  1.00 94.14           N  
+ATOM   4523  CZ  ARG B 773     -17.389  25.061   6.831  1.00 94.14           C  
+ATOM   4524  N   GLN B 774     -11.934  21.580  11.417  1.00 94.66           N  
+ATOM   4525  CA  GLN B 774     -11.328  21.450  12.738  1.00 94.66           C  
+ATOM   4526  C   GLN B 774     -10.213  20.408  12.731  1.00 94.66           C  
+ATOM   4527  CB  GLN B 774     -12.385  21.081  13.781  1.00 94.66           C  
+ATOM   4528  O   GLN B 774     -10.270  19.435  11.976  1.00 94.66           O  
+ATOM   4529  CG  GLN B 774     -13.419  22.173  14.020  1.00 94.66           C  
+ATOM   4530  CD  GLN B 774     -14.438  21.794  15.078  1.00 94.66           C  
+ATOM   4531  NE2 GLN B 774     -15.371  22.699  15.354  1.00 94.66           N  
+ATOM   4532  OE1 GLN B 774     -14.389  20.696  15.641  1.00 94.66           O  
+ATOM   4533  N   THR B 775      -9.180  20.677  13.578  1.00 95.16           N  
+ATOM   4534  CA  THR B 775      -8.103  19.718  13.798  1.00 95.16           C  
+ATOM   4535  C   THR B 775      -8.028  19.318  15.269  1.00 95.16           C  
+ATOM   4536  CB  THR B 775      -6.745  20.289  13.349  1.00 95.16           C  
+ATOM   4537  O   THR B 775      -7.970  20.178  16.150  1.00 95.16           O  
+ATOM   4538  CG2 THR B 775      -5.622  19.285  13.584  1.00 95.16           C  
+ATOM   4539  OG1 THR B 775      -6.805  20.604  11.952  1.00 95.16           O  
+ATOM   4540  N   PHE B 776      -8.125  17.982  15.452  1.00 95.68           N  
+ATOM   4541  CA  PHE B 776      -8.074  17.451  16.809  1.00 95.68           C  
+ATOM   4542  C   PHE B 776      -6.755  16.728  17.057  1.00 95.68           C  
+ATOM   4543  CB  PHE B 776      -9.249  16.501  17.061  1.00 95.68           C  
+ATOM   4544  O   PHE B 776      -6.384  15.826  16.304  1.00 95.68           O  
+ATOM   4545  CG  PHE B 776     -10.598  17.154  16.922  1.00 95.68           C  
+ATOM   4546  CD1 PHE B 776     -11.202  17.771  18.011  1.00 95.68           C  
+ATOM   4547  CD2 PHE B 776     -11.262  17.151  15.703  1.00 95.68           C  
+ATOM   4548  CE1 PHE B 776     -12.450  18.376  17.886  1.00 95.68           C  
+ATOM   4549  CE2 PHE B 776     -12.509  17.754  15.570  1.00 95.68           C  
+ATOM   4550  CZ  PHE B 776     -13.102  18.365  16.663  1.00 95.68           C  
+ATOM   4551  N   THR B 777      -6.066  17.193  18.163  1.00 93.48           N  
+ATOM   4552  CA  THR B 777      -4.790  16.606  18.557  1.00 93.48           C  
+ATOM   4553  C   THR B 777      -4.889  15.976  19.943  1.00 93.48           C  
+ATOM   4554  CB  THR B 777      -3.665  17.657  18.547  1.00 93.48           C  
+ATOM   4555  O   THR B 777      -5.823  16.262  20.695  1.00 93.48           O  
+ATOM   4556  CG2 THR B 777      -3.502  18.276  17.163  1.00 93.48           C  
+ATOM   4557  OG1 THR B 777      -3.978  18.692  19.488  1.00 93.48           O  
+ATOM   4558  N   GLY B 778      -4.038  15.016  20.304  1.00 91.06           N  
+ATOM   4559  CA  GLY B 778      -4.043  14.375  21.609  1.00 91.06           C  
+ATOM   4560  C   GLY B 778      -3.283  13.063  21.633  1.00 91.06           C  
+ATOM   4561  O   GLY B 778      -2.626  12.738  22.624  1.00 91.06           O  
+ATOM   4562  N   HIS B 779      -3.269  12.395  20.599  1.00 96.45           N  
+ATOM   4563  CA  HIS B 779      -2.547  11.131  20.513  1.00 96.45           C  
+ATOM   4564  C   HIS B 779      -1.051  11.361  20.333  1.00 96.45           C  
+ATOM   4565  CB  HIS B 779      -3.090  10.281  19.362  1.00 96.45           C  
+ATOM   4566  O   HIS B 779      -0.637  12.388  19.790  1.00 96.45           O  
+ATOM   4567  CG  HIS B 779      -4.379   9.593  19.679  1.00 96.45           C  
+ATOM   4568  CD2 HIS B 779      -5.626   9.769  19.185  1.00 96.45           C  
+ATOM   4569  ND1 HIS B 779      -4.473   8.587  20.617  1.00 96.45           N  
+ATOM   4570  CE1 HIS B 779      -5.728   8.173  20.684  1.00 96.45           C  
+ATOM   4571  NE2 HIS B 779      -6.448   8.874  19.825  1.00 96.45           N  
+ATOM   4572  N   GLU B 780      -0.227  10.389  20.726  1.00 94.27           N  
+ATOM   4573  CA  GLU B 780       1.229  10.455  20.640  1.00 94.27           C  
+ATOM   4574  C   GLU B 780       1.751   9.628  19.468  1.00 94.27           C  
+ATOM   4575  CB  GLU B 780       1.867   9.975  21.947  1.00 94.27           C  
+ATOM   4576  O   GLU B 780       2.950   9.634  19.183  1.00 94.27           O  
+ATOM   4577  CG  GLU B 780       1.544  10.853  23.147  1.00 94.27           C  
+ATOM   4578  CD  GLU B 780       2.148  10.341  24.445  1.00 94.27           C  
+ATOM   4579  OE1 GLU B 780       2.038  11.035  25.481  1.00 94.27           O  
+ATOM   4580  OE2 GLU B 780       2.738   9.237  24.425  1.00 94.27           O  
+ATOM   4581  N   SER B 781       0.891   8.856  18.867  1.00 95.95           N  
+ATOM   4582  CA  SER B 781       1.244   7.987  17.749  1.00 95.95           C  
+ATOM   4583  C   SER B 781       0.157   7.995  16.679  1.00 95.95           C  
+ATOM   4584  CB  SER B 781       1.481   6.557  18.235  1.00 95.95           C  
+ATOM   4585  O   SER B 781      -0.761   8.817  16.725  1.00 95.95           O  
+ATOM   4586  OG  SER B 781       2.072   5.770  17.215  1.00 95.95           O  
+ATOM   4587  N   ASP B 782       0.233   7.146  15.607  1.00 97.22           N  
+ATOM   4588  CA  ASP B 782      -0.656   7.076  14.451  1.00 97.22           C  
+ATOM   4589  C   ASP B 782      -2.090   6.773  14.878  1.00 97.22           C  
+ATOM   4590  CB  ASP B 782      -0.167   6.016  13.461  1.00 97.22           C  
+ATOM   4591  O   ASP B 782      -2.320   5.923  15.741  1.00 97.22           O  
+ATOM   4592  CG  ASP B 782       1.216   6.312  12.910  1.00 97.22           C  
+ATOM   4593  OD1 ASP B 782       1.756   7.408  13.174  1.00 97.22           O  
+ATOM   4594  OD2 ASP B 782       1.771   5.443  12.203  1.00 97.22           O  
+ATOM   4595  N   ILE B 783      -3.033   7.520  14.304  1.00 98.27           N  
+ATOM   4596  CA  ILE B 783      -4.450   7.219  14.471  1.00 98.27           C  
+ATOM   4597  C   ILE B 783      -4.888   6.198  13.424  1.00 98.27           C  
+ATOM   4598  CB  ILE B 783      -5.315   8.496  14.368  1.00 98.27           C  
+ATOM   4599  O   ILE B 783      -4.889   6.490  12.225  1.00 98.27           O  
+ATOM   4600  CG1 ILE B 783      -4.942   9.484  15.480  1.00 98.27           C  
+ATOM   4601  CG2 ILE B 783      -6.804   8.145  14.425  1.00 98.27           C  
+ATOM   4602  CD1 ILE B 783      -5.673  10.817  15.394  1.00 98.27           C  
+ATOM   4603  N   ASN B 784      -5.283   4.991  13.897  1.00 97.48           N  
+ATOM   4604  CA  ASN B 784      -5.580   3.886  12.992  1.00 97.48           C  
+ATOM   4605  C   ASN B 784      -7.076   3.775  12.713  1.00 97.48           C  
+ATOM   4606  CB  ASN B 784      -5.047   2.569  13.560  1.00 97.48           C  
+ATOM   4607  O   ASN B 784      -7.483   3.183  11.712  1.00 97.48           O  
+ATOM   4608  CG  ASN B 784      -3.537   2.561  13.700  1.00 97.48           C  
+ATOM   4609  ND2 ASN B 784      -3.052   2.166  14.871  1.00 97.48           N  
+ATOM   4610  OD1 ASN B 784      -2.813   2.908  12.763  1.00 97.48           O  
+ATOM   4611  N   ALA B 785      -7.930   4.212  13.645  1.00 97.80           N  
+ATOM   4612  CA  ALA B 785      -9.370   4.002  13.521  1.00 97.80           C  
+ATOM   4613  C   ALA B 785     -10.146   5.215  14.027  1.00 97.80           C  
+ATOM   4614  CB  ALA B 785      -9.793   2.748  14.282  1.00 97.80           C  
+ATOM   4615  O   ALA B 785      -9.757   5.840  15.017  1.00 97.80           O  
+ATOM   4616  N   ILE B 786     -11.184   5.507  13.327  1.00 98.00           N  
+ATOM   4617  CA  ILE B 786     -12.043   6.632  13.683  1.00 98.00           C  
+ATOM   4618  C   ILE B 786     -13.508   6.237  13.513  1.00 98.00           C  
+ATOM   4619  CB  ILE B 786     -11.722   7.879  12.830  1.00 98.00           C  
+ATOM   4620  O   ILE B 786     -13.857   5.506  12.583  1.00 98.00           O  
+ATOM   4621  CG1 ILE B 786     -12.437   9.112  13.397  1.00 98.00           C  
+ATOM   4622  CG2 ILE B 786     -12.108   7.647  11.366  1.00 98.00           C  
+ATOM   4623  CD1 ILE B 786     -11.889  10.436  12.883  1.00 98.00           C  
+ATOM   4624  N   CYS B 787     -14.375   6.730  14.429  1.00 97.93           N  
+ATOM   4625  CA  CYS B 787     -15.801   6.446  14.312  1.00 97.93           C  
+ATOM   4626  C   CYS B 787     -16.633   7.588  14.884  1.00 97.93           C  
+ATOM   4627  CB  CYS B 787     -16.148   5.141  15.028  1.00 97.93           C  
+ATOM   4628  O   CYS B 787     -16.398   8.029  16.010  1.00 97.93           O  
+ATOM   4629  SG  CYS B 787     -17.899   4.706  14.941  1.00 97.93           S  
+ATOM   4630  N   PHE B 788     -17.560   8.051  14.101  1.00 97.85           N  
+ATOM   4631  CA  PHE B 788     -18.472   9.087  14.572  1.00 97.85           C  
+ATOM   4632  C   PHE B 788     -19.383   8.549  15.669  1.00 97.85           C  
+ATOM   4633  CB  PHE B 788     -19.312   9.633  13.412  1.00 97.85           C  
+ATOM   4634  O   PHE B 788     -19.813   7.395  15.615  1.00 97.85           O  
+ATOM   4635  CG  PHE B 788     -18.769  10.903  12.816  1.00 97.85           C  
+ATOM   4636  CD1 PHE B 788     -18.930  12.119  13.469  1.00 97.85           C  
+ATOM   4637  CD2 PHE B 788     -18.098  10.882  11.600  1.00 97.85           C  
+ATOM   4638  CE1 PHE B 788     -18.428  13.296  12.919  1.00 97.85           C  
+ATOM   4639  CE2 PHE B 788     -17.595  12.054  11.044  1.00 97.85           C  
+ATOM   4640  CZ  PHE B 788     -17.762  13.260  11.704  1.00 97.85           C  
+ATOM   4641  N   PHE B 789     -19.643   9.407  16.625  1.00 97.42           N  
+ATOM   4642  CA  PHE B 789     -20.656   9.130  17.636  1.00 97.42           C  
+ATOM   4643  C   PHE B 789     -22.049   9.122  17.018  1.00 97.42           C  
+ATOM   4644  CB  PHE B 789     -20.589  10.164  18.765  1.00 97.42           C  
+ATOM   4645  O   PHE B 789     -22.318   9.861  16.069  1.00 97.42           O  
+ATOM   4646  CG  PHE B 789     -21.275   9.726  20.031  1.00 97.42           C  
+ATOM   4647  CD1 PHE B 789     -22.528  10.224  20.366  1.00 97.42           C  
+ATOM   4648  CD2 PHE B 789     -20.666   8.817  20.886  1.00 97.42           C  
+ATOM   4649  CE1 PHE B 789     -23.166   9.821  21.537  1.00 97.42           C  
+ATOM   4650  CE2 PHE B 789     -21.297   8.409  22.058  1.00 97.42           C  
+ATOM   4651  CZ  PHE B 789     -22.546   8.914  22.382  1.00 97.42           C  
+ATOM   4652  N   PRO B 790     -22.992   8.269  17.516  1.00 95.57           N  
+ATOM   4653  CA  PRO B 790     -24.282   8.037  16.861  1.00 95.57           C  
+ATOM   4654  C   PRO B 790     -25.060   9.328  16.617  1.00 95.57           C  
+ATOM   4655  CB  PRO B 790     -25.021   7.132  17.850  1.00 95.57           C  
+ATOM   4656  O   PRO B 790     -25.727   9.466  15.588  1.00 95.57           O  
+ATOM   4657  CG  PRO B 790     -23.947   6.331  18.512  1.00 95.57           C  
+ATOM   4658  CD  PRO B 790     -22.754   7.218  18.725  1.00 95.57           C  
+ATOM   4659  N   ASN B 791     -24.924  10.318  17.461  1.00 94.31           N  
+ATOM   4660  CA  ASN B 791     -25.714  11.535  17.310  1.00 94.31           C  
+ATOM   4661  C   ASN B 791     -25.014  12.550  16.410  1.00 94.31           C  
+ATOM   4662  CB  ASN B 791     -26.011  12.155  18.677  1.00 94.31           C  
+ATOM   4663  O   ASN B 791     -25.563  13.615  16.124  1.00 94.31           O  
+ATOM   4664  CG  ASN B 791     -24.762  12.648  19.380  1.00 94.31           C  
+ATOM   4665  ND2 ASN B 791     -24.917  13.099  20.619  1.00 94.31           N  
+ATOM   4666  OD1 ASN B 791     -23.666  12.624  18.814  1.00 94.31           O  
+ATOM   4667  N   GLY B 792     -23.696  12.279  16.066  1.00 95.66           N  
+ATOM   4668  CA  GLY B 792     -23.001  13.072  15.063  1.00 95.66           C  
+ATOM   4669  C   GLY B 792     -22.274  14.269  15.648  1.00 95.66           C  
+ATOM   4670  O   GLY B 792     -21.696  15.070  14.911  1.00 95.66           O  
+ATOM   4671  N   ASN B 793     -22.294  14.431  16.946  1.00 95.88           N  
+ATOM   4672  CA  ASN B 793     -21.697  15.601  17.581  1.00 95.88           C  
+ATOM   4673  C   ASN B 793     -20.344  15.271  18.205  1.00 95.88           C  
+ATOM   4674  CB  ASN B 793     -22.641  16.180  18.636  1.00 95.88           C  
+ATOM   4675  O   ASN B 793     -19.678  16.150  18.754  1.00 95.88           O  
+ATOM   4676  CG  ASN B 793     -23.879  16.811  18.029  1.00 95.88           C  
+ATOM   4677  ND2 ASN B 793     -25.001  16.714  18.733  1.00 95.88           N  
+ATOM   4678  OD1 ASN B 793     -23.827  17.382  16.936  1.00 95.88           O  
+ATOM   4679  N   ALA B 794     -19.917  14.066  18.177  1.00 97.52           N  
+ATOM   4680  CA  ALA B 794     -18.648  13.603  18.732  1.00 97.52           C  
+ATOM   4681  C   ALA B 794     -18.081  12.447  17.914  1.00 97.52           C  
+ATOM   4682  CB  ALA B 794     -18.826  13.183  20.189  1.00 97.52           C  
+ATOM   4683  O   ALA B 794     -18.771  11.885  17.060  1.00 97.52           O  
+ATOM   4684  N   PHE B 795     -16.869  12.138  18.205  1.00 98.26           N  
+ATOM   4685  CA  PHE B 795     -16.258  10.986  17.551  1.00 98.26           C  
+ATOM   4686  C   PHE B 795     -15.145  10.403  18.413  1.00 98.26           C  
+ATOM   4687  CB  PHE B 795     -15.709  11.377  16.176  1.00 98.26           C  
+ATOM   4688  O   PHE B 795     -14.619  11.079  19.299  1.00 98.26           O  
+ATOM   4689  CG  PHE B 795     -14.596  12.389  16.232  1.00 98.26           C  
+ATOM   4690  CD1 PHE B 795     -14.876  13.750  16.247  1.00 98.26           C  
+ATOM   4691  CD2 PHE B 795     -13.270  11.978  16.268  1.00 98.26           C  
+ATOM   4692  CE1 PHE B 795     -13.848  14.688  16.299  1.00 98.26           C  
+ATOM   4693  CE2 PHE B 795     -12.237  12.911  16.320  1.00 98.26           C  
+ATOM   4694  CZ  PHE B 795     -12.529  14.265  16.334  1.00 98.26           C  
+ATOM   4695  N   ALA B 796     -14.827   9.125  18.140  1.00 98.43           N  
+ATOM   4696  CA  ALA B 796     -13.762   8.445  18.873  1.00 98.43           C  
+ATOM   4697  C   ALA B 796     -12.633   8.024  17.936  1.00 98.43           C  
+ATOM   4698  CB  ALA B 796     -14.316   7.230  19.613  1.00 98.43           C  
+ATOM   4699  O   ALA B 796     -12.873   7.701  16.771  1.00 98.43           O  
+ATOM   4700  N   THR B 797     -11.438   8.023  18.485  1.00 98.57           N  
+ATOM   4701  CA  THR B 797     -10.259   7.593  17.740  1.00 98.57           C  
+ATOM   4702  C   THR B 797      -9.530   6.475  18.480  1.00 98.57           C  
+ATOM   4703  CB  THR B 797      -9.293   8.767  17.498  1.00 98.57           C  
+ATOM   4704  O   THR B 797      -9.567   6.411  19.710  1.00 98.57           O  
+ATOM   4705  CG2 THR B 797      -9.982   9.901  16.746  1.00 98.57           C  
+ATOM   4706  OG1 THR B 797      -8.824   9.261  18.759  1.00 98.57           O  
+ATOM   4707  N   GLY B 798      -8.977   5.575  17.722  1.00 98.19           N  
+ATOM   4708  CA  GLY B 798      -8.049   4.563  18.201  1.00 98.19           C  
+ATOM   4709  C   GLY B 798      -6.651   4.720  17.634  1.00 98.19           C  
+ATOM   4710  O   GLY B 798      -6.478   4.847  16.420  1.00 98.19           O  
+ATOM   4711  N   SER B 799      -5.608   4.532  18.499  1.00 98.17           N  
+ATOM   4712  CA  SER B 799      -4.260   4.904  18.081  1.00 98.17           C  
+ATOM   4713  C   SER B 799      -3.245   3.835  18.472  1.00 98.17           C  
+ATOM   4714  CB  SER B 799      -3.860   6.246  18.695  1.00 98.17           C  
+ATOM   4715  O   SER B 799      -3.516   3.001  19.339  1.00 98.17           O  
+ATOM   4716  OG  SER B 799      -2.500   6.539  18.422  1.00 98.17           O  
+ATOM   4717  N   ASP B 800      -2.041   3.963  17.839  1.00 96.24           N  
+ATOM   4718  CA  ASP B 800      -0.912   3.093  18.153  1.00 96.24           C  
+ATOM   4719  C   ASP B 800      -0.359   3.392  19.545  1.00 96.24           C  
+ATOM   4720  CB  ASP B 800       0.192   3.247  17.105  1.00 96.24           C  
+ATOM   4721  O   ASP B 800       0.490   2.656  20.053  1.00 96.24           O  
+ATOM   4722  CG  ASP B 800      -0.111   2.509  15.812  1.00 96.24           C  
+ATOM   4723  OD1 ASP B 800      -0.991   1.621  15.809  1.00 96.24           O  
+ATOM   4724  OD2 ASP B 800       0.537   2.817  14.789  1.00 96.24           O  
+ATOM   4725  N   ASP B 801      -0.830   4.393  20.188  1.00 95.65           N  
+ATOM   4726  CA  ASP B 801      -0.395   4.712  21.545  1.00 95.65           C  
+ATOM   4727  C   ASP B 801      -1.221   3.952  22.580  1.00 95.65           C  
+ATOM   4728  CB  ASP B 801      -0.489   6.218  21.799  1.00 95.65           C  
+ATOM   4729  O   ASP B 801      -1.157   4.251  23.774  1.00 95.65           O  
+ATOM   4730  CG  ASP B 801      -1.917   6.732  21.793  1.00 95.65           C  
+ATOM   4731  OD1 ASP B 801      -2.860   5.913  21.738  1.00 95.65           O  
+ATOM   4732  OD2 ASP B 801      -2.102   7.967  21.842  1.00 95.65           O  
+ATOM   4733  N   ALA B 802      -2.011   3.078  22.136  1.00 95.57           N  
+ATOM   4734  CA  ALA B 802      -2.779   2.116  22.922  1.00 95.57           C  
+ATOM   4735  C   ALA B 802      -3.968   2.788  23.603  1.00 95.57           C  
+ATOM   4736  CB  ALA B 802      -1.885   1.443  23.961  1.00 95.57           C  
+ATOM   4737  O   ALA B 802      -4.502   2.271  24.587  1.00 95.57           O  
+ATOM   4738  N   THR B 803      -4.386   3.964  23.142  1.00 97.61           N  
+ATOM   4739  CA  THR B 803      -5.511   4.671  23.743  1.00 97.61           C  
+ATOM   4740  C   THR B 803      -6.591   4.954  22.702  1.00 97.61           C  
+ATOM   4741  CB  THR B 803      -5.060   5.993  24.390  1.00 97.61           C  
+ATOM   4742  O   THR B 803      -6.294   5.092  21.513  1.00 97.61           O  
+ATOM   4743  CG2 THR B 803      -3.945   5.757  25.403  1.00 97.61           C  
+ATOM   4744  OG1 THR B 803      -4.582   6.879  23.369  1.00 97.61           O  
+ATOM   4745  N   CYS B 804      -7.902   4.901  23.216  1.00 97.99           N  
+ATOM   4746  CA  CYS B 804      -9.004   5.546  22.510  1.00 97.99           C  
+ATOM   4747  C   CYS B 804      -9.260   6.944  23.061  1.00 97.99           C  
+ATOM   4748  CB  CYS B 804     -10.275   4.705  22.617  1.00 97.99           C  
+ATOM   4749  O   CYS B 804      -9.112   7.180  24.261  1.00 97.99           O  
+ATOM   4750  SG  CYS B 804     -10.132   3.070  21.864  1.00 97.99           S  
+ATOM   4751  N   ARG B 805      -9.643   7.808  22.187  1.00 98.10           N  
+ATOM   4752  CA  ARG B 805      -9.980   9.153  22.643  1.00 98.10           C  
+ATOM   4753  C   ARG B 805     -11.336   9.592  22.099  1.00 98.10           C  
+ATOM   4754  CB  ARG B 805      -8.899  10.150  22.222  1.00 98.10           C  
+ATOM   4755  O   ARG B 805     -11.667   9.315  20.944  1.00 98.10           O  
+ATOM   4756  CG  ARG B 805      -7.551   9.914  22.885  1.00 98.10           C  
+ATOM   4757  CD  ARG B 805      -6.555  11.013  22.543  1.00 98.10           C  
+ATOM   4758  NE  ARG B 805      -5.258  10.779  23.173  1.00 98.10           N  
+ATOM   4759  NH1 ARG B 805      -4.669  13.011  23.267  1.00 98.10           N  
+ATOM   4760  NH2 ARG B 805      -3.240  11.409  24.071  1.00 98.10           N  
+ATOM   4761  CZ  ARG B 805      -4.392  11.734  23.502  1.00 98.10           C  
+ATOM   4762  N   LEU B 806     -12.103  10.220  22.963  1.00 98.13           N  
+ATOM   4763  CA  LEU B 806     -13.402  10.774  22.595  1.00 98.13           C  
+ATOM   4764  C   LEU B 806     -13.321  12.288  22.433  1.00 98.13           C  
+ATOM   4765  CB  LEU B 806     -14.454  10.417  23.648  1.00 98.13           C  
+ATOM   4766  O   LEU B 806     -12.904  12.994  23.354  1.00 98.13           O  
+ATOM   4767  CG  LEU B 806     -15.874  10.924  23.386  1.00 98.13           C  
+ATOM   4768  CD1 LEU B 806     -16.436  10.294  22.117  1.00 98.13           C  
+ATOM   4769  CD2 LEU B 806     -16.775  10.629  24.580  1.00 98.13           C  
+ATOM   4770  N   PHE B 807     -13.744  12.774  21.273  1.00 97.25           N  
+ATOM   4771  CA  PHE B 807     -13.708  14.194  20.943  1.00 97.25           C  
+ATOM   4772  C   PHE B 807     -15.112  14.723  20.678  1.00 97.25           C  
+ATOM   4773  CB  PHE B 807     -12.815  14.442  19.724  1.00 97.25           C  
+ATOM   4774  O   PHE B 807     -15.928  14.047  20.047  1.00 97.25           O  
+ATOM   4775  CG  PHE B 807     -11.383  14.023  19.925  1.00 97.25           C  
+ATOM   4776  CD1 PHE B 807     -10.454  14.907  20.460  1.00 97.25           C  
+ATOM   4777  CD2 PHE B 807     -10.967  12.744  19.579  1.00 97.25           C  
+ATOM   4778  CE1 PHE B 807      -9.129  14.522  20.647  1.00 97.25           C  
+ATOM   4779  CE2 PHE B 807      -9.644  12.352  19.763  1.00 97.25           C  
+ATOM   4780  CZ  PHE B 807      -8.726  13.243  20.296  1.00 97.25           C  
+ATOM   4781  N   ASP B 808     -15.354  15.891  21.132  1.00 94.93           N  
+ATOM   4782  CA  ASP B 808     -16.627  16.560  20.886  1.00 94.93           C  
+ATOM   4783  C   ASP B 808     -16.459  17.717  19.904  1.00 94.93           C  
+ATOM   4784  CB  ASP B 808     -17.229  17.068  22.198  1.00 94.93           C  
+ATOM   4785  O   ASP B 808     -15.554  18.541  20.056  1.00 94.93           O  
+ATOM   4786  CG  ASP B 808     -18.656  17.564  22.043  1.00 94.93           C  
+ATOM   4787  OD1 ASP B 808     -18.856  18.746  21.687  1.00 94.93           O  
+ATOM   4788  OD2 ASP B 808     -19.589  16.767  22.282  1.00 94.93           O  
+ATOM   4789  N   LEU B 809     -17.381  17.773  18.921  1.00 95.05           N  
+ATOM   4790  CA  LEU B 809     -17.271  18.795  17.886  1.00 95.05           C  
+ATOM   4791  C   LEU B 809     -17.659  20.165  18.431  1.00 95.05           C  
+ATOM   4792  CB  LEU B 809     -18.155  18.441  16.687  1.00 95.05           C  
+ATOM   4793  O   LEU B 809     -17.060  21.178  18.062  1.00 95.05           O  
+ATOM   4794  CG  LEU B 809     -17.819  17.139  15.958  1.00 95.05           C  
+ATOM   4795  CD1 LEU B 809     -18.741  16.951  14.758  1.00 95.05           C  
+ATOM   4796  CD2 LEU B 809     -16.358  17.133  15.522  1.00 95.05           C  
+ATOM   4797  N   ARG B 810     -18.523  20.200  19.366  1.00 92.20           N  
+ATOM   4798  CA  ARG B 810     -19.053  21.453  19.894  1.00 92.20           C  
+ATOM   4799  C   ARG B 810     -18.090  22.074  20.900  1.00 92.20           C  
+ATOM   4800  CB  ARG B 810     -20.419  21.228  20.546  1.00 92.20           C  
+ATOM   4801  O   ARG B 810     -17.907  23.293  20.923  1.00 92.20           O  
+ATOM   4802  CG  ARG B 810     -21.470  20.673  19.598  1.00 92.20           C  
+ATOM   4803  CD  ARG B 810     -22.728  20.244  20.340  1.00 92.20           C  
+ATOM   4804  NE  ARG B 810     -22.457  19.158  21.277  1.00 92.20           N  
+ATOM   4805  NH1 ARG B 810     -24.619  19.034  22.080  1.00 92.20           N  
+ATOM   4806  NH2 ARG B 810     -23.006  17.625  22.896  1.00 92.20           N  
+ATOM   4807  CZ  ARG B 810     -23.361  18.608  22.082  1.00 92.20           C  
+ATOM   4808  N   ALA B 811     -17.529  21.173  21.642  1.00 88.82           N  
+ATOM   4809  CA  ALA B 811     -16.584  21.628  22.659  1.00 88.82           C  
+ATOM   4810  C   ALA B 811     -15.196  21.841  22.062  1.00 88.82           C  
+ATOM   4811  CB  ALA B 811     -16.517  20.626  23.809  1.00 88.82           C  
+ATOM   4812  O   ALA B 811     -14.340  22.479  22.679  1.00 88.82           O  
+ATOM   4813  N   ASP B 812     -15.052  21.411  20.810  1.00 89.48           N  
+ATOM   4814  CA  ASP B 812     -13.788  21.484  20.083  1.00 89.48           C  
+ATOM   4815  C   ASP B 812     -12.626  21.008  20.951  1.00 89.48           C  
+ATOM   4816  CB  ASP B 812     -13.530  22.911  19.596  1.00 89.48           C  
+ATOM   4817  O   ASP B 812     -11.592  21.674  21.034  1.00 89.48           O  
+ATOM   4818  CG  ASP B 812     -12.446  22.990  18.535  1.00 89.48           C  
+ATOM   4819  OD1 ASP B 812     -12.190  21.977  17.849  1.00 89.48           O  
+ATOM   4820  OD2 ASP B 812     -11.841  24.073  18.387  1.00 89.48           O  
+ATOM   4821  N   GLN B 813     -12.767  19.893  21.661  1.00 89.43           N  
+ATOM   4822  CA  GLN B 813     -11.716  19.353  22.518  1.00 89.43           C  
+ATOM   4823  C   GLN B 813     -11.920  17.860  22.763  1.00 89.43           C  
+ATOM   4824  CB  GLN B 813     -11.671  20.102  23.850  1.00 89.43           C  
+ATOM   4825  O   GLN B 813     -12.999  17.325  22.503  1.00 89.43           O  
+ATOM   4826  CG  GLN B 813     -12.924  19.927  24.698  1.00 89.43           C  
+ATOM   4827  CD  GLN B 813     -12.875  20.722  25.989  1.00 89.43           C  
+ATOM   4828  NE2 GLN B 813     -14.011  20.813  26.672  1.00 89.43           N  
+ATOM   4829  OE1 GLN B 813     -11.825  21.248  26.370  1.00 89.43           O  
+ATOM   4830  N   GLU B 814     -10.884  17.297  23.314  1.00 93.71           N  
+ATOM   4831  CA  GLU B 814     -10.925  15.923  23.805  1.00 93.71           C  
+ATOM   4832  C   GLU B 814     -11.717  15.825  25.105  1.00 93.71           C  
+ATOM   4833  CB  GLU B 814      -9.507  15.383  24.010  1.00 93.71           C  
+ATOM   4834  O   GLU B 814     -11.484  16.594  26.040  1.00 93.71           O  
+ATOM   4835  CG  GLU B 814      -9.463  13.975  24.586  1.00 93.71           C  
+ATOM   4836  CD  GLU B 814      -8.062  13.528  24.971  1.00 93.71           C  
+ATOM   4837  OE1 GLU B 814      -7.839  13.179  26.153  1.00 93.71           O  
+ATOM   4838  OE2 GLU B 814      -7.179  13.528  24.084  1.00 93.71           O  
+ATOM   4839  N   LEU B 815     -12.709  14.827  25.190  1.00 94.08           N  
+ATOM   4840  CA  LEU B 815     -13.568  14.701  26.362  1.00 94.08           C  
+ATOM   4841  C   LEU B 815     -13.042  13.628  27.309  1.00 94.08           C  
+ATOM   4842  CB  LEU B 815     -15.002  14.368  25.942  1.00 94.08           C  
+ATOM   4843  O   LEU B 815     -13.162  13.758  28.530  1.00 94.08           O  
+ATOM   4844  CG  LEU B 815     -15.730  15.429  25.114  1.00 94.08           C  
+ATOM   4845  CD1 LEU B 815     -17.167  14.997  24.844  1.00 94.08           C  
+ATOM   4846  CD2 LEU B 815     -15.695  16.778  25.824  1.00 94.08           C  
+ATOM   4847  N   MET B 816     -12.480  12.568  26.744  1.00 95.65           N  
+ATOM   4848  CA  MET B 816     -12.128  11.413  27.565  1.00 95.65           C  
+ATOM   4849  C   MET B 816     -11.069  10.559  26.878  1.00 95.65           C  
+ATOM   4850  CB  MET B 816     -13.368  10.569  27.865  1.00 95.65           C  
+ATOM   4851  O   MET B 816     -11.010  10.506  25.648  1.00 95.65           O  
+ATOM   4852  CG  MET B 816     -13.152   9.526  28.950  1.00 95.65           C  
+ATOM   4853  SD  MET B 816     -13.260  10.235  30.638  1.00 95.65           S  
+ATOM   4854  CE  MET B 816     -11.831  11.353  30.608  1.00 95.65           C  
+ATOM   4855  N   THR B 817     -10.163   9.911  27.753  1.00 97.12           N  
+ATOM   4856  CA  THR B 817      -9.179   8.934  27.304  1.00 97.12           C  
+ATOM   4857  C   THR B 817      -9.481   7.555  27.886  1.00 97.12           C  
+ATOM   4858  CB  THR B 817      -7.751   9.357  27.697  1.00 97.12           C  
+ATOM   4859  O   THR B 817      -9.710   7.420  29.089  1.00 97.12           O  
+ATOM   4860  CG2 THR B 817      -6.720   8.355  27.189  1.00 97.12           C  
+ATOM   4861  OG1 THR B 817      -7.469  10.644  27.133  1.00 97.12           O  
+ATOM   4862  N   TYR B 818      -9.569   6.604  26.963  1.00 97.18           N  
+ATOM   4863  CA  TYR B 818      -9.805   5.221  27.364  1.00 97.18           C  
+ATOM   4864  C   TYR B 818      -8.519   4.406  27.293  1.00 97.18           C  
+ATOM   4865  CB  TYR B 818     -10.878   4.580  26.479  1.00 97.18           C  
+ATOM   4866  O   TYR B 818      -7.994   4.155  26.206  1.00 97.18           O  
+ATOM   4867  CG  TYR B 818     -12.146   5.392  26.379  1.00 97.18           C  
+ATOM   4868  CD1 TYR B 818     -13.233   5.127  27.209  1.00 97.18           C  
+ATOM   4869  CD2 TYR B 818     -12.261   6.425  25.454  1.00 97.18           C  
+ATOM   4870  CE1 TYR B 818     -14.405   5.872  27.119  1.00 97.18           C  
+ATOM   4871  CE2 TYR B 818     -13.428   7.176  25.355  1.00 97.18           C  
+ATOM   4872  OH  TYR B 818     -15.650   7.632  26.098  1.00 97.18           O  
+ATOM   4873  CZ  TYR B 818     -14.493   6.892  26.191  1.00 97.18           C  
+ATOM   4874  N   SER B 819      -8.041   3.978  28.462  1.00 95.37           N  
+ATOM   4875  CA  SER B 819      -6.780   3.249  28.543  1.00 95.37           C  
+ATOM   4876  C   SER B 819      -6.766   2.301  29.738  1.00 95.37           C  
+ATOM   4877  CB  SER B 819      -5.603   4.220  28.639  1.00 95.37           C  
+ATOM   4878  O   SER B 819      -7.556   2.457  30.670  1.00 95.37           O  
+ATOM   4879  OG  SER B 819      -5.661   4.963  29.844  1.00 95.37           O  
+ATOM   4880  N   HIS B 820      -5.955   1.270  29.595  1.00 93.05           N  
+ATOM   4881  CA  HIS B 820      -5.723   0.301  30.661  1.00 93.05           C  
+ATOM   4882  C   HIS B 820      -4.245  -0.062  30.762  1.00 93.05           C  
+ATOM   4883  CB  HIS B 820      -6.559  -0.959  30.431  1.00 93.05           C  
+ATOM   4884  O   HIS B 820      -3.563  -0.194  29.744  1.00 93.05           O  
+ATOM   4885  CG  HIS B 820      -6.686  -1.824  31.644  1.00 93.05           C  
+ATOM   4886  CD2 HIS B 820      -7.721  -2.014  32.496  1.00 93.05           C  
+ATOM   4887  ND1 HIS B 820      -5.659  -2.620  32.101  1.00 93.05           N  
+ATOM   4888  CE1 HIS B 820      -6.058  -3.265  33.184  1.00 93.05           C  
+ATOM   4889  NE2 HIS B 820      -7.306  -2.915  33.445  1.00 93.05           N  
+ATOM   4890  N   ASP B 821      -3.714  -0.235  32.039  1.00 88.81           N  
+ATOM   4891  CA  ASP B 821      -2.296  -0.451  32.315  1.00 88.81           C  
+ATOM   4892  C   ASP B 821      -1.798  -1.735  31.655  1.00 88.81           C  
+ATOM   4893  CB  ASP B 821      -2.045  -0.502  33.823  1.00 88.81           C  
+ATOM   4894  O   ASP B 821      -0.623  -1.841  31.300  1.00 88.81           O  
+ATOM   4895  CG  ASP B 821      -2.142   0.860  34.487  1.00 88.81           C  
+ATOM   4896  OD1 ASP B 821      -2.093   1.889  33.779  1.00 88.81           O  
+ATOM   4897  OD2 ASP B 821      -2.266   0.904  35.730  1.00 88.81           O  
+ATOM   4898  N   ASN B 822      -2.691  -2.620  31.359  1.00 87.49           N  
+ATOM   4899  CA  ASN B 822      -2.315  -3.928  30.833  1.00 87.49           C  
+ATOM   4900  C   ASN B 822      -2.436  -3.976  29.312  1.00 87.49           C  
+ATOM   4901  CB  ASN B 822      -3.168  -5.028  31.468  1.00 87.49           C  
+ATOM   4902  O   ASN B 822      -2.091  -4.982  28.689  1.00 87.49           O  
+ATOM   4903  CG  ASN B 822      -2.872  -5.218  32.943  1.00 87.49           C  
+ATOM   4904  ND2 ASN B 822      -3.873  -5.658  33.697  1.00 87.49           N  
+ATOM   4905  OD1 ASN B 822      -1.753  -4.971  33.401  1.00 87.49           O  
+ATOM   4906  N   ILE B 823      -2.816  -2.870  28.712  1.00 89.39           N  
+ATOM   4907  CA  ILE B 823      -2.950  -2.795  27.261  1.00 89.39           C  
+ATOM   4908  C   ILE B 823      -1.847  -1.909  26.687  1.00 89.39           C  
+ATOM   4909  CB  ILE B 823      -4.338  -2.257  26.849  1.00 89.39           C  
+ATOM   4910  O   ILE B 823      -1.818  -0.701  26.937  1.00 89.39           O  
+ATOM   4911  CG1 ILE B 823      -5.447  -3.155  27.409  1.00 89.39           C  
+ATOM   4912  CG2 ILE B 823      -4.443  -2.144  25.325  1.00 89.39           C  
+ATOM   4913  CD1 ILE B 823      -6.852  -2.608  27.202  1.00 89.39           C  
+ATOM   4914  N   ILE B 824      -0.921  -2.531  25.934  1.00 88.33           N  
+ATOM   4915  CA  ILE B 824       0.202  -1.766  25.404  1.00 88.33           C  
+ATOM   4916  C   ILE B 824       0.235  -1.886  23.882  1.00 88.33           C  
+ATOM   4917  CB  ILE B 824       1.543  -2.238  26.008  1.00 88.33           C  
+ATOM   4918  O   ILE B 824       1.109  -1.313  23.227  1.00 88.33           O  
+ATOM   4919  CG1 ILE B 824       1.726  -3.744  25.791  1.00 88.33           C  
+ATOM   4920  CG2 ILE B 824       1.619  -1.886  27.497  1.00 88.33           C  
+ATOM   4921  CD1 ILE B 824       3.119  -4.254  26.135  1.00 88.33           C  
+ATOM   4922  N   CYS B 825      -0.723  -2.528  23.365  1.00 90.95           N  
+ATOM   4923  CA  CYS B 825      -0.777  -2.785  21.930  1.00 90.95           C  
+ATOM   4924  C   CYS B 825      -1.638  -1.746  21.222  1.00 90.95           C  
+ATOM   4925  CB  CYS B 825      -1.323  -4.186  21.657  1.00 90.95           C  
+ATOM   4926  O   CYS B 825      -2.503  -1.125  21.842  1.00 90.95           O  
+ATOM   4927  SG  CYS B 825      -0.473  -5.491  22.571  1.00 90.95           S  
+ATOM   4928  N   GLY B 826      -1.360  -1.490  19.953  1.00 93.33           N  
+ATOM   4929  CA  GLY B 826      -2.059  -0.492  19.159  1.00 93.33           C  
+ATOM   4930  C   GLY B 826      -3.499  -0.866  18.865  1.00 93.33           C  
+ATOM   4931  O   GLY B 826      -3.829  -2.049  18.755  1.00 93.33           O  
+ATOM   4932  N   ILE B 827      -4.322   0.094  18.732  1.00 97.48           N  
+ATOM   4933  CA  ILE B 827      -5.738  -0.067  18.417  1.00 97.48           C  
+ATOM   4934  C   ILE B 827      -5.928  -0.109  16.903  1.00 97.48           C  
+ATOM   4935  CB  ILE B 827      -6.586   1.069  19.032  1.00 97.48           C  
+ATOM   4936  O   ILE B 827      -5.395   0.737  16.180  1.00 97.48           O  
+ATOM   4937  CG1 ILE B 827      -6.480   1.046  20.562  1.00 97.48           C  
+ATOM   4938  CG2 ILE B 827      -8.046   0.958  18.582  1.00 97.48           C  
+ATOM   4939  CD1 ILE B 827      -7.094   2.261  21.243  1.00 97.48           C  
+ATOM   4940  N   THR B 828      -6.736  -1.073  16.455  1.00 97.05           N  
+ATOM   4941  CA  THR B 828      -6.854  -1.277  15.016  1.00 97.05           C  
+ATOM   4942  C   THR B 828      -8.238  -0.865  14.522  1.00 97.05           C  
+ATOM   4943  CB  THR B 828      -6.587  -2.746  14.636  1.00 97.05           C  
+ATOM   4944  O   THR B 828      -8.420  -0.575  13.338  1.00 97.05           O  
+ATOM   4945  CG2 THR B 828      -5.152  -3.146  14.963  1.00 97.05           C  
+ATOM   4946  OG1 THR B 828      -7.485  -3.592  15.365  1.00 97.05           O  
+ATOM   4947  N   SER B 829      -9.275  -0.913  15.340  1.00 97.72           N  
+ATOM   4948  CA  SER B 829     -10.638  -0.570  14.946  1.00 97.72           C  
+ATOM   4949  C   SER B 829     -11.458  -0.102  16.144  1.00 97.72           C  
+ATOM   4950  CB  SER B 829     -11.323  -1.767  14.285  1.00 97.72           C  
+ATOM   4951  O   SER B 829     -11.187  -0.495  17.280  1.00 97.72           O  
+ATOM   4952  OG  SER B 829     -11.396  -2.862  15.182  1.00 97.72           O  
+ATOM   4953  N   VAL B 830     -12.437   0.788  15.883  1.00 98.21           N  
+ATOM   4954  CA  VAL B 830     -13.305   1.301  16.938  1.00 98.21           C  
+ATOM   4955  C   VAL B 830     -14.741   1.395  16.426  1.00 98.21           C  
+ATOM   4956  CB  VAL B 830     -12.828   2.681  17.444  1.00 98.21           C  
+ATOM   4957  O   VAL B 830     -14.969   1.632  15.238  1.00 98.21           O  
+ATOM   4958  CG1 VAL B 830     -11.463   2.566  18.119  1.00 98.21           C  
+ATOM   4959  CG2 VAL B 830     -12.775   3.682  16.292  1.00 98.21           C  
+ATOM   4960  N   SER B 831     -15.724   1.182  17.303  1.00 98.11           N  
+ATOM   4961  CA  SER B 831     -17.139   1.345  16.988  1.00 98.11           C  
+ATOM   4962  C   SER B 831     -17.957   1.618  18.245  1.00 98.11           C  
+ATOM   4963  CB  SER B 831     -17.678   0.102  16.279  1.00 98.11           C  
+ATOM   4964  O   SER B 831     -17.626   1.128  19.326  1.00 98.11           O  
+ATOM   4965  OG  SER B 831     -18.971   0.344  15.752  1.00 98.11           O  
+ATOM   4966  N   PHE B 832     -19.017   2.418  18.084  1.00 98.07           N  
+ATOM   4967  CA  PHE B 832     -19.931   2.678  19.190  1.00 98.07           C  
+ATOM   4968  C   PHE B 832     -21.131   1.741  19.133  1.00 98.07           C  
+ATOM   4969  CB  PHE B 832     -20.403   4.136  19.168  1.00 98.07           C  
+ATOM   4970  O   PHE B 832     -21.572   1.354  18.049  1.00 98.07           O  
+ATOM   4971  CG  PHE B 832     -19.398   5.107  19.726  1.00 98.07           C  
+ATOM   4972  CD1 PHE B 832     -19.176   5.190  21.095  1.00 98.07           C  
+ATOM   4973  CD2 PHE B 832     -18.674   5.938  18.880  1.00 98.07           C  
+ATOM   4974  CE1 PHE B 832     -18.247   6.089  21.614  1.00 98.07           C  
+ATOM   4975  CE2 PHE B 832     -17.744   6.839  19.392  1.00 98.07           C  
+ATOM   4976  CZ  PHE B 832     -17.533   6.913  20.759  1.00 98.07           C  
+ATOM   4977  N   SER B 833     -21.624   1.398  20.350  1.00 97.02           N  
+ATOM   4978  CA  SER B 833     -22.972   0.840  20.376  1.00 97.02           C  
+ATOM   4979  C   SER B 833     -24.001   1.857  19.894  1.00 97.02           C  
+ATOM   4980  CB  SER B 833     -23.330   0.369  21.786  1.00 97.02           C  
+ATOM   4981  O   SER B 833     -23.744   3.063  19.909  1.00 97.02           O  
+ATOM   4982  OG  SER B 833     -23.391   1.465  22.682  1.00 97.02           O  
+ATOM   4983  N   LYS B 834     -25.126   1.343  19.406  1.00 95.16           N  
+ATOM   4984  CA  LYS B 834     -26.144   2.237  18.862  1.00 95.16           C  
+ATOM   4985  C   LYS B 834     -26.579   3.269  19.898  1.00 95.16           C  
+ATOM   4986  CB  LYS B 834     -27.355   1.440  18.375  1.00 95.16           C  
+ATOM   4987  O   LYS B 834     -26.857   4.421  19.556  1.00 95.16           O  
+ATOM   4988  CG  LYS B 834     -28.416   2.286  17.686  1.00 95.16           C  
+ATOM   4989  CD  LYS B 834     -27.918   2.830  16.353  1.00 95.16           C  
+ATOM   4990  CE  LYS B 834     -29.012   3.587  15.613  1.00 95.16           C  
+ATOM   4991  NZ  LYS B 834     -28.523   4.139  14.314  1.00 95.16           N  
+ATOM   4992  N   SER B 835     -26.594   2.924  21.210  1.00 94.95           N  
+ATOM   4993  CA  SER B 835     -26.963   3.827  22.295  1.00 94.95           C  
+ATOM   4994  C   SER B 835     -25.863   4.850  22.561  1.00 94.95           C  
+ATOM   4995  CB  SER B 835     -27.259   3.040  23.572  1.00 94.95           C  
+ATOM   4996  O   SER B 835     -26.110   5.889  23.177  1.00 94.95           O  
+ATOM   4997  OG  SER B 835     -26.080   2.433  24.073  1.00 94.95           O  
+ATOM   4998  N   GLY B 836     -24.634   4.506  22.145  1.00 95.64           N  
+ATOM   4999  CA  GLY B 836     -23.488   5.360  22.415  1.00 95.64           C  
+ATOM   5000  C   GLY B 836     -22.884   5.131  23.788  1.00 95.64           C  
+ATOM   5001  O   GLY B 836     -21.916   5.795  24.165  1.00 95.64           O  
+ATOM   5002  N   ARG B 837     -23.449   4.143  24.528  1.00 95.76           N  
+ATOM   5003  CA  ARG B 837     -23.037   3.858  25.899  1.00 95.76           C  
+ATOM   5004  C   ARG B 837     -21.770   3.010  25.924  1.00 95.76           C  
+ATOM   5005  CB  ARG B 837     -24.158   3.147  26.660  1.00 95.76           C  
+ATOM   5006  O   ARG B 837     -20.980   3.094  26.867  1.00 95.76           O  
+ATOM   5007  CG  ARG B 837     -23.776   2.731  28.072  1.00 95.76           C  
+ATOM   5008  CD  ARG B 837     -23.465   3.934  28.950  1.00 95.76           C  
+ATOM   5009  NE  ARG B 837     -23.149   3.535  30.319  1.00 95.76           N  
+ATOM   5010  NH1 ARG B 837     -22.565   5.657  31.022  1.00 95.76           N  
+ATOM   5011  NH2 ARG B 837     -22.469   3.894  32.483  1.00 95.76           N  
+ATOM   5012  CZ  ARG B 837     -22.728   4.363  31.272  1.00 95.76           C  
+ATOM   5013  N   LEU B 838     -21.545   2.239  24.909  1.00 97.45           N  
+ATOM   5014  CA  LEU B 838     -20.372   1.375  24.833  1.00 97.45           C  
+ATOM   5015  C   LEU B 838     -19.460   1.796  23.685  1.00 97.45           C  
+ATOM   5016  CB  LEU B 838     -20.793  -0.086  24.655  1.00 97.45           C  
+ATOM   5017  O   LEU B 838     -19.937   2.131  22.598  1.00 97.45           O  
+ATOM   5018  CG  LEU B 838     -21.743  -0.651  25.712  1.00 97.45           C  
+ATOM   5019  CD1 LEU B 838     -22.101  -2.097  25.385  1.00 97.45           C  
+ATOM   5020  CD2 LEU B 838     -21.120  -0.551  27.100  1.00 97.45           C  
+ATOM   5021  N   LEU B 839     -18.196   1.881  23.975  1.00 98.20           N  
+ATOM   5022  CA  LEU B 839     -17.149   2.021  22.968  1.00 98.20           C  
+ATOM   5023  C   LEU B 839     -16.359   0.725  22.823  1.00 98.20           C  
+ATOM   5024  CB  LEU B 839     -16.206   3.170  23.333  1.00 98.20           C  
+ATOM   5025  O   LEU B 839     -15.736   0.262  23.781  1.00 98.20           O  
+ATOM   5026  CG  LEU B 839     -14.991   3.364  22.424  1.00 98.20           C  
+ATOM   5027  CD1 LEU B 839     -15.438   3.699  21.005  1.00 98.20           C  
+ATOM   5028  CD2 LEU B 839     -14.079   4.456  22.974  1.00 98.20           C  
+ATOM   5029  N   LEU B 840     -16.472   0.111  21.605  1.00 98.20           N  
+ATOM   5030  CA  LEU B 840     -15.760  -1.125  21.300  1.00 98.20           C  
+ATOM   5031  C   LEU B 840     -14.461  -0.834  20.556  1.00 98.20           C  
+ATOM   5032  CB  LEU B 840     -16.641  -2.060  20.468  1.00 98.20           C  
+ATOM   5033  O   LEU B 840     -14.449  -0.055  19.600  1.00 98.20           O  
+ATOM   5034  CG  LEU B 840     -17.978  -2.465  21.091  1.00 98.20           C  
+ATOM   5035  CD1 LEU B 840     -19.112  -1.641  20.491  1.00 98.20           C  
+ATOM   5036  CD2 LEU B 840     -18.230  -3.956  20.895  1.00 98.20           C  
+ATOM   5037  N   ALA B 841     -13.346  -1.485  21.013  1.00 98.15           N  
+ATOM   5038  CA  ALA B 841     -12.052  -1.246  20.380  1.00 98.15           C  
+ATOM   5039  C   ALA B 841     -11.299  -2.555  20.160  1.00 98.15           C  
+ATOM   5040  CB  ALA B 841     -11.214  -0.290  21.225  1.00 98.15           C  
+ATOM   5041  O   ALA B 841     -11.069  -3.313  21.106  1.00 98.15           O  
+ATOM   5042  N   GLY B 842     -10.961  -2.807  18.848  1.00 97.49           N  
+ATOM   5043  CA  GLY B 842     -10.112  -3.936  18.503  1.00 97.49           C  
+ATOM   5044  C   GLY B 842      -8.633  -3.639  18.657  1.00 97.49           C  
+ATOM   5045  O   GLY B 842      -8.170  -2.555  18.293  1.00 97.49           O  
+ATOM   5046  N   TYR B 843      -7.871  -4.652  19.134  1.00 95.99           N  
+ATOM   5047  CA  TYR B 843      -6.460  -4.431  19.427  1.00 95.99           C  
+ATOM   5048  C   TYR B 843      -5.587  -5.455  18.712  1.00 95.99           C  
+ATOM   5049  CB  TYR B 843      -6.208  -4.493  20.937  1.00 95.99           C  
+ATOM   5050  O   TYR B 843      -6.070  -6.512  18.301  1.00 95.99           O  
+ATOM   5051  CG  TYR B 843      -6.785  -3.324  21.698  1.00 95.99           C  
+ATOM   5052  CD1 TYR B 843      -5.970  -2.281  22.133  1.00 95.99           C  
+ATOM   5053  CD2 TYR B 843      -8.145  -3.260  21.983  1.00 95.99           C  
+ATOM   5054  CE1 TYR B 843      -6.497  -1.203  22.836  1.00 95.99           C  
+ATOM   5055  CE2 TYR B 843      -8.682  -2.187  22.685  1.00 95.99           C  
+ATOM   5056  OH  TYR B 843      -8.379  -0.099  23.802  1.00 95.99           O  
+ATOM   5057  CZ  TYR B 843      -7.852  -1.164  23.107  1.00 95.99           C  
+ATOM   5058  N   ASP B 844      -4.279  -5.163  18.675  1.00 92.45           N  
+ATOM   5059  CA  ASP B 844      -3.273  -6.020  18.055  1.00 92.45           C  
+ATOM   5060  C   ASP B 844      -3.072  -7.302  18.860  1.00 92.45           C  
+ATOM   5061  CB  ASP B 844      -1.944  -5.273  17.916  1.00 92.45           C  
+ATOM   5062  O   ASP B 844      -2.554  -8.293  18.340  1.00 92.45           O  
+ATOM   5063  CG  ASP B 844      -1.938  -4.285  16.763  1.00 92.45           C  
+ATOM   5064  OD1 ASP B 844      -2.755  -4.432  15.829  1.00 92.45           O  
+ATOM   5065  OD2 ASP B 844      -1.106  -3.352  16.788  1.00 92.45           O  
+ATOM   5066  N   ASP B 845      -3.539  -7.296  20.027  1.00 91.60           N  
+ATOM   5067  CA  ASP B 845      -3.328  -8.435  20.916  1.00 91.60           C  
+ATOM   5068  C   ASP B 845      -4.471  -9.441  20.800  1.00 91.60           C  
+ATOM   5069  CB  ASP B 845      -3.186  -7.965  22.366  1.00 91.60           C  
+ATOM   5070  O   ASP B 845      -4.679 -10.258  21.700  1.00 91.60           O  
+ATOM   5071  CG  ASP B 845      -4.458  -7.343  22.915  1.00 91.60           C  
+ATOM   5072  OD1 ASP B 845      -5.402  -7.096  22.134  1.00 91.60           O  
+ATOM   5073  OD2 ASP B 845      -4.514  -7.095  24.139  1.00 91.60           O  
+ATOM   5074  N   PHE B 846      -5.325  -9.314  19.792  1.00 93.71           N  
+ATOM   5075  CA  PHE B 846      -6.338 -10.288  19.402  1.00 93.71           C  
+ATOM   5076  C   PHE B 846      -7.666  -9.992  20.088  1.00 93.71           C  
+ATOM   5077  CB  PHE B 846      -5.877 -11.709  19.740  1.00 93.71           C  
+ATOM   5078  O   PHE B 846      -8.693 -10.583  19.746  1.00 93.71           O  
+ATOM   5079  CG  PHE B 846      -4.473 -12.015  19.292  1.00 93.71           C  
+ATOM   5080  CD1 PHE B 846      -3.858 -11.245  18.313  1.00 93.71           C  
+ATOM   5081  CD2 PHE B 846      -3.768 -13.072  19.852  1.00 93.71           C  
+ATOM   5082  CE1 PHE B 846      -2.558 -11.525  17.897  1.00 93.71           C  
+ATOM   5083  CE2 PHE B 846      -2.469 -13.359  19.442  1.00 93.71           C  
+ATOM   5084  CZ  PHE B 846      -1.867 -12.584  18.463  1.00 93.71           C  
+ATOM   5085  N   ASN B 847      -7.629  -9.031  21.087  1.00 94.71           N  
+ATOM   5086  CA  ASN B 847      -8.832  -8.775  21.871  1.00 94.71           C  
+ATOM   5087  C   ASN B 847      -9.560  -7.523  21.388  1.00 94.71           C  
+ATOM   5088  CB  ASN B 847      -8.488  -8.649  23.357  1.00 94.71           C  
+ATOM   5089  O   ASN B 847      -8.939  -6.614  20.834  1.00 94.71           O  
+ATOM   5090  CG  ASN B 847      -7.951  -9.940  23.943  1.00 94.71           C  
+ATOM   5091  ND2 ASN B 847      -6.889  -9.836  24.733  1.00 94.71           N  
+ATOM   5092  OD1 ASN B 847      -8.486 -11.022  23.688  1.00 94.71           O  
+ATOM   5093  N   CYS B 848     -10.890  -7.550  21.638  1.00 96.65           N  
+ATOM   5094  CA  CYS B 848     -11.729  -6.362  21.532  1.00 96.65           C  
+ATOM   5095  C   CYS B 848     -12.201  -5.903  22.906  1.00 96.65           C  
+ATOM   5096  CB  CYS B 848     -12.935  -6.635  20.633  1.00 96.65           C  
+ATOM   5097  O   CYS B 848     -12.913  -6.633  23.598  1.00 96.65           O  
+ATOM   5098  SG  CYS B 848     -14.017  -5.206  20.413  1.00 96.65           S  
+ATOM   5099  N   ASN B 849     -11.784  -4.718  23.306  1.00 96.74           N  
+ATOM   5100  CA  ASN B 849     -12.165  -4.179  24.608  1.00 96.74           C  
+ATOM   5101  C   ASN B 849     -13.440  -3.345  24.518  1.00 96.74           C  
+ATOM   5102  CB  ASN B 849     -11.026  -3.347  25.199  1.00 96.74           C  
+ATOM   5103  O   ASN B 849     -13.621  -2.580  23.569  1.00 96.74           O  
+ATOM   5104  CG  ASN B 849      -9.840  -4.194  25.617  1.00 96.74           C  
+ATOM   5105  ND2 ASN B 849      -8.836  -4.277  24.752  1.00 96.74           N  
+ATOM   5106  OD1 ASN B 849      -9.826  -4.769  26.708  1.00 96.74           O  
+ATOM   5107  N   VAL B 850     -14.341  -3.528  25.489  1.00 97.55           N  
+ATOM   5108  CA  VAL B 850     -15.595  -2.789  25.585  1.00 97.55           C  
+ATOM   5109  C   VAL B 850     -15.511  -1.772  26.721  1.00 97.55           C  
+ATOM   5110  CB  VAL B 850     -16.796  -3.736  25.806  1.00 97.55           C  
+ATOM   5111  O   VAL B 850     -15.326  -2.143  27.882  1.00 97.55           O  
+ATOM   5112  CG1 VAL B 850     -18.110  -2.956  25.787  1.00 97.55           C  
+ATOM   5113  CG2 VAL B 850     -16.809  -4.837  24.746  1.00 97.55           C  
+ATOM   5114  N   TRP B 851     -15.582  -0.490  26.327  1.00 97.65           N  
+ATOM   5115  CA  TRP B 851     -15.440   0.590  27.298  1.00 97.65           C  
+ATOM   5116  C   TRP B 851     -16.792   1.223  27.609  1.00 97.65           C  
+ATOM   5117  CB  TRP B 851     -14.471   1.656  26.779  1.00 97.65           C  
+ATOM   5118  O   TRP B 851     -17.649   1.337  26.729  1.00 97.65           O  
+ATOM   5119  CG  TRP B 851     -13.110   1.128  26.440  1.00 97.65           C  
+ATOM   5120  CD1 TRP B 851     -12.669   0.711  25.215  1.00 97.65           C  
+ATOM   5121  CD2 TRP B 851     -12.012   0.956  27.341  1.00 97.65           C  
+ATOM   5122  CE2 TRP B 851     -10.935   0.430  26.593  1.00 97.65           C  
+ATOM   5123  CE3 TRP B 851     -11.833   1.197  28.710  1.00 97.65           C  
+ATOM   5124  NE1 TRP B 851     -11.362   0.290  25.300  1.00 97.65           N  
+ATOM   5125  CH2 TRP B 851      -9.548   0.385  28.510  1.00 97.65           C  
+ATOM   5126  CZ2 TRP B 851      -9.696   0.141  27.169  1.00 97.65           C  
+ATOM   5127  CZ3 TRP B 851     -10.599   0.908  29.282  1.00 97.65           C  
+ATOM   5128  N   ASP B 852     -16.924   1.528  28.844  1.00 97.09           N  
+ATOM   5129  CA  ASP B 852     -17.977   2.471  29.208  1.00 97.09           C  
+ATOM   5130  C   ASP B 852     -17.640   3.882  28.731  1.00 97.09           C  
+ATOM   5131  CB  ASP B 852     -18.202   2.466  30.721  1.00 97.09           C  
+ATOM   5132  O   ASP B 852     -16.750   4.532  29.282  1.00 97.09           O  
+ATOM   5133  CG  ASP B 852     -19.389   3.312  31.147  1.00 97.09           C  
+ATOM   5134  OD1 ASP B 852     -19.795   4.219  30.389  1.00 97.09           O  
+ATOM   5135  OD2 ASP B 852     -19.922   3.070  32.252  1.00 97.09           O  
+ATOM   5136  N   ALA B 853     -18.419   4.330  27.765  1.00 96.42           N  
+ATOM   5137  CA  ALA B 853     -18.077   5.572  27.077  1.00 96.42           C  
+ATOM   5138  C   ALA B 853     -18.120   6.759  28.034  1.00 96.42           C  
+ATOM   5139  CB  ALA B 853     -19.022   5.806  25.901  1.00 96.42           C  
+ATOM   5140  O   ALA B 853     -17.382   7.732  27.860  1.00 96.42           O  
+ATOM   5141  N   LEU B 854     -18.853   6.711  29.103  1.00 95.57           N  
+ATOM   5142  CA  LEU B 854     -19.069   7.836  30.005  1.00 95.57           C  
+ATOM   5143  C   LEU B 854     -18.085   7.795  31.170  1.00 95.57           C  
+ATOM   5144  CB  LEU B 854     -20.505   7.831  30.535  1.00 95.57           C  
+ATOM   5145  O   LEU B 854     -17.728   8.838  31.723  1.00 95.57           O  
+ATOM   5146  CG  LEU B 854     -21.612   8.020  29.496  1.00 95.57           C  
+ATOM   5147  CD1 LEU B 854     -22.981   7.980  30.166  1.00 95.57           C  
+ATOM   5148  CD2 LEU B 854     -21.419   9.330  28.740  1.00 95.57           C  
+ATOM   5149  N   LYS B 855     -17.585   6.513  31.522  1.00 94.83           N  
+ATOM   5150  CA  LYS B 855     -16.805   6.363  32.747  1.00 94.83           C  
+ATOM   5151  C   LYS B 855     -15.367   5.954  32.437  1.00 94.83           C  
+ATOM   5152  CB  LYS B 855     -17.453   5.333  33.674  1.00 94.83           C  
+ATOM   5153  O   LYS B 855     -14.507   5.970  33.320  1.00 94.83           O  
+ATOM   5154  CG  LYS B 855     -18.856   5.708  34.129  1.00 94.83           C  
+ATOM   5155  CD  LYS B 855     -18.838   6.905  35.070  1.00 94.83           C  
+ATOM   5156  CE  LYS B 855     -20.223   7.198  35.630  1.00 94.83           C  
+ATOM   5157  NZ  LYS B 855     -20.204   8.349  36.582  1.00 94.83           N  
+ATOM   5158  N   ALA B 856     -15.127   5.579  31.246  1.00 94.90           N  
+ATOM   5159  CA  ALA B 856     -13.813   5.173  30.753  1.00 94.90           C  
+ATOM   5160  C   ALA B 856     -13.332   3.906  31.454  1.00 94.90           C  
+ATOM   5161  CB  ALA B 856     -12.802   6.301  30.944  1.00 94.90           C  
+ATOM   5162  O   ALA B 856     -12.129   3.640  31.510  1.00 94.90           O  
+ATOM   5163  N   ASP B 857     -14.328   3.242  32.095  1.00 94.71           N  
+ATOM   5164  CA  ASP B 857     -14.033   1.943  32.690  1.00 94.71           C  
+ATOM   5165  C   ASP B 857     -14.162   0.824  31.659  1.00 94.71           C  
+ATOM   5166  CB  ASP B 857     -14.961   1.673  33.877  1.00 94.71           C  
+ATOM   5167  O   ASP B 857     -15.039   0.868  30.793  1.00 94.71           O  
+ATOM   5168  CG  ASP B 857     -14.717   2.612  35.045  1.00 94.71           C  
+ATOM   5169  OD1 ASP B 857     -13.612   3.188  35.145  1.00 94.71           O  
+ATOM   5170  OD2 ASP B 857     -15.637   2.776  35.876  1.00 94.71           O  
+ATOM   5171  N   ARG B 858     -13.248  -0.116  31.758  1.00 95.10           N  
+ATOM   5172  CA  ARG B 858     -13.351  -1.299  30.910  1.00 95.10           C  
+ATOM   5173  C   ARG B 858     -14.497  -2.198  31.362  1.00 95.10           C  
+ATOM   5174  CB  ARG B 858     -12.036  -2.082  30.917  1.00 95.10           C  
+ATOM   5175  O   ARG B 858     -14.462  -2.751  32.463  1.00 95.10           O  
+ATOM   5176  CG  ARG B 858     -11.985  -3.208  29.897  1.00 95.10           C  
+ATOM   5177  CD  ARG B 858     -10.599  -3.835  29.819  1.00 95.10           C  
+ATOM   5178  NE  ARG B 858     -10.300  -4.632  31.005  1.00 95.10           N  
+ATOM   5179  NH1 ARG B 858      -8.287  -5.438  30.210  1.00 95.10           N  
+ATOM   5180  NH2 ARG B 858      -9.037  -6.061  32.285  1.00 95.10           N  
+ATOM   5181  CZ  ARG B 858      -9.209  -5.375  31.164  1.00 95.10           C  
+ATOM   5182  N   ALA B 859     -15.555  -2.257  30.517  1.00 95.45           N  
+ATOM   5183  CA  ALA B 859     -16.795  -2.949  30.859  1.00 95.45           C  
+ATOM   5184  C   ALA B 859     -16.736  -4.417  30.446  1.00 95.45           C  
+ATOM   5185  CB  ALA B 859     -17.988  -2.261  30.201  1.00 95.45           C  
+ATOM   5186  O   ALA B 859     -17.451  -5.254  31.001  1.00 95.45           O  
+ATOM   5187  N   GLY B 860     -15.840  -4.819  29.520  1.00 95.37           N  
+ATOM   5188  CA  GLY B 860     -15.725  -6.198  29.071  1.00 95.37           C  
+ATOM   5189  C   GLY B 860     -14.663  -6.391  28.004  1.00 95.37           C  
+ATOM   5190  O   GLY B 860     -14.113  -5.417  27.485  1.00 95.37           O  
+ATOM   5191  N   VAL B 861     -14.351  -7.687  27.773  1.00 95.42           N  
+ATOM   5192  CA  VAL B 861     -13.391  -8.087  26.749  1.00 95.42           C  
+ATOM   5193  C   VAL B 861     -14.001  -9.171  25.864  1.00 95.42           C  
+ATOM   5194  CB  VAL B 861     -12.071  -8.590  27.374  1.00 95.42           C  
+ATOM   5195  O   VAL B 861     -14.519 -10.172  26.365  1.00 95.42           O  
+ATOM   5196  CG1 VAL B 861     -11.078  -8.995  26.286  1.00 95.42           C  
+ATOM   5197  CG2 VAL B 861     -11.467  -7.518  28.280  1.00 95.42           C  
+ATOM   5198  N   LEU B 862     -14.041  -8.871  24.552  1.00 95.69           N  
+ATOM   5199  CA  LEU B 862     -14.414  -9.904  23.592  1.00 95.69           C  
+ATOM   5200  C   LEU B 862     -13.189 -10.689  23.134  1.00 95.69           C  
+ATOM   5201  CB  LEU B 862     -15.118  -9.283  22.382  1.00 95.69           C  
+ATOM   5202  O   LEU B 862     -12.404 -10.201  22.317  1.00 95.69           O  
+ATOM   5203  CG  LEU B 862     -16.228  -8.276  22.688  1.00 95.69           C  
+ATOM   5204  CD1 LEU B 862     -16.881  -7.799  21.395  1.00 95.69           C  
+ATOM   5205  CD2 LEU B 862     -17.265  -8.889  23.622  1.00 95.69           C  
+ATOM   5206  N   ALA B 863     -13.084 -11.937  23.729  1.00 93.89           N  
+ATOM   5207  CA  ALA B 863     -11.938 -12.796  23.441  1.00 93.89           C  
+ATOM   5208  C   ALA B 863     -12.364 -14.034  22.658  1.00 93.89           C  
+ATOM   5209  CB  ALA B 863     -11.240 -13.203  24.736  1.00 93.89           C  
+ATOM   5210  O   ALA B 863     -13.102 -14.878  23.172  1.00 93.89           O  
+ATOM   5211  N   GLY B 864     -12.068 -14.087  21.406  1.00 92.51           N  
+ATOM   5212  CA  GLY B 864     -12.463 -15.231  20.600  1.00 92.51           C  
+ATOM   5213  C   GLY B 864     -11.564 -15.454  19.399  1.00 92.51           C  
+ATOM   5214  O   GLY B 864     -11.517 -16.556  18.848  1.00 92.51           O  
+ATOM   5215  N   HIS B 865     -10.721 -14.537  19.143  1.00 96.31           N  
+ATOM   5216  CA  HIS B 865      -9.829 -14.633  17.993  1.00 96.31           C  
+ATOM   5217  C   HIS B 865      -8.446 -15.123  18.408  1.00 96.31           C  
+ATOM   5218  CB  HIS B 865      -9.716 -13.280  17.288  1.00 96.31           C  
+ATOM   5219  O   HIS B 865      -8.046 -14.961  19.563  1.00 96.31           O  
+ATOM   5220  CG  HIS B 865     -10.929 -12.916  16.491  1.00 96.31           C  
+ATOM   5221  CD2 HIS B 865     -11.864 -11.956  16.684  1.00 96.31           C  
+ATOM   5222  ND1 HIS B 865     -11.291 -13.582  15.340  1.00 96.31           N  
+ATOM   5223  CE1 HIS B 865     -12.399 -13.045  14.858  1.00 96.31           C  
+ATOM   5224  NE2 HIS B 865     -12.767 -12.056  15.655  1.00 96.31           N  
+ATOM   5225  N   ASP B 866      -7.664 -15.667  17.469  1.00 94.63           N  
+ATOM   5226  CA  ASP B 866      -6.344 -16.236  17.720  1.00 94.63           C  
+ATOM   5227  C   ASP B 866      -5.246 -15.370  17.107  1.00 94.63           C  
+ATOM   5228  CB  ASP B 866      -6.260 -17.661  17.167  1.00 94.63           C  
+ATOM   5229  O   ASP B 866      -4.078 -15.763  17.083  1.00 94.63           O  
+ATOM   5230  CG  ASP B 866      -7.144 -18.641  17.918  1.00 94.63           C  
+ATOM   5231  OD1 ASP B 866      -7.243 -18.545  19.160  1.00 94.63           O  
+ATOM   5232  OD2 ASP B 866      -7.743 -19.520  17.262  1.00 94.63           O  
+ATOM   5233  N   ASN B 867      -5.689 -14.316  16.531  1.00 94.39           N  
+ATOM   5234  CA  ASN B 867      -4.790 -13.342  15.921  1.00 94.39           C  
+ATOM   5235  C   ASN B 867      -5.356 -11.927  16.003  1.00 94.39           C  
+ATOM   5236  CB  ASN B 867      -4.503 -13.714  14.464  1.00 94.39           C  
+ATOM   5237  O   ASN B 867      -6.403 -11.708  16.614  1.00 94.39           O  
+ATOM   5238  CG  ASN B 867      -3.095 -13.349  14.035  1.00 94.39           C  
+ATOM   5239  ND2 ASN B 867      -2.476 -14.212  13.237  1.00 94.39           N  
+ATOM   5240  OD1 ASN B 867      -2.568 -12.302  14.418  1.00 94.39           O  
+ATOM   5241  N   ARG B 868      -4.654 -10.942  15.454  1.00 93.76           N  
+ATOM   5242  CA  ARG B 868      -4.986  -9.521  15.496  1.00 93.76           C  
+ATOM   5243  C   ARG B 868      -6.410  -9.277  15.007  1.00 93.76           C  
+ATOM   5244  CB  ARG B 868      -3.996  -8.712  14.655  1.00 93.76           C  
+ATOM   5245  O   ARG B 868      -6.805  -9.783  13.954  1.00 93.76           O  
+ATOM   5246  CG  ARG B 868      -4.363  -7.243  14.517  1.00 93.76           C  
+ATOM   5247  CD  ARG B 868      -3.381  -6.499  13.623  1.00 93.76           C  
+ATOM   5248  NE  ARG B 868      -3.643  -5.063  13.612  1.00 93.76           N  
+ATOM   5249  NH1 ARG B 868      -2.034  -4.570  12.030  1.00 93.76           N  
+ATOM   5250  NH2 ARG B 868      -3.317  -2.895  12.925  1.00 93.76           N  
+ATOM   5251  CZ  ARG B 868      -2.998  -4.179  12.856  1.00 93.76           C  
+ATOM   5252  N   VAL B 869      -7.243  -8.467  15.850  1.00 97.13           N  
+ATOM   5253  CA  VAL B 869      -8.547  -7.998  15.395  1.00 97.13           C  
+ATOM   5254  C   VAL B 869      -8.374  -6.762  14.516  1.00 97.13           C  
+ATOM   5255  CB  VAL B 869      -9.482  -7.680  16.584  1.00 97.13           C  
+ATOM   5256  O   VAL B 869      -7.960  -5.704  14.997  1.00 97.13           O  
+ATOM   5257  CG1 VAL B 869     -10.830  -7.160  16.086  1.00 97.13           C  
+ATOM   5258  CG2 VAL B 869      -9.673  -8.919  17.457  1.00 97.13           C  
+ATOM   5259  N   SER B 870      -8.630  -6.957  13.258  1.00 96.65           N  
+ATOM   5260  CA  SER B 870      -8.290  -5.926  12.283  1.00 96.65           C  
+ATOM   5261  C   SER B 870      -9.475  -5.005  12.015  1.00 96.65           C  
+ATOM   5262  CB  SER B 870      -7.821  -6.561  10.973  1.00 96.65           C  
+ATOM   5263  O   SER B 870      -9.298  -3.870  11.568  1.00 96.65           O  
+ATOM   5264  OG  SER B 870      -8.810  -7.433  10.453  1.00 96.65           O  
+ATOM   5265  N   CYS B 871     -10.688  -5.392  12.160  1.00 97.51           N  
+ATOM   5266  CA  CYS B 871     -11.865  -4.578  11.879  1.00 97.51           C  
+ATOM   5267  C   CYS B 871     -13.031  -4.975  12.776  1.00 97.51           C  
+ATOM   5268  CB  CYS B 871     -12.271  -4.711  10.411  1.00 97.51           C  
+ATOM   5269  O   CYS B 871     -13.076  -6.099  13.280  1.00 97.51           O  
+ATOM   5270  SG  CYS B 871     -12.533  -6.418   9.881  1.00 97.51           S  
+ATOM   5271  N   LEU B 872     -13.883  -4.075  13.066  1.00 97.47           N  
+ATOM   5272  CA  LEU B 872     -15.081  -4.312  13.864  1.00 97.47           C  
+ATOM   5273  C   LEU B 872     -16.214  -3.388  13.430  1.00 97.47           C  
+ATOM   5274  CB  LEU B 872     -14.783  -4.111  15.352  1.00 97.47           C  
+ATOM   5275  O   LEU B 872     -15.967  -2.294  12.919  1.00 97.47           O  
+ATOM   5276  CG  LEU B 872     -14.516  -2.674  15.801  1.00 97.47           C  
+ATOM   5277  CD1 LEU B 872     -15.818  -1.996  16.214  1.00 97.47           C  
+ATOM   5278  CD2 LEU B 872     -13.508  -2.650  16.946  1.00 97.47           C  
+ATOM   5279  N   GLY B 873     -17.517  -3.801  13.623  1.00 96.97           N  
+ATOM   5280  CA  GLY B 873     -18.691  -3.014  13.283  1.00 96.97           C  
+ATOM   5281  C   GLY B 873     -19.938  -3.450  14.030  1.00 96.97           C  
+ATOM   5282  O   GLY B 873     -20.058  -4.612  14.423  1.00 96.97           O  
+ATOM   5283  N   VAL B 874     -20.808  -2.457  14.286  1.00 97.13           N  
+ATOM   5284  CA  VAL B 874     -22.083  -2.705  14.950  1.00 97.13           C  
+ATOM   5285  C   VAL B 874     -23.226  -2.545  13.951  1.00 97.13           C  
+ATOM   5286  CB  VAL B 874     -22.289  -1.758  16.153  1.00 97.13           C  
+ATOM   5287  O   VAL B 874     -23.209  -1.634  13.120  1.00 97.13           O  
+ATOM   5288  CG1 VAL B 874     -23.645  -2.008  16.812  1.00 97.13           C  
+ATOM   5289  CG2 VAL B 874     -21.159  -1.929  17.167  1.00 97.13           C  
+ATOM   5290  N   THR B 875     -24.182  -3.511  13.899  1.00 95.78           N  
+ATOM   5291  CA  THR B 875     -25.317  -3.428  12.986  1.00 95.78           C  
+ATOM   5292  C   THR B 875     -26.151  -2.182  13.271  1.00 95.78           C  
+ATOM   5293  CB  THR B 875     -26.208  -4.680  13.087  1.00 95.78           C  
+ATOM   5294  O   THR B 875     -26.178  -1.692  14.401  1.00 95.78           O  
+ATOM   5295  CG2 THR B 875     -25.457  -5.928  12.634  1.00 95.78           C  
+ATOM   5296  OG1 THR B 875     -26.625  -4.854  14.447  1.00 95.78           O  
+ATOM   5297  N   ASP B 876     -26.858  -1.663  12.279  1.00 92.33           N  
+ATOM   5298  CA  ASP B 876     -27.645  -0.436  12.355  1.00 92.33           C  
+ATOM   5299  C   ASP B 876     -28.738  -0.550  13.416  1.00 92.33           C  
+ATOM   5300  CB  ASP B 876     -28.265  -0.111  10.994  1.00 92.33           C  
+ATOM   5301  O   ASP B 876     -29.134   0.451  14.016  1.00 92.33           O  
+ATOM   5302  CG  ASP B 876     -27.284   0.545  10.038  1.00 92.33           C  
+ATOM   5303  OD1 ASP B 876     -26.130   0.811  10.436  1.00 92.33           O  
+ATOM   5304  OD2 ASP B 876     -27.670   0.800   8.877  1.00 92.33           O  
+ATOM   5305  N   ASP B 877     -29.204  -1.804  13.597  1.00 94.09           N  
+ATOM   5306  CA  ASP B 877     -30.255  -1.997  14.591  1.00 94.09           C  
+ATOM   5307  C   ASP B 877     -29.663  -2.198  15.984  1.00 94.09           C  
+ATOM   5308  CB  ASP B 877     -31.136  -3.191  14.217  1.00 94.09           C  
+ATOM   5309  O   ASP B 877     -30.399  -2.350  16.961  1.00 94.09           O  
+ATOM   5310  CG  ASP B 877     -30.368  -4.500  14.162  1.00 94.09           C  
+ATOM   5311  OD1 ASP B 877     -29.152  -4.507  14.451  1.00 94.09           O  
+ATOM   5312  OD2 ASP B 877     -30.984  -5.534  13.823  1.00 94.09           O  
+ATOM   5313  N   GLY B 878     -28.285  -2.377  16.129  1.00 94.34           N  
+ATOM   5314  CA  GLY B 878     -27.572  -2.434  17.395  1.00 94.34           C  
+ATOM   5315  C   GLY B 878     -27.608  -3.807  18.039  1.00 94.34           C  
+ATOM   5316  O   GLY B 878     -27.233  -3.962  19.203  1.00 94.34           O  
+ATOM   5317  N   MET B 879     -27.998  -4.811  17.346  1.00 93.79           N  
+ATOM   5318  CA  MET B 879     -28.267  -6.127  17.918  1.00 93.79           C  
+ATOM   5319  C   MET B 879     -27.026  -7.012  17.856  1.00 93.79           C  
+ATOM   5320  CB  MET B 879     -29.429  -6.804  17.189  1.00 93.79           C  
+ATOM   5321  O   MET B 879     -26.928  -8.003  18.582  1.00 93.79           O  
+ATOM   5322  CG  MET B 879     -30.778  -6.153  17.450  1.00 93.79           C  
+ATOM   5323  SD  MET B 879     -31.239  -6.180  19.226  1.00 93.79           S  
+ATOM   5324  CE  MET B 879     -32.849  -5.345  19.151  1.00 93.79           C  
+ATOM   5325  N   ALA B 880     -26.055  -6.642  17.036  1.00 94.98           N  
+ATOM   5326  CA  ALA B 880     -24.898  -7.520  16.885  1.00 94.98           C  
+ATOM   5327  C   ALA B 880     -23.626  -6.714  16.635  1.00 94.98           C  
+ATOM   5328  CB  ALA B 880     -25.128  -8.512  15.748  1.00 94.98           C  
+ATOM   5329  O   ALA B 880     -23.679  -5.618  16.074  1.00 94.98           O  
+ATOM   5330  N   VAL B 881     -22.545  -7.271  17.097  1.00 97.14           N  
+ATOM   5331  CA  VAL B 881     -21.197  -6.787  16.820  1.00 97.14           C  
+ATOM   5332  C   VAL B 881     -20.438  -7.818  15.988  1.00 97.14           C  
+ATOM   5333  CB  VAL B 881     -20.425  -6.479  18.122  1.00 97.14           C  
+ATOM   5334  O   VAL B 881     -20.474  -9.014  16.288  1.00 97.14           O  
+ATOM   5335  CG1 VAL B 881     -19.017  -5.975  17.809  1.00 97.14           C  
+ATOM   5336  CG2 VAL B 881     -21.187  -5.458  18.965  1.00 97.14           C  
+ATOM   5337  N   ALA B 882     -19.814  -7.327  14.898  1.00 97.83           N  
+ATOM   5338  CA  ALA B 882     -18.962  -8.201  14.095  1.00 97.83           C  
+ATOM   5339  C   ALA B 882     -17.492  -7.817  14.238  1.00 97.83           C  
+ATOM   5340  CB  ALA B 882     -19.381  -8.151  12.628  1.00 97.83           C  
+ATOM   5341  O   ALA B 882     -17.148  -6.633  14.210  1.00 97.83           O  
+ATOM   5342  N   THR B 883     -16.645  -8.836  14.446  1.00 98.28           N  
+ATOM   5343  CA  THR B 883     -15.201  -8.634  14.457  1.00 98.28           C  
+ATOM   5344  C   THR B 883     -14.528  -9.482  13.381  1.00 98.28           C  
+ATOM   5345  CB  THR B 883     -14.600  -8.975  15.833  1.00 98.28           C  
+ATOM   5346  O   THR B 883     -14.898 -10.639  13.173  1.00 98.28           O  
+ATOM   5347  CG2 THR B 883     -15.187  -8.086  16.925  1.00 98.28           C  
+ATOM   5348  OG1 THR B 883     -14.881 -10.345  16.145  1.00 98.28           O  
+ATOM   5349  N   GLY B 884     -13.613  -8.870  12.614  1.00 97.92           N  
+ATOM   5350  CA  GLY B 884     -12.753  -9.553  11.662  1.00 97.92           C  
+ATOM   5351  C   GLY B 884     -11.308  -9.639  12.117  1.00 97.92           C  
+ATOM   5352  O   GLY B 884     -10.773  -8.685  12.685  1.00 97.92           O  
+ATOM   5353  N   SER B 885     -10.646 -10.752  11.786  1.00 97.95           N  
+ATOM   5354  CA  SER B 885      -9.326 -10.979  12.365  1.00 97.95           C  
+ATOM   5355  C   SER B 885      -8.360 -11.548  11.331  1.00 97.95           C  
+ATOM   5356  CB  SER B 885      -9.421 -11.927  13.561  1.00 97.95           C  
+ATOM   5357  O   SER B 885      -8.784 -12.091  10.309  1.00 97.95           O  
+ATOM   5358  OG  SER B 885      -8.130 -12.274  14.032  1.00 97.95           O  
+ATOM   5359  N   TRP B 886      -7.101 -11.448  11.645  1.00 96.28           N  
+ATOM   5360  CA  TRP B 886      -6.041 -12.037  10.833  1.00 96.28           C  
+ATOM   5361  C   TRP B 886      -6.022 -13.554  10.979  1.00 96.28           C  
+ATOM   5362  CB  TRP B 886      -4.678 -11.457  11.225  1.00 96.28           C  
+ATOM   5363  O   TRP B 886      -5.248 -14.240  10.307  1.00 96.28           O  
+ATOM   5364  CG  TRP B 886      -4.449 -10.057  10.739  1.00 96.28           C  
+ATOM   5365  CD1 TRP B 886      -5.375  -9.213  10.192  1.00 96.28           C  
+ATOM   5366  CD2 TRP B 886      -3.211  -9.341  10.752  1.00 96.28           C  
+ATOM   5367  CE2 TRP B 886      -3.461  -8.065  10.198  1.00 96.28           C  
+ATOM   5368  CE3 TRP B 886      -1.914  -9.653  11.180  1.00 96.28           C  
+ATOM   5369  NE1 TRP B 886      -4.787  -8.013   9.865  1.00 96.28           N  
+ATOM   5370  CH2 TRP B 886      -1.198  -7.433  10.487  1.00 96.28           C  
+ATOM   5371  CZ2 TRP B 886      -2.458  -7.102  10.061  1.00 96.28           C  
+ATOM   5372  CZ3 TRP B 886      -0.918  -8.692  11.043  1.00 96.28           C  
+ATOM   5373  N   ASP B 887      -6.867 -14.068  11.786  1.00 95.23           N  
+ATOM   5374  CA  ASP B 887      -7.017 -15.516  11.884  1.00 95.23           C  
+ATOM   5375  C   ASP B 887      -7.951 -16.046  10.798  1.00 95.23           C  
+ATOM   5376  CB  ASP B 887      -7.541 -15.909  13.266  1.00 95.23           C  
+ATOM   5377  O   ASP B 887      -8.286 -17.233  10.785  1.00 95.23           O  
+ATOM   5378  CG  ASP B 887      -8.936 -15.377  13.545  1.00 95.23           C  
+ATOM   5379  OD1 ASP B 887      -9.590 -14.862  12.612  1.00 95.23           O  
+ATOM   5380  OD2 ASP B 887      -9.384 -15.471  14.708  1.00 95.23           O  
+ATOM   5381  N   SER B 888      -8.419 -15.249   9.961  1.00 95.53           N  
+ATOM   5382  CA  SER B 888      -9.213 -15.527   8.769  1.00 95.53           C  
+ATOM   5383  C   SER B 888     -10.684 -15.726   9.118  1.00 95.53           C  
+ATOM   5384  CB  SER B 888      -8.680 -16.765   8.047  1.00 95.53           C  
+ATOM   5385  O   SER B 888     -11.455 -16.245   8.308  1.00 95.53           O  
+ATOM   5386  OG  SER B 888      -8.737 -17.903   8.890  1.00 95.53           O  
+ATOM   5387  N   PHE B 889     -11.074 -15.357  10.381  1.00 97.00           N  
+ATOM   5388  CA  PHE B 889     -12.456 -15.551  10.804  1.00 97.00           C  
+ATOM   5389  C   PHE B 889     -13.125 -14.213  11.095  1.00 97.00           C  
+ATOM   5390  CB  PHE B 889     -12.520 -16.450  12.042  1.00 97.00           C  
+ATOM   5391  O   PHE B 889     -12.467 -13.266  11.532  1.00 97.00           O  
+ATOM   5392  CG  PHE B 889     -11.980 -17.836  11.814  1.00 97.00           C  
+ATOM   5393  CD1 PHE B 889     -12.585 -18.691  10.900  1.00 97.00           C  
+ATOM   5394  CD2 PHE B 889     -10.867 -18.285  12.514  1.00 97.00           C  
+ATOM   5395  CE1 PHE B 889     -12.087 -19.975  10.687  1.00 97.00           C  
+ATOM   5396  CE2 PHE B 889     -10.365 -19.566  12.306  1.00 97.00           C  
+ATOM   5397  CZ  PHE B 889     -10.977 -20.410  11.393  1.00 97.00           C  
+ATOM   5398  N   LEU B 890     -14.454 -14.192  10.764  1.00 97.81           N  
+ATOM   5399  CA  LEU B 890     -15.343 -13.170  11.306  1.00 97.81           C  
+ATOM   5400  C   LEU B 890     -16.196 -13.736  12.436  1.00 97.81           C  
+ATOM   5401  CB  LEU B 890     -16.243 -12.604  10.205  1.00 97.81           C  
+ATOM   5402  O   LEU B 890     -16.715 -14.850  12.330  1.00 97.81           O  
+ATOM   5403  CG  LEU B 890     -15.559 -11.732   9.151  1.00 97.81           C  
+ATOM   5404  CD1 LEU B 890     -15.806 -12.296   7.756  1.00 97.81           C  
+ATOM   5405  CD2 LEU B 890     -16.052 -10.292   9.246  1.00 97.81           C  
+ATOM   5406  N   LYS B 891     -16.317 -12.993  13.459  1.00 97.58           N  
+ATOM   5407  CA  LYS B 891     -17.163 -13.428  14.566  1.00 97.58           C  
+ATOM   5408  C   LYS B 891     -18.308 -12.448  14.801  1.00 97.58           C  
+ATOM   5409  CB  LYS B 891     -16.337 -13.585  15.844  1.00 97.58           C  
+ATOM   5410  O   LYS B 891     -18.109 -11.232  14.766  1.00 97.58           O  
+ATOM   5411  CG  LYS B 891     -15.320 -14.716  15.789  1.00 97.58           C  
+ATOM   5412  CD  LYS B 891     -14.641 -14.923  17.136  1.00 97.58           C  
+ATOM   5413  CE  LYS B 891     -13.627 -16.058  17.084  1.00 97.58           C  
+ATOM   5414  NZ  LYS B 891     -14.156 -17.302  17.718  1.00 97.58           N  
+ATOM   5415  N   ILE B 892     -19.514 -13.041  15.014  1.00 97.37           N  
+ATOM   5416  CA  ILE B 892     -20.693 -12.254  15.359  1.00 97.37           C  
+ATOM   5417  C   ILE B 892     -20.994 -12.400  16.849  1.00 97.37           C  
+ATOM   5418  CB  ILE B 892     -21.920 -12.676  14.520  1.00 97.37           C  
+ATOM   5419  O   ILE B 892     -21.137 -13.517  17.353  1.00 97.37           O  
+ATOM   5420  CG1 ILE B 892     -21.591 -12.616  13.024  1.00 97.37           C  
+ATOM   5421  CG2 ILE B 892     -23.129 -11.796  14.851  1.00 97.37           C  
+ATOM   5422  CD1 ILE B 892     -21.231 -11.223  12.525  1.00 97.37           C  
+ATOM   5423  N   TRP B 893     -21.061 -11.179  17.548  1.00 96.10           N  
+ATOM   5424  CA  TRP B 893     -21.259 -11.156  18.993  1.00 96.10           C  
+ATOM   5425  C   TRP B 893     -22.643 -10.621  19.345  1.00 96.10           C  
+ATOM   5426  CB  TRP B 893     -20.181 -10.305  19.670  1.00 96.10           C  
+ATOM   5427  O   TRP B 893     -23.141  -9.697  18.697  1.00 96.10           O  
+ATOM   5428  CG  TRP B 893     -18.787 -10.608  19.209  1.00 96.10           C  
+ATOM   5429  CD1 TRP B 893     -18.182 -10.161  18.067  1.00 96.10           C  
+ATOM   5430  CD2 TRP B 893     -17.826 -11.429  19.879  1.00 96.10           C  
+ATOM   5431  CE2 TRP B 893     -16.657 -11.435  19.085  1.00 96.10           C  
+ATOM   5432  CE3 TRP B 893     -17.838 -12.160  21.074  1.00 96.10           C  
+ATOM   5433  NE1 TRP B 893     -16.900 -10.655  17.987  1.00 96.10           N  
+ATOM   5434  CH2 TRP B 893     -15.550 -12.852  20.624  1.00 96.10           C  
+ATOM   5435  CZ2 TRP B 893     -15.511 -12.146  19.450  1.00 96.10           C  
+ATOM   5436  CZ3 TRP B 893     -16.697 -12.866  21.435  1.00 96.10           C  
+ATOM   5437  N   ASN B 894     -23.395 -11.116  20.390  1.00 87.49           N  
+ATOM   5438  CA  ASN B 894     -24.644 -10.624  20.961  1.00 87.49           C  
+ATOM   5439  C   ASN B 894     -24.710 -10.875  22.465  1.00 87.49           C  
+ATOM   5440  CB  ASN B 894     -25.844 -11.266  20.263  1.00 87.49           C  
+ATOM   5441  O   ASN B 894     -23.990 -11.727  22.989  1.00 87.49           O  
+ATOM   5442  CG  ASN B 894     -25.909 -12.766  20.475  1.00 87.49           C  
+ATOM   5443  ND2 ASN B 894     -26.823 -13.425  19.772  1.00 87.49           N  
+ATOM   5444  OD1 ASN B 894     -25.145 -13.328  21.264  1.00 87.49           O  
diff --git a/modules/core/test/test_rigid_body_initial_reference_frame.py b/modules/core/test/test_rigid_body_initial_reference_frame.py
new file mode 100644
index 0000000000..65903b2486
--- /dev/null
+++ b/modules/core/test/test_rigid_body_initial_reference_frame.py
@@ -0,0 +1,124 @@
+import os
+import numpy as np
+
+import IMP
+import IMP.algebra
+import IMP.atom
+import IMP.core
+import IMP.test
+
+fmt = ", ".join(["%.3f"] * 7)
+
+class Tests(IMP.test.TestCase):
+    """Test the consistency of body centric initial reference frame
+    construction for rigid bodies"""
+
+    def make_binary_complex(self, conf_num=1):
+        pdb_file = os.path.abspath("input/1gp2/1gp2_AB_conf%d.pdb" % conf_num)
+        m = IMP.Model()
+        selector = IMP.atom.ATOMPDBSelector() & \
+                   IMP.atom.NonWaterNonHydrogenPDBSelector() & \
+                   IMP.atom.CAlphaPDBSelector()
+
+        root_hier = IMP.atom.read_pdb(pdb_file, m)
+        rbs = []
+        for chain_hier in root_hier.get_children():
+            calpha_hiers = IMP.core.get_leaves(chain_hier)
+
+            # construct reference frame places the origin at the center of mass
+            # of the rigid body, but keeps axes parallel to the lab reference
+            com = IMP.atom.CenterOfMass.setup_particle(IMP.Particle(m),
+                                                       calpha_hiers)
+            com_coord = IMP.core.XYZ(com).get_coordinates()
+            tr = IMP.algebra.Transformation3D(
+                IMP.algebra.get_identity_rotation_3d(), com_coord)
+            rf = IMP.algebra.ReferenceFrame3D(tr)
+
+            rb = IMP.core.RigidBody.setup_particle(IMP.Particle(m), rf)
+            for h in calpha_hiers:
+                rb.add_member(h.get_particle())
+            rbs.append(rb)
+        return m, root_hier, rbs
+
+    def _align_to_reference(self, rbs, rbs_ref, invert=False):
+        # get transformation that aligns the first chain of the given conf
+        # to the first chain of the reference conf
+        rf = rbs[0].get_reference_frame()
+        ps = [IMP.core.XYZ(p) for p in rbs[0].get_rigid_members()]
+
+        rf_ref = rbs_ref[0].get_reference_frame()
+        ps_ref = [IMP.core.XYZ(p) for p in rbs_ref[0].get_rigid_members()]
+
+        tr = IMP.atom.get_transformation_aligning_first_to_second(ps, ps_ref)
+        if invert:
+            tr = tr.get_inverse()
+
+        # apply this transformation to both chains of the given conformation
+        IMP.core.transform(rbs[0], tr)
+        IMP.core.transform(rbs[1], tr)
+
+    def _get_body_centric_reference_frame_params(self, rb):
+        ps = [IMP.core.XYZ(p) for p in rb.get_rigid_members()]
+        rf = IMP.core.get_initial_reference_frame(ps)
+        q = rf.get_transformation_to().get_rotation().get_quaternion()
+        v = rf.get_transformation_to().get_translation()
+        return (*v, *q)
+
+    def _test_conf_against_reference(self, rbs, rbs_ref):
+        # get reference frame params before alignment
+        params_before = [self._get_body_centric_reference_frame_params(rb)
+                        for rb in rbs]
+
+        # get reference frame params of the reference conformation
+        params_ref = [self._get_body_centric_reference_frame_params(rb)
+                      for rb in rbs_ref]
+
+        # align to reference conformation
+        self._align_to_reference(rbs, rbs_ref)
+
+        # get reference frame params after alignment
+        params_after = [self._get_body_centric_reference_frame_params(rb)
+                        for rb in rbs]
+
+        # restore the conformations
+        self._align_to_reference(rbs, rbs_ref, invert=True)
+
+        print("Rigid body 1:")
+        print("%15s" % "params_before: " + fmt % params_before[0])
+        print("%15s" % "params_ref: " + fmt % params_ref[0])
+        print("%15s" % "params_after: " + fmt % params_after[0])
+        print("--------------------------------------------------")
+        print("Rigid body 2:")
+        print("%15s" % "params_before: " + fmt % params_before[1])
+        print("%15s" % "params_ref: " + fmt % params_ref[1])
+        print("%15s" % "params_after: " + fmt % params_after[1])
+
+        # check that for rigid body 1, params are
+        # very close between ref and after. For the particular conformations
+        # used in this test, the parameters of reference and after alignment
+        # agreed to within 1%. However, they are reasonably close as can be
+        # seen from the printed log.
+        test = np.allclose(params_after[0], params_ref[0], atol=0.1)
+        self.assertTrue(test)
+
+    def test_initial_reference_frame(self):
+        """
+        Test consistency of body centric reference initial frames between
+        two conformations of the same rigid body, aligned with a common
+        reference
+        """
+        # create complexes from all (5) conformations
+        n_conf = 5
+        conf = [self.make_binary_complex(i+1) for i in range(n_conf)]
+
+        # treating each complex as reference
+        for i in range(n_conf):
+            rbs_ref = conf[i][-1]
+            # for each conformation
+            for j in range(n_conf):
+                print("\nReference conf = %d, conf = %d" % (i+1, j+1))
+                rbs = conf[j][-1]
+                self._test_conf_against_reference(rbs, rbs_ref)
+
+if __name__ == '__main__':
+    IMP.test.main()

From 64a6001e2f9151faa3911e6dd984f6c0a31c4782 Mon Sep 17 00:00:00 2001
From: tanmoy7989 <tanmoy.7989@gmail.com>
Date: Mon, 23 Aug 2021 14:26:03 -0700
Subject: [PATCH 179/250] principal axis of inertia for rigid body now points
 along Z direction since eigenvalues produced by Eigen::SelfAdjointSolver are
 arranged in increasing order

---
 modules/core/src/RigidBodyAnglePairScore.cpp | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/modules/core/src/RigidBodyAnglePairScore.cpp b/modules/core/src/RigidBodyAnglePairScore.cpp
index b13d08f98b..da73eccae4 100644
--- a/modules/core/src/RigidBodyAnglePairScore.cpp
+++ b/modules/core/src/RigidBodyAnglePairScore.cpp
@@ -27,9 +27,9 @@ Float RigidBodyAnglePairScore::evaluate_index(Model *m,
   IMP_USAGE_CHECK(RigidBody::get_is_setup(m, pi[1]),
                   "Particle is not a rigid body");
 
-  // principal axis of inertia is aligned to x axis when creating rigid body
-  algebra::Vector3D inertia=algebra::Vector3D(1.0,0.0,0.0);
-  algebra::Vector3D  origin=algebra::Vector3D(0.0,0.0,0.0);
+  // principal axis of inertia is aligned to z axis when creating rigid body
+  algebra::Vector3D inertia=algebra::Vector3D(0.0,0.0,1.0);
+  algebra::Vector3D  origin=algebra::Vector3D(0.0,0.0,1.0);
 
   // get the two references frames
   algebra::ReferenceFrame3D rf0 = RigidBody(m, pi[0]).get_reference_frame();

From 42eb15783d11ed7e7c2d121d580a10bee91386c4 Mon Sep 17 00:00:00 2001
From: tanmoy7989 <tanmoy.7989@gmail.com>
Date: Fri, 27 Aug 2021 00:20:33 -0700
Subject: [PATCH 180/250] decreased test runtime; fixed other tests from
 breaking

---
 modules/core/src/RigidBodyAnglePairScore.cpp  |    4 +-
 modules/core/src/rigid_bodies.cpp             |    8 +-
 .../core/test/input/1gp2/1gp2_AB_conf4.pdb    | 5444 -----------------
 .../core/test/input/1gp2/1gp2_AB_conf5.pdb    | 5444 -----------------
 ...test_rigid_body_initial_reference_frame.py |   31 +-
 5 files changed, 24 insertions(+), 10907 deletions(-)
 delete mode 100644 modules/core/test/input/1gp2/1gp2_AB_conf4.pdb
 delete mode 100644 modules/core/test/input/1gp2/1gp2_AB_conf5.pdb

diff --git a/modules/core/src/RigidBodyAnglePairScore.cpp b/modules/core/src/RigidBodyAnglePairScore.cpp
index da73eccae4..7f23c9d0c3 100644
--- a/modules/core/src/RigidBodyAnglePairScore.cpp
+++ b/modules/core/src/RigidBodyAnglePairScore.cpp
@@ -28,8 +28,8 @@ Float RigidBodyAnglePairScore::evaluate_index(Model *m,
                   "Particle is not a rigid body");
 
   // principal axis of inertia is aligned to z axis when creating rigid body
-  algebra::Vector3D inertia=algebra::Vector3D(0.0,0.0,1.0);
-  algebra::Vector3D  origin=algebra::Vector3D(0.0,0.0,1.0);
+  algebra::Vector3D inertia=algebra::Vector3D(1.0,0.0,0.0);
+  algebra::Vector3D  origin=algebra::Vector3D(0.0,0.0,0.0);
 
   // get the two references frames
   algebra::ReferenceFrame3D rf0 = RigidBody(m, pi[0]).get_reference_frame();
diff --git a/modules/core/src/rigid_bodies.cpp b/modules/core/src/rigid_bodies.cpp
index 55a5feda72..8c8522857d 100644
--- a/modules/core/src/rigid_bodies.cpp
+++ b/modules/core/src/rigid_bodies.cpp
@@ -1019,7 +1019,13 @@ algebra::ReferenceFrame3D get_initial_reference_frame(
   eigenvalues (and correspondingly, the eigenvectors) in increasing order.
   */  
   Eigen::SelfAdjointEigenSolver<Eigen::Matrix3d> eig(I);
-  Eigen::Matrix3d rm = eig.eigenvectors();
+  Eigen::Matrix3d evecs = eig.eigenvectors();
+  Eigen::Matrix3d rm;
+  rm.resizeLike(evecs);
+  for (int i=0; i<3; i++) {
+    rm.col(i) = evecs.col(2-i);
+  }
+  
   if (rm.determinant() < 0) {
     rm.array() *= -1.0;
   }
diff --git a/modules/core/test/input/1gp2/1gp2_AB_conf4.pdb b/modules/core/test/input/1gp2/1gp2_AB_conf4.pdb
deleted file mode 100644
index a4e074cfdf..0000000000
--- a/modules/core/test/input/1gp2/1gp2_AB_conf4.pdb
+++ /dev/null
@@ -1,5444 +0,0 @@
-ATOM      1  N   MET A   1      50.646  17.785  -4.186  1.00 43.79           N  
-ATOM      2  CA  MET A   1      49.988  18.456  -5.303  1.00 43.79           C  
-ATOM      3  C   MET A   1      48.497  18.629  -5.032  1.00 43.79           C  
-ATOM      4  CB  MET A   1      50.197  17.672  -6.600  1.00 43.79           C  
-ATOM      5  O   MET A   1      47.776  17.646  -4.856  1.00 43.79           O  
-ATOM      6  CG  MET A   1      51.510  17.981  -7.299  1.00 43.79           C  
-ATOM      7  SD  MET A   1      51.391  17.822  -9.123  1.00 43.79           S  
-ATOM      8  CE  MET A   1      52.133  16.183  -9.351  1.00 43.79           C  
-ATOM      9  N   GLY A   2      48.134  19.491  -4.060  1.00 50.46           N  
-ATOM     10  CA  GLY A   2      46.947  20.065  -3.445  1.00 50.46           C  
-ATOM     11  C   GLY A   2      45.765  20.146  -4.391  1.00 50.46           C  
-ATOM     12  O   GLY A   2      45.872  20.717  -5.479  1.00 50.46           O  
-ATOM     13  N   CYS A   3      45.246  19.080  -5.040  1.00 50.08           N  
-ATOM     14  CA  CYS A   3      44.041  18.987  -5.858  1.00 50.08           C  
-ATOM     15  C   CYS A   3      42.982  19.974  -5.383  1.00 50.08           C  
-ATOM     16  CB  CYS A   3      43.479  17.567  -5.825  1.00 50.08           C  
-ATOM     17  O   CYS A   3      42.476  19.859  -4.265  1.00 50.08           O  
-ATOM     18  SG  CYS A   3      44.214  16.464  -7.052  1.00 50.08           S  
-ATOM     19  N   THR A   4      43.169  21.277  -5.575  1.00 60.55           N  
-ATOM     20  CA  THR A   4      42.155  22.313  -5.411  1.00 60.55           C  
-ATOM     21  C   THR A   4      40.866  21.928  -6.131  1.00 60.55           C  
-ATOM     22  CB  THR A   4      42.654  23.671  -5.938  1.00 60.55           C  
-ATOM     23  O   THR A   4      40.904  21.420  -7.253  1.00 60.55           O  
-ATOM     24  CG2 THR A   4      43.814  24.195  -5.097  1.00 60.55           C  
-ATOM     25  OG1 THR A   4      43.092  23.519  -7.294  1.00 60.55           O  
-ATOM     26  N   LEU A   5      39.846  21.397  -5.451  1.00 62.38           N  
-ATOM     27  CA  LEU A   5      38.476  21.202  -5.910  1.00 62.38           C  
-ATOM     28  C   LEU A   5      37.998  22.401  -6.722  1.00 62.38           C  
-ATOM     29  CB  LEU A   5      37.540  20.970  -4.721  1.00 62.38           C  
-ATOM     30  O   LEU A   5      38.384  23.539  -6.442  1.00 62.38           O  
-ATOM     31  CG  LEU A   5      37.626  19.600  -4.047  1.00 62.38           C  
-ATOM     32  CD1 LEU A   5      37.117  19.682  -2.612  1.00 62.38           C  
-ATOM     33  CD2 LEU A   5      36.840  18.562  -4.841  1.00 62.38           C  
-ATOM     34  N   SER A   6      37.523  22.209  -7.914  1.00 77.08           N  
-ATOM     35  CA  SER A   6      36.868  23.235  -8.718  1.00 77.08           C  
-ATOM     36  C   SER A   6      35.768  23.937  -7.929  1.00 77.08           C  
-ATOM     37  CB  SER A   6      36.283  22.626  -9.992  1.00 77.08           C  
-ATOM     38  O   SER A   6      35.316  23.432  -6.899  1.00 77.08           O  
-ATOM     39  OG  SER A   6      35.106  21.891  -9.704  1.00 77.08           O  
-ATOM     40  N   ALA A   7      35.490  25.230  -8.171  1.00 79.88           N  
-ATOM     41  CA  ALA A   7      34.426  26.018  -7.555  1.00 79.88           C  
-ATOM     42  C   ALA A   7      33.105  25.255  -7.560  1.00 79.88           C  
-ATOM     43  CB  ALA A   7      34.268  27.354  -8.276  1.00 79.88           C  
-ATOM     44  O   ALA A   7      32.357  25.288  -6.579  1.00 79.88           O  
-ATOM     45  N   GLU A   8      32.852  24.489  -8.643  1.00 75.19           N  
-ATOM     46  CA  GLU A   8      31.627  23.707  -8.779  1.00 75.19           C  
-ATOM     47  C   GLU A   8      31.610  22.534  -7.803  1.00 75.19           C  
-ATOM     48  CB  GLU A   8      31.469  23.199 -10.215  1.00 75.19           C  
-ATOM     49  O   GLU A   8      30.582  22.247  -7.187  1.00 75.19           O  
-ATOM     50  CG  GLU A   8      30.954  24.252 -11.186  1.00 75.19           C  
-ATOM     51  CD  GLU A   8      30.880  23.758 -12.622  1.00 75.19           C  
-ATOM     52  OE1 GLU A   8      30.544  24.559 -13.523  1.00 75.19           O  
-ATOM     53  OE2 GLU A   8      31.159  22.559 -12.848  1.00 75.19           O  
-ATOM     54  N   ASP A   9      32.731  21.886  -7.622  1.00 81.40           N  
-ATOM     55  CA  ASP A   9      32.863  20.746  -6.721  1.00 81.40           C  
-ATOM     56  C   ASP A   9      32.733  21.180  -5.263  1.00 81.40           C  
-ATOM     57  CB  ASP A   9      34.201  20.038  -6.942  1.00 81.40           C  
-ATOM     58  O   ASP A   9      32.115  20.484  -4.455  1.00 81.40           O  
-ATOM     59  CG  ASP A   9      34.239  19.228  -8.226  1.00 81.40           C  
-ATOM     60  OD1 ASP A   9      33.165  18.933  -8.792  1.00 81.40           O  
-ATOM     61  OD2 ASP A   9      35.353  18.879  -8.673  1.00 81.40           O  
-ATOM     62  N   LYS A  10      33.255  22.357  -4.973  1.00 85.60           N  
-ATOM     63  CA  LYS A  10      33.154  22.899  -3.620  1.00 85.60           C  
-ATOM     64  C   LYS A  10      31.708  23.235  -3.268  1.00 85.60           C  
-ATOM     65  CB  LYS A  10      34.032  24.143  -3.474  1.00 85.60           C  
-ATOM     66  O   LYS A  10      31.261  22.979  -2.149  1.00 85.60           O  
-ATOM     67  CG  LYS A  10      35.516  23.840  -3.329  1.00 85.60           C  
-ATOM     68  CD  LYS A  10      36.326  25.109  -3.100  1.00 85.60           C  
-ATOM     69  CE  LYS A  10      37.820  24.818  -3.046  1.00 85.60           C  
-ATOM     70  NZ  LYS A  10      38.621  26.066  -2.868  1.00 85.60           N  
-ATOM     71  N   ALA A  11      30.982  23.814  -4.255  1.00 85.23           N  
-ATOM     72  CA  ALA A  11      29.576  24.158  -4.062  1.00 85.23           C  
-ATOM     73  C   ALA A  11      28.731  22.908  -3.834  1.00 85.23           C  
-ATOM     74  CB  ALA A  11      29.049  24.941  -5.262  1.00 85.23           C  
-ATOM     75  O   ALA A  11      27.831  22.904  -2.992  1.00 85.23           O  
-ATOM     76  N   ALA A  12      29.070  21.820  -4.541  1.00 85.18           N  
-ATOM     77  CA  ALA A  12      28.352  20.554  -4.421  1.00 85.18           C  
-ATOM     78  C   ALA A  12      28.556  19.936  -3.041  1.00 85.18           C  
-ATOM     79  CB  ALA A  12      28.802  19.582  -5.509  1.00 85.18           C  
-ATOM     80  O   ALA A  12      27.610  19.428  -2.435  1.00 85.18           O  
-ATOM     81  N   VAL A  13      29.741  19.961  -2.573  1.00 88.08           N  
-ATOM     82  CA  VAL A  13      30.076  19.428  -1.257  1.00 88.08           C  
-ATOM     83  C   VAL A  13      29.363  20.235  -0.175  1.00 88.08           C  
-ATOM     84  CB  VAL A  13      31.602  19.439  -1.012  1.00 88.08           C  
-ATOM     85  O   VAL A  13      28.824  19.667   0.778  1.00 88.08           O  
-ATOM     86  CG1 VAL A  13      31.919  19.069   0.436  1.00 88.08           C  
-ATOM     87  CG2 VAL A  13      32.304  18.484  -1.976  1.00 88.08           C  
-ATOM     88  N   GLU A  14      29.365  21.583  -0.298  1.00 88.86           N  
-ATOM     89  CA  GLU A  14      28.698  22.450   0.669  1.00 88.86           C  
-ATOM     90  C   GLU A  14      27.194  22.192   0.696  1.00 88.86           C  
-ATOM     91  CB  GLU A  14      28.973  23.922   0.351  1.00 88.86           C  
-ATOM     92  O   GLU A  14      26.583  22.160   1.766  1.00 88.86           O  
-ATOM     93  CG  GLU A  14      30.352  24.397   0.786  1.00 88.86           C  
-ATOM     94  CD  GLU A  14      30.588  25.875   0.522  1.00 88.86           C  
-ATOM     95  OE1 GLU A  14      31.666  26.394   0.892  1.00 88.86           O  
-ATOM     96  OE2 GLU A  14      29.688  26.521  -0.060  1.00 88.86           O  
-ATOM     97  N   ARG A  15      26.684  22.027  -0.492  1.00 87.74           N  
-ATOM     98  CA  ARG A  15      25.265  21.698  -0.586  1.00 87.74           C  
-ATOM     99  C   ARG A  15      24.961  20.380   0.118  1.00 87.74           C  
-ATOM    100  CB  ARG A  15      24.826  21.624  -2.050  1.00 87.74           C  
-ATOM    101  O   ARG A  15      23.968  20.271   0.841  1.00 87.74           O  
-ATOM    102  CG  ARG A  15      23.319  21.547  -2.237  1.00 87.74           C  
-ATOM    103  CD  ARG A  15      22.936  21.493  -3.710  1.00 87.74           C  
-ATOM    104  NE  ARG A  15      23.622  22.524  -4.483  1.00 87.74           N  
-ATOM    105  NH1 ARG A  15      22.159  22.448  -6.270  1.00 87.74           N  
-ATOM    106  NH2 ARG A  15      23.935  23.897  -6.297  1.00 87.74           N  
-ATOM    107  CZ  ARG A  15      23.237  22.954  -5.682  1.00 87.74           C  
-ATOM    108  N   SER A  16      25.745  19.388  -0.151  1.00 89.93           N  
-ATOM    109  CA  SER A  16      25.584  18.073   0.461  1.00 89.93           C  
-ATOM    110  C   SER A  16      25.694  18.152   1.980  1.00 89.93           C  
-ATOM    111  CB  SER A  16      26.628  17.097  -0.083  1.00 89.93           C  
-ATOM    112  O   SER A  16      24.929  17.504   2.698  1.00 89.93           O  
-ATOM    113  OG  SER A  16      26.438  15.802   0.462  1.00 89.93           O  
-ATOM    114  N   LYS A  17      26.603  18.925   2.514  1.00 90.62           N  
-ATOM    115  CA  LYS A  17      26.760  19.108   3.954  1.00 90.62           C  
-ATOM    116  C   LYS A  17      25.523  19.761   4.564  1.00 90.62           C  
-ATOM    117  CB  LYS A  17      28.000  19.951   4.257  1.00 90.62           C  
-ATOM    118  O   LYS A  17      25.104  19.401   5.666  1.00 90.62           O  
-ATOM    119  CG  LYS A  17      29.313  19.195   4.114  1.00 90.62           C  
-ATOM    120  CD  LYS A  17      30.502  20.061   4.506  1.00 90.62           C  
-ATOM    121  CE  LYS A  17      31.820  19.321   4.321  1.00 90.62           C  
-ATOM    122  NZ  LYS A  17      32.993  20.192   4.628  1.00 90.62           N  
-ATOM    123  N   MET A  18      25.013  20.760   3.835  1.00 89.28           N  
-ATOM    124  CA  MET A  18      23.792  21.417   4.291  1.00 89.28           C  
-ATOM    125  C   MET A  18      22.640  20.422   4.384  1.00 89.28           C  
-ATOM    126  CB  MET A  18      23.417  22.566   3.353  1.00 89.28           C  
-ATOM    127  O   MET A  18      21.877  20.438   5.351  1.00 89.28           O  
-ATOM    128  CG  MET A  18      22.294  23.445   3.879  1.00 89.28           C  
-ATOM    129  SD  MET A  18      21.956  24.881   2.788  1.00 89.28           S  
-ATOM    130  CE  MET A  18      21.094  24.051   1.425  1.00 89.28           C  
-ATOM    131  N   ILE A  19      22.546  19.547   3.410  1.00 88.50           N  
-ATOM    132  CA  ILE A  19      21.513  18.518   3.384  1.00 88.50           C  
-ATOM    133  C   ILE A  19      21.696  17.573   4.569  1.00 88.50           C  
-ATOM    134  CB  ILE A  19      21.536  17.726   2.058  1.00 88.50           C  
-ATOM    135  O   ILE A  19      20.724  17.204   5.233  1.00 88.50           O  
-ATOM    136  CG1 ILE A  19      21.133  18.631   0.888  1.00 88.50           C  
-ATOM    137  CG2 ILE A  19      20.621  16.502   2.144  1.00 88.50           C  
-ATOM    138  CD1 ILE A  19      21.287  17.981  -0.480  1.00 88.50           C  
-ATOM    139  N   ASP A  20      22.888  17.248   4.837  1.00 89.81           N  
-ATOM    140  CA  ASP A  20      23.188  16.378   5.970  1.00 89.81           C  
-ATOM    141  C   ASP A  20      22.749  17.018   7.285  1.00 89.81           C  
-ATOM    142  CB  ASP A  20      24.682  16.052   6.016  1.00 89.81           C  
-ATOM    143  O   ASP A  20      22.206  16.341   8.160  1.00 89.81           O  
-ATOM    144  CG  ASP A  20      25.078  14.949   5.050  1.00 89.81           C  
-ATOM    145  OD1 ASP A  20      24.214  14.129   4.673  1.00 89.81           O  
-ATOM    146  OD2 ASP A  20      26.266  14.897   4.666  1.00 89.81           O  
-ATOM    147  N   ARG A  21      23.046  18.283   7.417  1.00 88.67           N  
-ATOM    148  CA  ARG A  21      22.644  19.014   8.615  1.00 88.67           C  
-ATOM    149  C   ARG A  21      21.127  19.012   8.774  1.00 88.67           C  
-ATOM    150  CB  ARG A  21      23.164  20.452   8.567  1.00 88.67           C  
-ATOM    151  O   ARG A  21      20.613  18.762   9.866  1.00 88.67           O  
-ATOM    152  CG  ARG A  21      22.960  21.224   9.861  1.00 88.67           C  
-ATOM    153  CD  ARG A  21      23.515  22.639   9.767  1.00 88.67           C  
-ATOM    154  NE  ARG A  21      22.670  23.597  10.475  1.00 88.67           N  
-ATOM    155  NH1 ARG A  21      23.926  25.447   9.893  1.00 88.67           N  
-ATOM    156  NH2 ARG A  21      22.053  25.689  11.192  1.00 88.67           N  
-ATOM    157  CZ  ARG A  21      22.885  24.909  10.519  1.00 88.67           C  
-ATOM    158  N   ASN A  22      20.459  19.224   7.640  1.00 86.57           N  
-ATOM    159  CA  ASN A  22      19.000  19.223   7.665  1.00 86.57           C  
-ATOM    160  C   ASN A  22      18.447  17.850   8.035  1.00 86.57           C  
-ATOM    161  CB  ASN A  22      18.439  19.675   6.315  1.00 86.57           C  
-ATOM    162  O   ASN A  22      17.482  17.749   8.795  1.00 86.57           O  
-ATOM    163  CG  ASN A  22      18.598  21.165   6.086  1.00 86.57           C  
-ATOM    164  ND2 ASN A  22      18.447  21.592   4.838  1.00 86.57           N  
-ATOM    165  OD1 ASN A  22      18.856  21.926   7.022  1.00 86.57           O  
-ATOM    166  N   LEU A  23      19.068  16.836   7.464  1.00 85.47           N  
-ATOM    167  CA  LEU A  23      18.643  15.469   7.747  1.00 85.47           C  
-ATOM    168  C   LEU A  23      18.847  15.131   9.220  1.00 85.47           C  
-ATOM    169  CB  LEU A  23      19.414  14.477   6.872  1.00 85.47           C  
-ATOM    170  O   LEU A  23      18.006  14.468   9.831  1.00 85.47           O  
-ATOM    171  CG  LEU A  23      19.069  14.477   5.382  1.00 85.47           C  
-ATOM    172  CD1 LEU A  23      19.998  13.535   4.623  1.00 85.47           C  
-ATOM    173  CD2 LEU A  23      17.611  14.083   5.171  1.00 85.47           C  
-ATOM    174  N   ARG A  24      19.935  15.598   9.741  1.00 83.76           N  
-ATOM    175  CA  ARG A  24      20.232  15.373  11.152  1.00 83.76           C  
-ATOM    176  C   ARG A  24      19.212  16.073  12.044  1.00 83.76           C  
-ATOM    177  CB  ARG A  24      21.643  15.858  11.490  1.00 83.76           C  
-ATOM    178  O   ARG A  24      18.729  15.492  13.018  1.00 83.76           O  
-ATOM    179  CG  ARG A  24      22.105  15.485  12.889  1.00 83.76           C  
-ATOM    180  CD  ARG A  24      23.529  15.951  13.157  1.00 83.76           C  
-ATOM    181  NE  ARG A  24      23.936  15.679  14.532  1.00 83.76           N  
-ATOM    182  NH1 ARG A  24      26.103  16.431  14.259  1.00 83.76           N  
-ATOM    183  NH2 ARG A  24      25.412  15.628  16.291  1.00 83.76           N  
-ATOM    184  CZ  ARG A  24      25.150  15.913  15.024  1.00 83.76           C  
-ATOM    185  N   GLU A  25      18.927  17.343  11.722  1.00 82.92           N  
-ATOM    186  CA  GLU A  25      17.918  18.094  12.463  1.00 82.92           C  
-ATOM    187  C   GLU A  25      16.560  17.401  12.403  1.00 82.92           C  
-ATOM    188  CB  GLU A  25      17.805  19.522  11.923  1.00 82.92           C  
-ATOM    189  O   GLU A  25      15.861  17.304  13.414  1.00 82.92           O  
-ATOM    190  CG  GLU A  25      18.987  20.411  12.281  1.00 82.92           C  
-ATOM    191  CD  GLU A  25      18.899  21.800  11.671  1.00 82.92           C  
-ATOM    192  OE1 GLU A  25      19.827  22.615  11.879  1.00 82.92           O  
-ATOM    193  OE2 GLU A  25      17.894  22.078  10.979  1.00 82.92           O  
-ATOM    194  N   ASP A  26      16.258  16.913  11.171  1.00 78.62           N  
-ATOM    195  CA  ASP A  26      15.006  16.184  10.999  1.00 78.62           C  
-ATOM    196  C   ASP A  26      15.003  14.896  11.819  1.00 78.62           C  
-ATOM    197  CB  ASP A  26      14.768  15.866   9.521  1.00 78.62           C  
-ATOM    198  O   ASP A  26      13.972  14.510  12.375  1.00 78.62           O  
-ATOM    199  CG  ASP A  26      14.378  17.088   8.707  1.00 78.62           C  
-ATOM    200  OD1 ASP A  26      14.083  18.147   9.301  1.00 78.62           O  
-ATOM    201  OD2 ASP A  26      14.362  16.989   7.461  1.00 78.62           O  
-ATOM    202  N   GLY A  27      16.150  14.298  11.814  1.00 74.51           N  
-ATOM    203  CA  GLY A  27      16.295  13.091  12.611  1.00 74.51           C  
-ATOM    204  C   GLY A  27      16.101  13.330  14.097  1.00 74.51           C  
-ATOM    205  O   GLY A  27      15.447  12.538  14.778  1.00 74.51           O  
-ATOM    206  N   GLU A  28      16.641  14.427  14.609  1.00 74.05           N  
-ATOM    207  CA  GLU A  28      16.479  14.790  16.014  1.00 74.05           C  
-ATOM    208  C   GLU A  28      15.021  15.106  16.337  1.00 74.05           C  
-ATOM    209  CB  GLU A  28      17.367  15.986  16.366  1.00 74.05           C  
-ATOM    210  O   GLU A  28      14.516  14.719  17.392  1.00 74.05           O  
-ATOM    211  CG  GLU A  28      18.852  15.658  16.410  1.00 74.05           C  
-ATOM    212  CD  GLU A  28      19.729  16.876  16.649  1.00 74.05           C  
-ATOM    213  OE1 GLU A  28      20.966  16.720  16.766  1.00 74.05           O  
-ATOM    214  OE2 GLU A  28      19.175  17.996  16.721  1.00 74.05           O  
-ATOM    215  N   LYS A  29      14.425  15.820  15.390  1.00 73.02           N  
-ATOM    216  CA  LYS A  29      13.005  16.119  15.555  1.00 73.02           C  
-ATOM    217  C   LYS A  29      12.173  14.840  15.575  1.00 73.02           C  
-ATOM    218  CB  LYS A  29      12.517  17.044  14.439  1.00 73.02           C  
-ATOM    219  O   LYS A  29      11.247  14.708  16.378  1.00 73.02           O  
-ATOM    220  CG  LYS A  29      12.922  18.499  14.620  1.00 73.02           C  
-ATOM    221  CD  LYS A  29      12.342  19.382  13.522  1.00 73.02           C  
-ATOM    222  CE  LYS A  29      12.846  20.814  13.631  1.00 73.02           C  
-ATOM    223  NZ  LYS A  29      12.287  21.682  12.551  1.00 73.02           N  
-ATOM    224  N   ALA A  30      12.561  13.927  14.653  1.00 70.67           N  
-ATOM    225  CA  ALA A  30      11.855  12.652  14.566  1.00 70.67           C  
-ATOM    226  C   ALA A  30      12.026  11.841  15.847  1.00 70.67           C  
-ATOM    227  CB  ALA A  30      12.349  11.851  13.363  1.00 70.67           C  
-ATOM    228  O   ALA A  30      11.114  11.120  16.259  1.00 70.67           O  
-ATOM    229  N   ALA A  31      13.182  11.996  16.453  1.00 68.60           N  
-ATOM    230  CA  ALA A  31      13.485  11.267  17.682  1.00 68.60           C  
-ATOM    231  C   ALA A  31      12.622  11.761  18.840  1.00 68.60           C  
-ATOM    232  CB  ALA A  31      14.965  11.403  18.030  1.00 68.60           C  
-ATOM    233  O   ALA A  31      12.349  11.013  19.781  1.00 68.60           O  
-ATOM    234  N   ARG A  32      12.173  13.062  18.703  1.00 73.22           N  
-ATOM    235  CA  ARG A  32      11.355  13.626  19.772  1.00 73.22           C  
-ATOM    236  C   ARG A  32       9.876  13.336  19.541  1.00 73.22           C  
-ATOM    237  CB  ARG A  32      11.581  15.136  19.883  1.00 73.22           C  
-ATOM    238  O   ARG A  32       9.041  13.615  20.404  1.00 73.22           O  
-ATOM    239  CG  ARG A  32      12.929  15.514  20.477  1.00 73.22           C  
-ATOM    240  CD  ARG A  32      13.082  17.023  20.613  1.00 73.22           C  
-ATOM    241  NE  ARG A  32      14.391  17.386  21.146  1.00 73.22           N  
-ATOM    242  NH1 ARG A  32      14.083  19.664  20.914  1.00 73.22           N  
-ATOM    243  NH2 ARG A  32      16.046  18.849  21.774  1.00 73.22           N  
-ATOM    244  CZ  ARG A  32      14.837  18.632  21.277  1.00 73.22           C  
-ATOM    245  N   GLU A  33       9.657  12.680  18.375  1.00 81.12           N  
-ATOM    246  CA  GLU A  33       8.283  12.412  17.964  1.00 81.12           C  
-ATOM    247  C   GLU A  33       7.762  11.120  18.587  1.00 81.12           C  
-ATOM    248  CB  GLU A  33       8.183  12.338  16.438  1.00 81.12           C  
-ATOM    249  O   GLU A  33       8.504  10.143  18.714  1.00 81.12           O  
-ATOM    250  CG  GLU A  33       8.104  13.698  15.760  1.00 81.12           C  
-ATOM    251  CD  GLU A  33       7.942  13.607  14.251  1.00 81.12           C  
-ATOM    252  OE1 GLU A  33       7.936  14.662  13.576  1.00 81.12           O  
-ATOM    253  OE2 GLU A  33       7.820  12.472  13.738  1.00 81.12           O  
-ATOM    254  N   VAL A  34       6.504  11.100  19.057  1.00 86.53           N  
-ATOM    255  CA  VAL A  34       5.836   9.919  19.592  1.00 86.53           C  
-ATOM    256  C   VAL A  34       5.021   9.243  18.492  1.00 86.53           C  
-ATOM    257  CB  VAL A  34       4.924  10.275  20.788  1.00 86.53           C  
-ATOM    258  O   VAL A  34       4.084   9.835  17.952  1.00 86.53           O  
-ATOM    259  CG1 VAL A  34       4.225   9.027  21.324  1.00 86.53           C  
-ATOM    260  CG2 VAL A  34       5.733  10.954  21.891  1.00 86.53           C  
-ATOM    261  N   LYS A  35       5.477   8.037  18.168  1.00 89.33           N  
-ATOM    262  CA  LYS A  35       4.794   7.276  17.126  1.00 89.33           C  
-ATOM    263  C   LYS A  35       3.770   6.317  17.727  1.00 89.33           C  
-ATOM    264  CB  LYS A  35       5.803   6.500  16.278  1.00 89.33           C  
-ATOM    265  O   LYS A  35       4.130   5.407  18.477  1.00 89.33           O  
-ATOM    266  CG  LYS A  35       6.691   7.382  15.412  1.00 89.33           C  
-ATOM    267  CD  LYS A  35       7.596   6.551  14.511  1.00 89.33           C  
-ATOM    268  CE  LYS A  35       8.508   7.431  13.668  1.00 89.33           C  
-ATOM    269  NZ  LYS A  35       9.391   6.621  12.777  1.00 89.33           N  
-ATOM    270  N   LEU A  36       2.454   6.569  17.379  1.00 92.40           N  
-ATOM    271  CA  LEU A  36       1.366   5.720  17.852  1.00 92.40           C  
-ATOM    272  C   LEU A  36       0.833   4.841  16.725  1.00 92.40           C  
-ATOM    273  CB  LEU A  36       0.233   6.573  18.429  1.00 92.40           C  
-ATOM    274  O   LEU A  36       0.487   5.342  15.653  1.00 92.40           O  
-ATOM    275  CG  LEU A  36       0.593   7.462  19.620  1.00 92.40           C  
-ATOM    276  CD1 LEU A  36      -0.607   8.309  20.032  1.00 92.40           C  
-ATOM    277  CD2 LEU A  36       1.084   6.617  20.791  1.00 92.40           C  
-ATOM    278  N   LEU A  37       0.843   3.585  16.969  1.00 94.90           N  
-ATOM    279  CA  LEU A  37       0.348   2.633  15.981  1.00 94.90           C  
-ATOM    280  C   LEU A  37      -0.979   2.027  16.427  1.00 94.90           C  
-ATOM    281  CB  LEU A  37       1.375   1.522  15.745  1.00 94.90           C  
-ATOM    282  O   LEU A  37      -1.064   1.432  17.504  1.00 94.90           O  
-ATOM    283  CG  LEU A  37       0.996   0.455  14.717  1.00 94.90           C  
-ATOM    284  CD1 LEU A  37       0.784   1.090  13.347  1.00 94.90           C  
-ATOM    285  CD2 LEU A  37       2.066  -0.628  14.651  1.00 94.90           C  
-ATOM    286  N   LEU A  38      -2.059   2.241  15.554  1.00 95.87           N  
-ATOM    287  CA  LEU A  38      -3.370   1.674  15.846  1.00 95.87           C  
-ATOM    288  C   LEU A  38      -3.552   0.334  15.142  1.00 95.87           C  
-ATOM    289  CB  LEU A  38      -4.479   2.641  15.424  1.00 95.87           C  
-ATOM    290  O   LEU A  38      -3.469   0.257  13.914  1.00 95.87           O  
-ATOM    291  CG  LEU A  38      -4.590   3.938  16.226  1.00 95.87           C  
-ATOM    292  CD1 LEU A  38      -5.148   5.056  15.352  1.00 95.87           C  
-ATOM    293  CD2 LEU A  38      -5.461   3.731  17.460  1.00 95.87           C  
-ATOM    294  N   LEU A  39      -3.737  -0.678  15.971  1.00 96.46           N  
-ATOM    295  CA  LEU A  39      -3.918  -2.020  15.428  1.00 96.46           C  
-ATOM    296  C   LEU A  39      -5.217  -2.639  15.932  1.00 96.46           C  
-ATOM    297  CB  LEU A  39      -2.733  -2.914  15.804  1.00 96.46           C  
-ATOM    298  O   LEU A  39      -5.775  -2.191  16.936  1.00 96.46           O  
-ATOM    299  CG  LEU A  39      -1.379  -2.534  15.203  1.00 96.46           C  
-ATOM    300  CD1 LEU A  39      -0.268  -3.367  15.831  1.00 96.46           C  
-ATOM    301  CD2 LEU A  39      -1.397  -2.712  13.688  1.00 96.46           C  
-ATOM    302  N   GLY A  40      -5.766  -3.585  15.252  1.00 95.93           N  
-ATOM    303  CA  GLY A  40      -6.958  -4.327  15.632  1.00 95.93           C  
-ATOM    304  C   GLY A  40      -7.684  -4.936  14.447  1.00 95.93           C  
-ATOM    305  O   GLY A  40      -7.324  -4.684  13.295  1.00 95.93           O  
-ATOM    306  N   ALA A  41      -8.584  -5.756  14.780  1.00 93.12           N  
-ATOM    307  CA  ALA A  41      -9.401  -6.373  13.738  1.00 93.12           C  
-ATOM    308  C   ALA A  41     -10.252  -5.331  13.019  1.00 93.12           C  
-ATOM    309  CB  ALA A  41     -10.289  -7.463  14.333  1.00 93.12           C  
-ATOM    310  O   ALA A  41     -10.397  -4.203  13.495  1.00 93.12           O  
-ATOM    311  N   GLY A  42     -10.663  -5.692  11.794  1.00 90.06           N  
-ATOM    312  CA  GLY A  42     -11.560  -4.791  11.088  1.00 90.06           C  
-ATOM    313  C   GLY A  42     -12.788  -4.417  11.896  1.00 90.06           C  
-ATOM    314  O   GLY A  42     -13.267  -5.210  12.710  1.00 90.06           O  
-ATOM    315  N   GLU A  43     -13.184  -3.181  11.817  1.00 90.62           N  
-ATOM    316  CA  GLU A  43     -14.398  -2.631  12.412  1.00 90.62           C  
-ATOM    317  C   GLU A  43     -14.276  -2.540  13.931  1.00 90.62           C  
-ATOM    318  CB  GLU A  43     -15.615  -3.479  12.032  1.00 90.62           C  
-ATOM    319  O   GLU A  43     -15.271  -2.668  14.647  1.00 90.62           O  
-ATOM    320  CG  GLU A  43     -15.936  -3.461  10.545  1.00 90.62           C  
-ATOM    321  CD  GLU A  43     -17.186  -4.251  10.192  1.00 90.62           C  
-ATOM    322  OE1 GLU A  43     -17.807  -3.969   9.142  1.00 90.62           O  
-ATOM    323  OE2 GLU A  43     -17.549  -5.160  10.973  1.00 90.62           O  
-ATOM    324  N   SER A  44     -13.148  -2.479  14.475  1.00 95.12           N  
-ATOM    325  CA  SER A  44     -12.910  -2.407  15.913  1.00 95.12           C  
-ATOM    326  C   SER A  44     -12.998  -0.971  16.416  1.00 95.12           C  
-ATOM    327  CB  SER A  44     -11.542  -2.995  16.261  1.00 95.12           C  
-ATOM    328  O   SER A  44     -13.088  -0.735  17.623  1.00 95.12           O  
-ATOM    329  OG  SER A  44     -10.512  -2.326  15.554  1.00 95.12           O  
-ATOM    330  N   GLY A  45     -12.911   0.045  15.480  1.00 93.82           N  
-ATOM    331  CA  GLY A  45     -13.064   1.446  15.837  1.00 93.82           C  
-ATOM    332  C   GLY A  45     -11.763   2.223  15.778  1.00 93.82           C  
-ATOM    333  O   GLY A  45     -11.620   3.257  16.434  1.00 93.82           O  
-ATOM    334  N   LYS A  46     -10.761   1.757  14.983  1.00 94.55           N  
-ATOM    335  CA  LYS A  46      -9.457   2.405  14.870  1.00 94.55           C  
-ATOM    336  C   LYS A  46      -9.574   3.757  14.173  1.00 94.55           C  
-ATOM    337  CB  LYS A  46      -8.476   1.508  14.113  1.00 94.55           C  
-ATOM    338  O   LYS A  46      -9.095   4.770  14.687  1.00 94.55           O  
-ATOM    339  CG  LYS A  46      -8.230   0.162  14.777  1.00 94.55           C  
-ATOM    340  CD  LYS A  46      -7.186  -0.651  14.021  1.00 94.55           C  
-ATOM    341  CE  LYS A  46      -7.655  -0.994  12.614  1.00 94.55           C  
-ATOM    342  NZ  LYS A  46      -8.941  -1.752  12.627  1.00 94.55           N  
-ATOM    343  N   SER A  47     -10.221   3.716  13.077  1.00 94.23           N  
-ATOM    344  CA  SER A  47     -10.347   4.926  12.271  1.00 94.23           C  
-ATOM    345  C   SER A  47     -11.165   5.990  12.995  1.00 94.23           C  
-ATOM    346  CB  SER A  47     -10.992   4.606  10.922  1.00 94.23           C  
-ATOM    347  O   SER A  47     -10.915   7.187  12.838  1.00 94.23           O  
-ATOM    348  OG  SER A  47     -10.174   3.728  10.168  1.00 94.23           O  
-ATOM    349  N   THR A  48     -12.033   5.507  13.804  1.00 94.56           N  
-ATOM    350  CA  THR A  48     -12.853   6.432  14.577  1.00 94.56           C  
-ATOM    351  C   THR A  48     -12.013   7.151  15.629  1.00 94.56           C  
-ATOM    352  CB  THR A  48     -14.024   5.703  15.263  1.00 94.56           C  
-ATOM    353  O   THR A  48     -12.194   8.347  15.865  1.00 94.56           O  
-ATOM    354  CG2 THR A  48     -14.961   6.690  15.949  1.00 94.56           C  
-ATOM    355  OG1 THR A  48     -14.761   4.965  14.280  1.00 94.56           O  
-ATOM    356  N   ILE A  49     -11.066   6.464  16.185  1.00 94.26           N  
-ATOM    357  CA  ILE A  49     -10.150   7.049  17.158  1.00 94.26           C  
-ATOM    358  C   ILE A  49      -9.314   8.138  16.490  1.00 94.26           C  
-ATOM    359  CB  ILE A  49      -9.230   5.976  17.784  1.00 94.26           C  
-ATOM    360  O   ILE A  49      -9.080   9.197  17.077  1.00 94.26           O  
-ATOM    361  CG1 ILE A  49     -10.047   5.017  18.658  1.00 94.26           C  
-ATOM    362  CG2 ILE A  49      -8.108   6.633  18.593  1.00 94.26           C  
-ATOM    363  CD1 ILE A  49     -10.684   5.676  19.873  1.00 94.26           C  
-ATOM    364  N   VAL A  50      -8.916   7.895  15.267  1.00 92.46           N  
-ATOM    365  CA  VAL A  50      -8.114   8.860  14.523  1.00 92.46           C  
-ATOM    366  C   VAL A  50      -8.933  10.122  14.263  1.00 92.46           C  
-ATOM    367  CB  VAL A  50      -7.607   8.269  13.189  1.00 92.46           C  
-ATOM    368  O   VAL A  50      -8.431  11.238  14.415  1.00 92.46           O  
-ATOM    369  CG1 VAL A  50      -6.934   9.346  12.341  1.00 92.46           C  
-ATOM    370  CG2 VAL A  50      -6.645   7.111  13.450  1.00 92.46           C  
-ATOM    371  N   LYS A  51     -10.159   9.961  13.885  1.00 93.20           N  
-ATOM    372  CA  LYS A  51     -11.046  11.098  13.651  1.00 93.20           C  
-ATOM    373  C   LYS A  51     -11.210  11.936  14.915  1.00 93.20           C  
-ATOM    374  CB  LYS A  51     -12.413  10.620  13.159  1.00 93.20           C  
-ATOM    375  O   LYS A  51     -11.280  13.165  14.847  1.00 93.20           O  
-ATOM    376  CG  LYS A  51     -12.402  10.072  11.739  1.00 93.20           C  
-ATOM    377  CD  LYS A  51     -13.773   9.545  11.333  1.00 93.20           C  
-ATOM    378  CE  LYS A  51     -13.739   8.902   9.954  1.00 93.20           C  
-ATOM    379  NZ  LYS A  51     -15.047   8.271   9.604  1.00 93.20           N  
-ATOM    380  N   GLN A  52     -11.193  11.260  16.061  1.00 93.95           N  
-ATOM    381  CA  GLN A  52     -11.348  11.953  17.336  1.00 93.95           C  
-ATOM    382  C   GLN A  52     -10.150  12.853  17.622  1.00 93.95           C  
-ATOM    383  CB  GLN A  52     -11.535  10.948  18.474  1.00 93.95           C  
-ATOM    384  O   GLN A  52     -10.292  13.903  18.252  1.00 93.95           O  
-ATOM    385  CG  GLN A  52     -12.903  10.280  18.486  1.00 93.95           C  
-ATOM    386  CD  GLN A  52     -14.007  11.210  18.953  1.00 93.95           C  
-ATOM    387  NE2 GLN A  52     -15.145  10.638  19.329  1.00 93.95           N  
-ATOM    388  OE1 GLN A  52     -13.837  12.433  18.975  1.00 93.95           O  
-ATOM    389  N   MET A  53      -9.015  12.427  17.099  1.00 91.19           N  
-ATOM    390  CA  MET A  53      -7.817  13.231  17.319  1.00 91.19           C  
-ATOM    391  C   MET A  53      -7.930  14.580  16.616  1.00 91.19           C  
-ATOM    392  CB  MET A  53      -6.572  12.489  16.829  1.00 91.19           C  
-ATOM    393  O   MET A  53      -7.449  15.593  17.127  1.00 91.19           O  
-ATOM    394  CG  MET A  53      -6.231  11.256  17.650  1.00 91.19           C  
-ATOM    395  SD  MET A  53      -5.979  11.642  19.426  1.00 91.19           S  
-ATOM    396  CE  MET A  53      -7.593  11.149  20.093  1.00 91.19           C  
-ATOM    397  N   LYS A  54      -8.549  14.516  15.492  1.00 89.56           N  
-ATOM    398  CA  LYS A  54      -8.781  15.753  14.752  1.00 89.56           C  
-ATOM    399  C   LYS A  54      -9.752  16.665  15.496  1.00 89.56           C  
-ATOM    400  CB  LYS A  54      -9.316  15.449  13.352  1.00 89.56           C  
-ATOM    401  O   LYS A  54      -9.543  17.878  15.565  1.00 89.56           O  
-ATOM    402  CG  LYS A  54      -9.418  16.670  12.449  1.00 89.56           C  
-ATOM    403  CD  LYS A  54      -9.756  16.279  11.016  1.00 89.56           C  
-ATOM    404  CE  LYS A  54      -9.884  17.502  10.118  1.00 89.56           C  
-ATOM    405  NZ  LYS A  54     -10.061  17.120   8.684  1.00 89.56           N  
-ATOM    406  N   ILE A  55     -10.753  16.111  16.140  1.00 90.66           N  
-ATOM    407  CA  ILE A  55     -11.781  16.858  16.856  1.00 90.66           C  
-ATOM    408  C   ILE A  55     -11.210  17.393  18.167  1.00 90.66           C  
-ATOM    409  CB  ILE A  55     -13.026  15.985  17.131  1.00 90.66           C  
-ATOM    410  O   ILE A  55     -11.418  18.559  18.512  1.00 90.66           O  
-ATOM    411  CG1 ILE A  55     -13.704  15.592  15.813  1.00 90.66           C  
-ATOM    412  CG2 ILE A  55     -14.005  16.716  18.054  1.00 90.66           C  
-ATOM    413  CD1 ILE A  55     -14.840  14.592  15.975  1.00 90.66           C  
-ATOM    414  N   ILE A  56     -10.413  16.635  18.863  1.00 89.65           N  
-ATOM    415  CA  ILE A  56      -9.967  16.953  20.215  1.00 89.65           C  
-ATOM    416  C   ILE A  56      -8.743  17.864  20.154  1.00 89.65           C  
-ATOM    417  CB  ILE A  56      -9.644  15.674  21.020  1.00 89.65           C  
-ATOM    418  O   ILE A  56      -8.641  18.829  20.916  1.00 89.65           O  
-ATOM    419  CG1 ILE A  56     -10.917  14.851  21.248  1.00 89.65           C  
-ATOM    420  CG2 ILE A  56      -8.975  16.028  22.351  1.00 89.65           C  
-ATOM    421  CD1 ILE A  56     -10.661  13.458  21.808  1.00 89.65           C  
-ATOM    422  N   HIS A  57      -7.870  17.625  19.238  1.00 86.88           N  
-ATOM    423  CA  HIS A  57      -6.569  18.282  19.306  1.00 86.88           C  
-ATOM    424  C   HIS A  57      -6.379  19.249  18.142  1.00 86.88           C  
-ATOM    425  CB  HIS A  57      -5.445  17.244  19.315  1.00 86.88           C  
-ATOM    426  O   HIS A  57      -5.411  20.012  18.116  1.00 86.88           O  
-ATOM    427  CG  HIS A  57      -5.437  16.379  20.535  1.00 86.88           C  
-ATOM    428  CD2 HIS A  57      -5.627  15.047  20.682  1.00 86.88           C  
-ATOM    429  ND1 HIS A  57      -5.214  16.879  21.800  1.00 86.88           N  
-ATOM    430  CE1 HIS A  57      -5.267  15.888  22.674  1.00 86.88           C  
-ATOM    431  NE2 HIS A  57      -5.517  14.766  22.022  1.00 86.88           N  
-ATOM    432  N   GLU A  58      -7.289  19.252  17.234  1.00 85.64           N  
-ATOM    433  CA  GLU A  58      -7.244  20.205  16.129  1.00 85.64           C  
-ATOM    434  C   GLU A  58      -8.517  21.045  16.072  1.00 85.64           C  
-ATOM    435  CB  GLU A  58      -7.035  19.477  14.799  1.00 85.64           C  
-ATOM    436  O   GLU A  58      -9.152  21.289  17.100  1.00 85.64           O  
-ATOM    437  CG  GLU A  58      -5.688  18.779  14.685  1.00 85.64           C  
-ATOM    438  CD  GLU A  58      -5.463  18.126  13.330  1.00 85.64           C  
-ATOM    439  OE1 GLU A  58      -4.389  17.517  13.121  1.00 85.64           O  
-ATOM    440  OE2 GLU A  58      -6.367  18.225  12.471  1.00 85.64           O  
-ATOM    441  N   ALA A  59      -8.870  21.622  14.861  1.00 86.34           N  
-ATOM    442  CA  ALA A  59     -10.000  22.541  14.761  1.00 86.34           C  
-ATOM    443  C   ALA A  59     -11.293  21.790  14.456  1.00 86.34           C  
-ATOM    444  CB  ALA A  59      -9.735  23.595  13.688  1.00 86.34           C  
-ATOM    445  O   ALA A  59     -12.340  22.405  14.243  1.00 86.34           O  
-ATOM    446  N   GLY A  60     -11.146  20.370  14.490  1.00 88.73           N  
-ATOM    447  CA  GLY A  60     -12.319  19.595  14.118  1.00 88.73           C  
-ATOM    448  C   GLY A  60     -12.621  19.648  12.632  1.00 88.73           C  
-ATOM    449  O   GLY A  60     -11.742  19.955  11.825  1.00 88.73           O  
-ATOM    450  N   TYR A  61     -13.836  19.169  12.226  1.00 90.74           N  
-ATOM    451  CA  TYR A  61     -14.231  19.144  10.823  1.00 90.74           C  
-ATOM    452  C   TYR A  61     -14.983  20.415  10.445  1.00 90.74           C  
-ATOM    453  CB  TYR A  61     -15.100  17.917  10.530  1.00 90.74           C  
-ATOM    454  O   TYR A  61     -15.975  20.771  11.086  1.00 90.74           O  
-ATOM    455  CG  TYR A  61     -14.356  16.608  10.632  1.00 90.74           C  
-ATOM    456  CD1 TYR A  61     -13.715  16.061   9.523  1.00 90.74           C  
-ATOM    457  CD2 TYR A  61     -14.294  15.916  11.836  1.00 90.74           C  
-ATOM    458  CE1 TYR A  61     -13.030  14.854   9.612  1.00 90.74           C  
-ATOM    459  CE2 TYR A  61     -13.611  14.708  11.936  1.00 90.74           C  
-ATOM    460  OH  TYR A  61     -12.306  12.990  10.914  1.00 90.74           O  
-ATOM    461  CZ  TYR A  61     -12.983  14.186  10.821  1.00 90.74           C  
-ATOM    462  N   SER A  62     -14.421  21.170   9.452  1.00 90.85           N  
-ATOM    463  CA  SER A  62     -15.114  22.351   8.948  1.00 90.85           C  
-ATOM    464  C   SER A  62     -16.422  21.973   8.260  1.00 90.85           C  
-ATOM    465  CB  SER A  62     -14.222  23.123   7.975  1.00 90.85           C  
-ATOM    466  O   SER A  62     -16.656  20.800   7.963  1.00 90.85           O  
-ATOM    467  OG  SER A  62     -14.042  22.395   6.772  1.00 90.85           O  
-ATOM    468  N   GLU A  63     -17.269  22.909   8.014  1.00 89.91           N  
-ATOM    469  CA  GLU A  63     -18.531  22.673   7.320  1.00 89.91           C  
-ATOM    470  C   GLU A  63     -18.296  22.077   5.935  1.00 89.91           C  
-ATOM    471  CB  GLU A  63     -19.333  23.972   7.204  1.00 89.91           C  
-ATOM    472  O   GLU A  63     -19.028  21.182   5.506  1.00 89.91           O  
-ATOM    473  CG  GLU A  63     -20.748  23.777   6.681  1.00 89.91           C  
-ATOM    474  CD  GLU A  63     -21.571  25.056   6.683  1.00 89.91           C  
-ATOM    475  OE1 GLU A  63     -22.665  25.075   6.076  1.00 89.91           O  
-ATOM    476  OE2 GLU A  63     -21.116  26.047   7.297  1.00 89.91           O  
-ATOM    477  N   GLU A  64     -17.308  22.601   5.253  1.00 90.02           N  
-ATOM    478  CA  GLU A  64     -16.972  22.117   3.917  1.00 90.02           C  
-ATOM    479  C   GLU A  64     -16.533  20.656   3.953  1.00 90.02           C  
-ATOM    480  CB  GLU A  64     -15.873  22.981   3.293  1.00 90.02           C  
-ATOM    481  O   GLU A  64     -16.924  19.863   3.094  1.00 90.02           O  
-ATOM    482  CG  GLU A  64     -16.369  24.320   2.765  1.00 90.02           C  
-ATOM    483  CD  GLU A  64     -16.698  25.315   3.866  1.00 90.02           C  
-ATOM    484  OE1 GLU A  64     -17.529  26.222   3.636  1.00 90.02           O  
-ATOM    485  OE2 GLU A  64     -16.118  25.187   4.968  1.00 90.02           O  
-ATOM    486  N   GLU A  65     -15.732  20.312   4.965  1.00 90.24           N  
-ATOM    487  CA  GLU A  65     -15.276  18.934   5.121  1.00 90.24           C  
-ATOM    488  C   GLU A  65     -16.439  18.001   5.444  1.00 90.24           C  
-ATOM    489  CB  GLU A  65     -14.207  18.842   6.213  1.00 90.24           C  
-ATOM    490  O   GLU A  65     -16.490  16.871   4.954  1.00 90.24           O  
-ATOM    491  CG  GLU A  65     -12.866  19.438   5.813  1.00 90.24           C  
-ATOM    492  CD  GLU A  65     -11.863  19.478   6.955  1.00 90.24           C  
-ATOM    493  OE1 GLU A  65     -10.644  19.357   6.697  1.00 90.24           O  
-ATOM    494  OE2 GLU A  65     -12.299  19.630   8.118  1.00 90.24           O  
-ATOM    495  N   CYS A  66     -17.337  18.468   6.253  1.00 92.53           N  
-ATOM    496  CA  CYS A  66     -18.503  17.679   6.635  1.00 92.53           C  
-ATOM    497  C   CYS A  66     -19.383  17.388   5.426  1.00 92.53           C  
-ATOM    498  CB  CYS A  66     -19.315  18.407   7.705  1.00 92.53           C  
-ATOM    499  O   CYS A  66     -19.958  16.303   5.318  1.00 92.53           O  
-ATOM    500  SG  CYS A  66     -18.525  18.429   9.329  1.00 92.53           S  
-ATOM    501  N   LYS A  67     -19.402  18.326   4.494  1.00 91.32           N  
-ATOM    502  CA  LYS A  67     -20.210  18.163   3.288  1.00 91.32           C  
-ATOM    503  C   LYS A  67     -19.696  17.007   2.434  1.00 91.32           C  
-ATOM    504  CB  LYS A  67     -20.219  19.455   2.470  1.00 91.32           C  
-ATOM    505  O   LYS A  67     -20.475  16.340   1.750  1.00 91.32           O  
-ATOM    506  CG  LYS A  67     -21.154  20.525   3.014  1.00 91.32           C  
-ATOM    507  CD  LYS A  67     -21.174  21.758   2.120  1.00 91.32           C  
-ATOM    508  CE  LYS A  67     -22.059  22.855   2.697  1.00 91.32           C  
-ATOM    509  NZ  LYS A  67     -22.020  24.093   1.863  1.00 91.32           N  
-ATOM    510  N   GLN A  68     -18.426  16.777   2.557  1.00 91.10           N  
-ATOM    511  CA  GLN A  68     -17.807  15.723   1.761  1.00 91.10           C  
-ATOM    512  C   GLN A  68     -18.232  14.341   2.251  1.00 91.10           C  
-ATOM    513  CB  GLN A  68     -16.283  15.846   1.797  1.00 91.10           C  
-ATOM    514  O   GLN A  68     -18.140  13.359   1.512  1.00 91.10           O  
-ATOM    515  CG  GLN A  68     -15.750  17.090   1.099  1.00 91.10           C  
-ATOM    516  CD  GLN A  68     -14.251  17.258   1.262  1.00 91.10           C  
-ATOM    517  NE2 GLN A  68     -13.690  18.262   0.596  1.00 91.10           N  
-ATOM    518  OE1 GLN A  68     -13.601  16.492   1.981  1.00 91.10           O  
-ATOM    519  N   TYR A  69     -18.756  14.320   3.472  1.00 94.14           N  
-ATOM    520  CA  TYR A  69     -19.110  13.032   4.059  1.00 94.14           C  
-ATOM    521  C   TYR A  69     -20.574  12.698   3.800  1.00 94.14           C  
-ATOM    522  CB  TYR A  69     -18.833  13.034   5.566  1.00 94.14           C  
-ATOM    523  O   TYR A  69     -21.053  11.632   4.195  1.00 94.14           O  
-ATOM    524  CG  TYR A  69     -17.394  12.749   5.919  1.00 94.14           C  
-ATOM    525  CD1 TYR A  69     -16.964  11.449   6.175  1.00 94.14           C  
-ATOM    526  CD2 TYR A  69     -16.462  13.778   5.999  1.00 94.14           C  
-ATOM    527  CE1 TYR A  69     -15.639  11.181   6.504  1.00 94.14           C  
-ATOM    528  CE2 TYR A  69     -15.134  13.522   6.326  1.00 94.14           C  
-ATOM    529  OH  TYR A  69     -13.420  11.963   6.900  1.00 94.14           O  
-ATOM    530  CZ  TYR A  69     -14.733  12.222   6.576  1.00 94.14           C  
-ATOM    531  N   LYS A  70     -21.141  13.625   3.196  1.00 92.90           N  
-ATOM    532  CA  LYS A  70     -22.556  13.450   2.883  1.00 92.90           C  
-ATOM    533  C   LYS A  70     -22.783  12.192   2.050  1.00 92.90           C  
-ATOM    534  CB  LYS A  70     -23.098  14.674   2.143  1.00 92.90           C  
-ATOM    535  O   LYS A  70     -23.666  11.388   2.358  1.00 92.90           O  
-ATOM    536  CG  LYS A  70     -24.612  14.688   1.995  1.00 92.90           C  
-ATOM    537  CD  LYS A  70     -25.100  15.986   1.365  1.00 92.90           C  
-ATOM    538  CE  LYS A  70     -26.617  16.007   1.230  1.00 92.90           C  
-ATOM    539  NZ  LYS A  70     -27.105  17.301   0.666  1.00 92.90           N  
-ATOM    540  N   ALA A  71     -22.061  11.989   1.092  1.00 91.95           N  
-ATOM    541  CA  ALA A  71     -22.178  10.834   0.205  1.00 91.95           C  
-ATOM    542  C   ALA A  71     -21.958   9.532   0.969  1.00 91.95           C  
-ATOM    543  CB  ALA A  71     -21.182  10.946  -0.947  1.00 91.95           C  
-ATOM    544  O   ALA A  71     -22.663   8.545   0.742  1.00 91.95           O  
-ATOM    545  N   VAL A  72     -21.066   9.619   1.868  1.00 93.70           N  
-ATOM    546  CA  VAL A  72     -20.717   8.429   2.637  1.00 93.70           C  
-ATOM    547  C   VAL A  72     -21.864   8.066   3.578  1.00 93.70           C  
-ATOM    548  CB  VAL A  72     -19.414   8.636   3.441  1.00 93.70           C  
-ATOM    549  O   VAL A  72     -22.223   6.893   3.705  1.00 93.70           O  
-ATOM    550  CG1 VAL A  72     -19.045   7.366   4.207  1.00 93.70           C  
-ATOM    551  CG2 VAL A  72     -18.275   9.052   2.512  1.00 93.70           C  
-ATOM    552  N   VAL A  73     -22.407   9.038   4.238  1.00 95.23           N  
-ATOM    553  CA  VAL A  73     -23.522   8.832   5.157  1.00 95.23           C  
-ATOM    554  C   VAL A  73     -24.696   8.201   4.413  1.00 95.23           C  
-ATOM    555  CB  VAL A  73     -23.962  10.156   5.822  1.00 95.23           C  
-ATOM    556  O   VAL A  73     -25.274   7.215   4.875  1.00 95.23           O  
-ATOM    557  CG1 VAL A  73     -25.266   9.965   6.594  1.00 95.23           C  
-ATOM    558  CG2 VAL A  73     -22.862  10.680   6.744  1.00 95.23           C  
-ATOM    559  N   TYR A  74     -24.969   8.725   3.277  1.00 94.45           N  
-ATOM    560  CA  TYR A  74     -26.070   8.205   2.474  1.00 94.45           C  
-ATOM    561  C   TYR A  74     -25.815   6.758   2.071  1.00 94.45           C  
-ATOM    562  CB  TYR A  74     -26.279   9.066   1.224  1.00 94.45           C  
-ATOM    563  O   TYR A  74     -26.709   5.914   2.163  1.00 94.45           O  
-ATOM    564  CG  TYR A  74     -26.912  10.406   1.509  1.00 94.45           C  
-ATOM    565  CD1 TYR A  74     -27.465  10.686   2.757  1.00 94.45           C  
-ATOM    566  CD2 TYR A  74     -26.960  11.394   0.532  1.00 94.45           C  
-ATOM    567  CE1 TYR A  74     -28.051  11.919   3.024  1.00 94.45           C  
-ATOM    568  CE2 TYR A  74     -27.544  12.630   0.787  1.00 94.45           C  
-ATOM    569  OH  TYR A  74     -28.665  14.105   2.293  1.00 94.45           O  
-ATOM    570  CZ  TYR A  74     -28.086  12.883   2.034  1.00 94.45           C  
-ATOM    571  N   SER A  75     -24.648   6.590   1.627  1.00 93.29           N  
-ATOM    572  CA  SER A  75     -24.267   5.242   1.217  1.00 93.29           C  
-ATOM    573  C   SER A  75     -24.391   4.257   2.375  1.00 93.29           C  
-ATOM    574  CB  SER A  75     -22.836   5.230   0.678  1.00 93.29           C  
-ATOM    575  O   SER A  75     -24.951   3.170   2.214  1.00 93.29           O  
-ATOM    576  OG  SER A  75     -22.442   3.914   0.328  1.00 93.29           O  
-ATOM    577  N   ASN A  76     -23.877   4.592   3.523  1.00 94.91           N  
-ATOM    578  CA  ASN A  76     -23.948   3.726   4.695  1.00 94.91           C  
-ATOM    579  C   ASN A  76     -25.393   3.431   5.087  1.00 94.91           C  
-ATOM    580  CB  ASN A  76     -23.196   4.352   5.872  1.00 94.91           C  
-ATOM    581  O   ASN A  76     -25.718   2.308   5.476  1.00 94.91           O  
-ATOM    582  CG  ASN A  76     -21.691   4.290   5.702  1.00 94.91           C  
-ATOM    583  ND2 ASN A  76     -21.239   3.577   4.678  1.00 94.91           N  
-ATOM    584  OD1 ASN A  76     -20.941   4.878   6.486  1.00 94.91           O  
-ATOM    585  N   THR A  77     -26.260   4.473   4.956  1.00 95.43           N  
-ATOM    586  CA  THR A  77     -27.669   4.342   5.308  1.00 95.43           C  
-ATOM    587  C   THR A  77     -28.376   3.377   4.360  1.00 95.43           C  
-ATOM    588  CB  THR A  77     -28.381   5.707   5.282  1.00 95.43           C  
-ATOM    589  O   THR A  77     -29.056   2.449   4.804  1.00 95.43           O  
-ATOM    590  CG2 THR A  77     -29.835   5.577   5.724  1.00 95.43           C  
-ATOM    591  OG1 THR A  77     -27.704   6.610   6.165  1.00 95.43           O  
-ATOM    592  N   ILE A  78     -28.155   3.543   3.086  1.00 94.63           N  
-ATOM    593  CA  ILE A  78     -28.803   2.746   2.050  1.00 94.63           C  
-ATOM    594  C   ILE A  78     -28.312   1.302   2.128  1.00 94.63           C  
-ATOM    595  CB  ILE A  78     -28.540   3.326   0.642  1.00 94.63           C  
-ATOM    596  O   ILE A  78     -29.115   0.366   2.109  1.00 94.63           O  
-ATOM    597  CG1 ILE A  78     -29.237   4.682   0.484  1.00 94.63           C  
-ATOM    598  CG2 ILE A  78     -28.998   2.345  -0.441  1.00 94.63           C  
-ATOM    599  CD1 ILE A  78     -28.812   5.456  -0.756  1.00 94.63           C  
-ATOM    600  N   GLN A  79     -27.072   1.160   2.283  1.00 94.49           N  
-ATOM    601  CA  GLN A  79     -26.489  -0.176   2.343  1.00 94.49           C  
-ATOM    602  C   GLN A  79     -26.953  -0.923   3.591  1.00 94.49           C  
-ATOM    603  CB  GLN A  79     -24.962  -0.099   2.314  1.00 94.49           C  
-ATOM    604  O   GLN A  79     -27.118  -2.144   3.564  1.00 94.49           O  
-ATOM    605  CG  GLN A  79     -24.395   0.382   0.985  1.00 94.49           C  
-ATOM    606  CD  GLN A  79     -24.696  -0.568  -0.159  1.00 94.49           C  
-ATOM    607  NE2 GLN A  79     -24.890  -0.016  -1.352  1.00 94.49           N  
-ATOM    608  OE1 GLN A  79     -24.751  -1.787   0.027  1.00 94.49           O  
-ATOM    609  N   SER A  80     -27.157  -0.216   4.647  1.00 96.37           N  
-ATOM    610  CA  SER A  80     -27.620  -0.831   5.887  1.00 96.37           C  
-ATOM    611  C   SER A  80     -29.022  -1.410   5.727  1.00 96.37           C  
-ATOM    612  CB  SER A  80     -27.607   0.187   7.028  1.00 96.37           C  
-ATOM    613  O   SER A  80     -29.277  -2.551   6.120  1.00 96.37           O  
-ATOM    614  OG  SER A  80     -26.279   0.561   7.353  1.00 96.37           O  
-ATOM    615  N   ILE A  81     -29.903  -0.628   5.117  1.00 96.93           N  
-ATOM    616  CA  ILE A  81     -31.274  -1.102   4.958  1.00 96.93           C  
-ATOM    617  C   ILE A  81     -31.316  -2.216   3.914  1.00 96.93           C  
-ATOM    618  CB  ILE A  81     -32.226   0.046   4.556  1.00 96.93           C  
-ATOM    619  O   ILE A  81     -32.078  -3.176   4.051  1.00 96.93           O  
-ATOM    620  CG1 ILE A  81     -33.687  -0.397   4.700  1.00 96.93           C  
-ATOM    621  CG2 ILE A  81     -31.934   0.515   3.128  1.00 96.93           C  
-ATOM    622  CD1 ILE A  81     -34.098  -0.718   6.131  1.00 96.93           C  
-ATOM    623  N   ILE A  82     -30.585  -2.162   2.899  1.00 95.89           N  
-ATOM    624  CA  ILE A  82     -30.499  -3.212   1.889  1.00 95.89           C  
-ATOM    625  C   ILE A  82     -30.008  -4.507   2.532  1.00 95.89           C  
-ATOM    626  CB  ILE A  82     -29.566  -2.803   0.727  1.00 95.89           C  
-ATOM    627  O   ILE A  82     -30.536  -5.585   2.252  1.00 95.89           O  
-ATOM    628  CG1 ILE A  82     -30.241  -1.745  -0.153  1.00 95.89           C  
-ATOM    629  CG2 ILE A  82     -29.165  -4.028  -0.099  1.00 95.89           C  
-ATOM    630  CD1 ILE A  82     -29.367  -1.239  -1.293  1.00 95.89           C  
-ATOM    631  N   ALA A  83     -29.007  -4.336   3.379  1.00 95.99           N  
-ATOM    632  CA  ALA A  83     -28.471  -5.504   4.073  1.00 95.99           C  
-ATOM    633  C   ALA A  83     -29.545  -6.180   4.920  1.00 95.99           C  
-ATOM    634  CB  ALA A  83     -27.282  -5.107   4.945  1.00 95.99           C  
-ATOM    635  O   ALA A  83     -29.634  -7.410   4.956  1.00 95.99           O  
-ATOM    636  N   ILE A  84     -30.344  -5.434   5.572  1.00 97.37           N  
-ATOM    637  CA  ILE A  84     -31.410  -5.958   6.419  1.00 97.37           C  
-ATOM    638  C   ILE A  84     -32.450  -6.672   5.559  1.00 97.37           C  
-ATOM    639  CB  ILE A  84     -32.077  -4.835   7.245  1.00 97.37           C  
-ATOM    640  O   ILE A  84     -32.862  -7.791   5.873  1.00 97.37           O  
-ATOM    641  CG1 ILE A  84     -31.075  -4.235   8.238  1.00 97.37           C  
-ATOM    642  CG2 ILE A  84     -33.318  -5.364   7.971  1.00 97.37           C  
-ATOM    643  CD1 ILE A  84     -31.580  -2.988   8.950  1.00 97.37           C  
-ATOM    644  N   ILE A  85     -32.837  -6.071   4.435  1.00 96.51           N  
-ATOM    645  CA  ILE A  85     -33.859  -6.623   3.552  1.00 96.51           C  
-ATOM    646  C   ILE A  85     -33.353  -7.918   2.921  1.00 96.51           C  
-ATOM    647  CB  ILE A  85     -34.262  -5.613   2.453  1.00 96.51           C  
-ATOM    648  O   ILE A  85     -34.092  -8.900   2.826  1.00 96.51           O  
-ATOM    649  CG1 ILE A  85     -34.886  -4.361   3.081  1.00 96.51           C  
-ATOM    650  CG2 ILE A  85     -35.223  -6.260   1.451  1.00 96.51           C  
-ATOM    651  CD1 ILE A  85     -36.098  -4.647   3.957  1.00 96.51           C  
-ATOM    652  N   ARG A  86     -32.201  -7.994   2.539  1.00 95.31           N  
-ATOM    653  CA  ARG A  86     -31.609  -9.213   1.997  1.00 95.31           C  
-ATOM    654  C   ARG A  86     -31.586 -10.322   3.043  1.00 95.31           C  
-ATOM    655  CB  ARG A  86     -30.190  -8.942   1.490  1.00 95.31           C  
-ATOM    656  O   ARG A  86     -31.861 -11.483   2.730  1.00 95.31           O  
-ATOM    657  CG  ARG A  86     -30.142  -8.251   0.137  1.00 95.31           C  
-ATOM    658  CD  ARG A  86     -28.710  -8.040  -0.338  1.00 95.31           C  
-ATOM    659  NE  ARG A  86     -28.662  -7.280  -1.583  1.00 95.31           N  
-ATOM    660  NH1 ARG A  86     -26.526  -6.468  -1.246  1.00 95.31           N  
-ATOM    661  NH2 ARG A  86     -27.688  -5.898  -3.138  1.00 95.31           N  
-ATOM    662  CZ  ARG A  86     -27.625  -6.550  -1.986  1.00 95.31           C  
-ATOM    663  N   ALA A  87     -31.268  -9.934   4.222  1.00 95.70           N  
-ATOM    664  CA  ALA A  87     -31.193 -10.896   5.318  1.00 95.70           C  
-ATOM    665  C   ALA A  87     -32.570 -11.466   5.644  1.00 95.70           C  
-ATOM    666  CB  ALA A  87     -30.584 -10.243   6.557  1.00 95.70           C  
-ATOM    667  O   ALA A  87     -32.684 -12.599   6.118  1.00 95.70           O  
-ATOM    668  N   MET A  88     -33.572 -10.671   5.449  1.00 95.81           N  
-ATOM    669  CA  MET A  88     -34.938 -11.136   5.672  1.00 95.81           C  
-ATOM    670  C   MET A  88     -35.249 -12.348   4.800  1.00 95.81           C  
-ATOM    671  CB  MET A  88     -35.940 -10.016   5.388  1.00 95.81           C  
-ATOM    672  O   MET A  88     -35.903 -13.290   5.250  1.00 95.81           O  
-ATOM    673  CG  MET A  88     -35.971  -8.936   6.457  1.00 95.81           C  
-ATOM    674  SD  MET A  88     -37.204  -7.626   6.098  1.00 95.81           S  
-ATOM    675  CE  MET A  88     -38.740  -8.528   6.444  1.00 95.81           C  
-ATOM    676  N   GLY A  89     -34.792 -12.282   3.547  1.00 91.97           N  
-ATOM    677  CA  GLY A  89     -34.973 -13.409   2.646  1.00 91.97           C  
-ATOM    678  C   GLY A  89     -34.247 -14.661   3.102  1.00 91.97           C  
-ATOM    679  O   GLY A  89     -34.824 -15.750   3.109  1.00 91.97           O  
-ATOM    680  N   ARG A  90     -33.083 -14.490   3.608  1.00 92.13           N  
-ATOM    681  CA  ARG A  90     -32.234 -15.588   4.058  1.00 92.13           C  
-ATOM    682  C   ARG A  90     -32.767 -16.199   5.350  1.00 92.13           C  
-ATOM    683  CB  ARG A  90     -30.795 -15.108   4.259  1.00 92.13           C  
-ATOM    684  O   ARG A  90     -32.758 -17.420   5.515  1.00 92.13           O  
-ATOM    685  CG  ARG A  90     -29.812 -16.224   4.576  1.00 92.13           C  
-ATOM    686  CD  ARG A  90     -28.390 -15.700   4.713  1.00 92.13           C  
-ATOM    687  NE  ARG A  90     -27.470 -16.747   5.149  1.00 92.13           N  
-ATOM    688  NH1 ARG A  90     -25.597 -15.394   5.134  1.00 92.13           N  
-ATOM    689  NH2 ARG A  90     -25.419 -17.599   5.737  1.00 92.13           N  
-ATOM    690  CZ  ARG A  90     -26.164 -16.578   5.339  1.00 92.13           C  
-ATOM    691  N   LEU A  91     -33.307 -15.390   6.237  1.00 94.49           N  
-ATOM    692  CA  LEU A  91     -33.768 -15.838   7.546  1.00 94.49           C  
-ATOM    693  C   LEU A  91     -35.257 -16.166   7.516  1.00 94.49           C  
-ATOM    694  CB  LEU A  91     -33.490 -14.769   8.607  1.00 94.49           C  
-ATOM    695  O   LEU A  91     -35.829 -16.566   8.533  1.00 94.49           O  
-ATOM    696  CG  LEU A  91     -32.019 -14.467   8.896  1.00 94.49           C  
-ATOM    697  CD1 LEU A  91     -31.899 -13.305   9.876  1.00 94.49           C  
-ATOM    698  CD2 LEU A  91     -31.316 -15.706   9.441  1.00 94.49           C  
-ATOM    699  N   LYS A  92     -35.802 -15.972   6.347  1.00 94.04           N  
-ATOM    700  CA  LYS A  92     -37.203 -16.289   6.090  1.00 94.04           C  
-ATOM    701  C   LYS A  92     -38.122 -15.538   7.049  1.00 94.04           C  
-ATOM    702  CB  LYS A  92     -37.443 -17.795   6.206  1.00 94.04           C  
-ATOM    703  O   LYS A  92     -39.020 -16.132   7.649  1.00 94.04           O  
-ATOM    704  CG  LYS A  92     -36.692 -18.623   5.173  1.00 94.04           C  
-ATOM    705  CD  LYS A  92     -37.096 -20.090   5.231  1.00 94.04           C  
-ATOM    706  CE  LYS A  92     -36.376 -20.912   4.171  1.00 94.04           C  
-ATOM    707  NZ  LYS A  92     -36.765 -22.353   4.228  1.00 94.04           N  
-ATOM    708  N   ILE A  93     -37.881 -14.255   7.216  1.00 95.10           N  
-ATOM    709  CA  ILE A  93     -38.715 -13.367   8.018  1.00 95.10           C  
-ATOM    710  C   ILE A  93     -39.686 -12.613   7.113  1.00 95.10           C  
-ATOM    711  CB  ILE A  93     -37.859 -12.371   8.833  1.00 95.10           C  
-ATOM    712  O   ILE A  93     -39.271 -11.967   6.148  1.00 95.10           O  
-ATOM    713  CG1 ILE A  93     -36.917 -13.125   9.778  1.00 95.10           C  
-ATOM    714  CG2 ILE A  93     -38.753 -11.400   9.610  1.00 95.10           C  
-ATOM    715  CD1 ILE A  93     -35.927 -12.229  10.510  1.00 95.10           C  
-ATOM    716  N   ASP A  94     -40.932 -12.702   7.411  1.00 96.02           N  
-ATOM    717  CA  ASP A  94     -41.953 -12.025   6.617  1.00 96.02           C  
-ATOM    718  C   ASP A  94     -42.118 -10.573   7.059  1.00 96.02           C  
-ATOM    719  CB  ASP A  94     -43.290 -12.762   6.721  1.00 96.02           C  
-ATOM    720  O   ASP A  94     -41.837 -10.232   8.210  1.00 96.02           O  
-ATOM    721  CG  ASP A  94     -43.250 -14.152   6.111  1.00 96.02           C  
-ATOM    722  OD1 ASP A  94     -42.603 -14.337   5.057  1.00 96.02           O  
-ATOM    723  OD2 ASP A  94     -43.874 -15.069   6.686  1.00 96.02           O  
-ATOM    724  N   PHE A  95     -42.573  -9.775   6.051  1.00 96.80           N  
-ATOM    725  CA  PHE A  95     -42.900  -8.399   6.406  1.00 96.80           C  
-ATOM    726  C   PHE A  95     -44.114  -8.351   7.327  1.00 96.80           C  
-ATOM    727  CB  PHE A  95     -43.163  -7.566   5.147  1.00 96.80           C  
-ATOM    728  O   PHE A  95     -44.997  -9.207   7.243  1.00 96.80           O  
-ATOM    729  CG  PHE A  95     -41.939  -7.342   4.301  1.00 96.80           C  
-ATOM    730  CD1 PHE A  95     -40.951  -6.451   4.704  1.00 96.80           C  
-ATOM    731  CD2 PHE A  95     -41.776  -8.022   3.101  1.00 96.80           C  
-ATOM    732  CE1 PHE A  95     -39.817  -6.242   3.923  1.00 96.80           C  
-ATOM    733  CE2 PHE A  95     -40.645  -7.818   2.315  1.00 96.80           C  
-ATOM    734  CZ  PHE A  95     -39.668  -6.927   2.727  1.00 96.80           C  
-ATOM    735  N   GLY A  96     -44.045  -7.494   8.298  1.00 93.45           N  
-ATOM    736  CA  GLY A  96     -45.234  -7.284   9.109  1.00 93.45           C  
-ATOM    737  C   GLY A  96     -46.450  -6.886   8.294  1.00 93.45           C  
-ATOM    738  O   GLY A  96     -47.555  -7.374   8.539  1.00 93.45           O  
-ATOM    739  N   ASP A  97     -46.230  -5.959   7.344  1.00 94.11           N  
-ATOM    740  CA  ASP A  97     -47.194  -5.500   6.349  1.00 94.11           C  
-ATOM    741  C   ASP A  97     -46.829  -6.005   4.955  1.00 94.11           C  
-ATOM    742  CB  ASP A  97     -47.279  -3.972   6.349  1.00 94.11           C  
-ATOM    743  O   ASP A  97     -45.778  -5.651   4.416  1.00 94.11           O  
-ATOM    744  CG  ASP A  97     -48.396  -3.440   5.469  1.00 94.11           C  
-ATOM    745  OD1 ASP A  97     -48.969  -4.217   4.674  1.00 94.11           O  
-ATOM    746  OD2 ASP A  97     -48.703  -2.233   5.568  1.00 94.11           O  
-ATOM    747  N   ALA A  98     -47.722  -6.747   4.330  1.00 91.45           N  
-ATOM    748  CA  ALA A  98     -47.460  -7.381   3.041  1.00 91.45           C  
-ATOM    749  C   ALA A  98     -47.170  -6.338   1.966  1.00 91.45           C  
-ATOM    750  CB  ALA A  98     -48.644  -8.252   2.627  1.00 91.45           C  
-ATOM    751  O   ALA A  98     -46.490  -6.628   0.978  1.00 91.45           O  
-ATOM    752  N   ALA A  99     -47.688  -5.070   2.156  1.00 90.93           N  
-ATOM    753  CA  ALA A  99     -47.475  -3.977   1.210  1.00 90.93           C  
-ATOM    754  C   ALA A  99     -46.005  -3.573   1.160  1.00 90.93           C  
-ATOM    755  CB  ALA A  99     -48.341  -2.776   1.582  1.00 90.93           C  
-ATOM    756  O   ALA A  99     -45.553  -2.972   0.182  1.00 90.93           O  
-ATOM    757  N   ARG A 100     -45.234  -3.930   2.216  1.00 95.60           N  
-ATOM    758  CA  ARG A 100     -43.839  -3.511   2.293  1.00 95.60           C  
-ATOM    759  C   ARG A 100     -42.975  -4.299   1.314  1.00 95.60           C  
-ATOM    760  CB  ARG A 100     -43.304  -3.680   3.717  1.00 95.60           C  
-ATOM    761  O   ARG A 100     -41.878  -3.866   0.957  1.00 95.60           O  
-ATOM    762  CG  ARG A 100     -43.990  -2.792   4.742  1.00 95.60           C  
-ATOM    763  CD  ARG A 100     -43.787  -1.315   4.436  1.00 95.60           C  
-ATOM    764  NE  ARG A 100     -44.846  -0.792   3.578  1.00 95.60           N  
-ATOM    765  NH1 ARG A 100     -46.328  -0.388   5.303  1.00 95.60           N  
-ATOM    766  NH2 ARG A 100     -46.920   0.093   3.141  1.00 95.60           N  
-ATOM    767  CZ  ARG A 100     -46.029  -0.363   4.009  1.00 95.60           C  
-ATOM    768  N   ALA A 101     -43.477  -5.388   0.834  1.00 92.62           N  
-ATOM    769  CA  ALA A 101     -42.770  -6.158  -0.185  1.00 92.62           C  
-ATOM    770  C   ALA A 101     -42.530  -5.320  -1.438  1.00 92.62           C  
-ATOM    771  CB  ALA A 101     -43.552  -7.422  -0.536  1.00 92.62           C  
-ATOM    772  O   ALA A 101     -41.453  -5.381  -2.036  1.00 92.62           O  
-ATOM    773  N   ASP A 102     -43.555  -4.553  -1.827  1.00 93.24           N  
-ATOM    774  CA  ASP A 102     -43.429  -3.646  -2.963  1.00 93.24           C  
-ATOM    775  C   ASP A 102     -42.412  -2.543  -2.675  1.00 93.24           C  
-ATOM    776  CB  ASP A 102     -44.786  -3.032  -3.313  1.00 93.24           C  
-ATOM    777  O   ASP A 102     -41.635  -2.163  -3.553  1.00 93.24           O  
-ATOM    778  CG  ASP A 102     -44.771  -2.272  -4.628  1.00 93.24           C  
-ATOM    779  OD1 ASP A 102     -44.470  -2.878  -5.679  1.00 93.24           O  
-ATOM    780  OD2 ASP A 102     -45.061  -1.056  -4.613  1.00 93.24           O  
-ATOM    781  N   ASP A 103     -42.355  -2.065  -1.440  1.00 95.03           N  
-ATOM    782  CA  ASP A 103     -41.382  -1.054  -1.038  1.00 95.03           C  
-ATOM    783  C   ASP A 103     -39.957  -1.591  -1.143  1.00 95.03           C  
-ATOM    784  CB  ASP A 103     -41.661  -0.579   0.390  1.00 95.03           C  
-ATOM    785  O   ASP A 103     -39.045  -0.871  -1.557  1.00 95.03           O  
-ATOM    786  CG  ASP A 103     -42.923   0.259   0.500  1.00 95.03           C  
-ATOM    787  OD1 ASP A 103     -43.232   1.023  -0.441  1.00 95.03           O  
-ATOM    788  OD2 ASP A 103     -43.613   0.158   1.537  1.00 95.03           O  
-ATOM    789  N   ALA A 104     -39.813  -2.849  -0.750  1.00 94.04           N  
-ATOM    790  CA  ALA A 104     -38.503  -3.488  -0.844  1.00 94.04           C  
-ATOM    791  C   ALA A 104     -38.019  -3.539  -2.290  1.00 94.04           C  
-ATOM    792  CB  ALA A 104     -38.553  -4.895  -0.252  1.00 94.04           C  
-ATOM    793  O   ALA A 104     -36.853  -3.253  -2.572  1.00 94.04           O  
-ATOM    794  N   ARG A 105     -38.946  -3.873  -3.228  1.00 93.17           N  
-ATOM    795  CA  ARG A 105     -38.615  -3.894  -4.649  1.00 93.17           C  
-ATOM    796  C   ARG A 105     -38.228  -2.504  -5.141  1.00 93.17           C  
-ATOM    797  CB  ARG A 105     -39.792  -4.431  -5.467  1.00 93.17           C  
-ATOM    798  O   ARG A 105     -37.241  -2.348  -5.864  1.00 93.17           O  
-ATOM    799  CG  ARG A 105     -39.983  -5.935  -5.357  1.00 93.17           C  
-ATOM    800  CD  ARG A 105     -41.012  -6.447  -6.355  1.00 93.17           C  
-ATOM    801  NE  ARG A 105     -42.149  -7.071  -5.684  1.00 93.17           N  
-ATOM    802  NH1 ARG A 105     -43.715  -5.585  -6.506  1.00 93.17           N  
-ATOM    803  NH2 ARG A 105     -44.364  -7.290  -5.119  1.00 93.17           N  
-ATOM    804  CZ  ARG A 105     -43.407  -6.647  -5.771  1.00 93.17           C  
-ATOM    805  N   GLN A 106     -38.964  -1.514  -4.690  1.00 93.51           N  
-ATOM    806  CA  GLN A 106     -38.698  -0.125  -5.051  1.00 93.51           C  
-ATOM    807  C   GLN A 106     -37.349   0.337  -4.507  1.00 93.51           C  
-ATOM    808  CB  GLN A 106     -39.812   0.787  -4.535  1.00 93.51           C  
-ATOM    809  O   GLN A 106     -36.642   1.108  -5.159  1.00 93.51           O  
-ATOM    810  CG  GLN A 106     -41.110   0.681  -5.325  1.00 93.51           C  
-ATOM    811  CD  GLN A 106     -42.171   1.651  -4.844  1.00 93.51           C  
-ATOM    812  NE2 GLN A 106     -43.435   1.304  -5.062  1.00 93.51           N  
-ATOM    813  OE1 GLN A 106     -41.858   2.705  -4.279  1.00 93.51           O  
-ATOM    814  N   LEU A 107     -37.035  -0.064  -3.289  1.00 94.07           N  
-ATOM    815  CA  LEU A 107     -35.763   0.291  -2.669  1.00 94.07           C  
-ATOM    816  C   LEU A 107     -34.593  -0.101  -3.566  1.00 94.07           C  
-ATOM    817  CB  LEU A 107     -35.624  -0.387  -1.304  1.00 94.07           C  
-ATOM    818  O   LEU A 107     -33.692   0.706  -3.806  1.00 94.07           O  
-ATOM    819  CG  LEU A 107     -34.271  -0.237  -0.606  1.00 94.07           C  
-ATOM    820  CD1 LEU A 107     -34.049   1.213  -0.188  1.00 94.07           C  
-ATOM    821  CD2 LEU A 107     -34.185  -1.165   0.600  1.00 94.07           C  
-ATOM    822  N   PHE A 108     -34.625  -1.334  -4.129  1.00 92.38           N  
-ATOM    823  CA  PHE A 108     -33.528  -1.846  -4.940  1.00 92.38           C  
-ATOM    824  C   PHE A 108     -33.426  -1.085  -6.256  1.00 92.38           C  
-ATOM    825  CB  PHE A 108     -33.712  -3.343  -5.212  1.00 92.38           C  
-ATOM    826  O   PHE A 108     -32.325  -0.794  -6.727  1.00 92.38           O  
-ATOM    827  CG  PHE A 108     -33.367  -4.220  -4.039  1.00 92.38           C  
-ATOM    828  CD1 PHE A 108     -32.041  -4.438  -3.683  1.00 92.38           C  
-ATOM    829  CD2 PHE A 108     -34.368  -4.827  -3.293  1.00 92.38           C  
-ATOM    830  CE1 PHE A 108     -31.719  -5.249  -2.598  1.00 92.38           C  
-ATOM    831  CE2 PHE A 108     -34.053  -5.640  -2.207  1.00 92.38           C  
-ATOM    832  CZ  PHE A 108     -32.728  -5.850  -1.862  1.00 92.38           C  
-ATOM    833  N   VAL A 109     -34.550  -0.659  -6.808  1.00 91.39           N  
-ATOM    834  CA  VAL A 109     -34.596   0.081  -8.064  1.00 91.39           C  
-ATOM    835  C   VAL A 109     -34.062   1.496  -7.851  1.00 91.39           C  
-ATOM    836  CB  VAL A 109     -36.029   0.134  -8.639  1.00 91.39           C  
-ATOM    837  O   VAL A 109     -33.183   1.952  -8.586  1.00 91.39           O  
-ATOM    838  CG1 VAL A 109     -36.092   1.065  -9.849  1.00 91.39           C  
-ATOM    839  CG2 VAL A 109     -36.504  -1.269  -9.016  1.00 91.39           C  
-ATOM    840  N   LEU A 110     -34.507   2.132  -6.786  1.00 90.70           N  
-ATOM    841  CA  LEU A 110     -34.122   3.514  -6.520  1.00 90.70           C  
-ATOM    842  C   LEU A 110     -32.665   3.597  -6.076  1.00 90.70           C  
-ATOM    843  CB  LEU A 110     -35.029   4.126  -5.450  1.00 90.70           C  
-ATOM    844  O   LEU A 110     -31.953   4.535  -6.441  1.00 90.70           O  
-ATOM    845  CG  LEU A 110     -36.481   4.380  -5.856  1.00 90.70           C  
-ATOM    846  CD1 LEU A 110     -37.298   4.835  -4.651  1.00 90.70           C  
-ATOM    847  CD2 LEU A 110     -36.551   5.413  -6.976  1.00 90.70           C  
-ATOM    848  N   ALA A 111     -32.284   2.638  -5.257  1.00 89.41           N  
-ATOM    849  CA  ALA A 111     -30.904   2.605  -4.779  1.00 89.41           C  
-ATOM    850  C   ALA A 111     -29.927   2.425  -5.937  1.00 89.41           C  
-ATOM    851  CB  ALA A 111     -30.723   1.487  -3.755  1.00 89.41           C  
-ATOM    852  O   ALA A 111     -28.840   3.008  -5.937  1.00 89.41           O  
-ATOM    853  N   GLY A 112     -30.348   1.629  -6.940  1.00 85.24           N  
-ATOM    854  CA  GLY A 112     -29.516   1.382  -8.107  1.00 85.24           C  
-ATOM    855  C   GLY A 112     -29.366   2.599  -9.000  1.00 85.24           C  
-ATOM    856  O   GLY A 112     -28.345   2.760  -9.672  1.00 85.24           O  
-ATOM    857  N   ALA A 113     -30.411   3.500  -8.975  1.00 85.08           N  
-ATOM    858  CA  ALA A 113     -30.427   4.687  -9.826  1.00 85.08           C  
-ATOM    859  C   ALA A 113     -29.919   5.911  -9.071  1.00 85.08           C  
-ATOM    860  CB  ALA A 113     -31.836   4.940 -10.358  1.00 85.08           C  
-ATOM    861  O   ALA A 113     -29.778   6.991  -9.650  1.00 85.08           O  
-ATOM    862  N   ALA A 114     -29.621   5.723  -7.775  1.00 81.41           N  
-ATOM    863  CA  ALA A 114     -29.291   6.863  -6.923  1.00 81.41           C  
-ATOM    864  C   ALA A 114     -27.905   7.411  -7.253  1.00 81.41           C  
-ATOM    865  CB  ALA A 114     -29.365   6.467  -5.451  1.00 81.41           C  
-ATOM    866  O   ALA A 114     -26.968   6.645  -7.492  1.00 81.41           O  
-ATOM    867  N   GLU A 115     -27.867   8.738  -7.471  1.00 78.35           N  
-ATOM    868  CA  GLU A 115     -26.594   9.432  -7.640  1.00 78.35           C  
-ATOM    869  C   GLU A 115     -25.874   9.596  -6.305  1.00 78.35           C  
-ATOM    870  CB  GLU A 115     -26.809  10.799  -8.294  1.00 78.35           C  
-ATOM    871  O   GLU A 115     -26.514   9.710  -5.258  1.00 78.35           O  
-ATOM    872  CG  GLU A 115     -27.269  10.722  -9.743  1.00 78.35           C  
-ATOM    873  CD  GLU A 115     -27.471  12.088 -10.381  1.00 78.35           C  
-ATOM    874  OE1 GLU A 115     -27.938  12.152 -11.541  1.00 78.35           O  
-ATOM    875  OE2 GLU A 115     -27.159  13.101  -9.716  1.00 78.35           O  
-ATOM    876  N   GLU A 116     -24.486   9.581  -6.368  1.00 76.52           N  
-ATOM    877  CA  GLU A 116     -23.669   9.753  -5.170  1.00 76.52           C  
-ATOM    878  C   GLU A 116     -23.948  11.094  -4.499  1.00 76.52           C  
-ATOM    879  CB  GLU A 116     -22.182   9.635  -5.513  1.00 76.52           C  
-ATOM    880  O   GLU A 116     -23.898  12.141  -5.147  1.00 76.52           O  
-ATOM    881  CG  GLU A 116     -21.680   8.200  -5.589  1.00 76.52           C  
-ATOM    882  CD  GLU A 116     -20.191   8.100  -5.881  1.00 76.52           C  
-ATOM    883  OE1 GLU A 116     -19.672   6.967  -6.006  1.00 76.52           O  
-ATOM    884  OE2 GLU A 116     -19.538   9.162  -5.984  1.00 76.52           O  
-ATOM    885  N   GLY A 117     -24.351  11.047  -3.207  1.00 76.67           N  
-ATOM    886  CA  GLY A 117     -24.505  12.232  -2.379  1.00 76.67           C  
-ATOM    887  C   GLY A 117     -25.906  12.813  -2.423  1.00 76.67           C  
-ATOM    888  O   GLY A 117     -26.135  13.930  -1.954  1.00 76.67           O  
-ATOM    889  N   PHE A 118     -26.814  12.086  -3.110  1.00 81.96           N  
-ATOM    890  CA  PHE A 118     -28.176  12.592  -3.231  1.00 81.96           C  
-ATOM    891  C   PHE A 118     -29.184  11.557  -2.749  1.00 81.96           C  
-ATOM    892  CB  PHE A 118     -28.478  12.984  -4.681  1.00 81.96           C  
-ATOM    893  O   PHE A 118     -29.160  10.406  -3.191  1.00 81.96           O  
-ATOM    894  CG  PHE A 118     -29.743  13.781  -4.844  1.00 81.96           C  
-ATOM    895  CD1 PHE A 118     -30.914  13.173  -5.280  1.00 81.96           C  
-ATOM    896  CD2 PHE A 118     -29.762  15.141  -4.561  1.00 81.96           C  
-ATOM    897  CE1 PHE A 118     -32.087  13.909  -5.431  1.00 81.96           C  
-ATOM    898  CE2 PHE A 118     -30.930  15.883  -4.710  1.00 81.96           C  
-ATOM    899  CZ  PHE A 118     -32.091  15.265  -5.146  1.00 81.96           C  
-ATOM    900  N   MET A 119     -30.027  11.961  -1.733  1.00 86.36           N  
-ATOM    901  CA  MET A 119     -31.129  11.137  -1.242  1.00 86.36           C  
-ATOM    902  C   MET A 119     -32.474  11.733  -1.644  1.00 86.36           C  
-ATOM    903  CB  MET A 119     -31.056  10.991   0.279  1.00 86.36           C  
-ATOM    904  O   MET A 119     -32.878  12.773  -1.122  1.00 86.36           O  
-ATOM    905  CG  MET A 119     -32.072  10.015   0.850  1.00 86.36           C  
-ATOM    906  SD  MET A 119     -31.708   9.561   2.591  1.00 86.36           S  
-ATOM    907  CE  MET A 119     -30.459   8.271   2.331  1.00 86.36           C  
-ATOM    908  N   THR A 120     -33.195  11.047  -2.577  1.00 87.94           N  
-ATOM    909  CA  THR A 120     -34.488  11.564  -3.014  1.00 87.94           C  
-ATOM    910  C   THR A 120     -35.544  11.361  -1.931  1.00 87.94           C  
-ATOM    911  CB  THR A 120     -34.949  10.886  -4.318  1.00 87.94           C  
-ATOM    912  O   THR A 120     -35.419  10.466  -1.093  1.00 87.94           O  
-ATOM    913  CG2 THR A 120     -33.937  11.105  -5.438  1.00 87.94           C  
-ATOM    914  OG1 THR A 120     -35.097   9.479  -4.092  1.00 87.94           O  
-ATOM    915  N   ALA A 121     -36.559  12.229  -1.902  1.00 88.56           N  
-ATOM    916  CA  ALA A 121     -37.652  12.135  -0.937  1.00 88.56           C  
-ATOM    917  C   ALA A 121     -38.369  10.792  -1.050  1.00 88.56           C  
-ATOM    918  CB  ALA A 121     -38.641  13.280  -1.139  1.00 88.56           C  
-ATOM    919  O   ALA A 121     -38.796  10.223  -0.043  1.00 88.56           O  
-ATOM    920  N   GLU A 122     -38.416  10.363  -2.302  1.00 91.12           N  
-ATOM    921  CA  GLU A 122     -39.064   9.080  -2.559  1.00 91.12           C  
-ATOM    922  C   GLU A 122     -38.288   7.932  -1.920  1.00 91.12           C  
-ATOM    923  CB  GLU A 122     -39.210   8.844  -4.064  1.00 91.12           C  
-ATOM    924  O   GLU A 122     -38.876   7.061  -1.276  1.00 91.12           O  
-ATOM    925  CG  GLU A 122     -40.042   7.619  -4.416  1.00 91.12           C  
-ATOM    926  CD  GLU A 122     -40.196   7.409  -5.914  1.00 91.12           C  
-ATOM    927  OE1 GLU A 122     -40.884   6.446  -6.324  1.00 91.12           O  
-ATOM    928  OE2 GLU A 122     -39.623   8.212  -6.683  1.00 91.12           O  
-ATOM    929  N   LEU A 123     -36.994   7.869  -2.141  1.00 92.81           N  
-ATOM    930  CA  LEU A 123     -36.132   6.842  -1.565  1.00 92.81           C  
-ATOM    931  C   LEU A 123     -36.177   6.886  -0.042  1.00 92.81           C  
-ATOM    932  CB  LEU A 123     -34.691   7.017  -2.051  1.00 92.81           C  
-ATOM    933  O   LEU A 123     -36.323   5.850   0.610  1.00 92.81           O  
-ATOM    934  CG  LEU A 123     -33.670   6.009  -1.522  1.00 92.81           C  
-ATOM    935  CD1 LEU A 123     -34.112   4.586  -1.848  1.00 92.81           C  
-ATOM    936  CD2 LEU A 123     -32.288   6.292  -2.102  1.00 92.81           C  
-ATOM    937  N   ALA A 124     -36.062   8.063   0.510  1.00 93.59           N  
-ATOM    938  CA  ALA A 124     -36.114   8.237   1.959  1.00 93.59           C  
-ATOM    939  C   ALA A 124     -37.439   7.734   2.525  1.00 93.59           C  
-ATOM    940  CB  ALA A 124     -35.905   9.704   2.326  1.00 93.59           C  
-ATOM    941  O   ALA A 124     -37.469   7.103   3.584  1.00 93.59           O  
-ATOM    942  N   GLY A 125     -38.505   8.058   1.759  1.00 94.94           N  
-ATOM    943  CA  GLY A 125     -39.821   7.598   2.174  1.00 94.94           C  
-ATOM    944  C   GLY A 125     -39.938   6.086   2.217  1.00 94.94           C  
-ATOM    945  O   GLY A 125     -40.482   5.527   3.172  1.00 94.94           O  
-ATOM    946  N   VAL A 126     -39.421   5.412   1.244  1.00 95.77           N  
-ATOM    947  CA  VAL A 126     -39.448   3.956   1.154  1.00 95.77           C  
-ATOM    948  C   VAL A 126     -38.638   3.351   2.299  1.00 95.77           C  
-ATOM    949  CB  VAL A 126     -38.903   3.461  -0.204  1.00 95.77           C  
-ATOM    950  O   VAL A 126     -39.090   2.413   2.960  1.00 95.77           O  
-ATOM    951  CG1 VAL A 126     -38.692   1.948  -0.183  1.00 95.77           C  
-ATOM    952  CG2 VAL A 126     -39.852   3.855  -1.335  1.00 95.77           C  
-ATOM    953  N   ILE A 127     -37.506   3.899   2.570  1.00 96.83           N  
-ATOM    954  CA  ILE A 127     -36.633   3.399   3.626  1.00 96.83           C  
-ATOM    955  C   ILE A 127     -37.320   3.556   4.981  1.00 96.83           C  
-ATOM    956  CB  ILE A 127     -35.272   4.130   3.628  1.00 96.83           C  
-ATOM    957  O   ILE A 127     -37.293   2.640   5.807  1.00 96.83           O  
-ATOM    958  CG1 ILE A 127     -34.493   3.811   2.346  1.00 96.83           C  
-ATOM    959  CG2 ILE A 127     -34.459   3.754   4.870  1.00 96.83           C  
-ATOM    960  CD1 ILE A 127     -33.190   4.585   2.205  1.00 96.83           C  
-ATOM    961  N   LYS A 128     -37.908   4.656   5.085  1.00 96.56           N  
-ATOM    962  CA  LYS A 128     -38.601   4.955   6.335  1.00 96.56           C  
-ATOM    963  C   LYS A 128     -39.725   3.955   6.593  1.00 96.56           C  
-ATOM    964  CB  LYS A 128     -39.161   6.378   6.311  1.00 96.56           C  
-ATOM    965  O   LYS A 128     -39.867   3.446   7.706  1.00 96.56           O  
-ATOM    966  CG  LYS A 128     -39.738   6.838   7.642  1.00 96.56           C  
-ATOM    967  CD  LYS A 128     -40.198   8.289   7.580  1.00 96.56           C  
-ATOM    968  CE  LYS A 128     -40.779   8.749   8.910  1.00 96.56           C  
-ATOM    969  NZ  LYS A 128     -41.195  10.183   8.866  1.00 96.56           N  
-ATOM    970  N   ARG A 129     -40.559   3.697   5.642  1.00 96.27           N  
-ATOM    971  CA  ARG A 129     -41.662   2.751   5.774  1.00 96.27           C  
-ATOM    972  C   ARG A 129     -41.146   1.343   6.055  1.00 96.27           C  
-ATOM    973  CB  ARG A 129     -42.525   2.750   4.511  1.00 96.27           C  
-ATOM    974  O   ARG A 129     -41.703   0.627   6.890  1.00 96.27           O  
-ATOM    975  CG  ARG A 129     -43.390   3.991   4.355  1.00 96.27           C  
-ATOM    976  CD  ARG A 129     -44.450   3.808   3.277  1.00 96.27           C  
-ATOM    977  NE  ARG A 129     -43.853   3.659   1.953  1.00 96.27           N  
-ATOM    978  NH1 ARG A 129     -43.797   5.923   1.497  1.00 96.27           N  
-ATOM    979  NH2 ARG A 129     -43.015   4.418  -0.045  1.00 96.27           N  
-ATOM    980  CZ  ARG A 129     -43.556   4.667   1.138  1.00 96.27           C  
-ATOM    981  N   LEU A 130     -40.090   1.004   5.411  1.00 97.26           N  
-ATOM    982  CA  LEU A 130     -39.504  -0.316   5.615  1.00 97.26           C  
-ATOM    983  C   LEU A 130     -38.939  -0.448   7.026  1.00 97.26           C  
-ATOM    984  CB  LEU A 130     -38.402  -0.578   4.585  1.00 97.26           C  
-ATOM    985  O   LEU A 130     -39.133  -1.473   7.683  1.00 97.26           O  
-ATOM    986  CG  LEU A 130     -38.865  -0.887   3.161  1.00 97.26           C  
-ATOM    987  CD1 LEU A 130     -37.682  -0.846   2.198  1.00 97.26           C  
-ATOM    988  CD2 LEU A 130     -39.558  -2.244   3.106  1.00 97.26           C  
-ATOM    989  N   TRP A 131     -38.233   0.574   7.457  1.00 97.68           N  
-ATOM    990  CA  TRP A 131     -37.577   0.541   8.760  1.00 97.68           C  
-ATOM    991  C   TRP A 131     -38.603   0.436   9.883  1.00 97.68           C  
-ATOM    992  CB  TRP A 131     -36.710   1.787   8.958  1.00 97.68           C  
-ATOM    993  O   TRP A 131     -38.354  -0.213  10.902  1.00 97.68           O  
-ATOM    994  CG  TRP A 131     -36.009   1.837  10.282  1.00 97.68           C  
-ATOM    995  CD1 TRP A 131     -36.087   2.830  11.219  1.00 97.68           C  
-ATOM    996  CD2 TRP A 131     -35.119   0.851  10.815  1.00 97.68           C  
-ATOM    997  CE2 TRP A 131     -34.694   1.313  12.081  1.00 97.68           C  
-ATOM    998  CE3 TRP A 131     -34.640  -0.379  10.345  1.00 97.68           C  
-ATOM    999  NE1 TRP A 131     -35.298   2.521  12.303  1.00 97.68           N  
-ATOM   1000  CH2 TRP A 131     -33.357  -0.614  12.399  1.00 97.68           C  
-ATOM   1001  CZ2 TRP A 131     -33.811   0.585  12.882  1.00 97.68           C  
-ATOM   1002  CZ3 TRP A 131     -33.761  -1.101  11.144  1.00 97.68           C  
-ATOM   1003  N   LYS A 132     -39.847   0.981   9.741  1.00 96.67           N  
-ATOM   1004  CA  LYS A 132     -40.910   0.962  10.742  1.00 96.67           C  
-ATOM   1005  C   LYS A 132     -41.630  -0.384  10.753  1.00 96.67           C  
-ATOM   1006  CB  LYS A 132     -41.910   2.090  10.484  1.00 96.67           C  
-ATOM   1007  O   LYS A 132     -42.354  -0.698  11.700  1.00 96.67           O  
-ATOM   1008  CG  LYS A 132     -41.396   3.471  10.862  1.00 96.67           C  
-ATOM   1009  CD  LYS A 132     -42.482   4.529  10.723  1.00 96.67           C  
-ATOM   1010  CE  LYS A 132     -41.974   5.909  11.118  1.00 96.67           C  
-ATOM   1011  NZ  LYS A 132     -43.023   6.957  10.943  1.00 96.67           N  
-ATOM   1012  N   ASP A 133     -41.406  -1.147   9.773  1.00 97.95           N  
-ATOM   1013  CA  ASP A 133     -42.063  -2.446   9.661  1.00 97.95           C  
-ATOM   1014  C   ASP A 133     -41.586  -3.399  10.755  1.00 97.95           C  
-ATOM   1015  CB  ASP A 133     -41.810  -3.059   8.282  1.00 97.95           C  
-ATOM   1016  O   ASP A 133     -40.390  -3.475  11.040  1.00 97.95           O  
-ATOM   1017  CG  ASP A 133     -42.450  -4.425   8.115  1.00 97.95           C  
-ATOM   1018  OD1 ASP A 133     -41.743  -5.449   8.236  1.00 97.95           O  
-ATOM   1019  OD2 ASP A 133     -43.672  -4.479   7.856  1.00 97.95           O  
-ATOM   1020  N   SER A 134     -42.557  -4.170  11.343  1.00 96.69           N  
-ATOM   1021  CA  SER A 134     -42.273  -5.070  12.456  1.00 96.69           C  
-ATOM   1022  C   SER A 134     -41.357  -6.211  12.024  1.00 96.69           C  
-ATOM   1023  CB  SER A 134     -43.571  -5.638  13.032  1.00 96.69           C  
-ATOM   1024  O   SER A 134     -40.494  -6.645  12.790  1.00 96.69           O  
-ATOM   1025  OG  SER A 134     -44.311  -6.316  12.031  1.00 96.69           O  
-ATOM   1026  N   GLY A 135     -41.574  -6.728  10.738  1.00 96.68           N  
-ATOM   1027  CA  GLY A 135     -40.699  -7.768  10.221  1.00 96.68           C  
-ATOM   1028  C   GLY A 135     -39.264  -7.308  10.045  1.00 96.68           C  
-ATOM   1029  O   GLY A 135     -38.328  -8.026  10.402  1.00 96.68           O  
-ATOM   1030  N   VAL A 136     -39.120  -6.072   9.537  1.00 97.37           N  
-ATOM   1031  CA  VAL A 136     -37.794  -5.496   9.344  1.00 97.37           C  
-ATOM   1032  C   VAL A 136     -37.116  -5.295  10.697  1.00 97.37           C  
-ATOM   1033  CB  VAL A 136     -37.864  -4.155   8.578  1.00 97.37           C  
-ATOM   1034  O   VAL A 136     -35.940  -5.628  10.865  1.00 97.37           O  
-ATOM   1035  CG1 VAL A 136     -36.495  -3.479   8.548  1.00 97.37           C  
-ATOM   1036  CG2 VAL A 136     -38.385  -4.378   7.160  1.00 97.37           C  
-ATOM   1037  N   GLN A 137     -37.843  -4.823  11.688  1.00 97.48           N  
-ATOM   1038  CA  GLN A 137     -37.314  -4.612  13.032  1.00 97.48           C  
-ATOM   1039  C   GLN A 137     -36.904  -5.934  13.675  1.00 97.48           C  
-ATOM   1040  CB  GLN A 137     -38.344  -3.899  13.908  1.00 97.48           C  
-ATOM   1041  O   GLN A 137     -35.879  -6.008  14.355  1.00 97.48           O  
-ATOM   1042  CG  GLN A 137     -38.568  -2.440  13.532  1.00 97.48           C  
-ATOM   1043  CD  GLN A 137     -37.328  -1.588  13.723  1.00 97.48           C  
-ATOM   1044  NE2 GLN A 137     -37.016  -0.763  12.729  1.00 97.48           N  
-ATOM   1045  OE1 GLN A 137     -36.656  -1.669  14.756  1.00 97.48           O  
-ATOM   1046  N   ALA A 138     -37.734  -6.954  13.402  1.00 94.93           N  
-ATOM   1047  CA  ALA A 138     -37.425  -8.286  13.918  1.00 94.93           C  
-ATOM   1048  C   ALA A 138     -36.118  -8.811  13.332  1.00 94.93           C  
-ATOM   1049  CB  ALA A 138     -38.567  -9.252  13.613  1.00 94.93           C  
-ATOM   1050  O   ALA A 138     -35.307  -9.409  14.044  1.00 94.93           O  
-ATOM   1051  N   CYS A 139     -35.928  -8.536  12.053  1.00 96.51           N  
-ATOM   1052  CA  CYS A 139     -34.707  -8.966  11.380  1.00 96.51           C  
-ATOM   1053  C   CYS A 139     -33.495  -8.210  11.914  1.00 96.51           C  
-ATOM   1054  CB  CYS A 139     -34.825  -8.757   9.871  1.00 96.51           C  
-ATOM   1055  O   CYS A 139     -32.428  -8.796  12.103  1.00 96.51           O  
-ATOM   1056  SG  CYS A 139     -33.448  -9.451   8.930  1.00 96.51           S  
-ATOM   1057  N   PHE A 140     -33.635  -6.945  12.131  1.00 95.43           N  
-ATOM   1058  CA  PHE A 140     -32.575  -6.117  12.693  1.00 95.43           C  
-ATOM   1059  C   PHE A 140     -32.123  -6.659  14.044  1.00 95.43           C  
-ATOM   1060  CB  PHE A 140     -33.044  -4.666  12.841  1.00 95.43           C  
-ATOM   1061  O   PHE A 140     -30.928  -6.667  14.348  1.00 95.43           O  
-ATOM   1062  CG  PHE A 140     -32.061  -3.779  13.555  1.00 95.43           C  
-ATOM   1063  CD1 PHE A 140     -32.310  -3.344  14.851  1.00 95.43           C  
-ATOM   1064  CD2 PHE A 140     -30.886  -3.381  12.931  1.00 95.43           C  
-ATOM   1065  CE1 PHE A 140     -31.401  -2.523  15.515  1.00 95.43           C  
-ATOM   1066  CE2 PHE A 140     -29.973  -2.561  13.588  1.00 95.43           C  
-ATOM   1067  CZ  PHE A 140     -30.233  -2.132  14.880  1.00 95.43           C  
-ATOM   1068  N   ASN A 141     -33.036  -7.161  14.860  1.00 92.70           N  
-ATOM   1069  CA  ASN A 141     -32.733  -7.700  16.181  1.00 92.70           C  
-ATOM   1070  C   ASN A 141     -31.935  -8.997  16.088  1.00 92.70           C  
-ATOM   1071  CB  ASN A 141     -34.021  -7.926  16.977  1.00 92.70           C  
-ATOM   1072  O   ASN A 141     -31.360  -9.450  17.079  1.00 92.70           O  
-ATOM   1073  CG  ASN A 141     -34.656  -6.629  17.439  1.00 92.70           C  
-ATOM   1074  ND2 ASN A 141     -35.977  -6.631  17.572  1.00 92.70           N  
-ATOM   1075  OD1 ASN A 141     -33.966  -5.634  17.674  1.00 92.70           O  
-ATOM   1076  N   ARG A 142     -31.853  -9.554  14.883  1.00 92.61           N  
-ATOM   1077  CA  ARG A 142     -31.081 -10.766  14.629  1.00 92.61           C  
-ATOM   1078  C   ARG A 142     -29.834 -10.459  13.807  1.00 92.61           C  
-ATOM   1079  CB  ARG A 142     -31.940 -11.809  13.910  1.00 92.61           C  
-ATOM   1080  O   ARG A 142     -29.421 -11.266  12.972  1.00 92.61           O  
-ATOM   1081  CG  ARG A 142     -33.107 -12.323  14.737  1.00 92.61           C  
-ATOM   1082  CD  ARG A 142     -33.989 -13.272  13.938  1.00 92.61           C  
-ATOM   1083  NE  ARG A 142     -33.266 -14.478  13.544  1.00 92.61           N  
-ATOM   1084  NH1 ARG A 142     -34.986 -15.343  12.268  1.00 92.61           N  
-ATOM   1085  NH2 ARG A 142     -33.011 -16.488  12.464  1.00 92.61           N  
-ATOM   1086  CZ  ARG A 142     -33.756 -15.434  12.759  1.00 92.61           C  
-ATOM   1087  N   SER A 143     -29.409  -9.155  13.952  1.00 91.73           N  
-ATOM   1088  CA  SER A 143     -28.330  -8.667  13.099  1.00 91.73           C  
-ATOM   1089  C   SER A 143     -27.026  -9.408  13.378  1.00 91.73           C  
-ATOM   1090  CB  SER A 143     -28.125  -7.165  13.300  1.00 91.73           C  
-ATOM   1091  O   SER A 143     -26.076  -9.317  12.598  1.00 91.73           O  
-ATOM   1092  OG  SER A 143     -27.843  -6.873  14.657  1.00 91.73           O  
-ATOM   1093  N   ARG A 144     -27.007 -10.259  14.457  1.00 88.02           N  
-ATOM   1094  CA  ARG A 144     -25.817 -11.057  14.731  1.00 88.02           C  
-ATOM   1095  C   ARG A 144     -25.653 -12.168  13.698  1.00 88.02           C  
-ATOM   1096  CB  ARG A 144     -25.882 -11.656  16.138  1.00 88.02           C  
-ATOM   1097  O   ARG A 144     -24.575 -12.751  13.572  1.00 88.02           O  
-ATOM   1098  CG  ARG A 144     -27.004 -12.665  16.327  1.00 88.02           C  
-ATOM   1099  CD  ARG A 144     -27.015 -13.238  17.737  1.00 88.02           C  
-ATOM   1100  NE  ARG A 144     -28.099 -14.199  17.919  1.00 88.02           N  
-ATOM   1101  NH1 ARG A 144     -28.156 -14.010  20.221  1.00 88.02           N  
-ATOM   1102  NH2 ARG A 144     -29.601 -15.429  19.146  1.00 88.02           N  
-ATOM   1103  CZ  ARG A 144     -28.616 -14.544  19.095  1.00 88.02           C  
-ATOM   1104  N   GLU A 145     -26.700 -12.492  12.894  1.00 90.20           N  
-ATOM   1105  CA  GLU A 145     -26.741 -13.614  11.960  1.00 90.20           C  
-ATOM   1106  C   GLU A 145     -26.267 -13.193  10.571  1.00 90.20           C  
-ATOM   1107  CB  GLU A 145     -28.154 -14.196  11.880  1.00 90.20           C  
-ATOM   1108  O   GLU A 145     -26.079 -14.036   9.692  1.00 90.20           O  
-ATOM   1109  CG  GLU A 145     -28.644 -14.804  13.186  1.00 90.20           C  
-ATOM   1110  CD  GLU A 145     -30.058 -15.356  13.098  1.00 90.20           C  
-ATOM   1111  OE1 GLU A 145     -30.859 -15.124  14.032  1.00 90.20           O  
-ATOM   1112  OE2 GLU A 145     -30.367 -16.026  12.088  1.00 90.20           O  
-ATOM   1113  N   TYR A 146     -26.134 -11.903  10.382  1.00 92.64           N  
-ATOM   1114  CA  TYR A 146     -25.606 -11.392   9.122  1.00 92.64           C  
-ATOM   1115  C   TYR A 146     -24.766 -10.141   9.350  1.00 92.64           C  
-ATOM   1116  CB  TYR A 146     -26.746 -11.084   8.147  1.00 92.64           C  
-ATOM   1117  O   TYR A 146     -24.705  -9.621  10.466  1.00 92.64           O  
-ATOM   1118  CG  TYR A 146     -27.716 -10.045   8.655  1.00 92.64           C  
-ATOM   1119  CD1 TYR A 146     -28.730 -10.387   9.546  1.00 92.64           C  
-ATOM   1120  CD2 TYR A 146     -27.620  -8.719   8.244  1.00 92.64           C  
-ATOM   1121  CE1 TYR A 146     -29.627  -9.433  10.015  1.00 92.64           C  
-ATOM   1122  CE2 TYR A 146     -28.512  -7.757   8.707  1.00 92.64           C  
-ATOM   1123  OH  TYR A 146     -30.395  -7.174  10.053  1.00 92.64           O  
-ATOM   1124  CZ  TYR A 146     -29.510  -8.123   9.591  1.00 92.64           C  
-ATOM   1125  N   GLN A 147     -24.113  -9.612   8.284  1.00 91.01           N  
-ATOM   1126  CA  GLN A 147     -23.211  -8.473   8.412  1.00 91.01           C  
-ATOM   1127  C   GLN A 147     -23.966  -7.155   8.270  1.00 91.01           C  
-ATOM   1128  CB  GLN A 147     -22.094  -8.553   7.371  1.00 91.01           C  
-ATOM   1129  O   GLN A 147     -24.534  -6.869   7.214  1.00 91.01           O  
-ATOM   1130  CG  GLN A 147     -21.237  -9.806   7.483  1.00 91.01           C  
-ATOM   1131  CD  GLN A 147     -20.443  -9.861   8.775  1.00 91.01           C  
-ATOM   1132  NE2 GLN A 147     -20.243 -11.067   9.297  1.00 91.01           N  
-ATOM   1133  OE1 GLN A 147     -20.014  -8.829   9.300  1.00 91.01           O  
-ATOM   1134  N   LEU A 148     -23.985  -6.348   9.422  1.00 93.80           N  
-ATOM   1135  CA  LEU A 148     -24.670  -5.060   9.433  1.00 93.80           C  
-ATOM   1136  C   LEU A 148     -23.803  -3.989  10.086  1.00 93.80           C  
-ATOM   1137  CB  LEU A 148     -26.007  -5.171  10.170  1.00 93.80           C  
-ATOM   1138  O   LEU A 148     -23.166  -4.240  11.111  1.00 93.80           O  
-ATOM   1139  CG  LEU A 148     -26.875  -3.912  10.191  1.00 93.80           C  
-ATOM   1140  CD1 LEU A 148     -27.350  -3.572   8.782  1.00 93.80           C  
-ATOM   1141  CD2 LEU A 148     -28.062  -4.096  11.131  1.00 93.80           C  
-ATOM   1142  N   ASN A 149     -23.816  -2.848   9.488  1.00 90.80           N  
-ATOM   1143  CA  ASN A 149     -23.082  -1.706  10.024  1.00 90.80           C  
-ATOM   1144  C   ASN A 149     -23.561  -1.340  11.425  1.00 90.80           C  
-ATOM   1145  CB  ASN A 149     -23.206  -0.502   9.088  1.00 90.80           C  
-ATOM   1146  O   ASN A 149     -24.765  -1.306  11.685  1.00 90.80           O  
-ATOM   1147  CG  ASN A 149     -22.243   0.615   9.443  1.00 90.80           C  
-ATOM   1148  ND2 ASN A 149     -22.141   1.609   8.570  1.00 90.80           N  
-ATOM   1149  OD1 ASN A 149     -21.597   0.583  10.494  1.00 90.80           O  
-ATOM   1150  N   ASP A 150     -22.647  -0.986  12.320  1.00 90.64           N  
-ATOM   1151  CA  ASP A 150     -22.967  -0.686  13.712  1.00 90.64           C  
-ATOM   1152  C   ASP A 150     -23.801   0.588  13.822  1.00 90.64           C  
-ATOM   1153  CB  ASP A 150     -21.687  -0.549  14.540  1.00 90.64           C  
-ATOM   1154  O   ASP A 150     -24.604   0.734  14.746  1.00 90.64           O  
-ATOM   1155  CG  ASP A 150     -20.987  -1.876  14.773  1.00 90.64           C  
-ATOM   1156  OD1 ASP A 150     -21.627  -2.939  14.622  1.00 90.64           O  
-ATOM   1157  OD2 ASP A 150     -19.784  -1.859  15.113  1.00 90.64           O  
-ATOM   1158  N   SER A 151     -23.618   1.467  12.823  1.00 93.44           N  
-ATOM   1159  CA  SER A 151     -24.262   2.776  12.874  1.00 93.44           C  
-ATOM   1160  C   SER A 151     -25.625   2.748  12.190  1.00 93.44           C  
-ATOM   1161  CB  SER A 151     -23.375   3.836  12.219  1.00 93.44           C  
-ATOM   1162  O   SER A 151     -26.237   3.796  11.971  1.00 93.44           O  
-ATOM   1163  OG  SER A 151     -22.161   3.987  12.934  1.00 93.44           O  
-ATOM   1164  N   ALA A 152     -26.062   1.517  11.783  1.00 94.88           N  
-ATOM   1165  CA  ALA A 152     -27.301   1.380  11.023  1.00 94.88           C  
-ATOM   1166  C   ALA A 152     -28.472   2.022  11.762  1.00 94.88           C  
-ATOM   1167  CB  ALA A 152     -27.595  -0.092  10.744  1.00 94.88           C  
-ATOM   1168  O   ALA A 152     -29.190   2.852  11.200  1.00 94.88           O  
-ATOM   1169  N   ALA A 153     -28.607   1.676  13.026  1.00 94.54           N  
-ATOM   1170  CA  ALA A 153     -29.733   2.167  13.816  1.00 94.54           C  
-ATOM   1171  C   ALA A 153     -29.653   3.679  14.004  1.00 94.54           C  
-ATOM   1172  CB  ALA A 153     -29.777   1.467  15.173  1.00 94.54           C  
-ATOM   1173  O   ALA A 153     -30.668   4.375  13.928  1.00 94.54           O  
-ATOM   1174  N   TYR A 154     -28.510   4.193  14.148  1.00 95.79           N  
-ATOM   1175  CA  TYR A 154     -28.285   5.622  14.336  1.00 95.79           C  
-ATOM   1176  C   TYR A 154     -28.815   6.417  13.149  1.00 95.79           C  
-ATOM   1177  CB  TYR A 154     -26.793   5.909  14.533  1.00 95.79           C  
-ATOM   1178  O   TYR A 154     -29.576   7.372  13.324  1.00 95.79           O  
-ATOM   1179  CG  TYR A 154     -26.456   7.381  14.549  1.00 95.79           C  
-ATOM   1180  CD1 TYR A 154     -25.973   8.017  13.408  1.00 95.79           C  
-ATOM   1181  CD2 TYR A 154     -26.619   8.136  15.705  1.00 95.79           C  
-ATOM   1182  CE1 TYR A 154     -25.659   9.373  13.419  1.00 95.79           C  
-ATOM   1183  CE2 TYR A 154     -26.308   9.492  15.728  1.00 95.79           C  
-ATOM   1184  OH  TYR A 154     -25.521  11.442  14.598  1.00 95.79           O  
-ATOM   1185  CZ  TYR A 154     -25.830  10.100  14.582  1.00 95.79           C  
-ATOM   1186  N   TYR A 155     -28.482   6.008  11.914  1.00 96.42           N  
-ATOM   1187  CA  TYR A 155     -28.868   6.735  10.709  1.00 96.42           C  
-ATOM   1188  C   TYR A 155     -30.335   6.494  10.374  1.00 96.42           C  
-ATOM   1189  CB  TYR A 155     -27.988   6.322   9.526  1.00 96.42           C  
-ATOM   1190  O   TYR A 155     -31.066   7.432  10.047  1.00 96.42           O  
-ATOM   1191  CG  TYR A 155     -26.567   6.821   9.624  1.00 96.42           C  
-ATOM   1192  CD1 TYR A 155     -26.295   8.159   9.901  1.00 96.42           C  
-ATOM   1193  CD2 TYR A 155     -25.493   5.957   9.439  1.00 96.42           C  
-ATOM   1194  CE1 TYR A 155     -24.987   8.624   9.990  1.00 96.42           C  
-ATOM   1195  CE2 TYR A 155     -24.181   6.411   9.526  1.00 96.42           C  
-ATOM   1196  OH  TYR A 155     -22.642   8.199   9.888  1.00 96.42           O  
-ATOM   1197  CZ  TYR A 155     -23.939   7.744   9.801  1.00 96.42           C  
-ATOM   1198  N   LEU A 156     -30.755   5.227  10.511  1.00 96.47           N  
-ATOM   1199  CA  LEU A 156     -32.115   4.885  10.111  1.00 96.47           C  
-ATOM   1200  C   LEU A 156     -33.135   5.528  11.046  1.00 96.47           C  
-ATOM   1201  CB  LEU A 156     -32.305   3.365  10.099  1.00 96.47           C  
-ATOM   1202  O   LEU A 156     -34.224   5.912  10.614  1.00 96.47           O  
-ATOM   1203  CG  LEU A 156     -31.587   2.602   8.985  1.00 96.47           C  
-ATOM   1204  CD1 LEU A 156     -31.614   1.103   9.266  1.00 96.47           C  
-ATOM   1205  CD2 LEU A 156     -32.220   2.909   7.632  1.00 96.47           C  
-ATOM   1206  N   ASN A 157     -32.772   5.712  12.336  1.00 96.33           N  
-ATOM   1207  CA  ASN A 157     -33.662   6.350  13.301  1.00 96.33           C  
-ATOM   1208  C   ASN A 157     -33.793   7.847  13.040  1.00 96.33           C  
-ATOM   1209  CB  ASN A 157     -33.172   6.101  14.729  1.00 96.33           C  
-ATOM   1210  O   ASN A 157     -34.800   8.459  13.400  1.00 96.33           O  
-ATOM   1211  CG  ASN A 157     -33.428   4.681  15.196  1.00 96.33           C  
-ATOM   1212  ND2 ASN A 157     -32.622   4.213  16.142  1.00 96.33           N  
-ATOM   1213  OD1 ASN A 157     -34.342   4.011  14.710  1.00 96.33           O  
-ATOM   1214  N   ASP A 158     -32.823   8.438  12.430  1.00 94.63           N  
-ATOM   1215  CA  ASP A 158     -32.819   9.879  12.200  1.00 94.63           C  
-ATOM   1216  C   ASP A 158     -32.925  10.199  10.711  1.00 94.63           C  
-ATOM   1217  CB  ASP A 158     -31.554  10.512  12.785  1.00 94.63           C  
-ATOM   1218  O   ASP A 158     -32.327  11.165  10.234  1.00 94.63           O  
-ATOM   1219  CG  ASP A 158     -31.673  10.814  14.268  1.00 94.63           C  
-ATOM   1220  OD1 ASP A 158     -32.799  10.771  14.811  1.00 94.63           O  
-ATOM   1221  OD2 ASP A 158     -30.633  11.100  14.900  1.00 94.63           O  
-ATOM   1222  N   LEU A 159     -33.641   9.422   9.935  1.00 94.06           N  
-ATOM   1223  CA  LEU A 159     -33.754   9.524   8.484  1.00 94.06           C  
-ATOM   1224  C   LEU A 159     -34.398  10.846   8.081  1.00 94.06           C  
-ATOM   1225  CB  LEU A 159     -34.569   8.354   7.926  1.00 94.06           C  
-ATOM   1226  O   LEU A 159     -34.052  11.420   7.046  1.00 94.06           O  
-ATOM   1227  CG  LEU A 159     -34.520   8.156   6.410  1.00 94.06           C  
-ATOM   1228  CD1 LEU A 159     -33.098   7.832   5.964  1.00 94.06           C  
-ATOM   1229  CD2 LEU A 159     -35.483   7.054   5.983  1.00 94.06           C  
-ATOM   1230  N   ASP A 160     -35.251  11.381   8.884  1.00 92.51           N  
-ATOM   1231  CA  ASP A 160     -35.931  12.637   8.582  1.00 92.51           C  
-ATOM   1232  C   ASP A 160     -34.939  13.796   8.510  1.00 92.51           C  
-ATOM   1233  CB  ASP A 160     -37.007  12.930   9.629  1.00 92.51           C  
-ATOM   1234  O   ASP A 160     -35.042  14.654   7.632  1.00 92.51           O  
-ATOM   1235  CG  ASP A 160     -38.208  12.007   9.519  1.00 92.51           C  
-ATOM   1236  OD1 ASP A 160     -38.539  11.567   8.397  1.00 92.51           O  
-ATOM   1237  OD2 ASP A 160     -38.832  11.720  10.564  1.00 92.51           O  
-ATOM   1238  N   ARG A 161     -33.981  13.731   9.414  1.00 94.42           N  
-ATOM   1239  CA  ARG A 161     -32.934  14.747   9.431  1.00 94.42           C  
-ATOM   1240  C   ARG A 161     -31.980  14.570   8.255  1.00 94.42           C  
-ATOM   1241  CB  ARG A 161     -32.157  14.696  10.748  1.00 94.42           C  
-ATOM   1242  O   ARG A 161     -31.641  15.539   7.572  1.00 94.42           O  
-ATOM   1243  CG  ARG A 161     -31.051  15.734  10.851  1.00 94.42           C  
-ATOM   1244  CD  ARG A 161     -30.300  15.629  12.171  1.00 94.42           C  
-ATOM   1245  NE  ARG A 161     -29.613  14.346  12.300  1.00 94.42           N  
-ATOM   1246  NH1 ARG A 161     -27.889  14.891  10.861  1.00 94.42           N  
-ATOM   1247  NH2 ARG A 161     -27.944  12.830  11.864  1.00 94.42           N  
-ATOM   1248  CZ  ARG A 161     -28.484  14.025  11.675  1.00 94.42           C  
-ATOM   1249  N   ILE A 162     -31.635  13.368   7.956  1.00 93.00           N  
-ATOM   1250  CA  ILE A 162     -30.604  13.033   6.981  1.00 93.00           C  
-ATOM   1251  C   ILE A 162     -31.142  13.240   5.567  1.00 93.00           C  
-ATOM   1252  CB  ILE A 162     -30.109  11.579   7.158  1.00 93.00           C  
-ATOM   1253  O   ILE A 162     -30.375  13.488   4.634  1.00 93.00           O  
-ATOM   1254  CG1 ILE A 162     -29.416  11.413   8.515  1.00 93.00           C  
-ATOM   1255  CG2 ILE A 162     -29.173  11.184   6.012  1.00 93.00           C  
-ATOM   1256  CD1 ILE A 162     -29.153   9.964   8.902  1.00 93.00           C  
-ATOM   1257  N   ALA A 163     -32.488  13.113   5.390  1.00 91.65           N  
-ATOM   1258  CA  ALA A 163     -33.089  13.152   4.059  1.00 91.65           C  
-ATOM   1259  C   ALA A 163     -33.432  14.583   3.654  1.00 91.65           C  
-ATOM   1260  CB  ALA A 163     -34.337  12.275   4.013  1.00 91.65           C  
-ATOM   1261  O   ALA A 163     -33.866  14.828   2.526  1.00 91.65           O  
-ATOM   1262  N   GLN A 164     -33.153  15.592   4.536  1.00 91.66           N  
-ATOM   1263  CA  GLN A 164     -33.415  16.990   4.211  1.00 91.66           C  
-ATOM   1264  C   GLN A 164     -32.491  17.477   3.098  1.00 91.66           C  
-ATOM   1265  CB  GLN A 164     -33.253  17.870   5.451  1.00 91.66           C  
-ATOM   1266  O   GLN A 164     -31.316  17.108   3.053  1.00 91.66           O  
-ATOM   1267  CG  GLN A 164     -34.320  17.639   6.513  1.00 91.66           C  
-ATOM   1268  CD  GLN A 164     -35.700  18.082   6.064  1.00 91.66           C  
-ATOM   1269  NE2 GLN A 164     -36.733  17.477   6.639  1.00 91.66           N  
-ATOM   1270  OE1 GLN A 164     -35.836  18.963   5.209  1.00 91.66           O  
-ATOM   1271  N   PRO A 165     -32.980  18.259   2.105  1.00 86.96           N  
-ATOM   1272  CA  PRO A 165     -32.173  18.751   0.986  1.00 86.96           C  
-ATOM   1273  C   PRO A 165     -30.981  19.590   1.442  1.00 86.96           C  
-ATOM   1274  CB  PRO A 165     -33.162  19.599   0.184  1.00 86.96           C  
-ATOM   1275  O   PRO A 165     -29.918  19.551   0.816  1.00 86.96           O  
-ATOM   1276  CG  PRO A 165     -34.510  19.078   0.566  1.00 86.96           C  
-ATOM   1277  CD  PRO A 165     -34.432  18.532   1.963  1.00 86.96           C  
-ATOM   1278  N   ASN A 166     -31.097  20.289   2.585  1.00 90.30           N  
-ATOM   1279  CA  ASN A 166     -30.013  21.127   3.088  1.00 90.30           C  
-ATOM   1280  C   ASN A 166     -29.212  20.415   4.174  1.00 90.30           C  
-ATOM   1281  CB  ASN A 166     -30.562  22.454   3.616  1.00 90.30           C  
-ATOM   1282  O   ASN A 166     -28.548  21.062   4.986  1.00 90.30           O  
-ATOM   1283  CG  ASN A 166     -31.585  22.265   4.719  1.00 90.30           C  
-ATOM   1284  ND2 ASN A 166     -31.821  23.316   5.495  1.00 90.30           N  
-ATOM   1285  OD1 ASN A 166     -32.159  21.184   4.872  1.00 90.30           O  
-ATOM   1286  N   TYR A 167     -29.254  19.175   4.239  1.00 93.27           N  
-ATOM   1287  CA  TYR A 167     -28.585  18.381   5.263  1.00 93.27           C  
-ATOM   1288  C   TYR A 167     -27.070  18.495   5.139  1.00 93.27           C  
-ATOM   1289  CB  TYR A 167     -29.007  16.912   5.166  1.00 93.27           C  
-ATOM   1290  O   TYR A 167     -26.512  18.287   4.060  1.00 93.27           O  
-ATOM   1291  CG  TYR A 167     -28.163  15.981   6.003  1.00 93.27           C  
-ATOM   1292  CD1 TYR A 167     -27.351  15.019   5.406  1.00 93.27           C  
-ATOM   1293  CD2 TYR A 167     -28.178  16.060   7.391  1.00 93.27           C  
-ATOM   1294  CE1 TYR A 167     -26.574  14.158   6.174  1.00 93.27           C  
-ATOM   1295  CE2 TYR A 167     -27.404  15.205   8.169  1.00 93.27           C  
-ATOM   1296  OH  TYR A 167     -25.839  13.409   8.317  1.00 93.27           O  
-ATOM   1297  CZ  TYR A 167     -26.607  14.258   7.552  1.00 93.27           C  
-ATOM   1298  N   ILE A 168     -26.494  18.818   6.232  1.00 93.13           N  
-ATOM   1299  CA  ILE A 168     -25.043  18.784   6.376  1.00 93.13           C  
-ATOM   1300  C   ILE A 168     -24.661  17.875   7.542  1.00 93.13           C  
-ATOM   1301  CB  ILE A 168     -24.462  20.200   6.588  1.00 93.13           C  
-ATOM   1302  O   ILE A 168     -25.107  18.086   8.673  1.00 93.13           O  
-ATOM   1303  CG1 ILE A 168     -24.814  21.104   5.401  1.00 93.13           C  
-ATOM   1304  CG2 ILE A 168     -22.947  20.137   6.798  1.00 93.13           C  
-ATOM   1305  CD1 ILE A 168     -24.450  22.568   5.608  1.00 93.13           C  
-ATOM   1306  N   PRO A 169     -23.868  16.849   7.248  1.00 96.12           N  
-ATOM   1307  CA  PRO A 169     -23.489  15.931   8.324  1.00 96.12           C  
-ATOM   1308  C   PRO A 169     -22.843  16.645   9.509  1.00 96.12           C  
-ATOM   1309  CB  PRO A 169     -22.494  14.985   7.647  1.00 96.12           C  
-ATOM   1310  O   PRO A 169     -22.041  17.564   9.318  1.00 96.12           O  
-ATOM   1311  CG  PRO A 169     -22.856  15.024   6.198  1.00 96.12           C  
-ATOM   1312  CD  PRO A 169     -23.311  16.414   5.856  1.00 96.12           C  
-ATOM   1313  N   THR A 170     -23.255  16.197  10.692  1.00 95.02           N  
-ATOM   1314  CA  THR A 170     -22.629  16.702  11.909  1.00 95.02           C  
-ATOM   1315  C   THR A 170     -21.314  15.977  12.183  1.00 95.02           C  
-ATOM   1316  CB  THR A 170     -23.564  16.550  13.123  1.00 95.02           C  
-ATOM   1317  O   THR A 170     -21.000  14.982  11.525  1.00 95.02           O  
-ATOM   1318  CG2 THR A 170     -24.920  17.196  12.857  1.00 95.02           C  
-ATOM   1319  OG1 THR A 170     -23.758  15.157  13.398  1.00 95.02           O  
-ATOM   1320  N   GLN A 171     -20.570  16.444  13.084  1.00 93.40           N  
-ATOM   1321  CA  GLN A 171     -19.335  15.765  13.464  1.00 93.40           C  
-ATOM   1322  C   GLN A 171     -19.619  14.359  13.985  1.00 93.40           C  
-ATOM   1323  CB  GLN A 171     -18.580  16.574  14.520  1.00 93.40           C  
-ATOM   1324  O   GLN A 171     -18.842  13.433  13.742  1.00 93.40           O  
-ATOM   1325  CG  GLN A 171     -17.926  17.836  13.976  1.00 93.40           C  
-ATOM   1326  CD  GLN A 171     -16.987  18.488  14.974  1.00 93.40           C  
-ATOM   1327  NE2 GLN A 171     -16.479  19.666  14.629  1.00 93.40           N  
-ATOM   1328  OE1 GLN A 171     -16.721  17.937  16.047  1.00 93.40           O  
-ATOM   1329  N   GLN A 172     -20.779  14.310  14.601  1.00 94.24           N  
-ATOM   1330  CA  GLN A 172     -21.185  13.002  15.104  1.00 94.24           C  
-ATOM   1331  C   GLN A 172     -21.517  12.051  13.957  1.00 94.24           C  
-ATOM   1332  CB  GLN A 172     -22.386  13.135  16.040  1.00 94.24           C  
-ATOM   1333  O   GLN A 172     -21.196  10.863  14.016  1.00 94.24           O  
-ATOM   1334  CG  GLN A 172     -22.744  11.847  16.769  1.00 94.24           C  
-ATOM   1335  CD  GLN A 172     -21.610  11.328  17.634  1.00 94.24           C  
-ATOM   1336  NE2 GLN A 172     -21.631  10.031  17.924  1.00 94.24           N  
-ATOM   1337  OE1 GLN A 172     -20.722  12.086  18.037  1.00 94.24           O  
-ATOM   1338  N   ASP A 173     -22.113  12.581  12.877  1.00 95.81           N  
-ATOM   1339  CA  ASP A 173     -22.389  11.781  11.689  1.00 95.81           C  
-ATOM   1340  C   ASP A 173     -21.095  11.295  11.041  1.00 95.81           C  
-ATOM   1341  CB  ASP A 173     -23.213  12.584  10.680  1.00 95.81           C  
-ATOM   1342  O   ASP A 173     -20.989  10.131  10.649  1.00 95.81           O  
-ATOM   1343  CG  ASP A 173     -24.604  12.923  11.187  1.00 95.81           C  
-ATOM   1344  OD1 ASP A 173     -25.162  12.154  11.998  1.00 95.81           O  
-ATOM   1345  OD2 ASP A 173     -25.147  13.969  10.769  1.00 95.81           O  
-ATOM   1346  N   VAL A 174     -20.213  12.213  11.086  1.00 94.69           N  
-ATOM   1347  CA  VAL A 174     -18.925  11.912  10.469  1.00 94.69           C  
-ATOM   1348  C   VAL A 174     -18.223  10.804  11.251  1.00 94.69           C  
-ATOM   1349  CB  VAL A 174     -18.024  13.165  10.397  1.00 94.69           C  
-ATOM   1350  O   VAL A 174     -17.705   9.853  10.662  1.00 94.69           O  
-ATOM   1351  CG1 VAL A 174     -16.627  12.798   9.901  1.00 94.69           C  
-ATOM   1352  CG2 VAL A 174     -18.655  14.223   9.493  1.00 94.69           C  
-ATOM   1353  N   LEU A 175     -18.289  10.819  12.566  1.00 94.22           N  
-ATOM   1354  CA  LEU A 175     -17.641   9.836  13.428  1.00 94.22           C  
-ATOM   1355  C   LEU A 175     -18.250   8.452  13.229  1.00 94.22           C  
-ATOM   1356  CB  LEU A 175     -17.758  10.251  14.897  1.00 94.22           C  
-ATOM   1357  O   LEU A 175     -17.562   7.439  13.378  1.00 94.22           O  
-ATOM   1358  CG  LEU A 175     -16.830  11.375  15.360  1.00 94.22           C  
-ATOM   1359  CD1 LEU A 175     -17.143  11.761  16.802  1.00 94.22           C  
-ATOM   1360  CD2 LEU A 175     -15.371  10.956  15.219  1.00 94.22           C  
-ATOM   1361  N   ARG A 176     -19.460   8.382  12.756  1.00 94.34           N  
-ATOM   1362  CA  ARG A 176     -20.194   7.122  12.699  1.00 94.34           C  
-ATOM   1363  C   ARG A 176     -20.154   6.529  11.294  1.00 94.34           C  
-ATOM   1364  CB  ARG A 176     -21.645   7.324  13.141  1.00 94.34           C  
-ATOM   1365  O   ARG A 176     -20.695   5.447  11.056  1.00 94.34           O  
-ATOM   1366  CG  ARG A 176     -21.796   7.702  14.606  1.00 94.34           C  
-ATOM   1367  CD  ARG A 176     -22.164   6.500  15.463  1.00 94.34           C  
-ATOM   1368  NE  ARG A 176     -22.535   6.898  16.818  1.00 94.34           N  
-ATOM   1369  NH1 ARG A 176     -22.561   4.749  17.665  1.00 94.34           N  
-ATOM   1370  NH2 ARG A 176     -23.053   6.528  19.025  1.00 94.34           N  
-ATOM   1371  CZ  ARG A 176     -22.716   6.057  17.833  1.00 94.34           C  
-ATOM   1372  N   THR A 177     -19.528   7.337  10.423  1.00 94.24           N  
-ATOM   1373  CA  THR A 177     -19.397   6.817   9.066  1.00 94.24           C  
-ATOM   1374  C   THR A 177     -18.400   5.663   9.023  1.00 94.24           C  
-ATOM   1375  CB  THR A 177     -18.954   7.919   8.086  1.00 94.24           C  
-ATOM   1376  O   THR A 177     -17.431   5.644   9.785  1.00 94.24           O  
-ATOM   1377  CG2 THR A 177     -20.005   9.020   7.985  1.00 94.24           C  
-ATOM   1378  OG1 THR A 177     -17.722   8.490   8.543  1.00 94.24           O  
-ATOM   1379  N   ARG A 178     -18.725   4.805   8.111  1.00 90.74           N  
-ATOM   1380  CA  ARG A 178     -17.836   3.662   7.929  1.00 90.74           C  
-ATOM   1381  C   ARG A 178     -17.300   3.607   6.503  1.00 90.74           C  
-ATOM   1382  CB  ARG A 178     -18.561   2.358   8.267  1.00 90.74           C  
-ATOM   1383  O   ARG A 178     -18.073   3.543   5.545  1.00 90.74           O  
-ATOM   1384  CG  ARG A 178     -17.694   1.117   8.127  1.00 90.74           C  
-ATOM   1385  CD  ARG A 178     -18.505  -0.160   8.299  1.00 90.74           C  
-ATOM   1386  NE  ARG A 178     -17.692  -1.350   8.068  1.00 90.74           N  
-ATOM   1387  NH1 ARG A 178     -19.488  -2.778   7.800  1.00 90.74           N  
-ATOM   1388  NH2 ARG A 178     -17.346  -3.580   7.638  1.00 90.74           N  
-ATOM   1389  CZ  ARG A 178     -18.177  -2.567   7.836  1.00 90.74           C  
-ATOM   1390  N   VAL A 179     -15.954   3.600   6.446  1.00 88.30           N  
-ATOM   1391  CA  VAL A 179     -15.220   3.370   5.206  1.00 88.30           C  
-ATOM   1392  C   VAL A 179     -14.111   2.348   5.444  1.00 88.30           C  
-ATOM   1393  CB  VAL A 179     -14.626   4.681   4.646  1.00 88.30           C  
-ATOM   1394  O   VAL A 179     -13.308   2.498   6.368  1.00 88.30           O  
-ATOM   1395  CG1 VAL A 179     -13.942   4.434   3.303  1.00 88.30           C  
-ATOM   1396  CG2 VAL A 179     -15.715   5.743   4.507  1.00 88.30           C  
-ATOM   1397  N   LYS A 180     -14.154   1.349   4.573  1.00 86.22           N  
-ATOM   1398  CA  LYS A 180     -13.064   0.386   4.689  1.00 86.22           C  
-ATOM   1399  C   LYS A 180     -11.710   1.060   4.483  1.00 86.22           C  
-ATOM   1400  CB  LYS A 180     -13.242  -0.751   3.682  1.00 86.22           C  
-ATOM   1401  O   LYS A 180     -11.513   1.782   3.504  1.00 86.22           O  
-ATOM   1402  CG  LYS A 180     -14.450  -1.635   3.953  1.00 86.22           C  
-ATOM   1403  CD  LYS A 180     -14.566  -2.754   2.926  1.00 86.22           C  
-ATOM   1404  CE  LYS A 180     -15.821  -3.588   3.146  1.00 86.22           C  
-ATOM   1405  NZ  LYS A 180     -15.959  -4.663   2.119  1.00 86.22           N  
-ATOM   1406  N   THR A 181     -10.873   0.961   5.540  1.00 84.17           N  
-ATOM   1407  CA  THR A 181      -9.560   1.588   5.436  1.00 84.17           C  
-ATOM   1408  C   THR A 181      -8.614   0.725   4.606  1.00 84.17           C  
-ATOM   1409  CB  THR A 181      -8.947   1.835   6.827  1.00 84.17           C  
-ATOM   1410  O   THR A 181      -8.427  -0.458   4.898  1.00 84.17           O  
-ATOM   1411  CG2 THR A 181      -7.659   2.644   6.724  1.00 84.17           C  
-ATOM   1412  OG1 THR A 181      -9.887   2.554   7.636  1.00 84.17           O  
-ATOM   1413  N   THR A 182      -8.162   1.332   3.457  1.00 80.98           N  
-ATOM   1414  CA  THR A 182      -7.145   0.648   2.666  1.00 80.98           C  
-ATOM   1415  C   THR A 182      -5.778   1.294   2.867  1.00 80.98           C  
-ATOM   1416  CB  THR A 182      -7.504   0.656   1.168  1.00 80.98           C  
-ATOM   1417  O   THR A 182      -5.669   2.520   2.938  1.00 80.98           O  
-ATOM   1418  CG2 THR A 182      -8.811  -0.088   0.912  1.00 80.98           C  
-ATOM   1419  OG1 THR A 182      -7.643   2.011   0.723  1.00 80.98           O  
-ATOM   1420  N   GLY A 183      -4.774   0.494   3.158  1.00 81.55           N  
-ATOM   1421  CA  GLY A 183      -3.420   1.006   3.292  1.00 81.55           C  
-ATOM   1422  C   GLY A 183      -3.136   1.590   4.663  1.00 81.55           C  
-ATOM   1423  O   GLY A 183      -3.721   1.160   5.660  1.00 81.55           O  
-ATOM   1424  N   ILE A 184      -2.182   2.543   4.765  1.00 83.61           N  
-ATOM   1425  CA  ILE A 184      -1.739   3.153   6.014  1.00 83.61           C  
-ATOM   1426  C   ILE A 184      -1.998   4.657   5.974  1.00 83.61           C  
-ATOM   1427  CB  ILE A 184      -0.243   2.873   6.280  1.00 83.61           C  
-ATOM   1428  O   ILE A 184      -1.555   5.345   5.051  1.00 83.61           O  
-ATOM   1429  CG1 ILE A 184       0.025   1.364   6.290  1.00 83.61           C  
-ATOM   1430  CG2 ILE A 184       0.201   3.518   7.596  1.00 83.61           C  
-ATOM   1431  CD1 ILE A 184       1.502   0.997   6.261  1.00 83.61           C  
-ATOM   1432  N   VAL A 185      -2.848   5.101   6.897  1.00 86.06           N  
-ATOM   1433  CA  VAL A 185      -3.129   6.529   6.998  1.00 86.06           C  
-ATOM   1434  C   VAL A 185      -2.358   7.127   8.173  1.00 86.06           C  
-ATOM   1435  CB  VAL A 185      -4.641   6.800   7.160  1.00 86.06           C  
-ATOM   1436  O   VAL A 185      -2.420   6.610   9.291  1.00 86.06           O  
-ATOM   1437  CG1 VAL A 185      -4.911   8.299   7.283  1.00 86.06           C  
-ATOM   1438  CG2 VAL A 185      -5.418   6.209   5.984  1.00 86.06           C  
-ATOM   1439  N   GLU A 186      -1.644   8.254   7.889  1.00 88.36           N  
-ATOM   1440  CA  GLU A 186      -0.837   8.936   8.897  1.00 88.36           C  
-ATOM   1441  C   GLU A 186      -1.473  10.260   9.310  1.00 88.36           C  
-ATOM   1442  CB  GLU A 186       0.583   9.174   8.378  1.00 88.36           C  
-ATOM   1443  O   GLU A 186      -1.831  11.076   8.457  1.00 88.36           O  
-ATOM   1444  CG  GLU A 186       1.492   9.880   9.374  1.00 88.36           C  
-ATOM   1445  CD  GLU A 186       2.876  10.174   8.819  1.00 88.36           C  
-ATOM   1446  OE1 GLU A 186       3.638  10.934   9.460  1.00 88.36           O  
-ATOM   1447  OE2 GLU A 186       3.202   9.641   7.735  1.00 88.36           O  
-ATOM   1448  N   THR A 187      -1.622  10.463  10.624  1.00 88.16           N  
-ATOM   1449  CA  THR A 187      -2.182  11.694  11.171  1.00 88.16           C  
-ATOM   1450  C   THR A 187      -1.245  12.299  12.212  1.00 88.16           C  
-ATOM   1451  CB  THR A 187      -3.564  11.445  11.803  1.00 88.16           C  
-ATOM   1452  O   THR A 187      -0.707  11.585  13.061  1.00 88.16           O  
-ATOM   1453  CG2 THR A 187      -4.213  12.754  12.240  1.00 88.16           C  
-ATOM   1454  OG1 THR A 187      -4.413  10.801  10.845  1.00 88.16           O  
-ATOM   1455  N   HIS A 188      -1.077  13.684  12.110  1.00 88.21           N  
-ATOM   1456  CA  HIS A 188      -0.180  14.394  13.015  1.00 88.21           C  
-ATOM   1457  C   HIS A 188      -0.955  15.326  13.940  1.00 88.21           C  
-ATOM   1458  CB  HIS A 188       0.863  15.186  12.225  1.00 88.21           C  
-ATOM   1459  O   HIS A 188      -1.925  15.960  13.518  1.00 88.21           O  
-ATOM   1460  CG  HIS A 188       1.702  14.338  11.321  1.00 88.21           C  
-ATOM   1461  CD2 HIS A 188       1.364  13.339  10.473  1.00 88.21           C  
-ATOM   1462  ND1 HIS A 188       3.070  14.478  11.228  1.00 88.21           N  
-ATOM   1463  CE1 HIS A 188       3.537  13.599  10.357  1.00 88.21           C  
-ATOM   1464  NE2 HIS A 188       2.522  12.895   9.885  1.00 88.21           N  
-ATOM   1465  N   PHE A 189      -0.576  15.342  15.183  1.00 88.14           N  
-ATOM   1466  CA  PHE A 189      -1.146  16.315  16.108  1.00 88.14           C  
-ATOM   1467  C   PHE A 189      -0.184  16.598  17.255  1.00 88.14           C  
-ATOM   1468  CB  PHE A 189      -2.486  15.815  16.657  1.00 88.14           C  
-ATOM   1469  O   PHE A 189       0.750  15.831  17.494  1.00 88.14           O  
-ATOM   1470  CG  PHE A 189      -2.378  14.543  17.454  1.00 88.14           C  
-ATOM   1471  CD1 PHE A 189      -2.396  13.306  16.822  1.00 88.14           C  
-ATOM   1472  CD2 PHE A 189      -2.259  14.585  18.837  1.00 88.14           C  
-ATOM   1473  CE1 PHE A 189      -2.297  12.127  17.558  1.00 88.14           C  
-ATOM   1474  CE2 PHE A 189      -2.160  13.412  19.579  1.00 88.14           C  
-ATOM   1475  CZ  PHE A 189      -2.180  12.184  18.938  1.00 88.14           C  
-ATOM   1476  N   THR A 190      -0.318  17.786  17.858  1.00 84.14           N  
-ATOM   1477  CA  THR A 190       0.532  18.197  18.971  1.00 84.14           C  
-ATOM   1478  C   THR A 190      -0.254  18.199  20.279  1.00 84.14           C  
-ATOM   1479  CB  THR A 190       1.134  19.593  18.728  1.00 84.14           C  
-ATOM   1480  O   THR A 190      -1.413  18.617  20.312  1.00 84.14           O  
-ATOM   1481  CG2 THR A 190       2.105  19.576  17.552  1.00 84.14           C  
-ATOM   1482  OG1 THR A 190       0.078  20.520  18.449  1.00 84.14           O  
-ATOM   1483  N   PHE A 191       0.338  17.581  21.233  1.00 82.29           N  
-ATOM   1484  CA  PHE A 191      -0.251  17.512  22.565  1.00 82.29           C  
-ATOM   1485  C   PHE A 191       0.821  17.655  23.639  1.00 82.29           C  
-ATOM   1486  CB  PHE A 191      -1.008  16.193  22.752  1.00 82.29           C  
-ATOM   1487  O   PHE A 191       1.807  16.916  23.643  1.00 82.29           O  
-ATOM   1488  CG  PHE A 191      -1.672  16.060  24.096  1.00 82.29           C  
-ATOM   1489  CD1 PHE A 191      -1.161  15.196  25.057  1.00 82.29           C  
-ATOM   1490  CD2 PHE A 191      -2.809  16.799  24.398  1.00 82.29           C  
-ATOM   1491  CE1 PHE A 191      -1.774  15.070  26.302  1.00 82.29           C  
-ATOM   1492  CE2 PHE A 191      -3.427  16.679  25.640  1.00 82.29           C  
-ATOM   1493  CZ  PHE A 191      -2.908  15.813  26.590  1.00 82.29           C  
-ATOM   1494  N   LYS A 192       0.700  18.650  24.588  1.00 79.41           N  
-ATOM   1495  CA  LYS A 192       1.634  18.947  25.670  1.00 79.41           C  
-ATOM   1496  C   LYS A 192       3.049  19.149  25.136  1.00 79.41           C  
-ATOM   1497  CB  LYS A 192       1.622  17.827  26.712  1.00 79.41           C  
-ATOM   1498  O   LYS A 192       4.000  18.552  25.644  1.00 79.41           O  
-ATOM   1499  CG  LYS A 192       0.325  17.731  27.503  1.00 79.41           C  
-ATOM   1500  CD  LYS A 192       0.450  16.752  28.664  1.00 79.41           C  
-ATOM   1501  CE  LYS A 192      -0.788  16.775  29.550  1.00 79.41           C  
-ATOM   1502  NZ  LYS A 192      -0.657  15.841  30.709  1.00 79.41           N  
-ATOM   1503  N   ASP A 193       3.245  19.785  23.932  1.00 77.32           N  
-ATOM   1504  CA  ASP A 193       4.510  20.182  23.320  1.00 77.32           C  
-ATOM   1505  C   ASP A 193       5.225  18.979  22.708  1.00 77.32           C  
-ATOM   1506  CB  ASP A 193       5.414  20.862  24.350  1.00 77.32           C  
-ATOM   1507  O   ASP A 193       6.423  19.042  22.423  1.00 77.32           O  
-ATOM   1508  CG  ASP A 193       4.882  22.209  24.808  1.00 77.32           C  
-ATOM   1509  OD1 ASP A 193       4.281  22.938  23.989  1.00 77.32           O  
-ATOM   1510  OD2 ASP A 193       5.068  22.546  25.997  1.00 77.32           O  
-ATOM   1511  N   LEU A 194       4.509  17.815  22.740  1.00 80.43           N  
-ATOM   1512  CA  LEU A 194       5.033  16.643  22.048  1.00 80.43           C  
-ATOM   1513  C   LEU A 194       4.325  16.438  20.712  1.00 80.43           C  
-ATOM   1514  CB  LEU A 194       4.877  15.392  22.917  1.00 80.43           C  
-ATOM   1515  O   LEU A 194       3.117  16.663  20.604  1.00 80.43           O  
-ATOM   1516  CG  LEU A 194       5.727  15.340  24.188  1.00 80.43           C  
-ATOM   1517  CD1 LEU A 194       5.295  14.171  25.067  1.00 80.43           C  
-ATOM   1518  CD2 LEU A 194       7.207  15.234  23.838  1.00 80.43           C  
-ATOM   1519  N   HIS A 195       5.062  16.106  19.753  1.00 84.52           N  
-ATOM   1520  CA  HIS A 195       4.523  15.822  18.428  1.00 84.52           C  
-ATOM   1521  C   HIS A 195       4.155  14.349  18.286  1.00 84.52           C  
-ATOM   1522  CB  HIS A 195       5.528  16.219  17.345  1.00 84.52           C  
-ATOM   1523  O   HIS A 195       4.998  13.472  18.489  1.00 84.52           O  
-ATOM   1524  CG  HIS A 195       5.766  17.693  17.257  1.00 84.52           C  
-ATOM   1525  CD2 HIS A 195       6.809  18.452  17.668  1.00 84.52           C  
-ATOM   1526  ND1 HIS A 195       4.857  18.560  16.690  1.00 84.52           N  
-ATOM   1527  CE1 HIS A 195       5.333  19.792  16.756  1.00 84.52           C  
-ATOM   1528  NE2 HIS A 195       6.516  19.754  17.345  1.00 84.52           N  
-ATOM   1529  N   PHE A 196       2.850  14.095  17.987  1.00 88.05           N  
-ATOM   1530  CA  PHE A 196       2.359  12.729  17.843  1.00 88.05           C  
-ATOM   1531  C   PHE A 196       2.125  12.390  16.376  1.00 88.05           C  
-ATOM   1532  CB  PHE A 196       1.066  12.534  18.640  1.00 88.05           C  
-ATOM   1533  O   PHE A 196       1.571  13.197  15.627  1.00 88.05           O  
-ATOM   1534  CG  PHE A 196       1.273  12.472  20.129  1.00 88.05           C  
-ATOM   1535  CD1 PHE A 196       1.332  11.249  20.786  1.00 88.05           C  
-ATOM   1536  CD2 PHE A 196       1.410  13.637  20.872  1.00 88.05           C  
-ATOM   1537  CE1 PHE A 196       1.525  11.188  22.164  1.00 88.05           C  
-ATOM   1538  CE2 PHE A 196       1.602  13.584  22.250  1.00 88.05           C  
-ATOM   1539  CZ  PHE A 196       1.658  12.359  22.894  1.00 88.05           C  
-ATOM   1540  N   LYS A 197       2.641  11.249  16.081  1.00 89.27           N  
-ATOM   1541  CA  LYS A 197       2.335  10.643  14.788  1.00 89.27           C  
-ATOM   1542  C   LYS A 197       1.534   9.356  14.959  1.00 89.27           C  
-ATOM   1543  CB  LYS A 197       3.621  10.361  14.010  1.00 89.27           C  
-ATOM   1544  O   LYS A 197       2.041   8.370  15.499  1.00 89.27           O  
-ATOM   1545  CG  LYS A 197       4.285  11.606  13.439  1.00 89.27           C  
-ATOM   1546  CD  LYS A 197       5.454  11.248  12.530  1.00 89.27           C  
-ATOM   1547  CE  LYS A 197       6.167  12.493  12.019  1.00 89.27           C  
-ATOM   1548  NZ  LYS A 197       7.326  12.148  11.143  1.00 89.27           N  
-ATOM   1549  N   MET A 198       0.309   9.459  14.469  1.00 91.60           N  
-ATOM   1550  CA  MET A 198      -0.580   8.314  14.643  1.00 91.60           C  
-ATOM   1551  C   MET A 198      -0.796   7.587  13.320  1.00 91.60           C  
-ATOM   1552  CB  MET A 198      -1.924   8.759  15.222  1.00 91.60           C  
-ATOM   1553  O   MET A 198      -1.086   8.217  12.301  1.00 91.60           O  
-ATOM   1554  CG  MET A 198      -2.844   7.607  15.591  1.00 91.60           C  
-ATOM   1555  SD  MET A 198      -4.378   8.171  16.424  1.00 91.60           S  
-ATOM   1556  CE  MET A 198      -3.707   8.654  18.039  1.00 91.60           C  
-ATOM   1557  N   PHE A 199      -0.596   6.256  13.395  1.00 92.06           N  
-ATOM   1558  CA  PHE A 199      -0.734   5.439  12.195  1.00 92.06           C  
-ATOM   1559  C   PHE A 199      -1.975   4.559  12.278  1.00 92.06           C  
-ATOM   1560  CB  PHE A 199       0.512   4.572  11.987  1.00 92.06           C  
-ATOM   1561  O   PHE A 199      -2.121   3.770  13.213  1.00 92.06           O  
-ATOM   1562  CG  PHE A 199       1.771   5.363  11.755  1.00 92.06           C  
-ATOM   1563  CD1 PHE A 199       2.129   5.765  10.475  1.00 92.06           C  
-ATOM   1564  CD2 PHE A 199       2.596   5.704  12.819  1.00 92.06           C  
-ATOM   1565  CE1 PHE A 199       3.294   6.498  10.257  1.00 92.06           C  
-ATOM   1566  CE2 PHE A 199       3.762   6.436  12.609  1.00 92.06           C  
-ATOM   1567  CZ  PHE A 199       4.109   6.831  11.327  1.00 92.06           C  
-ATOM   1568  N   ASP A 200      -2.852   4.773  11.276  1.00 94.42           N  
-ATOM   1569  CA  ASP A 200      -4.065   3.968  11.164  1.00 94.42           C  
-ATOM   1570  C   ASP A 200      -3.951   2.959  10.024  1.00 94.42           C  
-ATOM   1571  CB  ASP A 200      -5.286   4.865  10.953  1.00 94.42           C  
-ATOM   1572  O   ASP A 200      -3.797   3.342   8.862  1.00 94.42           O  
-ATOM   1573  CG  ASP A 200      -6.597   4.098  10.977  1.00 94.42           C  
-ATOM   1574  OD1 ASP A 200      -6.642   2.985  11.544  1.00 94.42           O  
-ATOM   1575  OD2 ASP A 200      -7.593   4.610  10.422  1.00 94.42           O  
-ATOM   1576  N   VAL A 201      -3.902   1.702  10.370  1.00 92.57           N  
-ATOM   1577  CA  VAL A 201      -3.757   0.661   9.358  1.00 92.57           C  
-ATOM   1578  C   VAL A 201      -5.069  -0.107   9.213  1.00 92.57           C  
-ATOM   1579  CB  VAL A 201      -2.606  -0.311   9.704  1.00 92.57           C  
-ATOM   1580  O   VAL A 201      -5.882  -0.139  10.140  1.00 92.57           O  
-ATOM   1581  CG1 VAL A 201      -1.261   0.412   9.671  1.00 92.57           C  
-ATOM   1582  CG2 VAL A 201      -2.840  -0.947  11.073  1.00 92.57           C  
-ATOM   1583  N   GLY A 202      -5.315  -0.621   7.968  1.00 90.57           N  
-ATOM   1584  CA  GLY A 202      -6.504  -1.430   7.750  1.00 90.57           C  
-ATOM   1585  C   GLY A 202      -6.506  -2.717   8.553  1.00 90.57           C  
-ATOM   1586  O   GLY A 202      -5.477  -3.388   8.663  1.00 90.57           O  
-ATOM   1587  N   GLY A 203      -7.613  -3.076   9.197  1.00 88.88           N  
-ATOM   1588  CA  GLY A 203      -7.730  -4.202  10.110  1.00 88.88           C  
-ATOM   1589  C   GLY A 203      -8.221  -5.469   9.436  1.00 88.88           C  
-ATOM   1590  O   GLY A 203      -8.184  -6.549  10.029  1.00 88.88           O  
-ATOM   1591  N   GLN A 204      -8.573  -5.350   8.093  1.00 88.09           N  
-ATOM   1592  CA  GLN A 204      -9.026  -6.550   7.398  1.00 88.09           C  
-ATOM   1593  C   GLN A 204      -7.856  -7.478   7.084  1.00 88.09           C  
-ATOM   1594  CB  GLN A 204      -9.762  -6.179   6.109  1.00 88.09           C  
-ATOM   1595  O   GLN A 204      -6.710  -7.033   6.995  1.00 88.09           O  
-ATOM   1596  CG  GLN A 204     -11.087  -5.466   6.341  1.00 88.09           C  
-ATOM   1597  CD  GLN A 204     -11.812  -5.140   5.049  1.00 88.09           C  
-ATOM   1598  NE2 GLN A 204     -12.787  -4.240   5.127  1.00 88.09           N  
-ATOM   1599  OE1 GLN A 204     -11.498  -5.691   3.990  1.00 88.09           O  
-ATOM   1600  N   ARG A 205      -8.080  -8.818   6.885  1.00 85.83           N  
-ATOM   1601  CA  ARG A 205      -7.018  -9.803   6.707  1.00 85.83           C  
-ATOM   1602  C   ARG A 205      -6.114  -9.428   5.537  1.00 85.83           C  
-ATOM   1603  CB  ARG A 205      -7.609 -11.198   6.487  1.00 85.83           C  
-ATOM   1604  O   ARG A 205      -4.891  -9.547   5.629  1.00 85.83           O  
-ATOM   1605  CG  ARG A 205      -8.069 -11.880   7.765  1.00 85.83           C  
-ATOM   1606  CD  ARG A 205      -8.435 -13.338   7.526  1.00 85.83           C  
-ATOM   1607  NE  ARG A 205      -8.874 -13.993   8.755  1.00 85.83           N  
-ATOM   1608  NH1 ARG A 205      -9.336 -16.023   7.754  1.00 85.83           N  
-ATOM   1609  NH2 ARG A 205      -9.667 -15.748  10.006  1.00 85.83           N  
-ATOM   1610  CZ  ARG A 205      -9.291 -15.253   8.836  1.00 85.83           C  
-ATOM   1611  N   SER A 206      -6.739  -8.917   4.481  1.00 82.32           N  
-ATOM   1612  CA  SER A 206      -5.988  -8.572   3.278  1.00 82.32           C  
-ATOM   1613  C   SER A 206      -5.053  -7.394   3.529  1.00 82.32           C  
-ATOM   1614  CB  SER A 206      -6.940  -8.242   2.128  1.00 82.32           C  
-ATOM   1615  O   SER A 206      -4.050  -7.231   2.831  1.00 82.32           O  
-ATOM   1616  OG  SER A 206      -7.797  -7.168   2.477  1.00 82.32           O  
-ATOM   1617  N   GLU A 207      -5.399  -6.640   4.565  1.00 86.76           N  
-ATOM   1618  CA  GLU A 207      -4.635  -5.423   4.825  1.00 86.76           C  
-ATOM   1619  C   GLU A 207      -3.532  -5.672   5.850  1.00 86.76           C  
-ATOM   1620  CB  GLU A 207      -5.559  -4.302   5.309  1.00 86.76           C  
-ATOM   1621  O   GLU A 207      -2.580  -4.895   5.946  1.00 86.76           O  
-ATOM   1622  CG  GLU A 207      -6.569  -3.845   4.267  1.00 86.76           C  
-ATOM   1623  CD  GLU A 207      -5.922  -3.273   3.015  1.00 86.76           C  
-ATOM   1624  OE1 GLU A 207      -6.210  -3.770   1.902  1.00 86.76           O  
-ATOM   1625  OE2 GLU A 207      -5.121  -2.321   3.148  1.00 86.76           O  
-ATOM   1626  N   ARG A 208      -3.561  -6.730   6.592  1.00 87.77           N  
-ATOM   1627  CA  ARG A 208      -2.671  -6.998   7.716  1.00 87.77           C  
-ATOM   1628  C   ARG A 208      -1.253  -7.284   7.236  1.00 87.77           C  
-ATOM   1629  CB  ARG A 208      -3.191  -8.174   8.545  1.00 87.77           C  
-ATOM   1630  O   ARG A 208      -0.292  -7.128   7.992  1.00 87.77           O  
-ATOM   1631  CG  ARG A 208      -4.490  -7.883   9.281  1.00 87.77           C  
-ATOM   1632  CD  ARG A 208      -4.928  -9.062  10.139  1.00 87.77           C  
-ATOM   1633  NE  ARG A 208      -6.358  -9.014  10.430  1.00 87.77           N  
-ATOM   1634  NH1 ARG A 208      -6.495 -11.204  11.152  1.00 87.77           N  
-ATOM   1635  NH2 ARG A 208      -8.366  -9.879  11.134  1.00 87.77           N  
-ATOM   1636  CZ  ARG A 208      -7.070 -10.032  10.905  1.00 87.77           C  
-ATOM   1637  N   LYS A 209      -1.105  -7.689   5.999  1.00 79.45           N  
-ATOM   1638  CA  LYS A 209       0.222  -7.958   5.452  1.00 79.45           C  
-ATOM   1639  C   LYS A 209       1.049  -6.678   5.364  1.00 79.45           C  
-ATOM   1640  CB  LYS A 209       0.113  -8.607   4.072  1.00 79.45           C  
-ATOM   1641  O   LYS A 209       2.280  -6.731   5.319  1.00 79.45           O  
-ATOM   1642  CG  LYS A 209      -0.558  -9.973   4.081  1.00 79.45           C  
-ATOM   1643  CD  LYS A 209      -0.650 -10.561   2.679  1.00 79.45           C  
-ATOM   1644  CE  LYS A 209      -1.387 -11.893   2.677  1.00 79.45           C  
-ATOM   1645  NZ  LYS A 209      -1.563 -12.427   1.294  1.00 79.45           N  
-ATOM   1646  N   LYS A 210       0.336  -5.595   5.467  1.00 81.27           N  
-ATOM   1647  CA  LYS A 210       0.993  -4.300   5.307  1.00 81.27           C  
-ATOM   1648  C   LYS A 210       1.397  -3.718   6.658  1.00 81.27           C  
-ATOM   1649  CB  LYS A 210       0.079  -3.322   4.567  1.00 81.27           C  
-ATOM   1650  O   LYS A 210       2.094  -2.703   6.720  1.00 81.27           O  
-ATOM   1651  CG  LYS A 210      -0.299  -3.770   3.163  1.00 81.27           C  
-ATOM   1652  CD  LYS A 210      -1.286  -2.807   2.516  1.00 81.27           C  
-ATOM   1653  CE  LYS A 210      -1.759  -3.316   1.161  1.00 81.27           C  
-ATOM   1654  NZ  LYS A 210      -2.793  -2.420   0.563  1.00 81.27           N  
-ATOM   1655  N   TRP A 211       1.025  -4.406   7.807  1.00 87.09           N  
-ATOM   1656  CA  TRP A 211       1.262  -3.905   9.157  1.00 87.09           C  
-ATOM   1657  C   TRP A 211       2.756  -3.769   9.433  1.00 87.09           C  
-ATOM   1658  CB  TRP A 211       0.622  -4.832  10.195  1.00 87.09           C  
-ATOM   1659  O   TRP A 211       3.190  -2.810  10.076  1.00 87.09           O  
-ATOM   1660  CG  TRP A 211      -0.874  -4.740  10.252  1.00 87.09           C  
-ATOM   1661  CD1 TRP A 211      -1.691  -4.055   9.397  1.00 87.09           C  
-ATOM   1662  CD2 TRP A 211      -1.730  -5.353  11.221  1.00 87.09           C  
-ATOM   1663  CE2 TRP A 211      -3.057  -4.996  10.891  1.00 87.09           C  
-ATOM   1664  CE3 TRP A 211      -1.505  -6.170  12.337  1.00 87.09           C  
-ATOM   1665  NE1 TRP A 211      -3.005  -4.205   9.776  1.00 87.09           N  
-ATOM   1666  CH2 TRP A 211      -3.906  -6.228  12.725  1.00 87.09           C  
-ATOM   1667  CZ2 TRP A 211      -4.154  -5.430  11.639  1.00 87.09           C  
-ATOM   1668  CZ3 TRP A 211      -2.598  -6.601  13.079  1.00 87.09           C  
-ATOM   1669  N   ILE A 212       3.475  -4.684   8.858  1.00 78.03           N  
-ATOM   1670  CA  ILE A 212       4.898  -4.791   9.163  1.00 78.03           C  
-ATOM   1671  C   ILE A 212       5.615  -3.513   8.732  1.00 78.03           C  
-ATOM   1672  CB  ILE A 212       5.533  -6.019   8.474  1.00 78.03           C  
-ATOM   1673  O   ILE A 212       6.672  -3.176   9.270  1.00 78.03           O  
-ATOM   1674  CG1 ILE A 212       5.262  -5.985   6.965  1.00 78.03           C  
-ATOM   1675  CG2 ILE A 212       5.009  -7.317   9.095  1.00 78.03           C  
-ATOM   1676  CD1 ILE A 212       6.094  -6.978   6.165  1.00 78.03           C  
-ATOM   1677  N   HIS A 213       4.955  -2.744   7.862  1.00 76.25           N  
-ATOM   1678  CA  HIS A 213       5.574  -1.547   7.304  1.00 76.25           C  
-ATOM   1679  C   HIS A 213       5.599  -0.414   8.324  1.00 76.25           C  
-ATOM   1680  CB  HIS A 213       4.836  -1.101   6.041  1.00 76.25           C  
-ATOM   1681  O   HIS A 213       6.373   0.536   8.183  1.00 76.25           O  
-ATOM   1682  CG  HIS A 213       4.928  -2.081   4.915  1.00 76.25           C  
-ATOM   1683  CD2 HIS A 213       3.974  -2.814   4.293  1.00 76.25           C  
-ATOM   1684  ND1 HIS A 213       6.121  -2.401   4.302  1.00 76.25           N  
-ATOM   1685  CE1 HIS A 213       5.894  -3.290   3.349  1.00 76.25           C  
-ATOM   1686  NE2 HIS A 213       4.600  -3.557   3.323  1.00 76.25           N  
-ATOM   1687  N   CYS A 214       4.781  -0.591   9.470  1.00 84.60           N  
-ATOM   1688  CA  CYS A 214       4.679   0.506  10.427  1.00 84.60           C  
-ATOM   1689  C   CYS A 214       5.259   0.106  11.778  1.00 84.60           C  
-ATOM   1690  CB  CYS A 214       3.222   0.937  10.594  1.00 84.60           C  
-ATOM   1691  O   CYS A 214       5.115   0.836  12.760  1.00 84.60           O  
-ATOM   1692  SG  CYS A 214       2.451   1.505   9.063  1.00 84.60           S  
-ATOM   1693  N   PHE A 215       5.945  -1.133  11.877  1.00 86.11           N  
-ATOM   1694  CA  PHE A 215       6.363  -1.686  13.159  1.00 86.11           C  
-ATOM   1695  C   PHE A 215       7.655  -1.034  13.636  1.00 86.11           C  
-ATOM   1696  CB  PHE A 215       6.547  -3.203  13.057  1.00 86.11           C  
-ATOM   1697  O   PHE A 215       7.964  -1.056  14.829  1.00 86.11           O  
-ATOM   1698  CG  PHE A 215       5.263  -3.980  13.164  1.00 86.11           C  
-ATOM   1699  CD1 PHE A 215       4.039  -3.323  13.204  1.00 86.11           C  
-ATOM   1700  CD2 PHE A 215       5.279  -5.367  13.225  1.00 86.11           C  
-ATOM   1701  CE1 PHE A 215       2.848  -4.039  13.303  1.00 86.11           C  
-ATOM   1702  CE2 PHE A 215       4.093  -6.090  13.324  1.00 86.11           C  
-ATOM   1703  CZ  PHE A 215       2.879  -5.424  13.364  1.00 86.11           C  
-ATOM   1704  N   GLU A 216       8.249  -0.221  12.772  1.00 78.59           N  
-ATOM   1705  CA  GLU A 216       9.533   0.328  13.197  1.00 78.59           C  
-ATOM   1706  C   GLU A 216       9.343   1.597  14.024  1.00 78.59           C  
-ATOM   1707  CB  GLU A 216      10.421   0.619  11.985  1.00 78.59           C  
-ATOM   1708  O   GLU A 216       8.616   2.506  13.619  1.00 78.59           O  
-ATOM   1709  CG  GLU A 216      11.853   0.986  12.346  1.00 78.59           C  
-ATOM   1710  CD  GLU A 216      12.751   1.165  11.132  1.00 78.59           C  
-ATOM   1711  OE1 GLU A 216      13.966   1.413  11.306  1.00 78.59           O  
-ATOM   1712  OE2 GLU A 216      12.235   1.057   9.997  1.00 78.59           O  
-ATOM   1713  N   GLY A 217      10.128   1.667  15.023  1.00 80.04           N  
-ATOM   1714  CA  GLY A 217      10.254   2.853  15.854  1.00 80.04           C  
-ATOM   1715  C   GLY A 217       8.951   3.257  16.519  1.00 80.04           C  
-ATOM   1716  O   GLY A 217       8.714   4.441  16.764  1.00 80.04           O  
-ATOM   1717  N   VAL A 218       8.076   2.225  16.697  1.00 89.12           N  
-ATOM   1718  CA  VAL A 218       6.790   2.508  17.326  1.00 89.12           C  
-ATOM   1719  C   VAL A 218       6.985   2.738  18.823  1.00 89.12           C  
-ATOM   1720  CB  VAL A 218       5.779   1.363  17.090  1.00 89.12           C  
-ATOM   1721  O   VAL A 218       7.612   1.925  19.505  1.00 89.12           O  
-ATOM   1722  CG1 VAL A 218       4.462   1.648  17.811  1.00 89.12           C  
-ATOM   1723  CG2 VAL A 218       5.541   1.161  15.595  1.00 89.12           C  
-ATOM   1724  N   THR A 219       6.466   3.938  19.293  1.00 88.55           N  
-ATOM   1725  CA  THR A 219       6.572   4.266  20.711  1.00 88.55           C  
-ATOM   1726  C   THR A 219       5.539   3.491  21.524  1.00 88.55           C  
-ATOM   1727  CB  THR A 219       6.388   5.777  20.949  1.00 88.55           C  
-ATOM   1728  O   THR A 219       5.862   2.930  22.574  1.00 88.55           O  
-ATOM   1729  CG2 THR A 219       6.662   6.141  22.405  1.00 88.55           C  
-ATOM   1730  OG1 THR A 219       7.294   6.501  20.108  1.00 88.55           O  
-ATOM   1731  N   ALA A 220       4.333   3.481  21.029  1.00 92.00           N  
-ATOM   1732  CA  ALA A 220       3.241   2.790  21.710  1.00 92.00           C  
-ATOM   1733  C   ALA A 220       2.232   2.238  20.708  1.00 92.00           C  
-ATOM   1734  CB  ALA A 220       2.550   3.730  22.694  1.00 92.00           C  
-ATOM   1735  O   ALA A 220       2.033   2.814  19.636  1.00 92.00           O  
-ATOM   1736  N   ILE A 221       1.676   1.069  21.100  1.00 94.78           N  
-ATOM   1737  CA  ILE A 221       0.635   0.447  20.290  1.00 94.78           C  
-ATOM   1738  C   ILE A 221      -0.715   0.582  20.992  1.00 94.78           C  
-ATOM   1739  CB  ILE A 221       0.948  -1.040  20.011  1.00 94.78           C  
-ATOM   1740  O   ILE A 221      -0.827   0.319  22.191  1.00 94.78           O  
-ATOM   1741  CG1 ILE A 221       2.222  -1.169  19.169  1.00 94.78           C  
-ATOM   1742  CG2 ILE A 221      -0.237  -1.721  19.321  1.00 94.78           C  
-ATOM   1743  CD1 ILE A 221       2.707  -2.601  18.995  1.00 94.78           C  
-ATOM   1744  N   ILE A 222      -1.684   1.094  20.221  1.00 95.93           N  
-ATOM   1745  CA  ILE A 222      -3.066   1.054  20.687  1.00 95.93           C  
-ATOM   1746  C   ILE A 222      -3.818  -0.069  19.976  1.00 95.93           C  
-ATOM   1747  CB  ILE A 222      -3.779   2.406  20.457  1.00 95.93           C  
-ATOM   1748  O   ILE A 222      -4.073   0.011  18.772  1.00 95.93           O  
-ATOM   1749  CG1 ILE A 222      -3.028   3.534  21.173  1.00 95.93           C  
-ATOM   1750  CG2 ILE A 222      -5.236   2.334  20.925  1.00 95.93           C  
-ATOM   1751  CD1 ILE A 222      -3.567   4.925  20.872  1.00 95.93           C  
-ATOM   1752  N   PHE A 223      -4.069  -1.079  20.707  1.00 97.62           N  
-ATOM   1753  CA  PHE A 223      -4.790  -2.205  20.126  1.00 97.62           C  
-ATOM   1754  C   PHE A 223      -6.278  -2.119  20.445  1.00 97.62           C  
-ATOM   1755  CB  PHE A 223      -4.219  -3.532  20.637  1.00 97.62           C  
-ATOM   1756  O   PHE A 223      -6.673  -2.195  21.610  1.00 97.62           O  
-ATOM   1757  CG  PHE A 223      -4.627  -4.725  19.815  1.00 97.62           C  
-ATOM   1758  CD1 PHE A 223      -5.801  -5.411  20.096  1.00 97.62           C  
-ATOM   1759  CD2 PHE A 223      -3.834  -5.159  18.760  1.00 97.62           C  
-ATOM   1760  CE1 PHE A 223      -6.181  -6.516  19.337  1.00 97.62           C  
-ATOM   1761  CE2 PHE A 223      -4.207  -6.262  17.997  1.00 97.62           C  
-ATOM   1762  CZ  PHE A 223      -5.380  -6.940  18.288  1.00 97.62           C  
-ATOM   1763  N   CYS A 224      -7.098  -2.011  19.393  1.00 97.72           N  
-ATOM   1764  CA  CYS A 224      -8.533  -1.807  19.558  1.00 97.72           C  
-ATOM   1765  C   CYS A 224      -9.289  -3.124  19.431  1.00 97.72           C  
-ATOM   1766  CB  CYS A 224      -9.054  -0.807  18.526  1.00 97.72           C  
-ATOM   1767  O   CYS A 224      -9.086  -3.872  18.472  1.00 97.72           O  
-ATOM   1768  SG  CYS A 224      -8.406   0.865  18.741  1.00 97.72           S  
-ATOM   1769  N   VAL A 225     -10.160  -3.320  20.381  1.00 98.09           N  
-ATOM   1770  CA  VAL A 225     -11.001  -4.513  20.396  1.00 98.09           C  
-ATOM   1771  C   VAL A 225     -12.470  -4.109  20.488  1.00 98.09           C  
-ATOM   1772  CB  VAL A 225     -10.632  -5.452  21.567  1.00 98.09           C  
-ATOM   1773  O   VAL A 225     -12.844  -3.290  21.331  1.00 98.09           O  
-ATOM   1774  CG1 VAL A 225     -11.559  -6.665  21.599  1.00 98.09           C  
-ATOM   1775  CG2 VAL A 225      -9.173  -5.892  21.457  1.00 98.09           C  
-ATOM   1776  N   ALA A 226     -13.243  -4.635  19.605  1.00 97.22           N  
-ATOM   1777  CA  ALA A 226     -14.680  -4.385  19.672  1.00 97.22           C  
-ATOM   1778  C   ALA A 226     -15.358  -5.341  20.651  1.00 97.22           C  
-ATOM   1779  CB  ALA A 226     -15.309  -4.513  18.287  1.00 97.22           C  
-ATOM   1780  O   ALA A 226     -15.515  -6.529  20.360  1.00 97.22           O  
-ATOM   1781  N   LEU A 227     -15.880  -4.800  21.757  1.00 97.22           N  
-ATOM   1782  CA  LEU A 227     -16.526  -5.605  22.788  1.00 97.22           C  
-ATOM   1783  C   LEU A 227     -17.820  -6.220  22.266  1.00 97.22           C  
-ATOM   1784  CB  LEU A 227     -16.815  -4.756  24.029  1.00 97.22           C  
-ATOM   1785  O   LEU A 227     -18.197  -7.322  22.672  1.00 97.22           O  
-ATOM   1786  CG  LEU A 227     -15.629  -4.487  24.957  1.00 97.22           C  
-ATOM   1787  CD1 LEU A 227     -16.021  -3.488  26.041  1.00 97.22           C  
-ATOM   1788  CD2 LEU A 227     -15.128  -5.787  25.576  1.00 97.22           C  
-ATOM   1789  N   SER A 228     -18.431  -5.540  21.393  1.00 95.23           N  
-ATOM   1790  CA  SER A 228     -19.746  -5.928  20.894  1.00 95.23           C  
-ATOM   1791  C   SER A 228     -19.642  -7.078  19.899  1.00 95.23           C  
-ATOM   1792  CB  SER A 228     -20.444  -4.736  20.238  1.00 95.23           C  
-ATOM   1793  O   SER A 228     -20.653  -7.682  19.533  1.00 95.23           O  
-ATOM   1794  OG  SER A 228     -19.672  -4.230  19.163  1.00 95.23           O  
-ATOM   1795  N   ASP A 229     -18.494  -7.581  19.525  1.00 95.46           N  
-ATOM   1796  CA  ASP A 229     -18.306  -8.546  18.446  1.00 95.46           C  
-ATOM   1797  C   ASP A 229     -18.295  -9.975  18.983  1.00 95.46           C  
-ATOM   1798  CB  ASP A 229     -17.008  -8.259  17.689  1.00 95.46           C  
-ATOM   1799  O   ASP A 229     -18.083 -10.926  18.228  1.00 95.46           O  
-ATOM   1800  CG  ASP A 229     -17.136  -7.106  16.709  1.00 95.46           C  
-ATOM   1801  OD1 ASP A 229     -18.231  -6.512  16.605  1.00 95.46           O  
-ATOM   1802  OD2 ASP A 229     -16.133  -6.791  16.032  1.00 95.46           O  
-ATOM   1803  N   TYR A 230     -18.546 -10.176  20.274  1.00 95.73           N  
-ATOM   1804  CA  TYR A 230     -18.384 -11.490  20.887  1.00 95.73           C  
-ATOM   1805  C   TYR A 230     -19.351 -12.499  20.279  1.00 95.73           C  
-ATOM   1806  CB  TYR A 230     -18.599 -11.408  22.401  1.00 95.73           C  
-ATOM   1807  O   TYR A 230     -19.120 -13.708  20.346  1.00 95.73           O  
-ATOM   1808  CG  TYR A 230     -20.026 -11.113  22.796  1.00 95.73           C  
-ATOM   1809  CD1 TYR A 230     -20.477  -9.801  22.927  1.00 95.73           C  
-ATOM   1810  CD2 TYR A 230     -20.926 -12.145  23.040  1.00 95.73           C  
-ATOM   1811  CE1 TYR A 230     -21.790  -9.525  23.292  1.00 95.73           C  
-ATOM   1812  CE2 TYR A 230     -22.242 -11.881  23.406  1.00 95.73           C  
-ATOM   1813  OH  TYR A 230     -23.965 -10.302  23.891  1.00 95.73           O  
-ATOM   1814  CZ  TYR A 230     -22.664 -10.570  23.529  1.00 95.73           C  
-ATOM   1815  N   ASP A 231     -20.417 -12.068  19.638  1.00 94.09           N  
-ATOM   1816  CA  ASP A 231     -21.405 -12.996  19.096  1.00 94.09           C  
-ATOM   1817  C   ASP A 231     -21.458 -12.912  17.572  1.00 94.09           C  
-ATOM   1818  CB  ASP A 231     -22.788 -12.713  19.687  1.00 94.09           C  
-ATOM   1819  O   ASP A 231     -22.471 -13.262  16.961  1.00 94.09           O  
-ATOM   1820  CG  ASP A 231     -23.298 -11.320  19.363  1.00 94.09           C  
-ATOM   1821  OD1 ASP A 231     -22.523 -10.494  18.834  1.00 94.09           O  
-ATOM   1822  OD2 ASP A 231     -24.485 -11.045  19.641  1.00 94.09           O  
-ATOM   1823  N   LEU A 232     -20.372 -12.396  16.927  1.00 93.84           N  
-ATOM   1824  CA  LEU A 232     -20.331 -12.255  15.476  1.00 93.84           C  
-ATOM   1825  C   LEU A 232     -19.251 -13.147  14.873  1.00 93.84           C  
-ATOM   1826  CB  LEU A 232     -20.081 -10.796  15.086  1.00 93.84           C  
-ATOM   1827  O   LEU A 232     -18.287 -13.508  15.553  1.00 93.84           O  
-ATOM   1828  CG  LEU A 232     -21.149  -9.788  15.512  1.00 93.84           C  
-ATOM   1829  CD1 LEU A 232     -20.703  -8.369  15.175  1.00 93.84           C  
-ATOM   1830  CD2 LEU A 232     -22.482 -10.107  14.844  1.00 93.84           C  
-ATOM   1831  N   VAL A 233     -19.498 -13.517  13.619  1.00 92.16           N  
-ATOM   1832  CA  VAL A 233     -18.475 -14.237  12.868  1.00 92.16           C  
-ATOM   1833  C   VAL A 233     -17.844 -13.308  11.833  1.00 92.16           C  
-ATOM   1834  CB  VAL A 233     -19.057 -15.490  12.174  1.00 92.16           C  
-ATOM   1835  O   VAL A 233     -18.431 -12.286  11.468  1.00 92.16           O  
-ATOM   1836  CG1 VAL A 233     -19.519 -16.514  13.209  1.00 92.16           C  
-ATOM   1837  CG2 VAL A 233     -20.209 -15.101  11.250  1.00 92.16           C  
-ATOM   1838  N   LEU A 234     -16.652 -13.623  11.277  1.00 85.73           N  
-ATOM   1839  CA  LEU A 234     -15.930 -12.806  10.308  1.00 85.73           C  
-ATOM   1840  C   LEU A 234     -16.631 -12.824   8.954  1.00 85.73           C  
-ATOM   1841  CB  LEU A 234     -14.489 -13.300  10.156  1.00 85.73           C  
-ATOM   1842  O   LEU A 234     -17.168 -13.854   8.541  1.00 85.73           O  
-ATOM   1843  CG  LEU A 234     -13.574 -13.102  11.365  1.00 85.73           C  
-ATOM   1844  CD1 LEU A 234     -12.226 -13.774  11.125  1.00 85.73           C  
-ATOM   1845  CD2 LEU A 234     -13.392 -11.617  11.661  1.00 85.73           C  
-ATOM   1846  N   ALA A 235     -16.579 -11.668   8.292  1.00 82.24           N  
-ATOM   1847  CA  ALA A 235     -17.109 -11.601   6.932  1.00 82.24           C  
-ATOM   1848  C   ALA A 235     -16.287 -12.466   5.980  1.00 82.24           C  
-ATOM   1849  CB  ALA A 235     -17.137 -10.155   6.443  1.00 82.24           C  
-ATOM   1850  O   ALA A 235     -16.841 -13.132   5.102  1.00 82.24           O  
-ATOM   1851  N   GLU A 236     -14.993 -12.590   6.230  1.00 79.99           N  
-ATOM   1852  CA  GLU A 236     -14.022 -13.271   5.379  1.00 79.99           C  
-ATOM   1853  C   GLU A 236     -13.998 -14.771   5.662  1.00 79.99           C  
-ATOM   1854  CB  GLU A 236     -12.625 -12.677   5.573  1.00 79.99           C  
-ATOM   1855  O   GLU A 236     -13.549 -15.558   4.826  1.00 79.99           O  
-ATOM   1856  CG  GLU A 236     -12.529 -11.201   5.213  1.00 79.99           C  
-ATOM   1857  CD  GLU A 236     -12.778 -10.278   6.395  1.00 79.99           C  
-ATOM   1858  OE1 GLU A 236     -12.392  -9.088   6.327  1.00 79.99           O  
-ATOM   1859  OE2 GLU A 236     -13.363 -10.747   7.396  1.00 79.99           O  
-ATOM   1860  N   ASP A 237     -14.437 -15.156   6.945  1.00 83.40           N  
-ATOM   1861  CA  ASP A 237     -14.466 -16.538   7.413  1.00 83.40           C  
-ATOM   1862  C   ASP A 237     -15.625 -16.766   8.380  1.00 83.40           C  
-ATOM   1863  CB  ASP A 237     -13.141 -16.906   8.084  1.00 83.40           C  
-ATOM   1864  O   ASP A 237     -15.528 -16.433   9.563  1.00 83.40           O  
-ATOM   1865  CG  ASP A 237     -13.052 -18.376   8.454  1.00 83.40           C  
-ATOM   1866  OD1 ASP A 237     -14.031 -19.121   8.234  1.00 83.40           O  
-ATOM   1867  OD2 ASP A 237     -11.994 -18.792   8.975  1.00 83.40           O  
-ATOM   1868  N   GLU A 238     -16.692 -17.395   7.895  1.00 84.47           N  
-ATOM   1869  CA  GLU A 238     -17.929 -17.533   8.658  1.00 84.47           C  
-ATOM   1870  C   GLU A 238     -17.793 -18.601   9.740  1.00 84.47           C  
-ATOM   1871  CB  GLU A 238     -19.098 -17.871   7.730  1.00 84.47           C  
-ATOM   1872  O   GLU A 238     -18.721 -18.821  10.521  1.00 84.47           O  
-ATOM   1873  CG  GLU A 238     -19.494 -16.733   6.800  1.00 84.47           C  
-ATOM   1874  CD  GLU A 238     -20.730 -17.039   5.969  1.00 84.47           C  
-ATOM   1875  OE1 GLU A 238     -21.217 -16.137   5.251  1.00 84.47           O  
-ATOM   1876  OE2 GLU A 238     -21.216 -18.190   6.038  1.00 84.47           O  
-ATOM   1877  N   GLU A 239     -16.641 -19.190   9.913  1.00 88.03           N  
-ATOM   1878  CA  GLU A 239     -16.427 -20.225  10.921  1.00 88.03           C  
-ATOM   1879  C   GLU A 239     -15.663 -19.676  12.122  1.00 88.03           C  
-ATOM   1880  CB  GLU A 239     -15.676 -21.415  10.318  1.00 88.03           C  
-ATOM   1881  O   GLU A 239     -15.572 -20.334  13.160  1.00 88.03           O  
-ATOM   1882  CG  GLU A 239     -16.463 -22.163   9.252  1.00 88.03           C  
-ATOM   1883  CD  GLU A 239     -15.790 -23.450   8.802  1.00 88.03           C  
-ATOM   1884  OE1 GLU A 239     -16.453 -24.283   8.143  1.00 88.03           O  
-ATOM   1885  OE2 GLU A 239     -14.591 -23.628   9.113  1.00 88.03           O  
-ATOM   1886  N   MET A 240     -15.177 -18.450  11.946  1.00 90.80           N  
-ATOM   1887  CA  MET A 240     -14.330 -17.871  12.985  1.00 90.80           C  
-ATOM   1888  C   MET A 240     -15.061 -16.754  13.723  1.00 90.80           C  
-ATOM   1889  CB  MET A 240     -13.030 -17.336  12.383  1.00 90.80           C  
-ATOM   1890  O   MET A 240     -15.566 -15.819  13.100  1.00 90.80           O  
-ATOM   1891  CG  MET A 240     -12.057 -16.787  13.415  1.00 90.80           C  
-ATOM   1892  SD  MET A 240     -11.217 -18.113  14.365  1.00 90.80           S  
-ATOM   1893  CE  MET A 240     -10.114 -17.114  15.402  1.00 90.80           C  
-ATOM   1894  N   ASN A 241     -15.139 -16.830  15.054  1.00 94.11           N  
-ATOM   1895  CA  ASN A 241     -15.693 -15.775  15.895  1.00 94.11           C  
-ATOM   1896  C   ASN A 241     -14.793 -14.543  15.914  1.00 94.11           C  
-ATOM   1897  CB  ASN A 241     -15.921 -16.288  17.319  1.00 94.11           C  
-ATOM   1898  O   ASN A 241     -13.572 -14.662  16.031  1.00 94.11           O  
-ATOM   1899  CG  ASN A 241     -16.502 -15.229  18.235  1.00 94.11           C  
-ATOM   1900  ND2 ASN A 241     -17.827 -15.162  18.297  1.00 94.11           N  
-ATOM   1901  OD1 ASN A 241     -15.767 -14.477  18.880  1.00 94.11           O  
-ATOM   1902  N   ARG A 242     -15.370 -13.380  15.754  1.00 94.78           N  
-ATOM   1903  CA  ARG A 242     -14.625 -12.132  15.622  1.00 94.78           C  
-ATOM   1904  C   ARG A 242     -13.808 -11.847  16.877  1.00 94.78           C  
-ATOM   1905  CB  ARG A 242     -15.575 -10.966  15.338  1.00 94.78           C  
-ATOM   1906  O   ARG A 242     -12.675 -11.368  16.791  1.00 94.78           O  
-ATOM   1907  CG  ARG A 242     -16.079 -10.917  13.905  1.00 94.78           C  
-ATOM   1908  CD  ARG A 242     -16.811  -9.615  13.609  1.00 94.78           C  
-ATOM   1909  NE  ARG A 242     -17.396  -9.618  12.271  1.00 94.78           N  
-ATOM   1910  NH1 ARG A 242     -17.865  -7.356  12.247  1.00 94.78           N  
-ATOM   1911  NH2 ARG A 242     -18.392  -8.660  10.437  1.00 94.78           N  
-ATOM   1912  CZ  ARG A 242     -17.883  -8.544  11.655  1.00 94.78           C  
-ATOM   1913  N   MET A 243     -14.416 -12.120  18.148  1.00 96.36           N  
-ATOM   1914  CA  MET A 243     -13.700 -11.898  19.402  1.00 96.36           C  
-ATOM   1915  C   MET A 243     -12.495 -12.826  19.512  1.00 96.36           C  
-ATOM   1916  CB  MET A 243     -14.632 -12.107  20.597  1.00 96.36           C  
-ATOM   1917  O   MET A 243     -11.412 -12.398  19.915  1.00 96.36           O  
-ATOM   1918  CG  MET A 243     -13.959 -11.894  21.943  1.00 96.36           C  
-ATOM   1919  SD  MET A 243     -13.426 -10.156  22.196  1.00 96.36           S  
-ATOM   1920  CE  MET A 243     -15.025  -9.383  22.570  1.00 96.36           C  
-ATOM   1921  N   HIS A 244     -12.578 -14.050  19.115  1.00 95.32           N  
-ATOM   1922  CA  HIS A 244     -11.470 -14.999  19.145  1.00 95.32           C  
-ATOM   1923  C   HIS A 244     -10.389 -14.616  18.139  1.00 95.32           C  
-ATOM   1924  CB  HIS A 244     -11.972 -16.416  18.862  1.00 95.32           C  
-ATOM   1925  O   HIS A 244      -9.196 -14.733  18.429  1.00 95.32           O  
-ATOM   1926  CG  HIS A 244     -12.685 -17.042  20.018  1.00 95.32           C  
-ATOM   1927  CD2 HIS A 244     -12.388 -17.064  21.339  1.00 95.32           C  
-ATOM   1928  ND1 HIS A 244     -13.856 -17.753  19.874  1.00 95.32           N  
-ATOM   1929  CE1 HIS A 244     -14.250 -18.187  21.059  1.00 95.32           C  
-ATOM   1930  NE2 HIS A 244     -13.377 -17.782  21.966  1.00 95.32           N  
-ATOM   1931  N   GLU A 245     -10.847 -14.224  16.991  1.00 94.50           N  
-ATOM   1932  CA  GLU A 245      -9.879 -13.732  16.015  1.00 94.50           C  
-ATOM   1933  C   GLU A 245      -9.086 -12.552  16.570  1.00 94.50           C  
-ATOM   1934  CB  GLU A 245     -10.583 -13.329  14.716  1.00 94.50           C  
-ATOM   1935  O   GLU A 245      -7.865 -12.489  16.412  1.00 94.50           O  
-ATOM   1936  CG  GLU A 245      -9.667 -12.657  13.704  1.00 94.50           C  
-ATOM   1937  CD  GLU A 245      -8.607 -13.591  13.141  1.00 94.50           C  
-ATOM   1938  OE1 GLU A 245      -7.763 -13.136  12.336  1.00 94.50           O  
-ATOM   1939  OE2 GLU A 245      -8.622 -14.788  13.506  1.00 94.50           O  
-ATOM   1940  N   SER A 246      -9.801 -11.632  17.155  1.00 96.67           N  
-ATOM   1941  CA  SER A 246      -9.158 -10.466  17.753  1.00 96.67           C  
-ATOM   1942  C   SER A 246      -8.155 -10.877  18.825  1.00 96.67           C  
-ATOM   1943  CB  SER A 246     -10.204  -9.527  18.354  1.00 96.67           C  
-ATOM   1944  O   SER A 246      -7.071 -10.298  18.923  1.00 96.67           O  
-ATOM   1945  OG  SER A 246      -9.606  -8.315  18.780  1.00 96.67           O  
-ATOM   1946  N   MET A 247      -8.446 -11.870  19.563  1.00 96.94           N  
-ATOM   1947  CA  MET A 247      -7.550 -12.383  20.595  1.00 96.94           C  
-ATOM   1948  C   MET A 247      -6.290 -12.978  19.974  1.00 96.94           C  
-ATOM   1949  CB  MET A 247      -8.259 -13.435  21.449  1.00 96.94           C  
-ATOM   1950  O   MET A 247      -5.184 -12.753  20.469  1.00 96.94           O  
-ATOM   1951  CG  MET A 247      -9.313 -12.859  22.381  1.00 96.94           C  
-ATOM   1952  SD  MET A 247     -10.168 -14.154  23.361  1.00 96.94           S  
-ATOM   1953  CE  MET A 247      -8.804 -14.704  24.424  1.00 96.94           C  
-ATOM   1954  N   LYS A 248      -6.502 -13.777  18.919  1.00 94.62           N  
-ATOM   1955  CA  LYS A 248      -5.361 -14.356  18.216  1.00 94.62           C  
-ATOM   1956  C   LYS A 248      -4.437 -13.268  17.678  1.00 94.62           C  
-ATOM   1957  CB  LYS A 248      -5.835 -15.254  17.072  1.00 94.62           C  
-ATOM   1958  O   LYS A 248      -3.214 -13.375  17.787  1.00 94.62           O  
-ATOM   1959  CG  LYS A 248      -6.409 -16.587  17.528  1.00 94.62           C  
-ATOM   1960  CD  LYS A 248      -6.804 -17.460  16.344  1.00 94.62           C  
-ATOM   1961  CE  LYS A 248      -7.467 -18.753  16.799  1.00 94.62           C  
-ATOM   1962  NZ  LYS A 248      -7.948 -19.566  15.641  1.00 94.62           N  
-ATOM   1963  N   LEU A 249      -5.113 -12.245  17.211  1.00 94.70           N  
-ATOM   1964  CA  LEU A 249      -4.349 -11.125  16.673  1.00 94.70           C  
-ATOM   1965  C   LEU A 249      -3.578 -10.411  17.778  1.00 94.70           C  
-ATOM   1966  CB  LEU A 249      -5.276 -10.136  15.961  1.00 94.70           C  
-ATOM   1967  O   LEU A 249      -2.395 -10.102  17.616  1.00 94.70           O  
-ATOM   1968  CG  LEU A 249      -4.598  -8.979  15.226  1.00 94.70           C  
-ATOM   1969  CD1 LEU A 249      -3.694  -9.511  14.120  1.00 94.70           C  
-ATOM   1970  CD2 LEU A 249      -5.640  -8.021  14.658  1.00 94.70           C  
-ATOM   1971  N   PHE A 250      -4.217 -10.177  18.843  1.00 96.56           N  
-ATOM   1972  CA  PHE A 250      -3.586  -9.514  19.978  1.00 96.56           C  
-ATOM   1973  C   PHE A 250      -2.409 -10.331  20.496  1.00 96.56           C  
-ATOM   1974  CB  PHE A 250      -4.602  -9.287  21.102  1.00 96.56           C  
-ATOM   1975  O   PHE A 250      -1.349  -9.779  20.799  1.00 96.56           O  
-ATOM   1976  CG  PHE A 250      -4.039  -8.557  22.291  1.00 96.56           C  
-ATOM   1977  CD1 PHE A 250      -3.820  -9.221  23.492  1.00 96.56           C  
-ATOM   1978  CD2 PHE A 250      -3.728  -7.206  22.207  1.00 96.56           C  
-ATOM   1979  CE1 PHE A 250      -3.299  -8.547  24.594  1.00 96.56           C  
-ATOM   1980  CE2 PHE A 250      -3.206  -6.527  23.305  1.00 96.56           C  
-ATOM   1981  CZ  PHE A 250      -2.993  -7.199  24.497  1.00 96.56           C  
-ATOM   1982  N   ASP A 251      -2.554 -11.605  20.592  1.00 94.74           N  
-ATOM   1983  CA  ASP A 251      -1.488 -12.495  21.043  1.00 94.74           C  
-ATOM   1984  C   ASP A 251      -0.252 -12.365  20.156  1.00 94.74           C  
-ATOM   1985  CB  ASP A 251      -1.973 -13.946  21.060  1.00 94.74           C  
-ATOM   1986  O   ASP A 251       0.872 -12.284  20.657  1.00 94.74           O  
-ATOM   1987  CG  ASP A 251      -0.957 -14.903  21.660  1.00 94.74           C  
-ATOM   1988  OD1 ASP A 251      -0.355 -14.577  22.706  1.00 94.74           O  
-ATOM   1989  OD2 ASP A 251      -0.754 -15.992  21.079  1.00 94.74           O  
-ATOM   1990  N   SER A 252      -0.471 -12.317  18.860  1.00 92.80           N  
-ATOM   1991  CA  SER A 252       0.626 -12.220  17.903  1.00 92.80           C  
-ATOM   1992  C   SER A 252       1.327 -10.869  18.000  1.00 92.80           C  
-ATOM   1993  CB  SER A 252       0.116 -12.437  16.477  1.00 92.80           C  
-ATOM   1994  O   SER A 252       2.542 -10.779  17.813  1.00 92.80           O  
-ATOM   1995  OG  SER A 252      -0.618 -11.310  16.029  1.00 92.80           O  
-ATOM   1996  N   ILE A 253       0.608  -9.875  18.383  1.00 93.18           N  
-ATOM   1997  CA  ILE A 253       1.150  -8.521  18.404  1.00 93.18           C  
-ATOM   1998  C   ILE A 253       1.848  -8.266  19.738  1.00 93.18           C  
-ATOM   1999  CB  ILE A 253       0.045  -7.466  18.168  1.00 93.18           C  
-ATOM   2000  O   ILE A 253       2.989  -7.798  19.769  1.00 93.18           O  
-ATOM   2001  CG1 ILE A 253      -0.523  -7.597  16.750  1.00 93.18           C  
-ATOM   2002  CG2 ILE A 253       0.586  -6.054  18.413  1.00 93.18           C  
-ATOM   2003  CD1 ILE A 253       0.498  -7.346  15.649  1.00 93.18           C  
-ATOM   2004  N   CYS A 254       1.160  -8.589  20.774  1.00 92.09           N  
-ATOM   2005  CA  CYS A 254       1.655  -8.302  22.115  1.00 92.09           C  
-ATOM   2006  C   CYS A 254       2.951  -9.055  22.391  1.00 92.09           C  
-ATOM   2007  CB  CYS A 254       0.607  -8.671  23.164  1.00 92.09           C  
-ATOM   2008  O   CYS A 254       3.799  -8.583  23.150  1.00 92.09           O  
-ATOM   2009  SG  CYS A 254       1.140  -8.372  24.864  1.00 92.09           S  
-ATOM   2010  N   ASN A 255       3.124 -10.172  21.697  1.00 91.63           N  
-ATOM   2011  CA  ASN A 255       4.275 -11.025  21.974  1.00 91.63           C  
-ATOM   2012  C   ASN A 255       5.273 -11.013  20.819  1.00 91.63           C  
-ATOM   2013  CB  ASN A 255       3.823 -12.456  22.270  1.00 91.63           C  
-ATOM   2014  O   ASN A 255       6.214 -11.808  20.799  1.00 91.63           O  
-ATOM   2015  CG  ASN A 255       2.987 -12.555  23.531  1.00 91.63           C  
-ATOM   2016  ND2 ASN A 255       1.799 -13.135  23.410  1.00 91.63           N  
-ATOM   2017  OD1 ASN A 255       3.405 -12.114  24.604  1.00 91.63           O  
-ATOM   2018  N   ASN A 256       5.094 -10.134  19.889  1.00 87.98           N  
-ATOM   2019  CA  ASN A 256       5.968  -9.977  18.732  1.00 87.98           C  
-ATOM   2020  C   ASN A 256       7.299  -9.336  19.117  1.00 87.98           C  
-ATOM   2021  CB  ASN A 256       5.277  -9.152  17.645  1.00 87.98           C  
-ATOM   2022  O   ASN A 256       7.333  -8.404  19.923  1.00 87.98           O  
-ATOM   2023  CG  ASN A 256       6.001  -9.215  16.314  1.00 87.98           C  
-ATOM   2024  ND2 ASN A 256       5.255  -9.464  15.244  1.00 87.98           N  
-ATOM   2025  OD1 ASN A 256       7.221  -9.042  16.249  1.00 87.98           O  
-ATOM   2026  N   LYS A 257       8.439  -9.796  18.488  1.00 85.89           N  
-ATOM   2027  CA  LYS A 257       9.796  -9.362  18.807  1.00 85.89           C  
-ATOM   2028  C   LYS A 257       9.991  -7.884  18.480  1.00 85.89           C  
-ATOM   2029  CB  LYS A 257      10.822 -10.206  18.050  1.00 85.89           C  
-ATOM   2030  O   LYS A 257      10.838  -7.217  19.079  1.00 85.89           O  
-ATOM   2031  CG  LYS A 257      10.916 -11.646  18.533  1.00 85.89           C  
-ATOM   2032  CD  LYS A 257      12.034 -12.401  17.827  1.00 85.89           C  
-ATOM   2033  CE  LYS A 257      12.125 -13.844  18.304  1.00 85.89           C  
-ATOM   2034  NZ  LYS A 257      13.158 -14.614  17.549  1.00 85.89           N  
-ATOM   2035  N   TRP A 258       9.128  -7.423  17.506  1.00 84.07           N  
-ATOM   2036  CA  TRP A 258       9.266  -6.030  17.094  1.00 84.07           C  
-ATOM   2037  C   TRP A 258       8.852  -5.086  18.219  1.00 84.07           C  
-ATOM   2038  CB  TRP A 258       8.426  -5.753  15.844  1.00 84.07           C  
-ATOM   2039  O   TRP A 258       9.282  -3.931  18.258  1.00 84.07           O  
-ATOM   2040  CG  TRP A 258       9.061  -6.220  14.568  1.00 84.07           C  
-ATOM   2041  CD1 TRP A 258      10.152  -5.680  13.945  1.00 84.07           C  
-ATOM   2042  CD2 TRP A 258       8.639  -7.321  13.758  1.00 84.07           C  
-ATOM   2043  CE2 TRP A 258       9.522  -7.392  12.657  1.00 84.07           C  
-ATOM   2044  CE3 TRP A 258       7.600  -8.256  13.855  1.00 84.07           C  
-ATOM   2045  NE1 TRP A 258      10.434  -6.381  12.795  1.00 84.07           N  
-ATOM   2046  CH2 TRP A 258       8.371  -9.265  11.780  1.00 84.07           C  
-ATOM   2047  CZ2 TRP A 258       9.396  -8.362  11.660  1.00 84.07           C  
-ATOM   2048  CZ3 TRP A 258       7.477  -9.221  12.862  1.00 84.07           C  
-ATOM   2049  N   PHE A 259       8.031  -5.616  19.248  1.00 89.30           N  
-ATOM   2050  CA  PHE A 259       7.390  -4.726  20.209  1.00 89.30           C  
-ATOM   2051  C   PHE A 259       7.856  -5.035  21.627  1.00 89.30           C  
-ATOM   2052  CB  PHE A 259       5.866  -4.844  20.120  1.00 89.30           C  
-ATOM   2053  O   PHE A 259       7.109  -4.839  22.588  1.00 89.30           O  
-ATOM   2054  CG  PHE A 259       5.314  -4.558  18.750  1.00 89.30           C  
-ATOM   2055  CD1 PHE A 259       5.635  -3.379  18.088  1.00 89.30           C  
-ATOM   2056  CD2 PHE A 259       4.473  -5.468  18.123  1.00 89.30           C  
-ATOM   2057  CE1 PHE A 259       5.126  -3.112  16.819  1.00 89.30           C  
-ATOM   2058  CE2 PHE A 259       3.960  -5.208  16.856  1.00 89.30           C  
-ATOM   2059  CZ  PHE A 259       4.287  -4.029  16.206  1.00 89.30           C  
-ATOM   2060  N   THR A 260       9.108  -5.509  21.675  1.00 84.85           N  
-ATOM   2061  CA  THR A 260       9.655  -5.906  22.967  1.00 84.85           C  
-ATOM   2062  C   THR A 260       9.755  -4.706  23.904  1.00 84.85           C  
-ATOM   2063  CB  THR A 260      11.043  -6.555  22.811  1.00 84.85           C  
-ATOM   2064  O   THR A 260       9.409  -4.802  25.084  1.00 84.85           O  
-ATOM   2065  CG2 THR A 260      11.563  -7.071  24.149  1.00 84.85           C  
-ATOM   2066  OG1 THR A 260      10.951  -7.651  21.892  1.00 84.85           O  
-ATOM   2067  N   ASP A 261      10.109  -3.580  23.390  1.00 83.11           N  
-ATOM   2068  CA  ASP A 261      10.311  -2.389  24.211  1.00 83.11           C  
-ATOM   2069  C   ASP A 261       9.207  -1.362  23.970  1.00 83.11           C  
-ATOM   2070  CB  ASP A 261      11.680  -1.767  23.926  1.00 83.11           C  
-ATOM   2071  O   ASP A 261       9.339  -0.199  24.356  1.00 83.11           O  
-ATOM   2072  CG  ASP A 261      12.835  -2.672  24.315  1.00 83.11           C  
-ATOM   2073  OD1 ASP A 261      12.759  -3.341  25.368  1.00 83.11           O  
-ATOM   2074  OD2 ASP A 261      13.833  -2.715  23.563  1.00 83.11           O  
-ATOM   2075  N   THR A 262       8.099  -1.871  23.334  1.00 89.14           N  
-ATOM   2076  CA  THR A 262       7.006  -0.970  22.985  1.00 89.14           C  
-ATOM   2077  C   THR A 262       5.880  -1.062  24.010  1.00 89.14           C  
-ATOM   2078  CB  THR A 262       6.453  -1.281  21.582  1.00 89.14           C  
-ATOM   2079  O   THR A 262       5.532  -2.156  24.460  1.00 89.14           O  
-ATOM   2080  CG2 THR A 262       5.388  -0.268  21.174  1.00 89.14           C  
-ATOM   2081  OG1 THR A 262       7.525  -1.239  20.631  1.00 89.14           O  
-ATOM   2082  N   SER A 263       5.309   0.122  24.458  1.00 89.73           N  
-ATOM   2083  CA  SER A 263       4.155   0.136  25.351  1.00 89.73           C  
-ATOM   2084  C   SER A 263       2.885  -0.286  24.619  1.00 89.73           C  
-ATOM   2085  CB  SER A 263       3.964   1.526  25.959  1.00 89.73           C  
-ATOM   2086  O   SER A 263       2.644   0.139  23.488  1.00 89.73           O  
-ATOM   2087  OG  SER A 263       5.094   1.896  26.731  1.00 89.73           O  
-ATOM   2088  N   ILE A 264       2.113  -1.144  25.290  1.00 93.14           N  
-ATOM   2089  CA  ILE A 264       0.899  -1.646  24.656  1.00 93.14           C  
-ATOM   2090  C   ILE A 264      -0.325  -1.170  25.436  1.00 93.14           C  
-ATOM   2091  CB  ILE A 264       0.907  -3.188  24.561  1.00 93.14           C  
-ATOM   2092  O   ILE A 264      -0.428  -1.400  26.643  1.00 93.14           O  
-ATOM   2093  CG1 ILE A 264       2.079  -3.664  23.696  1.00 93.14           C  
-ATOM   2094  CG2 ILE A 264      -0.426  -3.702  24.008  1.00 93.14           C  
-ATOM   2095  CD1 ILE A 264       2.153  -5.176  23.530  1.00 93.14           C  
-ATOM   2096  N   ILE A 265      -1.206  -0.488  24.727  1.00 95.19           N  
-ATOM   2097  CA  ILE A 265      -2.470  -0.009  25.276  1.00 95.19           C  
-ATOM   2098  C   ILE A 265      -3.630  -0.779  24.649  1.00 95.19           C  
-ATOM   2099  CB  ILE A 265      -2.648   1.509  25.044  1.00 95.19           C  
-ATOM   2100  O   ILE A 265      -3.747  -0.849  23.424  1.00 95.19           O  
-ATOM   2101  CG1 ILE A 265      -1.462   2.281  25.635  1.00 95.19           C  
-ATOM   2102  CG2 ILE A 265      -3.971   1.995  25.643  1.00 95.19           C  
-ATOM   2103  CD1 ILE A 265      -1.226   3.640  24.990  1.00 95.19           C  
-ATOM   2104  N   LEU A 266      -4.440  -1.333  25.489  1.00 96.82           N  
-ATOM   2105  CA  LEU A 266      -5.572  -2.123  25.017  1.00 96.82           C  
-ATOM   2106  C   LEU A 266      -6.878  -1.351  25.173  1.00 96.82           C  
-ATOM   2107  CB  LEU A 266      -5.654  -3.449  25.778  1.00 96.82           C  
-ATOM   2108  O   LEU A 266      -7.274  -1.014  26.291  1.00 96.82           O  
-ATOM   2109  CG  LEU A 266      -6.832  -4.360  25.428  1.00 96.82           C  
-ATOM   2110  CD1 LEU A 266      -6.750  -4.795  23.969  1.00 96.82           C  
-ATOM   2111  CD2 LEU A 266      -6.864  -5.572  26.353  1.00 96.82           C  
-ATOM   2112  N   PHE A 267      -7.499  -1.032  23.998  1.00 97.95           N  
-ATOM   2113  CA  PHE A 267      -8.811  -0.396  23.991  1.00 97.95           C  
-ATOM   2114  C   PHE A 267      -9.914  -1.434  23.817  1.00 97.95           C  
-ATOM   2115  CB  PHE A 267      -8.896   0.652  22.877  1.00 97.95           C  
-ATOM   2116  O   PHE A 267     -10.007  -2.080  22.772  1.00 97.95           O  
-ATOM   2117  CG  PHE A 267      -8.226   1.955  23.217  1.00 97.95           C  
-ATOM   2118  CD1 PHE A 267      -7.492   2.090  24.390  1.00 97.95           C  
-ATOM   2119  CD2 PHE A 267      -8.330   3.047  22.365  1.00 97.95           C  
-ATOM   2120  CE1 PHE A 267      -6.871   3.296  24.708  1.00 97.95           C  
-ATOM   2121  CE2 PHE A 267      -7.712   4.255  22.676  1.00 97.95           C  
-ATOM   2122  CZ  PHE A 267      -6.984   4.377  23.848  1.00 97.95           C  
-ATOM   2123  N   LEU A 268     -10.641  -1.642  24.839  1.00 97.89           N  
-ATOM   2124  CA  LEU A 268     -11.871  -2.416  24.713  1.00 97.89           C  
-ATOM   2125  C   LEU A 268     -13.050  -1.512  24.369  1.00 97.89           C  
-ATOM   2126  CB  LEU A 268     -12.160  -3.179  26.009  1.00 97.89           C  
-ATOM   2127  O   LEU A 268     -13.680  -0.940  25.261  1.00 97.89           O  
-ATOM   2128  CG  LEU A 268     -11.084  -4.164  26.470  1.00 97.89           C  
-ATOM   2129  CD1 LEU A 268     -11.442  -4.737  27.837  1.00 97.89           C  
-ATOM   2130  CD2 LEU A 268     -10.906  -5.279  25.446  1.00 97.89           C  
-ATOM   2131  N   ASN A 269     -13.274  -1.432  22.990  1.00 97.70           N  
-ATOM   2132  CA  ASN A 269     -14.109  -0.382  22.418  1.00 97.70           C  
-ATOM   2133  C   ASN A 269     -15.553  -0.845  22.245  1.00 97.70           C  
-ATOM   2134  CB  ASN A 269     -13.538   0.089  21.079  1.00 97.70           C  
-ATOM   2135  O   ASN A 269     -15.870  -2.009  22.496  1.00 97.70           O  
-ATOM   2136  CG  ASN A 269     -14.118   1.417  20.631  1.00 97.70           C  
-ATOM   2137  ND2 ASN A 269     -14.260   1.591  19.323  1.00 97.70           N  
-ATOM   2138  OD1 ASN A 269     -14.433   2.280  21.455  1.00 97.70           O  
-ATOM   2139  N   LYS A 270     -16.442   0.105  22.028  1.00 96.25           N  
-ATOM   2140  CA  LYS A 270     -17.870  -0.074  21.783  1.00 96.25           C  
-ATOM   2141  C   LYS A 270     -18.580  -0.595  23.029  1.00 96.25           C  
-ATOM   2142  CB  LYS A 270     -18.098  -1.030  20.612  1.00 96.25           C  
-ATOM   2143  O   LYS A 270     -19.397  -1.515  22.946  1.00 96.25           O  
-ATOM   2144  CG  LYS A 270     -17.477  -0.564  19.303  1.00 96.25           C  
-ATOM   2145  CD  LYS A 270     -17.865  -1.475  18.145  1.00 96.25           C  
-ATOM   2146  CE  LYS A 270     -17.116  -1.110  16.870  1.00 96.25           C  
-ATOM   2147  NZ  LYS A 270     -17.521  -1.976  15.723  1.00 96.25           N  
-ATOM   2148  N   LYS A 271     -18.203  -0.047  24.112  1.00 96.06           N  
-ATOM   2149  CA  LYS A 271     -18.771  -0.490  25.382  1.00 96.06           C  
-ATOM   2150  C   LYS A 271     -20.259  -0.163  25.462  1.00 96.06           C  
-ATOM   2151  CB  LYS A 271     -18.029   0.154  26.555  1.00 96.06           C  
-ATOM   2152  O   LYS A 271     -21.020  -0.868  26.129  1.00 96.06           O  
-ATOM   2153  CG  LYS A 271     -18.256   1.653  26.684  1.00 96.06           C  
-ATOM   2154  CD  LYS A 271     -17.545   2.223  27.904  1.00 96.06           C  
-ATOM   2155  CE  LYS A 271     -17.836   3.708  28.079  1.00 96.06           C  
-ATOM   2156  NZ  LYS A 271     -17.155   4.268  29.284  1.00 96.06           N  
-ATOM   2157  N   ASP A 272     -20.652   0.894  24.763  1.00 94.71           N  
-ATOM   2158  CA  ASP A 272     -22.057   1.287  24.740  1.00 94.71           C  
-ATOM   2159  C   ASP A 272     -22.917   0.215  24.074  1.00 94.71           C  
-ATOM   2160  CB  ASP A 272     -22.229   2.624  24.017  1.00 94.71           C  
-ATOM   2161  O   ASP A 272     -23.973  -0.153  24.593  1.00 94.71           O  
-ATOM   2162  CG  ASP A 272     -21.610   2.632  22.630  1.00 94.71           C  
-ATOM   2163  OD1 ASP A 272     -20.500   2.085  22.455  1.00 94.71           O  
-ATOM   2164  OD2 ASP A 272     -22.237   3.192  21.705  1.00 94.71           O  
-ATOM   2165  N   LEU A 273     -22.398  -0.308  22.939  1.00 94.28           N  
-ATOM   2166  CA  LEU A 273     -23.136  -1.347  22.227  1.00 94.28           C  
-ATOM   2167  C   LEU A 273     -23.098  -2.664  22.996  1.00 94.28           C  
-ATOM   2168  CB  LEU A 273     -22.561  -1.546  20.822  1.00 94.28           C  
-ATOM   2169  O   LEU A 273     -24.089  -3.397  23.028  1.00 94.28           O  
-ATOM   2170  CG  LEU A 273     -22.667  -0.353  19.871  1.00 94.28           C  
-ATOM   2171  CD1 LEU A 273     -22.037  -0.691  18.524  1.00 94.28           C  
-ATOM   2172  CD2 LEU A 273     -24.123   0.065  19.697  1.00 94.28           C  
-ATOM   2173  N   PHE A 274     -22.015  -2.923  23.608  1.00 96.65           N  
-ATOM   2174  CA  PHE A 274     -21.844  -4.141  24.391  1.00 96.65           C  
-ATOM   2175  C   PHE A 274     -22.815  -4.170  25.566  1.00 96.65           C  
-ATOM   2176  CB  PHE A 274     -20.404  -4.260  24.898  1.00 96.65           C  
-ATOM   2177  O   PHE A 274     -23.440  -5.197  25.837  1.00 96.65           O  
-ATOM   2178  CG  PHE A 274     -20.163  -5.463  25.768  1.00 96.65           C  
-ATOM   2179  CD1 PHE A 274     -19.979  -5.323  27.138  1.00 96.65           C  
-ATOM   2180  CD2 PHE A 274     -20.120  -6.737  25.215  1.00 96.65           C  
-ATOM   2181  CE1 PHE A 274     -19.756  -6.435  27.946  1.00 96.65           C  
-ATOM   2182  CE2 PHE A 274     -19.898  -7.854  26.016  1.00 96.65           C  
-ATOM   2183  CZ  PHE A 274     -19.715  -7.700  27.381  1.00 96.65           C  
-ATOM   2184  N   GLU A 275     -22.945  -3.014  26.227  1.00 96.07           N  
-ATOM   2185  CA  GLU A 275     -23.807  -2.900  27.399  1.00 96.07           C  
-ATOM   2186  C   GLU A 275     -25.247  -3.281  27.064  1.00 96.07           C  
-ATOM   2187  CB  GLU A 275     -23.758  -1.479  27.967  1.00 96.07           C  
-ATOM   2188  O   GLU A 275     -25.906  -3.980  27.837  1.00 96.07           O  
-ATOM   2189  CG  GLU A 275     -24.486  -1.322  29.294  1.00 96.07           C  
-ATOM   2190  CD  GLU A 275     -24.227   0.018  29.965  1.00 96.07           C  
-ATOM   2191  OE1 GLU A 275     -24.388   0.118  31.203  1.00 96.07           O  
-ATOM   2192  OE2 GLU A 275     -23.862   0.975  29.247  1.00 96.07           O  
-ATOM   2193  N   GLU A 276     -25.673  -2.901  25.933  1.00 93.02           N  
-ATOM   2194  CA  GLU A 276     -27.040  -3.200  25.517  1.00 93.02           C  
-ATOM   2195  C   GLU A 276     -27.163  -4.636  25.016  1.00 93.02           C  
-ATOM   2196  CB  GLU A 276     -27.497  -2.222  24.432  1.00 93.02           C  
-ATOM   2197  O   GLU A 276     -28.129  -5.330  25.338  1.00 93.02           O  
-ATOM   2198  CG  GLU A 276     -27.696  -0.798  24.930  1.00 93.02           C  
-ATOM   2199  CD  GLU A 276     -28.722  -0.692  26.048  1.00 93.02           C  
-ATOM   2200  OE1 GLU A 276     -28.449  -0.005  27.058  1.00 93.02           O  
-ATOM   2201  OE2 GLU A 276     -29.806  -1.301  25.912  1.00 93.02           O  
-ATOM   2202  N   LYS A 277     -26.222  -5.100  24.380  1.00 93.73           N  
-ATOM   2203  CA  LYS A 277     -26.233  -6.404  23.722  1.00 93.73           C  
-ATOM   2204  C   LYS A 277     -26.128  -7.535  24.741  1.00 93.73           C  
-ATOM   2205  CB  LYS A 277     -25.091  -6.504  22.709  1.00 93.73           C  
-ATOM   2206  O   LYS A 277     -26.761  -8.581  24.583  1.00 93.73           O  
-ATOM   2207  CG  LYS A 277     -25.170  -7.725  21.805  1.00 93.73           C  
-ATOM   2208  CD  LYS A 277     -24.099  -7.690  20.722  1.00 93.73           C  
-ATOM   2209  CE  LYS A 277     -24.556  -8.409  19.460  1.00 93.73           C  
-ATOM   2210  NZ  LYS A 277     -23.552  -8.289  18.361  1.00 93.73           N  
-ATOM   2211  N   ILE A 278     -25.353  -7.333  25.785  1.00 95.23           N  
-ATOM   2212  CA  ILE A 278     -25.095  -8.378  26.770  1.00 95.23           C  
-ATOM   2213  C   ILE A 278     -26.384  -8.709  27.520  1.00 95.23           C  
-ATOM   2214  CB  ILE A 278     -23.989  -7.958  27.764  1.00 95.23           C  
-ATOM   2215  O   ILE A 278     -26.532  -9.809  28.056  1.00 95.23           O  
-ATOM   2216  CG1 ILE A 278     -23.515  -9.167  28.578  1.00 95.23           C  
-ATOM   2217  CG2 ILE A 278     -24.486  -6.839  28.684  1.00 95.23           C  
-ATOM   2218  CD1 ILE A 278     -22.873 -10.264  27.739  1.00 95.23           C  
-ATOM   2219  N   LYS A 279     -27.363  -7.807  27.488  1.00 93.67           N  
-ATOM   2220  CA  LYS A 279     -28.662  -8.035  28.116  1.00 93.67           C  
-ATOM   2221  C   LYS A 279     -29.475  -9.066  27.338  1.00 93.67           C  
-ATOM   2222  CB  LYS A 279     -29.443  -6.725  28.225  1.00 93.67           C  
-ATOM   2223  O   LYS A 279     -30.319  -9.758  27.910  1.00 93.67           O  
-ATOM   2224  CG  LYS A 279     -28.790  -5.688  29.126  1.00 93.67           C  
-ATOM   2225  CD  LYS A 279     -29.585  -4.389  29.151  1.00 93.67           C  
-ATOM   2226  CE  LYS A 279     -28.893  -3.324  29.992  1.00 93.67           C  
-ATOM   2227  NZ  LYS A 279     -29.625  -2.023  29.951  1.00 93.67           N  
-ATOM   2228  N   LYS A 280     -29.160  -9.252  26.088  1.00 91.13           N  
-ATOM   2229  CA  LYS A 280     -29.998 -10.104  25.250  1.00 91.13           C  
-ATOM   2230  C   LYS A 280     -29.208 -11.295  24.715  1.00 91.13           C  
-ATOM   2231  CB  LYS A 280     -30.588  -9.302  24.089  1.00 91.13           C  
-ATOM   2232  O   LYS A 280     -29.792 -12.305  24.316  1.00 91.13           O  
-ATOM   2233  CG  LYS A 280     -31.415  -8.102  24.523  1.00 91.13           C  
-ATOM   2234  CD  LYS A 280     -31.855  -7.264  23.329  1.00 91.13           C  
-ATOM   2235  CE  LYS A 280     -32.610  -6.016  23.768  1.00 91.13           C  
-ATOM   2236  NZ  LYS A 280     -32.974  -5.152  22.605  1.00 91.13           N  
-ATOM   2237  N   SER A 281     -27.920 -11.234  24.688  1.00 92.91           N  
-ATOM   2238  CA  SER A 281     -27.050 -12.283  24.167  1.00 92.91           C  
-ATOM   2239  C   SER A 281     -25.989 -12.679  25.189  1.00 92.91           C  
-ATOM   2240  CB  SER A 281     -26.376 -11.827  22.872  1.00 92.91           C  
-ATOM   2241  O   SER A 281     -25.107 -11.883  25.517  1.00 92.91           O  
-ATOM   2242  OG  SER A 281     -25.585 -12.867  22.324  1.00 92.91           O  
-ATOM   2243  N   PRO A 282     -26.076 -13.924  25.646  1.00 94.28           N  
-ATOM   2244  CA  PRO A 282     -25.156 -14.368  26.696  1.00 94.28           C  
-ATOM   2245  C   PRO A 282     -23.712 -14.473  26.210  1.00 94.28           C  
-ATOM   2246  CB  PRO A 282     -25.703 -15.744  27.085  1.00 94.28           C  
-ATOM   2247  O   PRO A 282     -23.471 -14.823  25.052  1.00 94.28           O  
-ATOM   2248  CG  PRO A 282     -26.458 -16.209  25.882  1.00 94.28           C  
-ATOM   2249  CD  PRO A 282     -27.001 -15.006  25.166  1.00 94.28           C  
-ATOM   2250  N   LEU A 283     -22.793 -14.218  27.151  1.00 96.20           N  
-ATOM   2251  CA  LEU A 283     -21.370 -14.247  26.834  1.00 96.20           C  
-ATOM   2252  C   LEU A 283     -20.904 -15.672  26.554  1.00 96.20           C  
-ATOM   2253  CB  LEU A 283     -20.553 -13.647  27.982  1.00 96.20           C  
-ATOM   2254  O   LEU A 283     -19.840 -15.877  25.966  1.00 96.20           O  
-ATOM   2255  CG  LEU A 283     -19.066 -13.415  27.707  1.00 96.20           C  
-ATOM   2256  CD1 LEU A 283     -18.888 -12.476  26.518  1.00 96.20           C  
-ATOM   2257  CD2 LEU A 283     -18.374 -12.855  28.945  1.00 96.20           C  
-ATOM   2258  N   THR A 284     -21.622 -16.646  26.988  1.00 94.96           N  
-ATOM   2259  CA  THR A 284     -21.277 -18.057  26.855  1.00 94.96           C  
-ATOM   2260  C   THR A 284     -21.236 -18.467  25.386  1.00 94.96           C  
-ATOM   2261  CB  THR A 284     -22.276 -18.950  27.612  1.00 94.96           C  
-ATOM   2262  O   THR A 284     -20.638 -19.487  25.037  1.00 94.96           O  
-ATOM   2263  CG2 THR A 284     -22.110 -18.804  29.121  1.00 94.96           C  
-ATOM   2264  OG1 THR A 284     -23.612 -18.575  27.252  1.00 94.96           O  
-ATOM   2265  N   ILE A 285     -21.787 -17.676  24.510  1.00 92.50           N  
-ATOM   2266  CA  ILE A 285     -21.730 -17.939  23.076  1.00 92.50           C  
-ATOM   2267  C   ILE A 285     -20.277 -17.929  22.607  1.00 92.50           C  
-ATOM   2268  CB  ILE A 285     -22.558 -16.905  22.279  1.00 92.50           C  
-ATOM   2269  O   ILE A 285     -19.883 -18.746  21.771  1.00 92.50           O  
-ATOM   2270  CG1 ILE A 285     -24.054 -17.087  22.560  1.00 92.50           C  
-ATOM   2271  CG2 ILE A 285     -22.264 -17.019  20.780  1.00 92.50           C  
-ATOM   2272  CD1 ILE A 285     -24.933 -16.000  21.958  1.00 92.50           C  
-ATOM   2273  N   CYS A 286     -19.624 -17.019  23.143  1.00 94.82           N  
-ATOM   2274  CA  CYS A 286     -18.220 -16.872  22.777  1.00 94.82           C  
-ATOM   2275  C   CYS A 286     -17.321 -17.630  23.748  1.00 94.82           C  
-ATOM   2276  CB  CYS A 286     -17.824 -15.396  22.748  1.00 94.82           C  
-ATOM   2277  O   CYS A 286     -16.332 -18.239  23.337  1.00 94.82           O  
-ATOM   2278  SG  CYS A 286     -16.127 -15.108  22.201  1.00 94.82           S  
-ATOM   2279  N   TYR A 287     -17.665 -17.625  25.028  1.00 95.62           N  
-ATOM   2280  CA  TYR A 287     -16.905 -18.263  26.098  1.00 95.62           C  
-ATOM   2281  C   TYR A 287     -17.764 -19.274  26.848  1.00 95.62           C  
-ATOM   2282  CB  TYR A 287     -16.363 -17.213  27.073  1.00 95.62           C  
-ATOM   2283  O   TYR A 287     -18.401 -18.935  27.849  1.00 95.62           O  
-ATOM   2284  CG  TYR A 287     -15.495 -16.167  26.416  1.00 95.62           C  
-ATOM   2285  CD1 TYR A 287     -14.196 -16.464  26.013  1.00 95.62           C  
-ATOM   2286  CD2 TYR A 287     -15.973 -14.879  26.200  1.00 95.62           C  
-ATOM   2287  CE1 TYR A 287     -13.392 -15.502  25.410  1.00 95.62           C  
-ATOM   2288  CE2 TYR A 287     -15.178 -13.909  25.597  1.00 95.62           C  
-ATOM   2289  OH  TYR A 287     -13.100 -13.274  24.609  1.00 95.62           O  
-ATOM   2290  CZ  TYR A 287     -13.891 -14.230  25.206  1.00 95.62           C  
-ATOM   2291  N   PRO A 288     -17.748 -20.493  26.362  1.00 93.78           N  
-ATOM   2292  CA  PRO A 288     -18.619 -21.503  26.969  1.00 93.78           C  
-ATOM   2293  C   PRO A 288     -18.284 -21.766  28.436  1.00 93.78           C  
-ATOM   2294  CB  PRO A 288     -18.360 -22.749  26.118  1.00 93.78           C  
-ATOM   2295  O   PRO A 288     -19.160 -22.154  29.213  1.00 93.78           O  
-ATOM   2296  CG  PRO A 288     -17.879 -22.222  24.805  1.00 93.78           C  
-ATOM   2297  CD  PRO A 288     -17.116 -20.952  25.052  1.00 93.78           C  
-ATOM   2298  N   GLU A 289     -17.061 -21.433  28.813  1.00 93.38           N  
-ATOM   2299  CA  GLU A 289     -16.585 -21.710  30.165  1.00 93.38           C  
-ATOM   2300  C   GLU A 289     -16.922 -20.564  31.114  1.00 93.38           C  
-ATOM   2301  CB  GLU A 289     -15.075 -21.963  30.162  1.00 93.38           C  
-ATOM   2302  O   GLU A 289     -16.693 -20.663  32.321  1.00 93.38           O  
-ATOM   2303  CG  GLU A 289     -14.255 -20.787  29.652  1.00 93.38           C  
-ATOM   2304  CD  GLU A 289     -14.103 -20.771  28.139  1.00 93.38           C  
-ATOM   2305  OE1 GLU A 289     -13.285 -19.979  27.619  1.00 93.38           O  
-ATOM   2306  OE2 GLU A 289     -14.809 -21.557  27.469  1.00 93.38           O  
-ATOM   2307  N   TYR A 290     -17.480 -19.485  30.705  1.00 95.27           N  
-ATOM   2308  CA  TYR A 290     -17.811 -18.315  31.511  1.00 95.27           C  
-ATOM   2309  C   TYR A 290     -18.927 -18.631  32.499  1.00 95.27           C  
-ATOM   2310  CB  TYR A 290     -18.223 -17.143  30.615  1.00 95.27           C  
-ATOM   2311  O   TYR A 290     -19.995 -19.108  32.106  1.00 95.27           O  
-ATOM   2312  CG  TYR A 290     -18.640 -15.911  31.380  1.00 95.27           C  
-ATOM   2313  CD1 TYR A 290     -19.954 -15.449  31.331  1.00 95.27           C  
-ATOM   2314  CD2 TYR A 290     -17.723 -15.207  32.152  1.00 95.27           C  
-ATOM   2315  CE1 TYR A 290     -20.343 -14.313  32.034  1.00 95.27           C  
-ATOM   2316  CE2 TYR A 290     -18.101 -14.069  32.858  1.00 95.27           C  
-ATOM   2317  OH  TYR A 290     -19.790 -12.506  33.491  1.00 95.27           O  
-ATOM   2318  CZ  TYR A 290     -19.411 -13.631  32.793  1.00 95.27           C  
-ATOM   2319  N   ALA A 291     -18.657 -18.439  33.762  1.00 92.93           N  
-ATOM   2320  CA  ALA A 291     -19.609 -18.802  34.809  1.00 92.93           C  
-ATOM   2321  C   ALA A 291     -20.219 -17.559  35.450  1.00 92.93           C  
-ATOM   2322  CB  ALA A 291     -18.930 -19.665  35.869  1.00 92.93           C  
-ATOM   2323  O   ALA A 291     -21.039 -17.664  36.365  1.00 92.93           O  
-ATOM   2324  N   GLY A 292     -19.853 -16.339  34.973  1.00 92.02           N  
-ATOM   2325  CA  GLY A 292     -20.352 -15.107  35.563  1.00 92.02           C  
-ATOM   2326  C   GLY A 292     -21.715 -14.702  35.033  1.00 92.02           C  
-ATOM   2327  O   GLY A 292     -22.266 -15.365  34.152  1.00 92.02           O  
-ATOM   2328  N   SER A 293     -22.318 -13.618  35.664  1.00 93.00           N  
-ATOM   2329  CA  SER A 293     -23.609 -13.097  35.228  1.00 93.00           C  
-ATOM   2330  C   SER A 293     -23.474 -12.289  33.942  1.00 93.00           C  
-ATOM   2331  CB  SER A 293     -24.234 -12.229  36.321  1.00 93.00           C  
-ATOM   2332  O   SER A 293     -22.378 -11.844  33.595  1.00 93.00           O  
-ATOM   2333  OG  SER A 293     -23.423 -11.098  36.591  1.00 93.00           O  
-ATOM   2334  N   ASN A 294     -24.461 -12.145  33.124  1.00 93.69           N  
-ATOM   2335  CA  ASN A 294     -24.477 -11.389  31.876  1.00 93.69           C  
-ATOM   2336  C   ASN A 294     -24.724  -9.904  32.124  1.00 93.69           C  
-ATOM   2337  CB  ASN A 294     -25.531 -11.951  30.921  1.00 93.69           C  
-ATOM   2338  O   ASN A 294     -25.521  -9.277  31.422  1.00 93.69           O  
-ATOM   2339  CG  ASN A 294     -25.093 -13.244  30.261  1.00 93.69           C  
-ATOM   2340  ND2 ASN A 294     -26.011 -14.196  30.154  1.00 93.69           N  
-ATOM   2341  OD1 ASN A 294     -23.937 -13.385  29.853  1.00 93.69           O  
-ATOM   2342  N   THR A 295     -24.025  -9.454  33.224  1.00 94.54           N  
-ATOM   2343  CA  THR A 295     -23.996  -8.019  33.484  1.00 94.54           C  
-ATOM   2344  C   THR A 295     -22.771  -7.377  32.841  1.00 94.54           C  
-ATOM   2345  CB  THR A 295     -23.999  -7.725  34.996  1.00 94.54           C  
-ATOM   2346  O   THR A 295     -21.762  -8.047  32.610  1.00 94.54           O  
-ATOM   2347  CG2 THR A 295     -25.226  -8.328  35.671  1.00 94.54           C  
-ATOM   2348  OG1 THR A 295     -22.819  -8.284  35.587  1.00 94.54           O  
-ATOM   2349  N   TYR A 296     -22.929  -6.149  32.474  1.00 95.31           N  
-ATOM   2350  CA  TYR A 296     -21.843  -5.422  31.825  1.00 95.31           C  
-ATOM   2351  C   TYR A 296     -20.550  -5.550  32.620  1.00 95.31           C  
-ATOM   2352  CB  TYR A 296     -22.210  -3.944  31.659  1.00 95.31           C  
-ATOM   2353  O   TYR A 296     -19.506  -5.903  32.067  1.00 95.31           O  
-ATOM   2354  CG  TYR A 296     -21.050  -3.074  31.241  1.00 95.31           C  
-ATOM   2355  CD1 TYR A 296     -20.372  -2.290  32.171  1.00 95.31           C  
-ATOM   2356  CD2 TYR A 296     -20.630  -3.034  29.916  1.00 95.31           C  
-ATOM   2357  CE1 TYR A 296     -19.303  -1.485  31.790  1.00 95.31           C  
-ATOM   2358  CE2 TYR A 296     -19.562  -2.233  29.524  1.00 95.31           C  
-ATOM   2359  OH  TYR A 296     -17.849  -0.668  30.084  1.00 95.31           O  
-ATOM   2360  CZ  TYR A 296     -18.906  -1.463  30.467  1.00 95.31           C  
-ATOM   2361  N   GLU A 297     -20.571  -5.341  33.868  1.00 94.75           N  
-ATOM   2362  CA  GLU A 297     -19.394  -5.273  34.730  1.00 94.75           C  
-ATOM   2363  C   GLU A 297     -18.645  -6.602  34.746  1.00 94.75           C  
-ATOM   2364  CB  GLU A 297     -19.793  -4.877  36.154  1.00 94.75           C  
-ATOM   2365  O   GLU A 297     -17.437  -6.643  34.500  1.00 94.75           O  
-ATOM   2366  CG  GLU A 297     -20.304  -3.448  36.274  1.00 94.75           C  
-ATOM   2367  CD  GLU A 297     -21.752  -3.290  35.838  1.00 94.75           C  
-ATOM   2368  OE1 GLU A 297     -22.195  -2.142  35.608  1.00 94.75           O  
-ATOM   2369  OE2 GLU A 297     -22.449  -4.323  35.726  1.00 94.75           O  
-ATOM   2370  N   GLU A 298     -19.357  -7.717  34.975  1.00 95.41           N  
-ATOM   2371  CA  GLU A 298     -18.716  -9.023  35.102  1.00 95.41           C  
-ATOM   2372  C   GLU A 298     -18.227  -9.532  33.749  1.00 95.41           C  
-ATOM   2373  CB  GLU A 298     -19.679 -10.036  35.727  1.00 95.41           C  
-ATOM   2374  O   GLU A 298     -17.114 -10.052  33.641  1.00 95.41           O  
-ATOM   2375  CG  GLU A 298     -19.900  -9.834  37.219  1.00 95.41           C  
-ATOM   2376  CD  GLU A 298     -20.581 -11.016  37.890  1.00 95.41           C  
-ATOM   2377  OE1 GLU A 298     -20.995 -10.892  39.065  1.00 95.41           O  
-ATOM   2378  OE2 GLU A 298     -20.701 -12.076  37.236  1.00 95.41           O  
-ATOM   2379  N   ALA A 299     -19.041  -9.295  32.757  1.00 96.71           N  
-ATOM   2380  CA  ALA A 299     -18.702  -9.788  31.425  1.00 96.71           C  
-ATOM   2381  C   ALA A 299     -17.520  -9.020  30.840  1.00 96.71           C  
-ATOM   2382  CB  ALA A 299     -19.910  -9.688  30.497  1.00 96.71           C  
-ATOM   2383  O   ALA A 299     -16.593  -9.618  30.290  1.00 96.71           O  
-ATOM   2384  N   ALA A 300     -17.588  -7.684  30.977  1.00 96.91           N  
-ATOM   2385  CA  ALA A 300     -16.502  -6.848  30.472  1.00 96.91           C  
-ATOM   2386  C   ALA A 300     -15.190  -7.165  31.184  1.00 96.91           C  
-ATOM   2387  CB  ALA A 300     -16.848  -5.370  30.634  1.00 96.91           C  
-ATOM   2388  O   ALA A 300     -14.137  -7.254  30.548  1.00 96.91           O  
-ATOM   2389  N   ALA A 301     -15.244  -7.361  32.457  1.00 96.40           N  
-ATOM   2390  CA  ALA A 301     -14.065  -7.703  33.248  1.00 96.40           C  
-ATOM   2391  C   ALA A 301     -13.482  -9.044  32.811  1.00 96.40           C  
-ATOM   2392  CB  ALA A 301     -14.414  -7.737  34.734  1.00 96.40           C  
-ATOM   2393  O   ALA A 301     -12.261  -9.208  32.756  1.00 96.40           O  
-ATOM   2394  N   TYR A 302     -14.354  -9.956  32.523  1.00 97.18           N  
-ATOM   2395  CA  TYR A 302     -13.917 -11.269  32.063  1.00 97.18           C  
-ATOM   2396  C   TYR A 302     -13.169 -11.163  30.740  1.00 97.18           C  
-ATOM   2397  CB  TYR A 302     -15.114 -12.212  31.912  1.00 97.18           C  
-ATOM   2398  O   TYR A 302     -12.105 -11.763  30.571  1.00 97.18           O  
-ATOM   2399  CG  TYR A 302     -14.732 -13.623  31.534  1.00 97.18           C  
-ATOM   2400  CD1 TYR A 302     -14.812 -14.056  30.213  1.00 97.18           C  
-ATOM   2401  CD2 TYR A 302     -14.292 -14.525  32.497  1.00 97.18           C  
-ATOM   2402  CE1 TYR A 302     -14.463 -15.356  29.860  1.00 97.18           C  
-ATOM   2403  CE2 TYR A 302     -13.940 -15.826  32.155  1.00 97.18           C  
-ATOM   2404  OH  TYR A 302     -13.682 -17.519  30.493  1.00 97.18           O  
-ATOM   2405  CZ  TYR A 302     -14.029 -16.232  30.836  1.00 97.18           C  
-ATOM   2406  N   ILE A 303     -13.735 -10.442  29.821  1.00 97.56           N  
-ATOM   2407  CA  ILE A 303     -13.106 -10.265  28.517  1.00 97.56           C  
-ATOM   2408  C   ILE A 303     -11.749  -9.586  28.687  1.00 97.56           C  
-ATOM   2409  CB  ILE A 303     -14.002  -9.441  27.565  1.00 97.56           C  
-ATOM   2410  O   ILE A 303     -10.768  -9.978  28.050  1.00 97.56           O  
-ATOM   2411  CG1 ILE A 303     -15.270 -10.227  27.212  1.00 97.56           C  
-ATOM   2412  CG2 ILE A 303     -13.230  -9.051  26.301  1.00 97.56           C  
-ATOM   2413  CD1 ILE A 303     -16.278  -9.438  26.387  1.00 97.56           C  
-ATOM   2414  N   GLN A 304     -11.765  -8.594  29.550  1.00 96.95           N  
-ATOM   2415  CA  GLN A 304     -10.504  -7.928  29.859  1.00 96.95           C  
-ATOM   2416  C   GLN A 304      -9.453  -8.931  30.327  1.00 96.95           C  
-ATOM   2417  CB  GLN A 304     -10.712  -6.850  30.924  1.00 96.95           C  
-ATOM   2418  O   GLN A 304      -8.324  -8.932  29.833  1.00 96.95           O  
-ATOM   2419  CG  GLN A 304      -9.430  -6.145  31.344  1.00 96.95           C  
-ATOM   2420  CD  GLN A 304      -9.656  -5.118  32.438  1.00 96.95           C  
-ATOM   2421  NE2 GLN A 304      -8.570  -4.545  32.946  1.00 96.95           N  
-ATOM   2422  OE1 GLN A 304     -10.797  -4.843  32.823  1.00 96.95           O  
-ATOM   2423  N   CYS A 305      -9.807  -9.739  31.201  1.00 95.60           N  
-ATOM   2424  CA  CYS A 305      -8.900 -10.742  31.748  1.00 95.60           C  
-ATOM   2425  C   CYS A 305      -8.415 -11.690  30.658  1.00 95.60           C  
-ATOM   2426  CB  CYS A 305      -9.586 -11.536  32.859  1.00 95.60           C  
-ATOM   2427  O   CYS A 305      -7.237 -12.053  30.625  1.00 95.60           O  
-ATOM   2428  SG  CYS A 305      -9.733 -10.632  34.416  1.00 95.60           S  
-ATOM   2429  N   GLN A 306      -9.258 -12.051  29.780  1.00 96.72           N  
-ATOM   2430  CA  GLN A 306      -8.898 -12.953  28.691  1.00 96.72           C  
-ATOM   2431  C   GLN A 306      -7.795 -12.354  27.823  1.00 96.72           C  
-ATOM   2432  CB  GLN A 306     -10.122 -13.277  27.834  1.00 96.72           C  
-ATOM   2433  O   GLN A 306      -6.855 -13.052  27.435  1.00 96.72           O  
-ATOM   2434  CG  GLN A 306     -11.151 -14.153  28.537  1.00 96.72           C  
-ATOM   2435  CD  GLN A 306     -10.594 -15.506  28.937  1.00 96.72           C  
-ATOM   2436  NE2 GLN A 306     -10.801 -15.885  30.193  1.00 96.72           N  
-ATOM   2437  OE1 GLN A 306      -9.983 -16.206  28.123  1.00 96.72           O  
-ATOM   2438  N   PHE A 307      -7.865 -11.113  27.564  1.00 97.19           N  
-ATOM   2439  CA  PHE A 307      -6.865 -10.446  26.738  1.00 97.19           C  
-ATOM   2440  C   PHE A 307      -5.569 -10.245  27.514  1.00 97.19           C  
-ATOM   2441  CB  PHE A 307      -7.392  -9.098  26.238  1.00 97.19           C  
-ATOM   2442  O   PHE A 307      -4.479 -10.468  26.982  1.00 97.19           O  
-ATOM   2443  CG  PHE A 307      -8.183  -9.192  24.961  1.00 97.19           C  
-ATOM   2444  CD1 PHE A 307      -7.562  -9.026  23.729  1.00 97.19           C  
-ATOM   2445  CD2 PHE A 307      -9.548  -9.446  24.993  1.00 97.19           C  
-ATOM   2446  CE1 PHE A 307      -8.292  -9.112  22.545  1.00 97.19           C  
-ATOM   2447  CE2 PHE A 307     -10.284  -9.533  23.815  1.00 97.19           C  
-ATOM   2448  CZ  PHE A 307      -9.654  -9.365  22.592  1.00 97.19           C  
-ATOM   2449  N   GLU A 308      -5.680  -9.866  28.746  1.00 94.82           N  
-ATOM   2450  CA  GLU A 308      -4.494  -9.616  29.559  1.00 94.82           C  
-ATOM   2451  C   GLU A 308      -3.707 -10.902  29.796  1.00 94.82           C  
-ATOM   2452  CB  GLU A 308      -4.883  -8.983  30.897  1.00 94.82           C  
-ATOM   2453  O   GLU A 308      -2.478 -10.875  29.892  1.00 94.82           O  
-ATOM   2454  CG  GLU A 308      -5.314  -7.528  30.787  1.00 94.82           C  
-ATOM   2455  CD  GLU A 308      -5.731  -6.923  32.118  1.00 94.82           C  
-ATOM   2456  OE1 GLU A 308      -5.898  -5.684  32.197  1.00 94.82           O  
-ATOM   2457  OE2 GLU A 308      -5.892  -7.693  33.091  1.00 94.82           O  
-ATOM   2458  N   ASP A 309      -4.385 -11.990  29.824  1.00 94.94           N  
-ATOM   2459  CA  ASP A 309      -3.759 -13.284  30.078  1.00 94.94           C  
-ATOM   2460  C   ASP A 309      -2.950 -13.750  28.869  1.00 94.94           C  
-ATOM   2461  CB  ASP A 309      -4.816 -14.330  30.439  1.00 94.94           C  
-ATOM   2462  O   ASP A 309      -2.140 -14.673  28.976  1.00 94.94           O  
-ATOM   2463  CG  ASP A 309      -5.333 -14.185  31.859  1.00 94.94           C  
-ATOM   2464  OD1 ASP A 309      -4.725 -13.438  32.656  1.00 94.94           O  
-ATOM   2465  OD2 ASP A 309      -6.355 -14.826  32.186  1.00 94.94           O  
-ATOM   2466  N   LEU A 310      -3.168 -13.086  27.756  1.00 95.14           N  
-ATOM   2467  CA  LEU A 310      -2.442 -13.461  26.548  1.00 95.14           C  
-ATOM   2468  C   LEU A 310      -1.024 -12.900  26.569  1.00 95.14           C  
-ATOM   2469  CB  LEU A 310      -3.181 -12.964  25.302  1.00 95.14           C  
-ATOM   2470  O   LEU A 310      -0.182 -13.296  25.760  1.00 95.14           O  
-ATOM   2471  CG  LEU A 310      -4.513 -13.647  24.987  1.00 95.14           C  
-ATOM   2472  CD1 LEU A 310      -5.196 -12.959  23.811  1.00 95.14           C  
-ATOM   2473  CD2 LEU A 310      -4.299 -15.129  24.696  1.00 95.14           C  
-ATOM   2474  N   ASN A 311      -0.772 -11.989  27.483  1.00 93.05           N  
-ATOM   2475  CA  ASN A 311       0.556 -11.411  27.658  1.00 93.05           C  
-ATOM   2476  C   ASN A 311       1.509 -12.392  28.336  1.00 93.05           C  
-ATOM   2477  CB  ASN A 311       0.475 -10.110  28.459  1.00 93.05           C  
-ATOM   2478  O   ASN A 311       1.389 -12.653  29.534  1.00 93.05           O  
-ATOM   2479  CG  ASN A 311       1.823  -9.434  28.612  1.00 93.05           C  
-ATOM   2480  ND2 ASN A 311       1.895  -8.450  29.501  1.00 93.05           N  
-ATOM   2481  OD1 ASN A 311       2.791  -9.792  27.937  1.00 93.05           O  
-ATOM   2482  N   LYS A 312       2.484 -12.885  27.620  1.00 91.08           N  
-ATOM   2483  CA  LYS A 312       3.409 -13.906  28.106  1.00 91.08           C  
-ATOM   2484  C   LYS A 312       4.553 -13.279  28.897  1.00 91.08           C  
-ATOM   2485  CB  LYS A 312       3.965 -14.725  26.940  1.00 91.08           C  
-ATOM   2486  O   LYS A 312       5.287 -13.979  29.597  1.00 91.08           O  
-ATOM   2487  CG  LYS A 312       2.919 -15.560  26.215  1.00 91.08           C  
-ATOM   2488  CD  LYS A 312       3.535 -16.361  25.076  1.00 91.08           C  
-ATOM   2489  CE  LYS A 312       2.487 -17.187  24.342  1.00 91.08           C  
-ATOM   2490  NZ  LYS A 312       3.071 -17.910  23.172  1.00 91.08           N  
-ATOM   2491  N   ARG A 313       4.658 -11.982  28.884  1.00 85.13           N  
-ATOM   2492  CA  ARG A 313       5.706 -11.251  29.591  1.00 85.13           C  
-ATOM   2493  C   ARG A 313       5.111 -10.326  30.647  1.00 85.13           C  
-ATOM   2494  CB  ARG A 313       6.556 -10.445  28.607  1.00 85.13           C  
-ATOM   2495  O   ARG A 313       5.442  -9.139  30.698  1.00 85.13           O  
-ATOM   2496  CG  ARG A 313       7.272 -11.296  27.570  1.00 85.13           C  
-ATOM   2497  CD  ARG A 313       8.057 -10.442  26.584  1.00 85.13           C  
-ATOM   2498  NE  ARG A 313       7.197  -9.905  25.533  1.00 85.13           N  
-ATOM   2499  NH1 ARG A 313       8.903  -8.839  24.396  1.00 85.13           N  
-ATOM   2500  NH2 ARG A 313       6.751  -8.720  23.617  1.00 85.13           N  
-ATOM   2501  CZ  ARG A 313       7.619  -9.156  24.518  1.00 85.13           C  
-ATOM   2502  N   LYS A 314       4.293 -10.866  31.555  1.00 82.99           N  
-ATOM   2503  CA  LYS A 314       3.550 -10.060  32.520  1.00 82.99           C  
-ATOM   2504  C   LYS A 314       4.490  -9.410  33.531  1.00 82.99           C  
-ATOM   2505  CB  LYS A 314       2.510 -10.915  33.245  1.00 82.99           C  
-ATOM   2506  O   LYS A 314       4.165  -8.370  34.109  1.00 82.99           O  
-ATOM   2507  CG  LYS A 314       1.334 -11.331  32.374  1.00 82.99           C  
-ATOM   2508  CD  LYS A 314       0.286 -12.093  33.175  1.00 82.99           C  
-ATOM   2509  CE  LYS A 314      -0.876 -12.537  32.297  1.00 82.99           C  
-ATOM   2510  NZ  LYS A 314      -1.915 -13.269  33.082  1.00 82.99           N  
-ATOM   2511  N   ASP A 315       5.675  -9.967  33.632  1.00 81.57           N  
-ATOM   2512  CA  ASP A 315       6.614  -9.488  34.642  1.00 81.57           C  
-ATOM   2513  C   ASP A 315       7.377  -8.262  34.145  1.00 81.57           C  
-ATOM   2514  CB  ASP A 315       7.595 -10.596  35.032  1.00 81.57           C  
-ATOM   2515  O   ASP A 315       7.785  -7.414  34.941  1.00 81.57           O  
-ATOM   2516  CG  ASP A 315       8.213 -11.290  33.831  1.00 81.57           C  
-ATOM   2517  OD1 ASP A 315       7.535 -11.426  32.789  1.00 81.57           O  
-ATOM   2518  OD2 ASP A 315       9.387 -11.709  33.928  1.00 81.57           O  
-ATOM   2519  N   THR A 316       7.476  -8.190  32.858  1.00 81.86           N  
-ATOM   2520  CA  THR A 316       8.333  -7.132  32.335  1.00 81.86           C  
-ATOM   2521  C   THR A 316       7.521  -6.136  31.512  1.00 81.86           C  
-ATOM   2522  CB  THR A 316       9.470  -7.709  31.472  1.00 81.86           C  
-ATOM   2523  O   THR A 316       7.957  -5.004  31.290  1.00 81.86           O  
-ATOM   2524  CG2 THR A 316      10.417  -8.562  32.310  1.00 81.86           C  
-ATOM   2525  OG1 THR A 316       8.909  -8.519  30.432  1.00 81.86           O  
-ATOM   2526  N   LYS A 317       6.292  -6.546  31.092  1.00 83.15           N  
-ATOM   2527  CA  LYS A 317       5.507  -5.713  30.185  1.00 83.15           C  
-ATOM   2528  C   LYS A 317       4.070  -5.566  30.678  1.00 83.15           C  
-ATOM   2529  CB  LYS A 317       5.520  -6.298  28.772  1.00 83.15           C  
-ATOM   2530  O   LYS A 317       3.329  -6.548  30.746  1.00 83.15           O  
-ATOM   2531  CG  LYS A 317       4.933  -5.375  27.714  1.00 83.15           C  
-ATOM   2532  CD  LYS A 317       5.165  -5.916  26.309  1.00 83.15           C  
-ATOM   2533  CE  LYS A 317       4.683  -4.938  25.246  1.00 83.15           C  
-ATOM   2534  NZ  LYS A 317       5.030  -5.402  23.869  1.00 83.15           N  
-ATOM   2535  N   GLU A 318       3.750  -4.371  31.004  1.00 85.14           N  
-ATOM   2536  CA  GLU A 318       2.403  -4.083  31.487  1.00 85.14           C  
-ATOM   2537  C   GLU A 318       1.495  -3.628  30.348  1.00 85.14           C  
-ATOM   2538  CB  GLU A 318       2.442  -3.017  32.585  1.00 85.14           C  
-ATOM   2539  O   GLU A 318       1.887  -2.795  29.528  1.00 85.14           O  
-ATOM   2540  CG  GLU A 318       1.105  -2.798  33.277  1.00 85.14           C  
-ATOM   2541  CD  GLU A 318       1.189  -1.842  34.456  1.00 85.14           C  
-ATOM   2542  OE1 GLU A 318       0.197  -1.720  35.211  1.00 85.14           O  
-ATOM   2543  OE2 GLU A 318       2.255  -1.209  34.627  1.00 85.14           O  
-ATOM   2544  N   ILE A 319       0.290  -4.238  30.257  1.00 91.38           N  
-ATOM   2545  CA  ILE A 319      -0.724  -3.840  29.286  1.00 91.38           C  
-ATOM   2546  C   ILE A 319      -1.720  -2.886  29.941  1.00 91.38           C  
-ATOM   2547  CB  ILE A 319      -1.461  -5.067  28.704  1.00 91.38           C  
-ATOM   2548  O   ILE A 319      -2.313  -3.210  30.973  1.00 91.38           O  
-ATOM   2549  CG1 ILE A 319      -0.473  -5.989  27.980  1.00 91.38           C  
-ATOM   2550  CG2 ILE A 319      -2.586  -4.625  27.764  1.00 91.38           C  
-ATOM   2551  CD1 ILE A 319      -1.092  -7.286  27.477  1.00 91.38           C  
-ATOM   2552  N   TYR A 320      -1.852  -1.675  29.340  1.00 92.17           N  
-ATOM   2553  CA  TYR A 320      -2.787  -0.683  29.859  1.00 92.17           C  
-ATOM   2554  C   TYR A 320      -4.144  -0.802  29.174  1.00 92.17           C  
-ATOM   2555  CB  TYR A 320      -2.230   0.731  29.670  1.00 92.17           C  
-ATOM   2556  O   TYR A 320      -4.267  -0.538  27.976  1.00 92.17           O  
-ATOM   2557  CG  TYR A 320      -0.900   0.955  30.348  1.00 92.17           C  
-ATOM   2558  CD1 TYR A 320      -0.833   1.366  31.677  1.00 92.17           C  
-ATOM   2559  CD2 TYR A 320       0.293   0.757  29.660  1.00 92.17           C  
-ATOM   2560  CE1 TYR A 320       0.390   1.575  32.305  1.00 92.17           C  
-ATOM   2561  CE2 TYR A 320       1.522   0.963  30.278  1.00 92.17           C  
-ATOM   2562  OH  TYR A 320       2.774   1.577  32.215  1.00 92.17           O  
-ATOM   2563  CZ  TYR A 320       1.560   1.371  31.599  1.00 92.17           C  
-ATOM   2564  N   THR A 321      -5.100  -1.164  29.974  1.00 95.38           N  
-ATOM   2565  CA  THR A 321      -6.405  -1.479  29.404  1.00 95.38           C  
-ATOM   2566  C   THR A 321      -7.423  -0.398  29.753  1.00 95.38           C  
-ATOM   2567  CB  THR A 321      -6.915  -2.846  29.898  1.00 95.38           C  
-ATOM   2568  O   THR A 321      -7.485   0.059  30.896  1.00 95.38           O  
-ATOM   2569  CG2 THR A 321      -8.226  -3.223  29.218  1.00 95.38           C  
-ATOM   2570  OG1 THR A 321      -5.933  -3.849  29.607  1.00 95.38           O  
-ATOM   2571  N   HIS A 322      -8.218   0.027  28.707  1.00 96.12           N  
-ATOM   2572  CA  HIS A 322      -9.268   1.024  28.883  1.00 96.12           C  
-ATOM   2573  C   HIS A 322     -10.548   0.609  28.166  1.00 96.12           C  
-ATOM   2574  CB  HIS A 322      -8.801   2.389  28.374  1.00 96.12           C  
-ATOM   2575  O   HIS A 322     -10.497   0.059  27.063  1.00 96.12           O  
-ATOM   2576  CG  HIS A 322      -7.611   2.927  29.104  1.00 96.12           C  
-ATOM   2577  CD2 HIS A 322      -6.287   2.834  28.837  1.00 96.12           C  
-ATOM   2578  ND1 HIS A 322      -7.720   3.660  30.266  1.00 96.12           N  
-ATOM   2579  CE1 HIS A 322      -6.511   3.996  30.682  1.00 96.12           C  
-ATOM   2580  NE2 HIS A 322      -5.624   3.507  29.833  1.00 96.12           N  
-ATOM   2581  N   PHE A 323     -11.630   0.848  28.861  1.00 96.72           N  
-ATOM   2582  CA  PHE A 323     -12.919   0.710  28.193  1.00 96.72           C  
-ATOM   2583  C   PHE A 323     -13.301   2.002  27.481  1.00 96.72           C  
-ATOM   2584  CB  PHE A 323     -14.008   0.324  29.199  1.00 96.72           C  
-ATOM   2585  O   PHE A 323     -13.330   3.070  28.095  1.00 96.72           O  
-ATOM   2586  CG  PHE A 323     -13.799  -1.026  29.832  1.00 96.72           C  
-ATOM   2587  CD1 PHE A 323     -14.255  -2.180  29.207  1.00 96.72           C  
-ATOM   2588  CD2 PHE A 323     -13.145  -1.140  31.052  1.00 96.72           C  
-ATOM   2589  CE1 PHE A 323     -14.063  -3.430  29.790  1.00 96.72           C  
-ATOM   2590  CE2 PHE A 323     -12.950  -2.386  31.641  1.00 96.72           C  
-ATOM   2591  CZ  PHE A 323     -13.410  -3.530  31.008  1.00 96.72           C  
-ATOM   2592  N   THR A 324     -13.592   1.833  26.133  1.00 96.44           N  
-ATOM   2593  CA  THR A 324     -13.726   3.066  25.366  1.00 96.44           C  
-ATOM   2594  C   THR A 324     -15.003   3.047  24.531  1.00 96.44           C  
-ATOM   2595  CB  THR A 324     -12.511   3.286  24.446  1.00 96.44           C  
-ATOM   2596  O   THR A 324     -15.546   1.979  24.240  1.00 96.44           O  
-ATOM   2597  CG2 THR A 324     -11.228   3.436  25.257  1.00 96.44           C  
-ATOM   2598  OG1 THR A 324     -12.378   2.166  23.564  1.00 96.44           O  
-ATOM   2599  N   CYS A 325     -15.525   4.230  24.304  1.00 95.72           N  
-ATOM   2600  CA  CYS A 325     -16.505   4.533  23.267  1.00 95.72           C  
-ATOM   2601  C   CYS A 325     -15.968   5.582  22.300  1.00 95.72           C  
-ATOM   2602  CB  CYS A 325     -17.811   5.023  23.891  1.00 95.72           C  
-ATOM   2603  O   CYS A 325     -15.967   6.775  22.608  1.00 95.72           O  
-ATOM   2604  SG  CYS A 325     -19.113   5.358  22.685  1.00 95.72           S  
-ATOM   2605  N   ALA A 326     -15.608   5.103  21.150  1.00 94.17           N  
-ATOM   2606  CA  ALA A 326     -14.875   5.957  20.218  1.00 94.17           C  
-ATOM   2607  C   ALA A 326     -15.769   7.066  19.671  1.00 94.17           C  
-ATOM   2608  CB  ALA A 326     -14.302   5.126  19.073  1.00 94.17           C  
-ATOM   2609  O   ALA A 326     -15.277   8.094  19.201  1.00 94.17           O  
-ATOM   2610  N   THR A 327     -17.053   6.860  19.784  1.00 92.73           N  
-ATOM   2611  CA  THR A 327     -17.969   7.871  19.269  1.00 92.73           C  
-ATOM   2612  C   THR A 327     -18.292   8.907  20.342  1.00 92.73           C  
-ATOM   2613  CB  THR A 327     -19.275   7.234  18.758  1.00 92.73           C  
-ATOM   2614  O   THR A 327     -18.961   9.905  20.068  1.00 92.73           O  
-ATOM   2615  CG2 THR A 327     -19.014   6.341  17.549  1.00 92.73           C  
-ATOM   2616  OG1 THR A 327     -19.856   6.445  19.804  1.00 92.73           O  
-ATOM   2617  N   ASP A 328     -17.855   8.671  21.561  1.00 95.36           N  
-ATOM   2618  CA  ASP A 328     -18.018   9.597  22.677  1.00 95.36           C  
-ATOM   2619  C   ASP A 328     -16.762  10.441  22.880  1.00 95.36           C  
-ATOM   2620  CB  ASP A 328     -18.354   8.836  23.962  1.00 95.36           C  
-ATOM   2621  O   ASP A 328     -15.762   9.956  23.414  1.00 95.36           O  
-ATOM   2622  CG  ASP A 328     -18.691   9.753  25.124  1.00 95.36           C  
-ATOM   2623  OD1 ASP A 328     -18.407  10.968  25.044  1.00 95.36           O  
-ATOM   2624  OD2 ASP A 328     -19.242   9.257  26.130  1.00 95.36           O  
-ATOM   2625  N   THR A 329     -16.833  11.698  22.540  1.00 93.78           N  
-ATOM   2626  CA  THR A 329     -15.679  12.591  22.526  1.00 93.78           C  
-ATOM   2627  C   THR A 329     -15.114  12.766  23.933  1.00 93.78           C  
-ATOM   2628  CB  THR A 329     -16.044  13.967  21.941  1.00 93.78           C  
-ATOM   2629  O   THR A 329     -13.896  12.769  24.122  1.00 93.78           O  
-ATOM   2630  CG2 THR A 329     -14.824  14.879  21.878  1.00 93.78           C  
-ATOM   2631  OG1 THR A 329     -16.567  13.794  20.618  1.00 93.78           O  
-ATOM   2632  N   LYS A 330     -15.921  12.867  24.930  1.00 93.07           N  
-ATOM   2633  CA  LYS A 330     -15.478  13.054  26.308  1.00 93.07           C  
-ATOM   2634  C   LYS A 330     -14.707  11.835  26.808  1.00 93.07           C  
-ATOM   2635  CB  LYS A 330     -16.671  13.331  27.224  1.00 93.07           C  
-ATOM   2636  O   LYS A 330     -13.663  11.974  27.448  1.00 93.07           O  
-ATOM   2637  CG  LYS A 330     -17.288  14.709  27.038  1.00 93.07           C  
-ATOM   2638  CD  LYS A 330     -18.425  14.951  28.023  1.00 93.07           C  
-ATOM   2639  CE  LYS A 330     -19.116  16.282  27.764  1.00 93.07           C  
-ATOM   2640  NZ  LYS A 330     -20.265  16.499  28.693  1.00 93.07           N  
-ATOM   2641  N   ASN A 331     -15.295  10.656  26.515  1.00 93.19           N  
-ATOM   2642  CA  ASN A 331     -14.652   9.404  26.899  1.00 93.19           C  
-ATOM   2643  C   ASN A 331     -13.273   9.264  26.260  1.00 93.19           C  
-ATOM   2644  CB  ASN A 331     -15.533   8.211  26.527  1.00 93.19           C  
-ATOM   2645  O   ASN A 331     -12.298   8.943  26.942  1.00 93.19           O  
-ATOM   2646  CG  ASN A 331     -14.903   6.882  26.894  1.00 93.19           C  
-ATOM   2647  ND2 ASN A 331     -14.803   6.610  28.190  1.00 93.19           N  
-ATOM   2648  OD1 ASN A 331     -14.508   6.106  26.020  1.00 93.19           O  
-ATOM   2649  N   VAL A 332     -13.142   9.558  24.932  1.00 92.74           N  
-ATOM   2650  CA  VAL A 332     -11.893   9.401  24.194  1.00 92.74           C  
-ATOM   2651  C   VAL A 332     -10.864  10.410  24.699  1.00 92.74           C  
-ATOM   2652  CB  VAL A 332     -12.107   9.574  22.673  1.00 92.74           C  
-ATOM   2653  O   VAL A 332      -9.685  10.081  24.848  1.00 92.74           O  
-ATOM   2654  CG1 VAL A 332     -10.768   9.587  21.938  1.00 92.74           C  
-ATOM   2655  CG2 VAL A 332     -13.007   8.464  22.132  1.00 92.74           C  
-ATOM   2656  N   GLN A 333     -11.324  11.599  24.969  1.00 91.15           N  
-ATOM   2657  CA  GLN A 333     -10.421  12.617  25.496  1.00 91.15           C  
-ATOM   2658  C   GLN A 333      -9.821  12.183  26.831  1.00 91.15           C  
-ATOM   2659  CB  GLN A 333     -11.151  13.951  25.658  1.00 91.15           C  
-ATOM   2660  O   GLN A 333      -8.614  12.308  27.045  1.00 91.15           O  
-ATOM   2661  CG  GLN A 333     -10.254  15.092  26.116  1.00 91.15           C  
-ATOM   2662  CD  GLN A 333      -9.233  15.493  25.068  1.00 91.15           C  
-ATOM   2663  NE2 GLN A 333      -8.041  15.873  25.516  1.00 91.15           N  
-ATOM   2664  OE1 GLN A 333      -9.513  15.461  23.866  1.00 91.15           O  
-ATOM   2665  N   PHE A 334     -10.644  11.693  27.729  1.00 89.70           N  
-ATOM   2666  CA  PHE A 334     -10.208  11.238  29.043  1.00 89.70           C  
-ATOM   2667  C   PHE A 334      -9.206  10.097  28.916  1.00 89.70           C  
-ATOM   2668  CB  PHE A 334     -11.407  10.792  29.885  1.00 89.70           C  
-ATOM   2669  O   PHE A 334      -8.159  10.107  29.568  1.00 89.70           O  
-ATOM   2670  CG  PHE A 334     -11.030  10.226  31.227  1.00 89.70           C  
-ATOM   2671  CD1 PHE A 334     -10.928   8.853  31.414  1.00 89.70           C  
-ATOM   2672  CD2 PHE A 334     -10.778  11.068  32.303  1.00 89.70           C  
-ATOM   2673  CE1 PHE A 334     -10.579   8.326  32.656  1.00 89.70           C  
-ATOM   2674  CE2 PHE A 334     -10.429  10.549  33.546  1.00 89.70           C  
-ATOM   2675  CZ  PHE A 334     -10.330   9.178  33.721  1.00 89.70           C  
-ATOM   2676  N   VAL A 335      -9.511   9.110  28.070  1.00 88.75           N  
-ATOM   2677  CA  VAL A 335      -8.689   7.914  27.910  1.00 88.75           C  
-ATOM   2678  C   VAL A 335      -7.351   8.288  27.275  1.00 88.75           C  
-ATOM   2679  CB  VAL A 335      -9.404   6.845  27.055  1.00 88.75           C  
-ATOM   2680  O   VAL A 335      -6.298   7.818  27.711  1.00 88.75           O  
-ATOM   2681  CG1 VAL A 335      -8.454   5.696  26.721  1.00 88.75           C  
-ATOM   2682  CG2 VAL A 335     -10.643   6.323  27.780  1.00 88.75           C  
-ATOM   2683  N   PHE A 336      -7.445   9.185  26.305  1.00 87.20           N  
-ATOM   2684  CA  PHE A 336      -6.215   9.538  25.606  1.00 87.20           C  
-ATOM   2685  C   PHE A 336      -5.309  10.381  26.496  1.00 87.20           C  
-ATOM   2686  CB  PHE A 336      -6.529  10.293  24.311  1.00 87.20           C  
-ATOM   2687  O   PHE A 336      -4.083  10.275  26.420  1.00 87.20           O  
-ATOM   2688  CG  PHE A 336      -5.406  10.274  23.310  1.00 87.20           C  
-ATOM   2689  CD1 PHE A 336      -4.560  11.368  23.172  1.00 87.20           C  
-ATOM   2690  CD2 PHE A 336      -5.195   9.162  22.505  1.00 87.20           C  
-ATOM   2691  CE1 PHE A 336      -3.520  11.354  22.246  1.00 87.20           C  
-ATOM   2692  CE2 PHE A 336      -4.158   9.140  21.578  1.00 87.20           C  
-ATOM   2693  CZ  PHE A 336      -3.322  10.237  21.449  1.00 87.20           C  
-ATOM   2694  N   ASP A 337      -5.851  11.198  27.322  1.00 87.25           N  
-ATOM   2695  CA  ASP A 337      -5.058  11.937  28.300  1.00 87.25           C  
-ATOM   2696  C   ASP A 337      -4.323  10.986  29.243  1.00 87.25           C  
-ATOM   2697  CB  ASP A 337      -5.946  12.890  29.101  1.00 87.25           C  
-ATOM   2698  O   ASP A 337      -3.149  11.196  29.554  1.00 87.25           O  
-ATOM   2699  CG  ASP A 337      -6.388  14.103  28.301  1.00 87.25           C  
-ATOM   2700  OD1 ASP A 337      -5.841  14.340  27.202  1.00 87.25           O  
-ATOM   2701  OD2 ASP A 337      -7.288  14.829  28.774  1.00 87.25           O  
-ATOM   2702  N   ALA A 338      -4.989   9.940  29.662  1.00 85.81           N  
-ATOM   2703  CA  ALA A 338      -4.405   8.932  30.543  1.00 85.81           C  
-ATOM   2704  C   ALA A 338      -3.296   8.160  29.833  1.00 85.81           C  
-ATOM   2705  CB  ALA A 338      -5.482   7.972  31.042  1.00 85.81           C  
-ATOM   2706  O   ALA A 338      -2.243   7.896  30.418  1.00 85.81           O  
-ATOM   2707  N   VAL A 339      -3.528   7.804  28.548  1.00 84.65           N  
-ATOM   2708  CA  VAL A 339      -2.587   7.036  27.740  1.00 84.65           C  
-ATOM   2709  C   VAL A 339      -1.313   7.849  27.518  1.00 84.65           C  
-ATOM   2710  CB  VAL A 339      -3.204   6.630  26.382  1.00 84.65           C  
-ATOM   2711  O   VAL A 339      -0.205   7.321  27.632  1.00 84.65           O  
-ATOM   2712  CG1 VAL A 339      -2.134   6.061  25.452  1.00 84.65           C  
-ATOM   2713  CG2 VAL A 339      -4.329   5.619  26.589  1.00 84.65           C  
-ATOM   2714  N   THR A 340      -1.529   9.116  27.269  1.00 83.18           N  
-ATOM   2715  CA  THR A 340      -0.399   9.998  26.996  1.00 83.18           C  
-ATOM   2716  C   THR A 340       0.469  10.164  28.240  1.00 83.18           C  
-ATOM   2717  CB  THR A 340      -0.873  11.379  26.509  1.00 83.18           C  
-ATOM   2718  O   THR A 340       1.697  10.226  28.143  1.00 83.18           O  
-ATOM   2719  CG2 THR A 340       0.260  12.142  25.831  1.00 83.18           C  
-ATOM   2720  OG1 THR A 340      -1.945  11.208  25.575  1.00 83.18           O  
-ATOM   2721  N   ASP A 341      -0.090  10.173  29.351  1.00 80.72           N  
-ATOM   2722  CA  ASP A 341       0.640  10.279  30.611  1.00 80.72           C  
-ATOM   2723  C   ASP A 341       1.523   9.053  30.839  1.00 80.72           C  
-ATOM   2724  CB  ASP A 341      -0.330  10.452  31.781  1.00 80.72           C  
-ATOM   2725  O   ASP A 341       2.657   9.177  31.306  1.00 80.72           O  
-ATOM   2726  CG  ASP A 341      -0.924  11.848  31.856  1.00 80.72           C  
-ATOM   2727  OD1 ASP A 341      -0.413  12.766  31.180  1.00 80.72           O  
-ATOM   2728  OD2 ASP A 341      -1.911  12.032  32.601  1.00 80.72           O  
-ATOM   2729  N   VAL A 342       0.998   7.936  30.432  1.00 77.76           N  
-ATOM   2730  CA  VAL A 342       1.722   6.676  30.566  1.00 77.76           C  
-ATOM   2731  C   VAL A 342       2.910   6.657  29.607  1.00 77.76           C  
-ATOM   2732  CB  VAL A 342       0.803   5.462  30.301  1.00 77.76           C  
-ATOM   2733  O   VAL A 342       4.010   6.243  29.979  1.00 77.76           O  
-ATOM   2734  CG1 VAL A 342       1.614   4.168  30.266  1.00 77.76           C  
-ATOM   2735  CG2 VAL A 342      -0.293   5.381  31.362  1.00 77.76           C  
-ATOM   2736  N   ILE A 343       2.638   7.121  28.396  1.00 78.83           N  
-ATOM   2737  CA  ILE A 343       3.649   7.112  27.344  1.00 78.83           C  
-ATOM   2738  C   ILE A 343       4.789   8.057  27.716  1.00 78.83           C  
-ATOM   2739  CB  ILE A 343       3.047   7.509  25.978  1.00 78.83           C  
-ATOM   2740  O   ILE A 343       5.963   7.718  27.554  1.00 78.83           O  
-ATOM   2741  CG1 ILE A 343       2.052   6.444  25.502  1.00 78.83           C  
-ATOM   2742  CG2 ILE A 343       4.154   7.725  24.942  1.00 78.83           C  
-ATOM   2743  CD1 ILE A 343       1.275   6.837  24.253  1.00 78.83           C  
-ATOM   2744  N   ILE A 344       4.375   9.175  28.257  1.00 73.52           N  
-ATOM   2745  CA  ILE A 344       5.342  10.204  28.626  1.00 73.52           C  
-ATOM   2746  C   ILE A 344       6.184   9.722  29.805  1.00 73.52           C  
-ATOM   2747  CB  ILE A 344       4.642  11.536  28.976  1.00 73.52           C  
-ATOM   2748  O   ILE A 344       7.399   9.931  29.834  1.00 73.52           O  
-ATOM   2749  CG1 ILE A 344       3.981  12.136  27.730  1.00 73.52           C  
-ATOM   2750  CG2 ILE A 344       5.638  12.522  29.596  1.00 73.52           C  
-ATOM   2751  CD1 ILE A 344       3.142  13.375  28.010  1.00 73.52           C  
-ATOM   2752  N   LYS A 345       5.601   9.078  30.734  1.00 72.15           N  
-ATOM   2753  CA  LYS A 345       6.299   8.534  31.896  1.00 72.15           C  
-ATOM   2754  C   LYS A 345       7.332   7.491  31.479  1.00 72.15           C  
-ATOM   2755  CB  LYS A 345       5.303   7.920  32.881  1.00 72.15           C  
-ATOM   2756  O   LYS A 345       8.455   7.484  31.988  1.00 72.15           O  
-ATOM   2757  CG  LYS A 345       5.854   7.742  34.288  1.00 72.15           C  
-ATOM   2758  CD  LYS A 345       4.814   7.138  35.224  1.00 72.15           C  
-ATOM   2759  CE  LYS A 345       5.396   6.862  36.604  1.00 72.15           C  
-ATOM   2760  NZ  LYS A 345       4.361   6.341  37.547  1.00 72.15           N  
-ATOM   2761  N   ASN A 346       7.018   6.676  30.507  1.00 68.96           N  
-ATOM   2762  CA  ASN A 346       7.903   5.604  30.064  1.00 68.96           C  
-ATOM   2763  C   ASN A 346       9.041   6.138  29.199  1.00 68.96           C  
-ATOM   2764  CB  ASN A 346       7.115   4.535  29.304  1.00 68.96           C  
-ATOM   2765  O   ASN A 346      10.160   5.625  29.251  1.00 68.96           O  
-ATOM   2766  CG  ASN A 346       6.317   3.633  30.225  1.00 68.96           C  
-ATOM   2767  ND2 ASN A 346       5.349   2.919  29.663  1.00 68.96           N  
-ATOM   2768  OD1 ASN A 346       6.569   3.578  31.432  1.00 68.96           O  
-ATOM   2769  N   ASN A 347       8.681   7.174  28.338  1.00 64.47           N  
-ATOM   2770  CA  ASN A 347       9.684   7.755  27.453  1.00 64.47           C  
-ATOM   2771  C   ASN A 347      10.709   8.576  28.230  1.00 64.47           C  
-ATOM   2772  CB  ASN A 347       9.018   8.617  26.378  1.00 64.47           C  
-ATOM   2773  O   ASN A 347      11.880   8.634  27.851  1.00 64.47           O  
-ATOM   2774  CG  ASN A 347       8.710   7.840  25.114  1.00 64.47           C  
-ATOM   2775  ND2 ASN A 347       7.668   8.254  24.402  1.00 64.47           N  
-ATOM   2776  OD1 ASN A 347       9.402   6.874  24.780  1.00 64.47           O  
-ATOM   2777  N   LEU A 348      10.274   9.292  29.316  1.00 54.81           N  
-ATOM   2778  CA  LEU A 348      11.172  10.082  30.151  1.00 54.81           C  
-ATOM   2779  C   LEU A 348      12.101   9.180  30.956  1.00 54.81           C  
-ATOM   2780  CB  LEU A 348      10.372  10.983  31.096  1.00 54.81           C  
-ATOM   2781  O   LEU A 348      13.237   9.557  31.251  1.00 54.81           O  
-ATOM   2782  CG  LEU A 348       9.727  12.220  30.469  1.00 54.81           C  
-ATOM   2783  CD1 LEU A 348       8.669  12.797  31.403  1.00 54.81           C  
-ATOM   2784  CD2 LEU A 348      10.785  13.267  30.140  1.00 54.81           C  
-ATOM   2785  N   LYS A 349      11.731   7.944  31.257  1.00 53.20           N  
-ATOM   2786  CA  LYS A 349      12.652   7.026  31.920  1.00 53.20           C  
-ATOM   2787  C   LYS A 349      13.818   6.661  31.006  1.00 53.20           C  
-ATOM   2788  CB  LYS A 349      11.920   5.759  32.366  1.00 53.20           C  
-ATOM   2789  O   LYS A 349      14.955   6.527  31.464  1.00 53.20           O  
-ATOM   2790  CG  LYS A 349      11.122   5.926  33.651  1.00 53.20           C  
-ATOM   2791  CD  LYS A 349      10.533   4.601  34.119  1.00 53.20           C  
-ATOM   2792  CE  LYS A 349       9.649   4.783  35.345  1.00 53.20           C  
-ATOM   2793  NZ  LYS A 349       9.062   3.488  35.802  1.00 53.20           N  
-ATOM   2794  N   ASP A 350      13.644   6.640  29.692  1.00 50.43           N  
-ATOM   2795  CA  ASP A 350      14.685   6.248  28.747  1.00 50.43           C  
-ATOM   2796  C   ASP A 350      15.605   7.424  28.425  1.00 50.43           C  
-ATOM   2797  CB  ASP A 350      14.064   5.699  27.461  1.00 50.43           C  
-ATOM   2798  O   ASP A 350      16.776   7.230  28.093  1.00 50.43           O  
-ATOM   2799  CG  ASP A 350      13.500   4.299  27.627  1.00 50.43           C  
-ATOM   2800  OD1 ASP A 350      13.869   3.603  28.597  1.00 50.43           O  
-ATOM   2801  OD2 ASP A 350      12.680   3.887  26.778  1.00 50.43           O  
-ATOM   2802  N   CYS A 351      15.185   8.670  28.675  1.00 45.20           N  
-ATOM   2803  CA  CYS A 351      16.000   9.840  28.369  1.00 45.20           C  
-ATOM   2804  C   CYS A 351      16.812  10.272  29.584  1.00 45.20           C  
-ATOM   2805  CB  CYS A 351      15.122  10.996  27.893  1.00 45.20           C  
-ATOM   2806  O   CYS A 351      17.607  11.210  29.503  1.00 45.20           O  
-ATOM   2807  SG  CYS A 351      14.345  10.709  26.288  1.00 45.20           S  
-ATOM   2808  N   GLY A 352      16.919   9.394  30.699  1.00 37.28           N  
-ATOM   2809  CA  GLY A 352      17.781   9.701  31.830  1.00 37.28           C  
-ATOM   2810  C   GLY A 352      17.289  10.878  32.652  1.00 37.28           C  
-ATOM   2811  O   GLY A 352      18.050  11.461  33.427  1.00 37.28           O  
-ATOM   2812  N   LEU A 353      16.097  11.363  32.520  1.00 33.54           N  
-ATOM   2813  CA  LEU A 353      15.617  12.428  33.393  1.00 33.54           C  
-ATOM   2814  C   LEU A 353      14.832  11.854  34.569  1.00 33.54           C  
-ATOM   2815  CB  LEU A 353      14.741  13.410  32.611  1.00 33.54           C  
-ATOM   2816  O   LEU A 353      14.371  12.600  35.435  1.00 33.54           O  
-ATOM   2817  CG  LEU A 353      15.478  14.455  31.772  1.00 33.54           C  
-ATOM   2818  CD1 LEU A 353      14.612  14.898  30.597  1.00 33.54           C  
-ATOM   2819  CD2 LEU A 353      15.873  15.650  32.632  1.00 33.54           C  
-ATOM   2820  N   PHE A 354      15.189  10.630  35.034  1.00 36.01           N  
-ATOM   2821  CA  PHE A 354      15.047  10.184  36.415  1.00 36.01           C  
-ATOM   2822  C   PHE A 354      16.276   9.400  36.860  1.00 36.01           C  
-ATOM   2823  CB  PHE A 354      13.789   9.326  36.578  1.00 36.01           C  
-ATOM   2824  O   PHE A 354      16.842   8.629  36.082  1.00 36.01           O  
-ATOM   2825  CG  PHE A 354      12.505  10.100  36.453  1.00 36.01           C  
-ATOM   2826  CD1 PHE A 354      11.996  10.809  37.534  1.00 36.01           C  
-ATOM   2827  CD2 PHE A 354      11.806  10.120  35.253  1.00 36.01           C  
-ATOM   2828  CE1 PHE A 354      10.808  11.527  37.421  1.00 36.01           C  
-ATOM   2829  CE2 PHE A 354      10.618  10.835  35.132  1.00 36.01           C  
-ATOM   2830  CZ  PHE A 354      10.120  11.537  36.218  1.00 36.01           C  
-ATOM   2831  N   MET B 555     -26.526 -29.230 -18.031  1.00 56.27           N  
-ATOM   2832  CA  MET B 555     -25.227 -28.637 -17.727  1.00 56.27           C  
-ATOM   2833  C   MET B 555     -25.251 -27.129 -17.957  1.00 56.27           C  
-ATOM   2834  CB  MET B 555     -24.129 -29.278 -18.578  1.00 56.27           C  
-ATOM   2835  O   MET B 555     -25.733 -26.662 -18.990  1.00 56.27           O  
-ATOM   2836  CG  MET B 555     -22.816 -29.473 -17.839  1.00 56.27           C  
-ATOM   2837  SD  MET B 555     -21.521 -30.233 -18.894  1.00 56.27           S  
-ATOM   2838  CE  MET B 555     -21.955 -31.986 -18.721  1.00 56.27           C  
-ATOM   2839  N   SER B 556     -25.203 -26.317 -16.990  1.00 78.47           N  
-ATOM   2840  CA  SER B 556     -25.307 -24.863 -17.043  1.00 78.47           C  
-ATOM   2841  C   SER B 556     -24.315 -24.274 -18.041  1.00 78.47           C  
-ATOM   2842  CB  SER B 556     -25.070 -24.257 -15.659  1.00 78.47           C  
-ATOM   2843  O   SER B 556     -23.327 -24.920 -18.397  1.00 78.47           O  
-ATOM   2844  OG  SER B 556     -23.685 -24.205 -15.363  1.00 78.47           O  
-ATOM   2845  N   GLU B 557     -24.655 -23.409 -18.920  1.00 86.49           N  
-ATOM   2846  CA  GLU B 557     -23.860 -22.575 -19.816  1.00 86.49           C  
-ATOM   2847  C   GLU B 557     -22.503 -22.245 -19.202  1.00 86.49           C  
-ATOM   2848  CB  GLU B 557     -24.610 -21.286 -20.159  1.00 86.49           C  
-ATOM   2849  O   GLU B 557     -21.484 -22.243 -19.897  1.00 86.49           O  
-ATOM   2850  CG  GLU B 557     -24.212 -20.680 -21.497  1.00 86.49           C  
-ATOM   2851  CD  GLU B 557     -25.059 -19.479 -21.887  1.00 86.49           C  
-ATOM   2852  OE1 GLU B 557     -24.799 -18.874 -22.952  1.00 86.49           O  
-ATOM   2853  OE2 GLU B 557     -25.989 -19.140 -21.122  1.00 86.49           O  
-ATOM   2854  N   LEU B 558     -22.367 -22.093 -17.897  1.00 85.92           N  
-ATOM   2855  CA  LEU B 558     -21.128 -21.771 -17.198  1.00 85.92           C  
-ATOM   2856  C   LEU B 558     -20.198 -22.979 -17.155  1.00 85.92           C  
-ATOM   2857  CB  LEU B 558     -21.425 -21.290 -15.775  1.00 85.92           C  
-ATOM   2858  O   LEU B 558     -18.984 -22.839 -17.315  1.00 85.92           O  
-ATOM   2859  CG  LEU B 558     -20.888 -19.908 -15.401  1.00 85.92           C  
-ATOM   2860  CD1 LEU B 558     -22.017 -19.023 -14.882  1.00 85.92           C  
-ATOM   2861  CD2 LEU B 558     -19.776 -20.028 -14.364  1.00 85.92           C  
-ATOM   2862  N   ASP B 559     -20.740 -24.102 -17.005  1.00 86.61           N  
-ATOM   2863  CA  ASP B 559     -19.942 -25.324 -16.956  1.00 86.61           C  
-ATOM   2864  C   ASP B 559     -19.334 -25.637 -18.321  1.00 86.61           C  
-ATOM   2865  CB  ASP B 559     -20.793 -26.502 -16.477  1.00 86.61           C  
-ATOM   2866  O   ASP B 559     -18.186 -26.079 -18.409  1.00 86.61           O  
-ATOM   2867  CG  ASP B 559     -21.050 -26.477 -14.980  1.00 86.61           C  
-ATOM   2868  OD1 ASP B 559     -20.267 -25.846 -14.237  1.00 86.61           O  
-ATOM   2869  OD2 ASP B 559     -22.042 -27.097 -14.540  1.00 86.61           O  
-ATOM   2870  N   GLN B 560     -20.075 -25.370 -19.349  1.00 88.79           N  
-ATOM   2871  CA  GLN B 560     -19.598 -25.560 -20.715  1.00 88.79           C  
-ATOM   2872  C   GLN B 560     -18.447 -24.611 -21.033  1.00 88.79           C  
-ATOM   2873  CB  GLN B 560     -20.738 -25.357 -21.715  1.00 88.79           C  
-ATOM   2874  O   GLN B 560     -17.457 -25.011 -21.648  1.00 88.79           O  
-ATOM   2875  CG  GLN B 560     -21.468 -26.641 -22.085  1.00 88.79           C  
-ATOM   2876  CD  GLN B 560     -22.652 -26.400 -23.001  1.00 88.79           C  
-ATOM   2877  NE2 GLN B 560     -23.410 -27.455 -23.281  1.00 88.79           N  
-ATOM   2878  OE1 GLN B 560     -22.885 -25.275 -23.454  1.00 88.79           O  
-ATOM   2879  N   LEU B 561     -18.571 -23.385 -20.608  1.00 90.98           N  
-ATOM   2880  CA  LEU B 561     -17.525 -22.397 -20.850  1.00 90.98           C  
-ATOM   2881  C   LEU B 561     -16.259 -22.745 -20.075  1.00 90.98           C  
-ATOM   2882  CB  LEU B 561     -18.008 -20.998 -20.459  1.00 90.98           C  
-ATOM   2883  O   LEU B 561     -15.148 -22.568 -20.581  1.00 90.98           O  
-ATOM   2884  CG  LEU B 561     -18.981 -20.321 -21.427  1.00 90.98           C  
-ATOM   2885  CD1 LEU B 561     -19.595 -19.084 -20.782  1.00 90.98           C  
-ATOM   2886  CD2 LEU B 561     -18.274 -19.958 -22.729  1.00 90.98           C  
-ATOM   2887  N   ARG B 562     -16.427 -23.268 -18.858  1.00 87.36           N  
-ATOM   2888  CA  ARG B 562     -15.292 -23.699 -18.048  1.00 87.36           C  
-ATOM   2889  C   ARG B 562     -14.546 -24.847 -18.718  1.00 87.36           C  
-ATOM   2890  CB  ARG B 562     -15.757 -24.120 -16.652  1.00 87.36           C  
-ATOM   2891  O   ARG B 562     -13.313 -24.870 -18.731  1.00 87.36           O  
-ATOM   2892  CG  ARG B 562     -15.941 -22.959 -15.688  1.00 87.36           C  
-ATOM   2893  CD  ARG B 562     -16.343 -23.436 -14.300  1.00 87.36           C  
-ATOM   2894  NE  ARG B 562     -16.560 -22.318 -13.387  1.00 87.36           N  
-ATOM   2895  NH1 ARG B 562     -17.309 -23.625 -11.635  1.00 87.36           N  
-ATOM   2896  NH2 ARG B 562     -17.175 -21.349 -11.397  1.00 87.36           N  
-ATOM   2897  CZ  ARG B 562     -17.014 -22.433 -12.142  1.00 87.36           C  
-ATOM   2898  N   GLN B 563     -15.299 -25.734 -19.241  1.00 88.87           N  
-ATOM   2899  CA  GLN B 563     -14.708 -26.874 -19.935  1.00 88.87           C  
-ATOM   2900  C   GLN B 563     -13.971 -26.429 -21.195  1.00 88.87           C  
-ATOM   2901  CB  GLN B 563     -15.783 -27.902 -20.291  1.00 88.87           C  
-ATOM   2902  O   GLN B 563     -12.876 -26.916 -21.484  1.00 88.87           O  
-ATOM   2903  CG  GLN B 563     -15.910 -29.034 -19.280  1.00 88.87           C  
-ATOM   2904  CD  GLN B 563     -16.995 -30.029 -19.647  1.00 88.87           C  
-ATOM   2905  NE2 GLN B 563     -17.264 -30.971 -18.750  1.00 88.87           N  
-ATOM   2906  OE1 GLN B 563     -17.586 -29.952 -20.729  1.00 88.87           O  
-ATOM   2907  N   GLU B 564     -14.615 -25.567 -21.907  1.00 91.56           N  
-ATOM   2908  CA  GLU B 564     -13.982 -25.026 -23.107  1.00 91.56           C  
-ATOM   2909  C   GLU B 564     -12.684 -24.299 -22.766  1.00 91.56           C  
-ATOM   2910  CB  GLU B 564     -14.938 -24.080 -23.839  1.00 91.56           C  
-ATOM   2911  O   GLU B 564     -11.685 -24.437 -23.475  1.00 91.56           O  
-ATOM   2912  CG  GLU B 564     -15.962 -24.794 -24.709  1.00 91.56           C  
-ATOM   2913  CD  GLU B 564     -16.915 -23.843 -25.416  1.00 91.56           C  
-ATOM   2914  OE1 GLU B 564     -17.845 -24.318 -26.107  1.00 91.56           O  
-ATOM   2915  OE2 GLU B 564     -16.730 -22.613 -25.278  1.00 91.56           O  
-ATOM   2916  N   ALA B 565     -12.716 -23.499 -21.733  1.00 85.18           N  
-ATOM   2917  CA  ALA B 565     -11.534 -22.766 -21.284  1.00 85.18           C  
-ATOM   2918  C   ALA B 565     -10.408 -23.723 -20.901  1.00 85.18           C  
-ATOM   2919  CB  ALA B 565     -11.884 -21.862 -20.105  1.00 85.18           C  
-ATOM   2920  O   ALA B 565      -9.248 -23.498 -21.252  1.00 85.18           O  
-ATOM   2921  N   GLU B 566     -10.746 -24.786 -20.231  1.00 87.20           N  
-ATOM   2922  CA  GLU B 566      -9.770 -25.792 -19.823  1.00 87.20           C  
-ATOM   2923  C   GLU B 566      -9.159 -26.491 -21.034  1.00 87.20           C  
-ATOM   2924  CB  GLU B 566     -10.416 -26.822 -18.893  1.00 87.20           C  
-ATOM   2925  O   GLU B 566      -7.955 -26.755 -21.063  1.00 87.20           O  
-ATOM   2926  CG  GLU B 566      -9.416 -27.731 -18.193  1.00 87.20           C  
-ATOM   2927  CD  GLU B 566      -8.468 -26.982 -17.270  1.00 87.20           C  
-ATOM   2928  OE1 GLU B 566      -7.399 -27.533 -16.922  1.00 87.20           O  
-ATOM   2929  OE2 GLU B 566      -8.796 -25.835 -16.893  1.00 87.20           O  
-ATOM   2930  N   GLN B 567      -9.987 -26.789 -21.993  1.00 91.51           N  
-ATOM   2931  CA  GLN B 567      -9.514 -27.407 -23.227  1.00 91.51           C  
-ATOM   2932  C   GLN B 567      -8.540 -26.492 -23.963  1.00 91.51           C  
-ATOM   2933  CB  GLN B 567     -10.692 -27.761 -24.136  1.00 91.51           C  
-ATOM   2934  O   GLN B 567      -7.510 -26.947 -24.465  1.00 91.51           O  
-ATOM   2935  CG  GLN B 567     -11.093 -29.229 -24.081  1.00 91.51           C  
-ATOM   2936  CD  GLN B 567     -12.288 -29.545 -24.961  1.00 91.51           C  
-ATOM   2937  NE2 GLN B 567     -12.681 -30.813 -24.993  1.00 91.51           N  
-ATOM   2938  OE1 GLN B 567     -12.852 -28.656 -25.606  1.00 91.51           O  
-ATOM   2939  N   LEU B 568      -8.838 -25.246 -24.036  1.00 89.54           N  
-ATOM   2940  CA  LEU B 568      -7.969 -24.274 -24.691  1.00 89.54           C  
-ATOM   2941  C   LEU B 568      -6.637 -24.156 -23.958  1.00 89.54           C  
-ATOM   2942  CB  LEU B 568      -8.651 -22.906 -24.759  1.00 89.54           C  
-ATOM   2943  O   LEU B 568      -5.582 -24.059 -24.589  1.00 89.54           O  
-ATOM   2944  CG  LEU B 568      -9.740 -22.743 -25.820  1.00 89.54           C  
-ATOM   2945  CD1 LEU B 568     -10.528 -21.459 -25.580  1.00 89.54           C  
-ATOM   2946  CD2 LEU B 568      -9.130 -22.748 -27.218  1.00 89.54           C  
-ATOM   2947  N   LYS B 569      -6.716 -24.195 -22.637  1.00 84.28           N  
-ATOM   2948  CA  LYS B 569      -5.504 -24.146 -21.824  1.00 84.28           C  
-ATOM   2949  C   LYS B 569      -4.590 -25.329 -22.129  1.00 84.28           C  
-ATOM   2950  CB  LYS B 569      -5.857 -24.125 -20.336  1.00 84.28           C  
-ATOM   2951  O   LYS B 569      -3.374 -25.165 -22.252  1.00 84.28           O  
-ATOM   2952  CG  LYS B 569      -6.208 -22.744 -19.802  1.00 84.28           C  
-ATOM   2953  CD  LYS B 569      -6.474 -22.776 -18.302  1.00 84.28           C  
-ATOM   2954  CE  LYS B 569      -6.912 -21.413 -17.782  1.00 84.28           C  
-ATOM   2955  NZ  LYS B 569      -7.228 -21.453 -16.323  1.00 84.28           N  
-ATOM   2956  N   ASN B 570      -5.169 -26.503 -22.252  1.00 88.22           N  
-ATOM   2957  CA  ASN B 570      -4.415 -27.713 -22.562  1.00 88.22           C  
-ATOM   2958  C   ASN B 570      -3.801 -27.650 -23.957  1.00 88.22           C  
-ATOM   2959  CB  ASN B 570      -5.307 -28.949 -22.430  1.00 88.22           C  
-ATOM   2960  O   ASN B 570      -2.673 -28.101 -24.164  1.00 88.22           O  
-ATOM   2961  CG  ASN B 570      -5.623 -29.290 -20.986  1.00 88.22           C  
-ATOM   2962  ND2 ASN B 570      -6.689 -30.053 -20.777  1.00 88.22           N  
-ATOM   2963  OD1 ASN B 570      -4.915 -28.870 -20.067  1.00 88.22           O  
-ATOM   2964  N   GLN B 571      -4.535 -27.087 -24.870  1.00 89.69           N  
-ATOM   2965  CA  GLN B 571      -4.038 -26.937 -26.234  1.00 89.69           C  
-ATOM   2966  C   GLN B 571      -2.821 -26.017 -26.279  1.00 89.69           C  
-ATOM   2967  CB  GLN B 571      -5.138 -26.397 -27.150  1.00 89.69           C  
-ATOM   2968  O   GLN B 571      -1.855 -26.292 -26.994  1.00 89.69           O  
-ATOM   2969  CG  GLN B 571      -6.194 -27.430 -27.518  1.00 89.69           C  
-ATOM   2970  CD  GLN B 571      -7.290 -26.861 -28.399  1.00 89.69           C  
-ATOM   2971  NE2 GLN B 571      -8.196 -27.723 -28.850  1.00 89.69           N  
-ATOM   2972  OE1 GLN B 571      -7.323 -25.657 -28.672  1.00 89.69           O  
-ATOM   2973  N   ILE B 572      -2.864 -24.945 -25.570  1.00 83.04           N  
-ATOM   2974  CA  ILE B 572      -1.761 -23.993 -25.501  1.00 83.04           C  
-ATOM   2975  C   ILE B 572      -0.542 -24.662 -24.870  1.00 83.04           C  
-ATOM   2976  CB  ILE B 572      -2.153 -22.730 -24.702  1.00 83.04           C  
-ATOM   2977  O   ILE B 572       0.579 -24.517 -25.365  1.00 83.04           O  
-ATOM   2978  CG1 ILE B 572      -3.198 -21.914 -25.472  1.00 83.04           C  
-ATOM   2979  CG2 ILE B 572      -0.917 -21.883 -24.391  1.00 83.04           C  
-ATOM   2980  CD1 ILE B 572      -3.776 -20.747 -24.684  1.00 83.04           C  
-ATOM   2981  N   ARG B 573      -0.793 -25.423 -23.806  1.00 83.26           N  
-ATOM   2982  CA  ARG B 573       0.286 -26.145 -23.141  1.00 83.26           C  
-ATOM   2983  C   ARG B 573       0.966 -27.118 -24.098  1.00 83.26           C  
-ATOM   2984  CB  ARG B 573      -0.244 -26.897 -21.918  1.00 83.26           C  
-ATOM   2985  O   ARG B 573       2.195 -27.198 -24.142  1.00 83.26           O  
-ATOM   2986  CG  ARG B 573       0.845 -27.526 -21.062  1.00 83.26           C  
-ATOM   2987  CD  ARG B 573       0.268 -28.214 -19.833  1.00 83.26           C  
-ATOM   2988  NE  ARG B 573      -0.504 -29.400 -20.191  1.00 83.26           N  
-ATOM   2989  NH1 ARG B 573      -1.261 -29.809 -18.047  1.00 83.26           N  
-ATOM   2990  NH2 ARG B 573      -1.879 -31.190 -19.768  1.00 83.26           N  
-ATOM   2991  CZ  ARG B 573      -1.213 -30.130 -19.334  1.00 83.26           C  
-ATOM   2992  N   ASP B 574       0.185 -27.865 -24.828  1.00 86.59           N  
-ATOM   2993  CA  ASP B 574       0.704 -28.836 -25.786  1.00 86.59           C  
-ATOM   2994  C   ASP B 574       1.487 -28.144 -26.900  1.00 86.59           C  
-ATOM   2995  CB  ASP B 574      -0.436 -29.666 -26.381  1.00 86.59           C  
-ATOM   2996  O   ASP B 574       2.532 -28.636 -27.329  1.00 86.59           O  
-ATOM   2997  CG  ASP B 574      -1.045 -30.637 -25.385  1.00 86.59           C  
-ATOM   2998  OD1 ASP B 574      -0.416 -30.916 -24.342  1.00 86.59           O  
-ATOM   2999  OD2 ASP B 574      -2.164 -31.130 -25.648  1.00 86.59           O  
-ATOM   3000  N   ALA B 575       0.968 -27.006 -27.360  1.00 85.10           N  
-ATOM   3001  CA  ALA B 575       1.650 -26.230 -28.393  1.00 85.10           C  
-ATOM   3002  C   ALA B 575       3.002 -25.725 -27.896  1.00 85.10           C  
-ATOM   3003  CB  ALA B 575       0.779 -25.059 -28.841  1.00 85.10           C  
-ATOM   3004  O   ALA B 575       3.988 -25.741 -28.636  1.00 85.10           O  
-ATOM   3005  N   ARG B 576       3.058 -25.305 -26.628  1.00 83.50           N  
-ATOM   3006  CA  ARG B 576       4.306 -24.834 -26.035  1.00 83.50           C  
-ATOM   3007  C   ARG B 576       5.325 -25.964 -25.934  1.00 83.50           C  
-ATOM   3008  CB  ARG B 576       4.050 -24.234 -24.650  1.00 83.50           C  
-ATOM   3009  O   ARG B 576       6.505 -25.772 -26.234  1.00 83.50           O  
-ATOM   3010  CG  ARG B 576       3.429 -22.847 -24.685  1.00 83.50           C  
-ATOM   3011  CD  ARG B 576       3.160 -22.314 -23.285  1.00 83.50           C  
-ATOM   3012  NE  ARG B 576       2.658 -20.943 -23.317  1.00 83.50           N  
-ATOM   3013  NH1 ARG B 576       2.074 -20.885 -21.083  1.00 83.50           N  
-ATOM   3014  NH2 ARG B 576       1.726 -19.050 -22.412  1.00 83.50           N  
-ATOM   3015  CZ  ARG B 576       2.154 -20.296 -22.271  1.00 83.50           C  
-ATOM   3016  N   LYS B 577       4.856 -27.129 -25.555  1.00 82.90           N  
-ATOM   3017  CA  LYS B 577       5.721 -28.297 -25.412  1.00 82.90           C  
-ATOM   3018  C   LYS B 577       6.279 -28.736 -26.762  1.00 82.90           C  
-ATOM   3019  CB  LYS B 577       4.960 -29.451 -24.758  1.00 82.90           C  
-ATOM   3020  O   LYS B 577       7.438 -29.145 -26.858  1.00 82.90           O  
-ATOM   3021  CG  LYS B 577       4.868 -29.352 -23.243  1.00 82.90           C  
-ATOM   3022  CD  LYS B 577       4.193 -30.579 -22.642  1.00 82.90           C  
-ATOM   3023  CE  LYS B 577       3.979 -30.423 -21.143  1.00 82.90           C  
-ATOM   3024  NZ  LYS B 577       3.287 -31.609 -20.556  1.00 82.90           N  
-ATOM   3025  N   ALA B 578       5.434 -28.615 -27.762  1.00 83.13           N  
-ATOM   3026  CA  ALA B 578       5.821 -29.052 -29.101  1.00 83.13           C  
-ATOM   3027  C   ALA B 578       6.939 -28.179 -29.662  1.00 83.13           C  
-ATOM   3028  CB  ALA B 578       4.614 -29.032 -30.036  1.00 83.13           C  
-ATOM   3029  O   ALA B 578       7.774 -28.651 -30.437  1.00 83.13           O  
-ATOM   3030  N   CYS B 579       7.046 -26.937 -29.266  1.00 81.22           N  
-ATOM   3031  CA  CYS B 579       8.034 -25.999 -29.788  1.00 81.22           C  
-ATOM   3032  C   CYS B 579       9.283 -25.980 -28.914  1.00 81.22           C  
-ATOM   3033  CB  CYS B 579       7.443 -24.593 -29.878  1.00 81.22           C  
-ATOM   3034  O   CYS B 579      10.291 -25.373 -29.278  1.00 81.22           O  
-ATOM   3035  SG  CYS B 579       6.063 -24.456 -31.036  1.00 81.22           S  
-ATOM   3036  N   ALA B 580       9.256 -26.691 -27.670  1.00 81.23           N  
-ATOM   3037  CA  ALA B 580      10.391 -26.740 -26.752  1.00 81.23           C  
-ATOM   3038  C   ALA B 580      11.424 -27.765 -27.211  1.00 81.23           C  
-ATOM   3039  CB  ALA B 580       9.917 -27.065 -25.337  1.00 81.23           C  
-ATOM   3040  O   ALA B 580      11.530 -28.850 -26.635  1.00 81.23           O  
-ATOM   3041  N   ASP B 581      12.156 -27.536 -28.327  1.00 84.19           N  
-ATOM   3042  CA  ASP B 581      13.018 -28.519 -28.976  1.00 84.19           C  
-ATOM   3043  C   ASP B 581      14.397 -28.557 -28.320  1.00 84.19           C  
-ATOM   3044  CB  ASP B 581      13.154 -28.213 -30.469  1.00 84.19           C  
-ATOM   3045  O   ASP B 581      15.199 -29.450 -28.601  1.00 84.19           O  
-ATOM   3046  CG  ASP B 581      13.653 -26.805 -30.742  1.00 84.19           C  
-ATOM   3047  OD1 ASP B 581      13.718 -25.987 -29.800  1.00 84.19           O  
-ATOM   3048  OD2 ASP B 581      13.981 -26.510 -31.912  1.00 84.19           O  
-ATOM   3049  N   ALA B 582      14.747 -27.650 -27.462  1.00 87.19           N  
-ATOM   3050  CA  ALA B 582      16.024 -27.616 -26.754  1.00 87.19           C  
-ATOM   3051  C   ALA B 582      15.932 -26.757 -25.497  1.00 87.19           C  
-ATOM   3052  CB  ALA B 582      17.127 -27.095 -27.672  1.00 87.19           C  
-ATOM   3053  O   ALA B 582      15.102 -25.848 -25.418  1.00 87.19           O  
-ATOM   3054  N   THR B 583      16.698 -27.120 -24.457  1.00 88.75           N  
-ATOM   3055  CA  THR B 583      16.801 -26.294 -23.259  1.00 88.75           C  
-ATOM   3056  C   THR B 583      18.002 -25.358 -23.348  1.00 88.75           C  
-ATOM   3057  CB  THR B 583      16.916 -27.161 -21.991  1.00 88.75           C  
-ATOM   3058  O   THR B 583      18.917 -25.588 -24.142  1.00 88.75           O  
-ATOM   3059  CG2 THR B 583      15.785 -28.183 -21.919  1.00 88.75           C  
-ATOM   3060  OG1 THR B 583      18.170 -27.854 -22.005  1.00 88.75           O  
-ATOM   3061  N   LEU B 584      17.900 -24.211 -22.708  1.00 90.65           N  
-ATOM   3062  CA  LEU B 584      19.018 -23.274 -22.674  1.00 90.65           C  
-ATOM   3063  C   LEU B 584      20.298 -23.972 -22.225  1.00 90.65           C  
-ATOM   3064  CB  LEU B 584      18.707 -22.102 -21.739  1.00 90.65           C  
-ATOM   3065  O   LEU B 584      21.379 -23.691 -22.748  1.00 90.65           O  
-ATOM   3066  CG  LEU B 584      19.735 -20.970 -21.707  1.00 90.65           C  
-ATOM   3067  CD1 LEU B 584      19.898 -20.363 -23.096  1.00 90.65           C  
-ATOM   3068  CD2 LEU B 584      19.324 -19.904 -20.696  1.00 90.65           C  
-ATOM   3069  N   SER B 585      20.239 -24.927 -21.322  1.00 88.89           N  
-ATOM   3070  CA  SER B 585      21.388 -25.687 -20.840  1.00 88.89           C  
-ATOM   3071  C   SER B 585      22.015 -26.511 -21.960  1.00 88.89           C  
-ATOM   3072  CB  SER B 585      20.978 -26.606 -19.688  1.00 88.89           C  
-ATOM   3073  O   SER B 585      23.241 -26.594 -22.064  1.00 88.89           O  
-ATOM   3074  OG  SER B 585      22.097 -27.322 -19.194  1.00 88.89           O  
-ATOM   3075  N   GLN B 586      21.175 -27.096 -22.811  1.00 91.09           N  
-ATOM   3076  CA  GLN B 586      21.640 -27.890 -23.944  1.00 91.09           C  
-ATOM   3077  C   GLN B 586      22.346 -27.016 -24.975  1.00 91.09           C  
-ATOM   3078  CB  GLN B 586      20.472 -28.632 -24.595  1.00 91.09           C  
-ATOM   3079  O   GLN B 586      23.399 -27.389 -25.497  1.00 91.09           O  
-ATOM   3080  CG  GLN B 586      19.938 -29.790 -23.764  1.00 91.09           C  
-ATOM   3081  CD  GLN B 586      18.663 -30.383 -24.333  1.00 91.09           C  
-ATOM   3082  NE2 GLN B 586      18.351 -31.612 -23.935  1.00 91.09           N  
-ATOM   3083  OE1 GLN B 586      17.964 -29.742 -25.124  1.00 91.09           O  
-ATOM   3084  N   ILE B 587      21.820 -25.845 -25.177  1.00 90.80           N  
-ATOM   3085  CA  ILE B 587      22.312 -24.948 -26.217  1.00 90.80           C  
-ATOM   3086  C   ILE B 587      23.630 -24.318 -25.772  1.00 90.80           C  
-ATOM   3087  CB  ILE B 587      21.279 -23.849 -26.552  1.00 90.80           C  
-ATOM   3088  O   ILE B 587      24.510 -24.056 -26.596  1.00 90.80           O  
-ATOM   3089  CG1 ILE B 587      20.016 -24.471 -27.158  1.00 90.80           C  
-ATOM   3090  CG2 ILE B 587      21.885 -22.808 -27.497  1.00 90.80           C  
-ATOM   3091  CD1 ILE B 587      18.879 -23.481 -27.370  1.00 90.80           C  
-ATOM   3092  N   THR B 588      23.761 -24.157 -24.483  1.00 93.73           N  
-ATOM   3093  CA  THR B 588      24.926 -23.435 -23.983  1.00 93.73           C  
-ATOM   3094  C   THR B 588      25.953 -24.402 -23.401  1.00 93.73           C  
-ATOM   3095  CB  THR B 588      24.527 -22.402 -22.913  1.00 93.73           C  
-ATOM   3096  O   THR B 588      26.839 -23.996 -22.647  1.00 93.73           O  
-ATOM   3097  CG2 THR B 588      23.589 -21.346 -23.490  1.00 93.73           C  
-ATOM   3098  OG1 THR B 588      23.865 -23.073 -21.833  1.00 93.73           O  
-ATOM   3099  N   ASN B 589      25.862 -25.686 -23.768  1.00 92.51           N  
-ATOM   3100  CA  ASN B 589      26.723 -26.727 -23.219  1.00 92.51           C  
-ATOM   3101  C   ASN B 589      28.197 -26.431 -23.479  1.00 92.51           C  
-ATOM   3102  CB  ASN B 589      26.347 -28.094 -23.794  1.00 92.51           C  
-ATOM   3103  O   ASN B 589      29.058 -26.781 -22.670  1.00 92.51           O  
-ATOM   3104  CG  ASN B 589      26.934 -29.244 -22.999  1.00 92.51           C  
-ATOM   3105  ND2 ASN B 589      27.149 -30.374 -23.662  1.00 92.51           N  
-ATOM   3106  OD1 ASN B 589      27.191 -29.118 -21.799  1.00 92.51           O  
-ATOM   3107  N   ASN B 590      28.465 -25.725 -24.575  1.00 94.29           N  
-ATOM   3108  CA  ASN B 590      29.849 -25.487 -24.971  1.00 94.29           C  
-ATOM   3109  C   ASN B 590      30.373 -24.167 -24.414  1.00 94.29           C  
-ATOM   3110  CB  ASN B 590      29.982 -25.510 -26.495  1.00 94.29           C  
-ATOM   3111  O   ASN B 590      31.543 -23.829 -24.602  1.00 94.29           O  
-ATOM   3112  CG  ASN B 590      29.664 -26.868 -27.089  1.00 94.29           C  
-ATOM   3113  ND2 ASN B 590      29.242 -26.881 -28.348  1.00 94.29           N  
-ATOM   3114  OD1 ASN B 590      29.794 -27.897 -26.422  1.00 94.29           O  
-ATOM   3115  N   ILE B 591      29.550 -23.513 -23.636  1.00 94.26           N  
-ATOM   3116  CA  ILE B 591      29.945 -22.224 -23.077  1.00 94.26           C  
-ATOM   3117  C   ILE B 591      30.491 -22.420 -21.664  1.00 94.26           C  
-ATOM   3118  CB  ILE B 591      28.763 -21.229 -23.061  1.00 94.26           C  
-ATOM   3119  O   ILE B 591      29.890 -23.127 -20.852  1.00 94.26           O  
-ATOM   3120  CG1 ILE B 591      28.281 -20.950 -24.489  1.00 94.26           C  
-ATOM   3121  CG2 ILE B 591      29.160 -19.930 -22.353  1.00 94.26           C  
-ATOM   3122  CD1 ILE B 591      27.059 -20.045 -24.564  1.00 94.26           C  
-ATOM   3123  N   ASP B 592      31.647 -21.831 -21.429  1.00 93.92           N  
-ATOM   3124  CA  ASP B 592      32.280 -21.949 -20.119  1.00 93.92           C  
-ATOM   3125  C   ASP B 592      31.510 -21.159 -19.064  1.00 93.92           C  
-ATOM   3126  CB  ASP B 592      33.732 -21.471 -20.179  1.00 93.92           C  
-ATOM   3127  O   ASP B 592      30.983 -20.081 -19.349  1.00 93.92           O  
-ATOM   3128  CG  ASP B 592      34.618 -22.370 -21.024  1.00 93.92           C  
-ATOM   3129  OD1 ASP B 592      34.354 -23.589 -21.101  1.00 93.92           O  
-ATOM   3130  OD2 ASP B 592      35.592 -21.855 -21.615  1.00 93.92           O  
-ATOM   3131  N   PRO B 593      31.451 -21.787 -17.844  1.00 92.78           N  
-ATOM   3132  CA  PRO B 593      30.834 -21.031 -16.752  1.00 92.78           C  
-ATOM   3133  C   PRO B 593      31.615 -19.769 -16.393  1.00 92.78           C  
-ATOM   3134  CB  PRO B 593      30.840 -22.026 -15.588  1.00 92.78           C  
-ATOM   3135  O   PRO B 593      32.832 -19.714 -16.590  1.00 92.78           O  
-ATOM   3136  CG  PRO B 593      31.115 -23.352 -16.220  1.00 92.78           C  
-ATOM   3137  CD  PRO B 593      31.833 -23.122 -17.519  1.00 92.78           C  
-ATOM   3138  N   VAL B 594      30.961 -18.716 -15.994  1.00 93.25           N  
-ATOM   3139  CA  VAL B 594      31.544 -17.418 -15.671  1.00 93.25           C  
-ATOM   3140  C   VAL B 594      32.572 -17.576 -14.553  1.00 93.25           C  
-ATOM   3141  CB  VAL B 594      30.460 -16.396 -15.257  1.00 93.25           C  
-ATOM   3142  O   VAL B 594      33.617 -16.922 -14.565  1.00 93.25           O  
-ATOM   3143  CG1 VAL B 594      31.101 -15.125 -14.703  1.00 93.25           C  
-ATOM   3144  CG2 VAL B 594      29.556 -16.069 -16.444  1.00 93.25           C  
-ATOM   3145  N   GLY B 595      32.475 -18.572 -13.703  1.00 92.00           N  
-ATOM   3146  CA  GLY B 595      33.328 -18.742 -12.537  1.00 92.00           C  
-ATOM   3147  C   GLY B 595      32.938 -17.846 -11.377  1.00 92.00           C  
-ATOM   3148  O   GLY B 595      31.891 -17.195 -11.413  1.00 92.00           O  
-ATOM   3149  N   ARG B 596      33.777 -17.874 -10.282  1.00 94.10           N  
-ATOM   3150  CA  ARG B 596      33.513 -17.126  -9.057  1.00 94.10           C  
-ATOM   3151  C   ARG B 596      33.726 -15.632  -9.272  1.00 94.10           C  
-ATOM   3152  CB  ARG B 596      34.407 -17.625  -7.919  1.00 94.10           C  
-ATOM   3153  O   ARG B 596      34.763 -15.215  -9.791  1.00 94.10           O  
-ATOM   3154  CG  ARG B 596      34.064 -17.032  -6.562  1.00 94.10           C  
-ATOM   3155  CD  ARG B 596      34.930 -17.618  -5.455  1.00 94.10           C  
-ATOM   3156  NE  ARG B 596      34.604 -17.042  -4.154  1.00 94.10           N  
-ATOM   3157  NH1 ARG B 596      36.112 -18.334  -2.974  1.00 94.10           N  
-ATOM   3158  NH2 ARG B 596      34.801 -16.806  -1.878  1.00 94.10           N  
-ATOM   3159  CZ  ARG B 596      35.173 -17.395  -3.005  1.00 94.10           C  
-ATOM   3160  N   ILE B 597      32.681 -14.867  -8.992  1.00 93.18           N  
-ATOM   3161  CA  ILE B 597      32.706 -13.411  -9.082  1.00 93.18           C  
-ATOM   3162  C   ILE B 597      32.715 -12.808  -7.679  1.00 93.18           C  
-ATOM   3163  CB  ILE B 597      31.503 -12.874  -9.889  1.00 93.18           C  
-ATOM   3164  O   ILE B 597      31.872 -13.148  -6.845  1.00 93.18           O  
-ATOM   3165  CG1 ILE B 597      31.603 -13.316 -11.354  1.00 93.18           C  
-ATOM   3166  CG2 ILE B 597      31.419 -11.348  -9.782  1.00 93.18           C  
-ATOM   3167  CD1 ILE B 597      30.524 -12.727 -12.253  1.00 93.18           C  
-ATOM   3168  N   GLN B 598      33.726 -11.985  -7.503  1.00 91.49           N  
-ATOM   3169  CA  GLN B 598      33.787 -11.250  -6.244  1.00 91.49           C  
-ATOM   3170  C   GLN B 598      33.705  -9.745  -6.480  1.00 91.49           C  
-ATOM   3171  CB  GLN B 598      35.069 -11.593  -5.483  1.00 91.49           C  
-ATOM   3172  O   GLN B 598      34.613  -9.153  -7.066  1.00 91.49           O  
-ATOM   3173  CG  GLN B 598      35.050 -11.165  -4.022  1.00 91.49           C  
-ATOM   3174  CD  GLN B 598      36.233 -11.701  -3.238  1.00 91.49           C  
-ATOM   3175  NE2 GLN B 598      36.166 -11.594  -1.915  1.00 91.49           N  
-ATOM   3176  OE1 GLN B 598      37.199 -12.209  -3.816  1.00 91.49           O  
-ATOM   3177  N   MET B 599      32.590  -9.194  -6.074  1.00 94.04           N  
-ATOM   3178  CA  MET B 599      32.428  -7.745  -6.139  1.00 94.04           C  
-ATOM   3179  C   MET B 599      32.654  -7.110  -4.772  1.00 94.04           C  
-ATOM   3180  CB  MET B 599      31.036  -7.382  -6.661  1.00 94.04           C  
-ATOM   3181  O   MET B 599      32.290  -7.688  -3.746  1.00 94.04           O  
-ATOM   3182  CG  MET B 599      30.779  -7.836  -8.089  1.00 94.04           C  
-ATOM   3183  SD  MET B 599      29.133  -7.311  -8.707  1.00 94.04           S  
-ATOM   3184  CE  MET B 599      29.223  -7.920 -10.414  1.00 94.04           C  
-ATOM   3185  N   ARG B 600      33.343  -6.039  -4.754  1.00 93.95           N  
-ATOM   3186  CA  ARG B 600      33.562  -5.367  -3.476  1.00 93.95           C  
-ATOM   3187  C   ARG B 600      32.787  -4.055  -3.408  1.00 93.95           C  
-ATOM   3188  CB  ARG B 600      35.053  -5.108  -3.253  1.00 93.95           C  
-ATOM   3189  O   ARG B 600      32.488  -3.451  -4.440  1.00 93.95           O  
-ATOM   3190  CG  ARG B 600      35.897  -6.371  -3.201  1.00 93.95           C  
-ATOM   3191  CD  ARG B 600      37.373  -6.055  -2.998  1.00 93.95           C  
-ATOM   3192  NE  ARG B 600      38.177  -7.271  -2.913  1.00 93.95           N  
-ATOM   3193  NH1 ARG B 600      40.161  -6.175  -2.466  1.00 93.95           N  
-ATOM   3194  NH2 ARG B 600      40.117  -8.462  -2.608  1.00 93.95           N  
-ATOM   3195  CZ  ARG B 600      39.483  -7.300  -2.662  1.00 93.95           C  
-ATOM   3196  N   THR B 601      32.480  -3.685  -2.153  1.00 94.60           N  
-ATOM   3197  CA  THR B 601      31.828  -2.402  -1.920  1.00 94.60           C  
-ATOM   3198  C   THR B 601      32.814  -1.252  -2.104  1.00 94.60           C  
-ATOM   3199  CB  THR B 601      31.214  -2.335  -0.510  1.00 94.60           C  
-ATOM   3200  O   THR B 601      33.806  -1.157  -1.378  1.00 94.60           O  
-ATOM   3201  CG2 THR B 601      30.432  -1.040  -0.311  1.00 94.60           C  
-ATOM   3202  OG1 THR B 601      30.329  -3.447  -0.326  1.00 94.60           O  
-ATOM   3203  N   ARG B 602      32.498  -0.398  -3.039  1.00 94.46           N  
-ATOM   3204  CA  ARG B 602      33.392   0.721  -3.314  1.00 94.46           C  
-ATOM   3205  C   ARG B 602      32.978   1.959  -2.526  1.00 94.46           C  
-ATOM   3206  CB  ARG B 602      33.415   1.037  -4.811  1.00 94.46           C  
-ATOM   3207  O   ARG B 602      33.830   2.694  -2.021  1.00 94.46           O  
-ATOM   3208  CG  ARG B 602      34.119  -0.016  -5.652  1.00 94.46           C  
-ATOM   3209  CD  ARG B 602      35.611  -0.070  -5.356  1.00 94.46           C  
-ATOM   3210  NE  ARG B 602      36.297  -1.031  -6.214  1.00 94.46           N  
-ATOM   3211  NH1 ARG B 602      38.341  -0.830  -5.157  1.00 94.46           N  
-ATOM   3212  NH2 ARG B 602      38.101  -2.255  -6.936  1.00 94.46           N  
-ATOM   3213  CZ  ARG B 602      37.578  -1.370  -6.100  1.00 94.46           C  
-ATOM   3214  N   ARG B 603      31.654   2.093  -2.478  1.00 95.91           N  
-ATOM   3215  CA  ARG B 603      31.118   3.250  -1.769  1.00 95.91           C  
-ATOM   3216  C   ARG B 603      29.864   2.879  -0.984  1.00 95.91           C  
-ATOM   3217  CB  ARG B 603      30.806   4.384  -2.748  1.00 95.91           C  
-ATOM   3218  O   ARG B 603      29.106   1.998  -1.396  1.00 95.91           O  
-ATOM   3219  CG  ARG B 603      31.990   4.799  -3.607  1.00 95.91           C  
-ATOM   3220  CD  ARG B 603      32.156   6.312  -3.645  1.00 95.91           C  
-ATOM   3221  NE  ARG B 603      33.124   6.723  -4.658  1.00 95.91           N  
-ATOM   3222  NH1 ARG B 603      33.999   8.461  -3.414  1.00 95.91           N  
-ATOM   3223  NH2 ARG B 603      34.815   8.022  -5.510  1.00 95.91           N  
-ATOM   3224  CZ  ARG B 603      33.977   7.734  -4.525  1.00 95.91           C  
-ATOM   3225  N   THR B 604      29.761   3.571   0.089  1.00 97.09           N  
-ATOM   3226  CA  THR B 604      28.527   3.502   0.864  1.00 97.09           C  
-ATOM   3227  C   THR B 604      27.853   4.869   0.932  1.00 97.09           C  
-ATOM   3228  CB  THR B 604      28.792   2.986   2.291  1.00 97.09           C  
-ATOM   3229  O   THR B 604      28.468   5.850   1.355  1.00 97.09           O  
-ATOM   3230  CG2 THR B 604      27.493   2.856   3.079  1.00 97.09           C  
-ATOM   3231  OG1 THR B 604      29.425   1.703   2.219  1.00 97.09           O  
-ATOM   3232  N   LEU B 605      26.617   4.896   0.384  1.00 97.88           N  
-ATOM   3233  CA  LEU B 605      25.866   6.146   0.410  1.00 97.88           C  
-ATOM   3234  C   LEU B 605      25.070   6.275   1.705  1.00 97.88           C  
-ATOM   3235  CB  LEU B 605      24.923   6.230  -0.793  1.00 97.88           C  
-ATOM   3236  O   LEU B 605      24.140   5.502   1.947  1.00 97.88           O  
-ATOM   3237  CG  LEU B 605      25.541   5.937  -2.161  1.00 97.88           C  
-ATOM   3238  CD1 LEU B 605      24.508   6.143  -3.264  1.00 97.88           C  
-ATOM   3239  CD2 LEU B 605      26.764   6.817  -2.395  1.00 97.88           C  
-ATOM   3240  N   ARG B 606      25.444   7.315   2.544  1.00 95.28           N  
-ATOM   3241  CA  ARG B 606      24.823   7.553   3.842  1.00 95.28           C  
-ATOM   3242  C   ARG B 606      24.007   8.842   3.831  1.00 95.28           C  
-ATOM   3243  CB  ARG B 606      25.883   7.614   4.944  1.00 95.28           C  
-ATOM   3244  O   ARG B 606      24.508   9.897   3.437  1.00 95.28           O  
-ATOM   3245  CG  ARG B 606      26.705   6.342   5.078  1.00 95.28           C  
-ATOM   3246  CD  ARG B 606      27.794   6.482   6.133  1.00 95.28           C  
-ATOM   3247  NE  ARG B 606      28.644   5.296   6.192  1.00 95.28           N  
-ATOM   3248  NH1 ARG B 606      27.493   4.305   7.933  1.00 95.28           N  
-ATOM   3249  NH2 ARG B 606      29.313   3.258   7.012  1.00 95.28           N  
-ATOM   3250  CZ  ARG B 606      28.481   4.289   7.046  1.00 95.28           C  
-ATOM   3251  N   GLY B 607      22.822   8.701   4.270  1.00 92.82           N  
-ATOM   3252  CA  GLY B 607      21.954   9.866   4.334  1.00 92.82           C  
-ATOM   3253  C   GLY B 607      20.543   9.534   4.782  1.00 92.82           C  
-ATOM   3254  O   GLY B 607      20.005  10.179   5.685  1.00 92.82           O  
-ATOM   3255  N   HIS B 608      20.036   8.514   4.344  1.00 95.35           N  
-ATOM   3256  CA  HIS B 608      18.706   8.103   4.781  1.00 95.35           C  
-ATOM   3257  C   HIS B 608      18.708   7.704   6.252  1.00 95.35           C  
-ATOM   3258  CB  HIS B 608      18.195   6.945   3.923  1.00 95.35           C  
-ATOM   3259  O   HIS B 608      19.708   7.190   6.759  1.00 95.35           O  
-ATOM   3260  CG  HIS B 608      17.599   7.379   2.621  1.00 95.35           C  
-ATOM   3261  CD2 HIS B 608      17.926   7.067   1.345  1.00 95.35           C  
-ATOM   3262  ND1 HIS B 608      16.530   8.246   2.545  1.00 95.35           N  
-ATOM   3263  CE1 HIS B 608      16.225   8.448   1.274  1.00 95.35           C  
-ATOM   3264  NE2 HIS B 608      17.057   7.744   0.526  1.00 95.35           N  
-ATOM   3265  N   LEU B 609      17.583   7.911   6.921  1.00 89.23           N  
-ATOM   3266  CA  LEU B 609      17.490   7.651   8.354  1.00 89.23           C  
-ATOM   3267  C   LEU B 609      16.569   6.468   8.633  1.00 89.23           C  
-ATOM   3268  CB  LEU B 609      16.983   8.893   9.092  1.00 89.23           C  
-ATOM   3269  O   LEU B 609      16.260   6.177   9.791  1.00 89.23           O  
-ATOM   3270  CG  LEU B 609      17.825  10.162   8.941  1.00 89.23           C  
-ATOM   3271  CD1 LEU B 609      17.155  11.330   9.657  1.00 89.23           C  
-ATOM   3272  CD2 LEU B 609      19.234   9.936   9.479  1.00 89.23           C  
-ATOM   3273  N   ALA B 610      16.041   5.924   7.606  1.00 89.30           N  
-ATOM   3274  CA  ALA B 610      15.149   4.775   7.738  1.00 89.30           C  
-ATOM   3275  C   ALA B 610      15.331   3.803   6.576  1.00 89.30           C  
-ATOM   3276  CB  ALA B 610      13.696   5.236   7.820  1.00 89.30           C  
-ATOM   3277  O   ALA B 610      16.304   3.900   5.824  1.00 89.30           O  
-ATOM   3278  N   LYS B 611      14.442   2.782   6.407  1.00 92.98           N  
-ATOM   3279  CA  LYS B 611      14.528   1.722   5.407  1.00 92.98           C  
-ATOM   3280  C   LYS B 611      14.422   2.288   3.995  1.00 92.98           C  
-ATOM   3281  CB  LYS B 611      13.434   0.678   5.637  1.00 92.98           C  
-ATOM   3282  O   LYS B 611      13.582   3.150   3.727  1.00 92.98           O  
-ATOM   3283  CG  LYS B 611      13.565  -0.077   6.951  1.00 92.98           C  
-ATOM   3284  CD  LYS B 611      12.376  -0.999   7.187  1.00 92.98           C  
-ATOM   3285  CE  LYS B 611      12.490  -1.732   8.517  1.00 92.98           C  
-ATOM   3286  NZ  LYS B 611      11.289  -2.577   8.789  1.00 92.98           N  
-ATOM   3287  N   ILE B 612      15.254   1.798   3.206  1.00 97.02           N  
-ATOM   3288  CA  ILE B 612      15.217   2.167   1.795  1.00 97.02           C  
-ATOM   3289  C   ILE B 612      14.389   1.146   1.017  1.00 97.02           C  
-ATOM   3290  CB  ILE B 612      16.639   2.270   1.199  1.00 97.02           C  
-ATOM   3291  O   ILE B 612      14.694  -0.049   1.030  1.00 97.02           O  
-ATOM   3292  CG1 ILE B 612      17.449   3.343   1.935  1.00 97.02           C  
-ATOM   3293  CG2 ILE B 612      16.575   2.564  -0.302  1.00 97.02           C  
-ATOM   3294  CD1 ILE B 612      18.934   3.337   1.598  1.00 97.02           C  
-ATOM   3295  N   TYR B 613      13.412   1.622   0.245  1.00 95.23           N  
-ATOM   3296  CA  TYR B 613      12.476   0.713  -0.407  1.00 95.23           C  
-ATOM   3297  C   TYR B 613      12.762   0.615  -1.900  1.00 95.23           C  
-ATOM   3298  CB  TYR B 613      11.033   1.174  -0.180  1.00 95.23           C  
-ATOM   3299  O   TYR B 613      12.483  -0.411  -2.526  1.00 95.23           O  
-ATOM   3300  CG  TYR B 613      10.460   0.745   1.149  1.00 95.23           C  
-ATOM   3301  CD1 TYR B 613       9.910  -0.524   1.315  1.00 95.23           C  
-ATOM   3302  CD2 TYR B 613      10.466   1.608   2.239  1.00 95.23           C  
-ATOM   3303  CE1 TYR B 613       9.379  -0.923   2.537  1.00 95.23           C  
-ATOM   3304  CE2 TYR B 613       9.938   1.220   3.466  1.00 95.23           C  
-ATOM   3305  OH  TYR B 613       8.873  -0.435   4.817  1.00 95.23           O  
-ATOM   3306  CZ  TYR B 613       9.398  -0.046   3.605  1.00 95.23           C  
-ATOM   3307  N   ALA B 614      13.192   1.734  -2.432  1.00 97.47           N  
-ATOM   3308  CA  ALA B 614      13.372   1.721  -3.882  1.00 97.47           C  
-ATOM   3309  C   ALA B 614      14.532   2.620  -4.298  1.00 97.47           C  
-ATOM   3310  CB  ALA B 614      12.087   2.157  -4.581  1.00 97.47           C  
-ATOM   3311  O   ALA B 614      14.848   3.594  -3.611  1.00 97.47           O  
-ATOM   3312  N   MET B 615      15.138   2.256  -5.376  1.00 97.81           N  
-ATOM   3313  CA  MET B 615      16.212   3.035  -5.985  1.00 97.81           C  
-ATOM   3314  C   MET B 615      16.180   2.910  -7.505  1.00 97.81           C  
-ATOM   3315  CB  MET B 615      17.573   2.585  -5.452  1.00 97.81           C  
-ATOM   3316  O   MET B 615      15.673   1.922  -8.040  1.00 97.81           O  
-ATOM   3317  CG  MET B 615      17.969   1.183  -5.886  1.00 97.81           C  
-ATOM   3318  SD  MET B 615      18.877   1.172  -7.480  1.00 97.81           S  
-ATOM   3319  CE  MET B 615      20.220   2.329  -7.092  1.00 97.81           C  
-ATOM   3320  N   HIS B 616      16.543   3.972  -8.165  1.00 98.28           N  
-ATOM   3321  CA  HIS B 616      16.621   3.936  -9.621  1.00 98.28           C  
-ATOM   3322  C   HIS B 616      17.763   4.807 -10.133  1.00 98.28           C  
-ATOM   3323  CB  HIS B 616      15.297   4.390 -10.239  1.00 98.28           C  
-ATOM   3324  O   HIS B 616      17.915   5.954  -9.706  1.00 98.28           O  
-ATOM   3325  CG  HIS B 616      15.190   4.104 -11.704  1.00 98.28           C  
-ATOM   3326  CD2 HIS B 616      15.318   2.947 -12.395  1.00 98.28           C  
-ATOM   3327  ND1 HIS B 616      14.923   5.084 -12.635  1.00 98.28           N  
-ATOM   3328  CE1 HIS B 616      14.890   4.540 -13.840  1.00 98.28           C  
-ATOM   3329  NE2 HIS B 616      15.126   3.244 -13.722  1.00 98.28           N  
-ATOM   3330  N   TRP B 617      18.568   4.211 -11.126  1.00 98.06           N  
-ATOM   3331  CA  TRP B 617      19.678   4.942 -11.728  1.00 98.06           C  
-ATOM   3332  C   TRP B 617      19.170   5.981 -12.723  1.00 98.06           C  
-ATOM   3333  CB  TRP B 617      20.643   3.979 -12.425  1.00 98.06           C  
-ATOM   3334  O   TRP B 617      18.179   5.749 -13.420  1.00 98.06           O  
-ATOM   3335  CG  TRP B 617      21.488   3.176 -11.482  1.00 98.06           C  
-ATOM   3336  CD1 TRP B 617      21.293   1.877 -11.102  1.00 98.06           C  
-ATOM   3337  CD2 TRP B 617      22.661   3.623 -10.795  1.00 98.06           C  
-ATOM   3338  CE2 TRP B 617      23.127   2.541 -10.016  1.00 98.06           C  
-ATOM   3339  CE3 TRP B 617      23.365   4.834 -10.764  1.00 98.06           C  
-ATOM   3340  NE1 TRP B 617      22.275   1.489 -10.221  1.00 98.06           N  
-ATOM   3341  CH2 TRP B 617      24.936   3.831  -9.201  1.00 98.06           C  
-ATOM   3342  CZ2 TRP B 617      24.266   2.635  -9.213  1.00 98.06           C  
-ATOM   3343  CZ3 TRP B 617      24.499   4.926  -9.965  1.00 98.06           C  
-ATOM   3344  N   GLY B 618      19.844   7.069 -12.758  1.00 95.79           N  
-ATOM   3345  CA  GLY B 618      19.686   7.970 -13.888  1.00 95.79           C  
-ATOM   3346  C   GLY B 618      20.379   7.479 -15.145  1.00 95.79           C  
-ATOM   3347  O   GLY B 618      21.183   6.546 -15.092  1.00 95.79           O  
-ATOM   3348  N   THR B 619      20.116   8.091 -16.279  1.00 92.34           N  
-ATOM   3349  CA  THR B 619      20.670   7.621 -17.544  1.00 92.34           C  
-ATOM   3350  C   THR B 619      22.119   8.074 -17.701  1.00 92.34           C  
-ATOM   3351  CB  THR B 619      19.840   8.125 -18.739  1.00 92.34           C  
-ATOM   3352  O   THR B 619      22.848   7.558 -18.551  1.00 92.34           O  
-ATOM   3353  CG2 THR B 619      18.474   7.449 -18.784  1.00 92.34           C  
-ATOM   3354  OG1 THR B 619      19.656   9.542 -18.622  1.00 92.34           O  
-ATOM   3355  N   ASP B 620      22.565   8.890 -16.821  1.00 93.79           N  
-ATOM   3356  CA  ASP B 620      23.922   9.424 -16.901  1.00 93.79           C  
-ATOM   3357  C   ASP B 620      24.926   8.471 -16.258  1.00 93.79           C  
-ATOM   3358  CB  ASP B 620      23.998  10.799 -16.233  1.00 93.79           C  
-ATOM   3359  O   ASP B 620      26.119   8.774 -16.187  1.00 93.79           O  
-ATOM   3360  CG  ASP B 620      23.584  10.772 -14.773  1.00 93.79           C  
-ATOM   3361  OD1 ASP B 620      23.176   9.701 -14.274  1.00 93.79           O  
-ATOM   3362  OD2 ASP B 620      23.663  11.832 -14.116  1.00 93.79           O  
-ATOM   3363  N   SER B 621      24.471   7.327 -15.705  1.00 94.73           N  
-ATOM   3364  CA  SER B 621      25.280   6.302 -15.055  1.00 94.73           C  
-ATOM   3365  C   SER B 621      26.056   6.875 -13.874  1.00 94.73           C  
-ATOM   3366  CB  SER B 621      26.251   5.671 -16.055  1.00 94.73           C  
-ATOM   3367  O   SER B 621      27.099   6.341 -13.491  1.00 94.73           O  
-ATOM   3368  OG  SER B 621      25.547   4.990 -17.079  1.00 94.73           O  
-ATOM   3369  N   ARG B 622      25.521   7.934 -13.415  1.00 95.23           N  
-ATOM   3370  CA  ARG B 622      26.185   8.607 -12.303  1.00 95.23           C  
-ATOM   3371  C   ARG B 622      25.204   8.891 -11.170  1.00 95.23           C  
-ATOM   3372  CB  ARG B 622      26.833   9.911 -12.773  1.00 95.23           C  
-ATOM   3373  O   ARG B 622      25.407   8.442 -10.040  1.00 95.23           O  
-ATOM   3374  CG  ARG B 622      27.505  10.701 -11.662  1.00 95.23           C  
-ATOM   3375  CD  ARG B 622      28.250  11.913 -12.202  1.00 95.23           C  
-ATOM   3376  NE  ARG B 622      28.795  12.735 -11.125  1.00 95.23           N  
-ATOM   3377  NH1 ARG B 622      29.872  14.223 -12.527  1.00 95.23           N  
-ATOM   3378  NH2 ARG B 622      29.995  14.488 -10.253  1.00 95.23           N  
-ATOM   3379  CZ  ARG B 622      29.553  13.813 -11.304  1.00 95.23           C  
-ATOM   3380  N   LEU B 623      24.149   9.514 -11.468  1.00 97.25           N  
-ATOM   3381  CA  LEU B 623      23.168   9.899 -10.459  1.00 97.25           C  
-ATOM   3382  C   LEU B 623      22.143   8.790 -10.246  1.00 97.25           C  
-ATOM   3383  CB  LEU B 623      22.459  11.194 -10.866  1.00 97.25           C  
-ATOM   3384  O   LEU B 623      21.837   8.036 -11.173  1.00 97.25           O  
-ATOM   3385  CG  LEU B 623      23.348  12.426 -11.045  1.00 97.25           C  
-ATOM   3386  CD1 LEU B 623      22.507  13.632 -11.449  1.00 97.25           C  
-ATOM   3387  CD2 LEU B 623      24.126  12.714  -9.765  1.00 97.25           C  
-ATOM   3388  N   LEU B 624      21.709   8.688  -9.051  1.00 97.81           N  
-ATOM   3389  CA  LEU B 624      20.609   7.776  -8.758  1.00 97.81           C  
-ATOM   3390  C   LEU B 624      19.673   8.371  -7.712  1.00 97.81           C  
-ATOM   3391  CB  LEU B 624      21.146   6.427  -8.271  1.00 97.81           C  
-ATOM   3392  O   LEU B 624      20.063   9.269  -6.963  1.00 97.81           O  
-ATOM   3393  CG  LEU B 624      21.907   6.440  -6.944  1.00 97.81           C  
-ATOM   3394  CD1 LEU B 624      20.957   6.156  -5.785  1.00 97.81           C  
-ATOM   3395  CD2 LEU B 624      23.045   5.425  -6.970  1.00 97.81           C  
-ATOM   3396  N   VAL B 625      18.441   7.918  -7.754  1.00 98.40           N  
-ATOM   3397  CA  VAL B 625      17.438   8.369  -6.794  1.00 98.40           C  
-ATOM   3398  C   VAL B 625      17.042   7.213  -5.878  1.00 98.40           C  
-ATOM   3399  CB  VAL B 625      16.189   8.937  -7.504  1.00 98.40           C  
-ATOM   3400  O   VAL B 625      16.973   6.062  -6.315  1.00 98.40           O  
-ATOM   3401  CG1 VAL B 625      15.532   7.871  -8.379  1.00 98.40           C  
-ATOM   3402  CG2 VAL B 625      15.194   9.479  -6.480  1.00 98.40           C  
-ATOM   3403  N   SER B 626      16.898   7.520  -4.615  1.00 98.52           N  
-ATOM   3404  CA  SER B 626      16.442   6.538  -3.638  1.00 98.52           C  
-ATOM   3405  C   SER B 626      15.247   7.059  -2.846  1.00 98.52           C  
-ATOM   3406  CB  SER B 626      17.576   6.168  -2.680  1.00 98.52           C  
-ATOM   3407  O   SER B 626      15.132   8.263  -2.607  1.00 98.52           O  
-ATOM   3408  OG  SER B 626      17.994   7.299  -1.935  1.00 98.52           O  
-ATOM   3409  N   ALA B 627      14.359   6.144  -2.474  1.00 97.48           N  
-ATOM   3410  CA  ALA B 627      13.181   6.454  -1.668  1.00 97.48           C  
-ATOM   3411  C   ALA B 627      13.200   5.685  -0.350  1.00 97.48           C  
-ATOM   3412  CB  ALA B 627      11.906   6.138  -2.447  1.00 97.48           C  
-ATOM   3413  O   ALA B 627      13.398   4.468  -0.338  1.00 97.48           O  
-ATOM   3414  N   SER B 628      12.904   6.380   0.722  1.00 94.97           N  
-ATOM   3415  CA  SER B 628      13.034   5.779   2.045  1.00 94.97           C  
-ATOM   3416  C   SER B 628      11.810   6.069   2.907  1.00 94.97           C  
-ATOM   3417  CB  SER B 628      14.294   6.290   2.745  1.00 94.97           C  
-ATOM   3418  O   SER B 628      11.036   6.980   2.608  1.00 94.97           O  
-ATOM   3419  OG  SER B 628      14.339   5.845   4.089  1.00 94.97           O  
-ATOM   3420  N   GLN B 629      11.713   5.246   3.896  1.00 88.36           N  
-ATOM   3421  CA  GLN B 629      10.633   5.399   4.865  1.00 88.36           C  
-ATOM   3422  C   GLN B 629      10.820   6.662   5.702  1.00 88.36           C  
-ATOM   3423  CB  GLN B 629      10.550   4.173   5.775  1.00 88.36           C  
-ATOM   3424  O   GLN B 629       9.932   7.042   6.467  1.00 88.36           O  
-ATOM   3425  CG  GLN B 629       9.291   4.127   6.631  1.00 88.36           C  
-ATOM   3426  CD  GLN B 629       9.140   2.817   7.382  1.00 88.36           C  
-ATOM   3427  NE2 GLN B 629       7.925   2.534   7.840  1.00 88.36           N  
-ATOM   3428  OE1 GLN B 629      10.106   2.066   7.548  1.00 88.36           O  
-ATOM   3429  N   ASP B 630      11.892   7.152   5.618  1.00 88.14           N  
-ATOM   3430  CA  ASP B 630      12.119   8.400   6.339  1.00 88.14           C  
-ATOM   3431  C   ASP B 630      11.371   9.558   5.683  1.00 88.14           C  
-ATOM   3432  CB  ASP B 630      13.615   8.714   6.410  1.00 88.14           C  
-ATOM   3433  O   ASP B 630      11.453  10.698   6.143  1.00 88.14           O  
-ATOM   3434  CG  ASP B 630      14.239   8.939   5.045  1.00 88.14           C  
-ATOM   3435  OD1 ASP B 630      13.501   8.991   4.037  1.00 88.14           O  
-ATOM   3436  OD2 ASP B 630      15.481   9.062   4.974  1.00 88.14           O  
-ATOM   3437  N   GLY B 631      10.697   9.336   4.597  1.00 88.50           N  
-ATOM   3438  CA  GLY B 631       9.854  10.317   3.932  1.00 88.50           C  
-ATOM   3439  C   GLY B 631      10.623  11.222   2.988  1.00 88.50           C  
-ATOM   3440  O   GLY B 631      10.216  12.359   2.741  1.00 88.50           O  
-ATOM   3441  N   LYS B 632      11.778  10.673   2.521  1.00 94.13           N  
-ATOM   3442  CA  LYS B 632      12.607  11.503   1.651  1.00 94.13           C  
-ATOM   3443  C   LYS B 632      12.982  10.757   0.373  1.00 94.13           C  
-ATOM   3444  CB  LYS B 632      13.871  11.955   2.384  1.00 94.13           C  
-ATOM   3445  O   LYS B 632      13.183   9.541   0.395  1.00 94.13           O  
-ATOM   3446  CG  LYS B 632      13.602  12.845   3.589  1.00 94.13           C  
-ATOM   3447  CD  LYS B 632      14.844  13.632   3.990  1.00 94.13           C  
-ATOM   3448  CE  LYS B 632      14.573  14.533   5.187  1.00 94.13           C  
-ATOM   3449  NZ  LYS B 632      15.802  15.264   5.619  1.00 94.13           N  
-ATOM   3450  N   LEU B 633      12.984  11.523  -0.681  1.00 97.01           N  
-ATOM   3451  CA  LEU B 633      13.731  11.137  -1.874  1.00 97.01           C  
-ATOM   3452  C   LEU B 633      15.112  11.782  -1.882  1.00 97.01           C  
-ATOM   3453  CB  LEU B 633      12.963  11.531  -3.138  1.00 97.01           C  
-ATOM   3454  O   LEU B 633      15.238  12.994  -1.691  1.00 97.01           O  
-ATOM   3455  CG  LEU B 633      11.734  10.685  -3.477  1.00 97.01           C  
-ATOM   3456  CD1 LEU B 633      10.985  11.288  -4.660  1.00 97.01           C  
-ATOM   3457  CD2 LEU B 633      12.142   9.246  -3.773  1.00 97.01           C  
-ATOM   3458  N   ILE B 634      16.126  10.942  -2.077  1.00 97.62           N  
-ATOM   3459  CA  ILE B 634      17.458  11.532  -2.155  1.00 97.62           C  
-ATOM   3460  C   ILE B 634      18.072  11.243  -3.523  1.00 97.62           C  
-ATOM   3461  CB  ILE B 634      18.378  11.002  -1.032  1.00 97.62           C  
-ATOM   3462  O   ILE B 634      18.027  10.108  -4.002  1.00 97.62           O  
-ATOM   3463  CG1 ILE B 634      17.828  11.401   0.342  1.00 97.62           C  
-ATOM   3464  CG2 ILE B 634      19.809  11.514  -1.219  1.00 97.62           C  
-ATOM   3465  CD1 ILE B 634      18.650  10.882   1.513  1.00 97.62           C  
-ATOM   3466  N   ILE B 635      18.562  12.268  -4.126  1.00 97.57           N  
-ATOM   3467  CA  ILE B 635      19.344  12.124  -5.349  1.00 97.57           C  
-ATOM   3468  C   ILE B 635      20.834  12.130  -5.013  1.00 97.57           C  
-ATOM   3469  CB  ILE B 635      19.019  13.244  -6.363  1.00 97.57           C  
-ATOM   3470  O   ILE B 635      21.328  13.060  -4.372  1.00 97.57           O  
-ATOM   3471  CG1 ILE B 635      17.507  13.329  -6.599  1.00 97.57           C  
-ATOM   3472  CG2 ILE B 635      19.767  13.015  -7.680  1.00 97.57           C  
-ATOM   3473  CD1 ILE B 635      16.867  12.005  -6.993  1.00 97.57           C  
-ATOM   3474  N   TRP B 636      21.483  11.045  -5.514  1.00 97.65           N  
-ATOM   3475  CA  TRP B 636      22.875  10.822  -5.138  1.00 97.65           C  
-ATOM   3476  C   TRP B 636      23.798  10.988  -6.342  1.00 97.65           C  
-ATOM   3477  CB  TRP B 636      23.052   9.427  -4.533  1.00 97.65           C  
-ATOM   3478  O   TRP B 636      23.420  10.665  -7.470  1.00 97.65           O  
-ATOM   3479  CG  TRP B 636      22.062   9.100  -3.456  1.00 97.65           C  
-ATOM   3480  CD1 TRP B 636      20.787   8.635  -3.622  1.00 97.65           C  
-ATOM   3481  CD2 TRP B 636      22.264   9.220  -2.044  1.00 97.65           C  
-ATOM   3482  CE2 TRP B 636      21.069   8.809  -1.414  1.00 97.65           C  
-ATOM   3483  CE3 TRP B 636      23.342   9.635  -1.250  1.00 97.65           C  
-ATOM   3484  NE1 TRP B 636      20.185   8.458  -2.398  1.00 97.65           N  
-ATOM   3485  CH2 TRP B 636      21.992   9.211   0.728  1.00 97.65           C  
-ATOM   3486  CZ2 TRP B 636      20.922   8.801  -0.025  1.00 97.65           C  
-ATOM   3487  CZ3 TRP B 636      23.194   9.626   0.132  1.00 97.65           C  
-ATOM   3488  N   ASP B 637      24.955  11.521  -6.044  1.00 96.09           N  
-ATOM   3489  CA  ASP B 637      26.111  11.308  -6.910  1.00 96.09           C  
-ATOM   3490  C   ASP B 637      26.926  10.101  -6.451  1.00 96.09           C  
-ATOM   3491  CB  ASP B 637      26.993  12.557  -6.945  1.00 96.09           C  
-ATOM   3492  O   ASP B 637      27.593  10.154  -5.416  1.00 96.09           O  
-ATOM   3493  CG  ASP B 637      28.091  12.479  -7.992  1.00 96.09           C  
-ATOM   3494  OD1 ASP B 637      28.664  11.387  -8.194  1.00 96.09           O  
-ATOM   3495  OD2 ASP B 637      28.387  13.520  -8.618  1.00 96.09           O  
-ATOM   3496  N   SER B 638      26.921   9.082  -7.278  1.00 95.45           N  
-ATOM   3497  CA  SER B 638      27.451   7.786  -6.867  1.00 95.45           C  
-ATOM   3498  C   SER B 638      28.974   7.814  -6.781  1.00 95.45           C  
-ATOM   3499  CB  SER B 638      27.008   6.693  -7.839  1.00 95.45           C  
-ATOM   3500  O   SER B 638      29.576   7.001  -6.077  1.00 95.45           O  
-ATOM   3501  OG  SER B 638      27.546   6.918  -9.130  1.00 95.45           O  
-ATOM   3502  N   TYR B 639      29.668   8.759  -7.449  1.00 92.58           N  
-ATOM   3503  CA  TYR B 639      31.125   8.830  -7.458  1.00 92.58           C  
-ATOM   3504  C   TYR B 639      31.642   9.576  -6.234  1.00 92.58           C  
-ATOM   3505  CB  TYR B 639      31.622   9.515  -8.735  1.00 92.58           C  
-ATOM   3506  O   TYR B 639      32.584   9.127  -5.578  1.00 92.58           O  
-ATOM   3507  CG  TYR B 639      31.538   8.642  -9.964  1.00 92.58           C  
-ATOM   3508  CD1 TYR B 639      32.570   7.766 -10.292  1.00 92.58           C  
-ATOM   3509  CD2 TYR B 639      30.428   8.693 -10.800  1.00 92.58           C  
-ATOM   3510  CE1 TYR B 639      32.498   6.962 -11.424  1.00 92.58           C  
-ATOM   3511  CE2 TYR B 639      30.345   7.893 -11.935  1.00 92.58           C  
-ATOM   3512  OH  TYR B 639      31.307   6.237 -13.360  1.00 92.58           O  
-ATOM   3513  CZ  TYR B 639      31.383   7.032 -12.238  1.00 92.58           C  
-ATOM   3514  N   THR B 640      30.921  10.633  -5.914  1.00 93.77           N  
-ATOM   3515  CA  THR B 640      31.412  11.488  -4.838  1.00 93.77           C  
-ATOM   3516  C   THR B 640      30.674  11.195  -3.535  1.00 93.77           C  
-ATOM   3517  CB  THR B 640      31.258  12.978  -5.195  1.00 93.77           C  
-ATOM   3518  O   THR B 640      31.091  11.644  -2.465  1.00 93.77           O  
-ATOM   3519  CG2 THR B 640      32.012  13.318  -6.476  1.00 93.77           C  
-ATOM   3520  OG1 THR B 640      29.869  13.278  -5.377  1.00 93.77           O  
-ATOM   3521  N   THR B 641      29.516  10.530  -3.640  1.00 94.98           N  
-ATOM   3522  CA  THR B 641      28.644  10.171  -2.527  1.00 94.98           C  
-ATOM   3523  C   THR B 641      27.890  11.395  -2.014  1.00 94.98           C  
-ATOM   3524  CB  THR B 641      29.442   9.536  -1.374  1.00 94.98           C  
-ATOM   3525  O   THR B 641      27.239  11.337  -0.969  1.00 94.98           O  
-ATOM   3526  CG2 THR B 641      30.246   8.334  -1.858  1.00 94.98           C  
-ATOM   3527  OG1 THR B 641      30.340  10.510  -0.828  1.00 94.98           O  
-ATOM   3528  N   ASN B 642      28.027  12.448  -2.801  1.00 94.69           N  
-ATOM   3529  CA  ASN B 642      27.325  13.672  -2.430  1.00 94.69           C  
-ATOM   3530  C   ASN B 642      25.819  13.542  -2.645  1.00 94.69           C  
-ATOM   3531  CB  ASN B 642      27.873  14.865  -3.216  1.00 94.69           C  
-ATOM   3532  O   ASN B 642      25.378  12.886  -3.590  1.00 94.69           O  
-ATOM   3533  CG  ASN B 642      29.290  15.226  -2.817  1.00 94.69           C  
-ATOM   3534  ND2 ASN B 642      30.003  15.903  -3.709  1.00 94.69           N  
-ATOM   3535  OD1 ASN B 642      29.740  14.899  -1.716  1.00 94.69           O  
-ATOM   3536  N   LYS B 643      25.090  14.161  -1.701  1.00 94.49           N  
-ATOM   3537  CA  LYS B 643      23.652  14.320  -1.902  1.00 94.49           C  
-ATOM   3538  C   LYS B 643      23.349  15.559  -2.740  1.00 94.49           C  
-ATOM   3539  CB  LYS B 643      22.928  14.407  -0.558  1.00 94.49           C  
-ATOM   3540  O   LYS B 643      23.677  16.679  -2.344  1.00 94.49           O  
-ATOM   3541  CG  LYS B 643      23.130  13.190   0.334  1.00 94.49           C  
-ATOM   3542  CD  LYS B 643      22.694  13.469   1.766  1.00 94.49           C  
-ATOM   3543  CE  LYS B 643      23.284  12.455   2.738  1.00 94.49           C  
-ATOM   3544  NZ  LYS B 643      24.721  12.739   3.030  1.00 94.49           N  
-ATOM   3545  N   VAL B 644      22.740  15.240  -3.922  1.00 93.56           N  
-ATOM   3546  CA  VAL B 644      22.458  16.347  -4.830  1.00 93.56           C  
-ATOM   3547  C   VAL B 644      21.160  17.037  -4.417  1.00 93.56           C  
-ATOM   3548  CB  VAL B 644      22.363  15.868  -6.296  1.00 93.56           C  
-ATOM   3549  O   VAL B 644      21.085  18.268  -4.390  1.00 93.56           O  
-ATOM   3550  CG1 VAL B 644      22.046  17.037  -7.227  1.00 93.56           C  
-ATOM   3551  CG2 VAL B 644      23.661  15.182  -6.718  1.00 93.56           C  
-ATOM   3552  N   HIS B 645      20.158  16.260  -4.099  1.00 93.49           N  
-ATOM   3553  CA  HIS B 645      18.868  16.729  -3.606  1.00 93.49           C  
-ATOM   3554  C   HIS B 645      18.350  15.836  -2.483  1.00 93.49           C  
-ATOM   3555  CB  HIS B 645      17.847  16.786  -4.744  1.00 93.49           C  
-ATOM   3556  O   HIS B 645      18.616  14.632  -2.468  1.00 93.49           O  
-ATOM   3557  CG  HIS B 645      18.189  17.780  -5.807  1.00 93.49           C  
-ATOM   3558  CD2 HIS B 645      18.591  17.608  -7.089  1.00 93.49           C  
-ATOM   3559  ND1 HIS B 645      18.138  19.141  -5.598  1.00 93.49           N  
-ATOM   3560  CE1 HIS B 645      18.493  19.765  -6.709  1.00 93.49           C  
-ATOM   3561  NE2 HIS B 645      18.773  18.858  -7.628  1.00 93.49           N  
-ATOM   3562  N   ALA B 646      17.670  16.442  -1.563  1.00 94.10           N  
-ATOM   3563  CA  ALA B 646      16.840  15.745  -0.583  1.00 94.10           C  
-ATOM   3564  C   ALA B 646      15.415  16.292  -0.584  1.00 94.10           C  
-ATOM   3565  CB  ALA B 646      17.451  15.862   0.811  1.00 94.10           C  
-ATOM   3566  O   ALA B 646      15.167  17.394  -0.089  1.00 94.10           O  
-ATOM   3567  N   ILE B 647      14.563  15.483  -1.139  1.00 93.95           N  
-ATOM   3568  CA  ILE B 647      13.203  15.948  -1.387  1.00 93.95           C  
-ATOM   3569  C   ILE B 647      12.255  15.340  -0.355  1.00 93.95           C  
-ATOM   3570  CB  ILE B 647      12.736  15.595  -2.817  1.00 93.95           C  
-ATOM   3571  O   ILE B 647      12.103  14.118  -0.287  1.00 93.95           O  
-ATOM   3572  CG1 ILE B 647      13.747  16.107  -3.850  1.00 93.95           C  
-ATOM   3573  CG2 ILE B 647      11.341  16.167  -3.086  1.00 93.95           C  
-ATOM   3574  CD1 ILE B 647      13.560  15.521  -5.242  1.00 93.95           C  
-ATOM   3575  N   PRO B 648      11.594  16.182   0.451  1.00 91.13           N  
-ATOM   3576  CA  PRO B 648      10.597  15.650   1.382  1.00 91.13           C  
-ATOM   3577  C   PRO B 648       9.331  15.166   0.679  1.00 91.13           C  
-ATOM   3578  CB  PRO B 648      10.294  16.843   2.292  1.00 91.13           C  
-ATOM   3579  O   PRO B 648       8.849  15.818  -0.250  1.00 91.13           O  
-ATOM   3580  CG  PRO B 648      10.648  18.045   1.478  1.00 91.13           C  
-ATOM   3581  CD  PRO B 648      11.720  17.659   0.499  1.00 91.13           C  
-ATOM   3582  N   LEU B 649       8.897  14.031   1.139  1.00 88.99           N  
-ATOM   3583  CA  LEU B 649       7.701  13.442   0.547  1.00 88.99           C  
-ATOM   3584  C   LEU B 649       6.463  13.782   1.371  1.00 88.99           C  
-ATOM   3585  CB  LEU B 649       7.851  11.922   0.434  1.00 88.99           C  
-ATOM   3586  O   LEU B 649       6.561  14.014   2.578  1.00 88.99           O  
-ATOM   3587  CG  LEU B 649       9.053  11.418  -0.367  1.00 88.99           C  
-ATOM   3588  CD1 LEU B 649       9.188   9.906  -0.223  1.00 88.99           C  
-ATOM   3589  CD2 LEU B 649       8.921  11.811  -1.834  1.00 88.99           C  
-ATOM   3590  N   ARG B 650       5.337  13.801   0.800  1.00 75.85           N  
-ATOM   3591  CA  ARG B 650       4.064  14.014   1.482  1.00 75.85           C  
-ATOM   3592  C   ARG B 650       3.742  12.853   2.417  1.00 75.85           C  
-ATOM   3593  CB  ARG B 650       2.934  14.197   0.467  1.00 75.85           C  
-ATOM   3594  O   ARG B 650       3.259  13.062   3.532  1.00 75.85           O  
-ATOM   3595  CG  ARG B 650       1.626  14.673   1.079  1.00 75.85           C  
-ATOM   3596  CD  ARG B 650       0.501  14.703   0.054  1.00 75.85           C  
-ATOM   3597  NE  ARG B 650      -0.611  15.537   0.500  1.00 75.85           N  
-ATOM   3598  NH1 ARG B 650      -2.256  14.179  -0.388  1.00 75.85           N  
-ATOM   3599  NH2 ARG B 650      -2.827  16.098   0.729  1.00 75.85           N  
-ATOM   3600  CZ  ARG B 650      -1.895  15.269   0.279  1.00 75.85           C  
-ATOM   3601  N   SER B 651       4.023  11.654   1.805  1.00 80.46           N  
-ATOM   3602  CA  SER B 651       3.804  10.433   2.575  1.00 80.46           C  
-ATOM   3603  C   SER B 651       5.106   9.664   2.773  1.00 80.46           C  
-ATOM   3604  CB  SER B 651       2.774   9.540   1.882  1.00 80.46           C  
-ATOM   3605  O   SER B 651       5.895   9.518   1.837  1.00 80.46           O  
-ATOM   3606  OG  SER B 651       2.666   8.291   2.545  1.00 80.46           O  
-ATOM   3607  N   SER B 652       5.339   9.283   3.989  1.00 79.54           N  
-ATOM   3608  CA  SER B 652       6.550   8.535   4.311  1.00 79.54           C  
-ATOM   3609  C   SER B 652       6.456   7.093   3.822  1.00 79.54           C  
-ATOM   3610  CB  SER B 652       6.807   8.554   5.819  1.00 79.54           C  
-ATOM   3611  O   SER B 652       7.465   6.390   3.748  1.00 79.54           O  
-ATOM   3612  OG  SER B 652       5.682   8.064   6.527  1.00 79.54           O  
-ATOM   3613  N   TRP B 653       5.315   6.693   3.355  1.00 81.73           N  
-ATOM   3614  CA  TRP B 653       5.113   5.298   2.978  1.00 81.73           C  
-ATOM   3615  C   TRP B 653       5.314   5.105   1.478  1.00 81.73           C  
-ATOM   3616  CB  TRP B 653       3.712   4.828   3.382  1.00 81.73           C  
-ATOM   3617  O   TRP B 653       4.347   4.929   0.733  1.00 81.73           O  
-ATOM   3618  CG  TRP B 653       3.421   4.971   4.845  1.00 81.73           C  
-ATOM   3619  CD1 TRP B 653       2.618   5.905   5.438  1.00 81.73           C  
-ATOM   3620  CD2 TRP B 653       3.936   4.155   5.902  1.00 81.73           C  
-ATOM   3621  CE2 TRP B 653       3.401   4.652   7.112  1.00 81.73           C  
-ATOM   3622  CE3 TRP B 653       4.797   3.051   5.944  1.00 81.73           C  
-ATOM   3623  NE1 TRP B 653       2.602   5.718   6.801  1.00 81.73           N  
-ATOM   3624  CH2 TRP B 653       4.546   3.001   8.363  1.00 81.73           C  
-ATOM   3625  CZ2 TRP B 653       3.701   4.080   8.351  1.00 81.73           C  
-ATOM   3626  CZ3 TRP B 653       5.094   2.483   7.178  1.00 81.73           C  
-ATOM   3627  N   VAL B 654       6.539   5.168   1.129  1.00 91.50           N  
-ATOM   3628  CA  VAL B 654       6.954   5.108  -0.269  1.00 91.50           C  
-ATOM   3629  C   VAL B 654       7.365   3.682  -0.626  1.00 91.50           C  
-ATOM   3630  CB  VAL B 654       8.116   6.085  -0.558  1.00 91.50           C  
-ATOM   3631  O   VAL B 654       7.953   2.974   0.195  1.00 91.50           O  
-ATOM   3632  CG1 VAL B 654       9.352   5.710   0.258  1.00 91.50           C  
-ATOM   3633  CG2 VAL B 654       8.441   6.100  -2.050  1.00 91.50           C  
-ATOM   3634  N   MET B 655       6.982   3.274  -1.826  1.00 93.35           N  
-ATOM   3635  CA  MET B 655       7.293   1.906  -2.230  1.00 93.35           C  
-ATOM   3636  C   MET B 655       8.127   1.893  -3.507  1.00 93.35           C  
-ATOM   3637  CB  MET B 655       6.010   1.100  -2.434  1.00 93.35           C  
-ATOM   3638  O   MET B 655       8.778   0.894  -3.817  1.00 93.35           O  
-ATOM   3639  CG  MET B 655       5.238   0.839  -1.151  1.00 93.35           C  
-ATOM   3640  SD  MET B 655       3.868  -0.358  -1.385  1.00 93.35           S  
-ATOM   3641  CE  MET B 655       4.816  -1.883  -1.645  1.00 93.35           C  
-ATOM   3642  N   THR B 656       8.098   2.982  -4.230  1.00 97.27           N  
-ATOM   3643  CA  THR B 656       8.781   3.005  -5.518  1.00 97.27           C  
-ATOM   3644  C   THR B 656       9.249   4.418  -5.858  1.00 97.27           C  
-ATOM   3645  CB  THR B 656       7.871   2.478  -6.643  1.00 97.27           C  
-ATOM   3646  O   THR B 656       8.691   5.398  -5.361  1.00 97.27           O  
-ATOM   3647  CG2 THR B 656       6.712   3.434  -6.905  1.00 97.27           C  
-ATOM   3648  OG1 THR B 656       8.639   2.335  -7.844  1.00 97.27           O  
-ATOM   3649  N   CYS B 657      10.259   4.527  -6.672  1.00 98.03           N  
-ATOM   3650  CA  CYS B 657      10.726   5.781  -7.252  1.00 98.03           C  
-ATOM   3651  C   CYS B 657      11.284   5.560  -8.653  1.00 98.03           C  
-ATOM   3652  CB  CYS B 657      11.793   6.419  -6.363  1.00 98.03           C  
-ATOM   3653  O   CYS B 657      11.635   4.435  -9.015  1.00 98.03           O  
-ATOM   3654  SG  CYS B 657      13.303   5.439  -6.221  1.00 98.03           S  
-ATOM   3655  N   ALA B 658      11.263   6.601  -9.425  1.00 98.27           N  
-ATOM   3656  CA  ALA B 658      11.763   6.492 -10.793  1.00 98.27           C  
-ATOM   3657  C   ALA B 658      12.433   7.789 -11.236  1.00 98.27           C  
-ATOM   3658  CB  ALA B 658      10.627   6.131 -11.747  1.00 98.27           C  
-ATOM   3659  O   ALA B 658      12.027   8.878 -10.823  1.00 98.27           O  
-ATOM   3660  N   TYR B 659      13.450   7.588 -12.060  1.00 97.47           N  
-ATOM   3661  CA  TYR B 659      14.193   8.693 -12.654  1.00 97.47           C  
-ATOM   3662  C   TYR B 659      13.827   8.869 -14.123  1.00 97.47           C  
-ATOM   3663  CB  TYR B 659      15.701   8.463 -12.515  1.00 97.47           C  
-ATOM   3664  O   TYR B 659      13.941   7.929 -14.914  1.00 97.47           O  
-ATOM   3665  CG  TYR B 659      16.477   9.712 -12.175  1.00 97.47           C  
-ATOM   3666  CD1 TYR B 659      16.477  10.810 -13.032  1.00 97.47           C  
-ATOM   3667  CD2 TYR B 659      17.211   9.797 -10.997  1.00 97.47           C  
-ATOM   3668  CE1 TYR B 659      17.192  11.963 -12.724  1.00 97.47           C  
-ATOM   3669  CE2 TYR B 659      17.930  10.945 -10.679  1.00 97.47           C  
-ATOM   3670  OH  TYR B 659      18.623  13.159 -11.236  1.00 97.47           O  
-ATOM   3671  CZ  TYR B 659      17.914  12.021 -11.547  1.00 97.47           C  
-ATOM   3672  N   ALA B 660      13.430  10.080 -14.467  1.00 96.88           N  
-ATOM   3673  CA  ALA B 660      13.058  10.334 -15.856  1.00 96.88           C  
-ATOM   3674  C   ALA B 660      14.283  10.309 -16.766  1.00 96.88           C  
-ATOM   3675  CB  ALA B 660      12.337  11.674 -15.977  1.00 96.88           C  
-ATOM   3676  O   ALA B 660      15.381  10.683 -16.348  1.00 96.88           O  
-ATOM   3677  N   PRO B 661      14.125   9.942 -18.014  1.00 95.15           N  
-ATOM   3678  CA  PRO B 661      15.247   9.840 -18.950  1.00 95.15           C  
-ATOM   3679  C   PRO B 661      15.953  11.176 -19.173  1.00 95.15           C  
-ATOM   3680  CB  PRO B 661      14.587   9.349 -20.240  1.00 95.15           C  
-ATOM   3681  O   PRO B 661      17.165  11.208 -19.398  1.00 95.15           O  
-ATOM   3682  CG  PRO B 661      13.331   8.672 -19.794  1.00 95.15           C  
-ATOM   3683  CD  PRO B 661      12.867   9.321 -18.521  1.00 95.15           C  
-ATOM   3684  N   SER B 662      15.241  12.222 -19.110  1.00 94.33           N  
-ATOM   3685  CA  SER B 662      15.827  13.545 -19.295  1.00 94.33           C  
-ATOM   3686  C   SER B 662      16.758  13.905 -18.142  1.00 94.33           C  
-ATOM   3687  CB  SER B 662      14.731  14.604 -19.425  1.00 94.33           C  
-ATOM   3688  O   SER B 662      17.629  14.765 -18.285  1.00 94.33           O  
-ATOM   3689  OG  SER B 662      14.011  14.734 -18.211  1.00 94.33           O  
-ATOM   3690  N   GLY B 663      16.465  13.267 -16.999  1.00 92.50           N  
-ATOM   3691  CA  GLY B 663      17.189  13.594 -15.780  1.00 92.50           C  
-ATOM   3692  C   GLY B 663      16.608  14.785 -15.042  1.00 92.50           C  
-ATOM   3693  O   GLY B 663      17.137  15.200 -14.009  1.00 92.50           O  
-ATOM   3694  N   ASN B 664      15.468  15.244 -15.514  1.00 93.04           N  
-ATOM   3695  CA  ASN B 664      14.883  16.466 -14.973  1.00 93.04           C  
-ATOM   3696  C   ASN B 664      13.782  16.160 -13.962  1.00 93.04           C  
-ATOM   3697  CB  ASN B 664      14.338  17.346 -16.101  1.00 93.04           C  
-ATOM   3698  O   ASN B 664      13.405  17.024 -13.168  1.00 93.04           O  
-ATOM   3699  CG  ASN B 664      15.433  17.893 -16.996  1.00 93.04           C  
-ATOM   3700  ND2 ASN B 664      15.102  18.132 -18.259  1.00 93.04           N  
-ATOM   3701  OD1 ASN B 664      16.567  18.098 -16.555  1.00 93.04           O  
-ATOM   3702  N   TYR B 665      13.266  14.957 -14.031  1.00 96.60           N  
-ATOM   3703  CA  TYR B 665      12.141  14.606 -13.172  1.00 96.60           C  
-ATOM   3704  C   TYR B 665      12.427  13.327 -12.395  1.00 96.60           C  
-ATOM   3705  CB  TYR B 665      10.863  14.440 -13.999  1.00 96.60           C  
-ATOM   3706  O   TYR B 665      13.159  12.455 -12.870  1.00 96.60           O  
-ATOM   3707  CG  TYR B 665      10.462  15.684 -14.754  1.00 96.60           C  
-ATOM   3708  CD1 TYR B 665       9.751  16.704 -14.125  1.00 96.60           C  
-ATOM   3709  CD2 TYR B 665      10.792  15.842 -16.095  1.00 96.60           C  
-ATOM   3710  CE1 TYR B 665       9.377  17.852 -14.817  1.00 96.60           C  
-ATOM   3711  CE2 TYR B 665      10.424  16.985 -16.797  1.00 96.60           C  
-ATOM   3712  OH  TYR B 665       9.351  19.117 -16.840  1.00 96.60           O  
-ATOM   3713  CZ  TYR B 665       9.718  17.983 -16.150  1.00 96.60           C  
-ATOM   3714  N   VAL B 666      11.840  13.307 -11.219  1.00 97.87           N  
-ATOM   3715  CA  VAL B 666      11.771  12.060 -10.465  1.00 97.87           C  
-ATOM   3716  C   VAL B 666      10.341  11.824  -9.985  1.00 97.87           C  
-ATOM   3717  CB  VAL B 666      12.742  12.069  -9.263  1.00 97.87           C  
-ATOM   3718  O   VAL B 666       9.564  12.771  -9.841  1.00 97.87           O  
-ATOM   3719  CG1 VAL B 666      14.193  12.101  -9.741  1.00 97.87           C  
-ATOM   3720  CG2 VAL B 666      12.451  13.260  -8.352  1.00 97.87           C  
-ATOM   3721  N   ALA B 667      10.059  10.553  -9.856  1.00 98.06           N  
-ATOM   3722  CA  ALA B 667       8.717  10.192  -9.405  1.00 98.06           C  
-ATOM   3723  C   ALA B 667       8.776   9.247  -8.208  1.00 98.06           C  
-ATOM   3724  CB  ALA B 667       7.927   9.554 -10.545  1.00 98.06           C  
-ATOM   3725  O   ALA B 667       9.771   8.545  -8.013  1.00 98.06           O  
-ATOM   3726  N   CYS B 668       7.679   9.302  -7.398  1.00 97.50           N  
-ATOM   3727  CA  CYS B 668       7.526   8.360  -6.295  1.00 97.50           C  
-ATOM   3728  C   CYS B 668       6.065   7.963  -6.116  1.00 97.50           C  
-ATOM   3729  CB  CYS B 668       8.063   8.962  -4.997  1.00 97.50           C  
-ATOM   3730  O   CYS B 668       5.167   8.649  -6.607  1.00 97.50           O  
-ATOM   3731  SG  CYS B 668       7.064  10.326  -4.359  1.00 97.50           S  
-ATOM   3732  N   GLY B 669       5.926   6.817  -5.522  1.00 95.59           N  
-ATOM   3733  CA  GLY B 669       4.613   6.282  -5.198  1.00 95.59           C  
-ATOM   3734  C   GLY B 669       4.638   5.300  -4.042  1.00 95.59           C  
-ATOM   3735  O   GLY B 669       5.695   4.768  -3.695  1.00 95.59           O  
-ATOM   3736  N   GLY B 670       3.405   5.136  -3.454  1.00 94.14           N  
-ATOM   3737  CA  GLY B 670       3.397   4.219  -2.326  1.00 94.14           C  
-ATOM   3738  C   GLY B 670       2.002   3.918  -1.811  1.00 94.14           C  
-ATOM   3739  O   GLY B 670       1.086   3.663  -2.597  1.00 94.14           O  
-ATOM   3740  N   LEU B 671       1.808   3.952  -0.510  1.00 87.17           N  
-ATOM   3741  CA  LEU B 671       0.599   3.459   0.140  1.00 87.17           C  
-ATOM   3742  C   LEU B 671      -0.489   4.529   0.148  1.00 87.17           C  
-ATOM   3743  CB  LEU B 671       0.904   3.014   1.573  1.00 87.17           C  
-ATOM   3744  O   LEU B 671      -1.633   4.254   0.519  1.00 87.17           O  
-ATOM   3745  CG  LEU B 671       1.739   1.742   1.724  1.00 87.17           C  
-ATOM   3746  CD1 LEU B 671       2.004   1.454   3.198  1.00 87.17           C  
-ATOM   3747  CD2 LEU B 671       1.040   0.561   1.060  1.00 87.17           C  
-ATOM   3748  N   ASP B 672      -0.135   5.663  -0.324  1.00 85.36           N  
-ATOM   3749  CA  ASP B 672      -1.143   6.717  -0.373  1.00 85.36           C  
-ATOM   3750  C   ASP B 672      -1.873   6.717  -1.714  1.00 85.36           C  
-ATOM   3751  CB  ASP B 672      -0.504   8.084  -0.122  1.00 85.36           C  
-ATOM   3752  O   ASP B 672      -2.647   7.632  -2.006  1.00 85.36           O  
-ATOM   3753  CG  ASP B 672       0.581   8.426  -1.129  1.00 85.36           C  
-ATOM   3754  OD1 ASP B 672       0.905   7.577  -1.987  1.00 85.36           O  
-ATOM   3755  OD2 ASP B 672       1.118   9.552  -1.061  1.00 85.36           O  
-ATOM   3756  N   ASN B 673      -1.542   5.837  -2.567  1.00 90.93           N  
-ATOM   3757  CA  ASN B 673      -2.176   5.584  -3.856  1.00 90.93           C  
-ATOM   3758  C   ASN B 673      -1.900   6.713  -4.846  1.00 90.93           C  
-ATOM   3759  CB  ASN B 673      -3.683   5.385  -3.684  1.00 90.93           C  
-ATOM   3760  O   ASN B 673      -2.591   6.837  -5.859  1.00 90.93           O  
-ATOM   3761  CG  ASN B 673      -4.017   4.295  -2.685  1.00 90.93           C  
-ATOM   3762  ND2 ASN B 673      -5.262   4.274  -2.225  1.00 90.93           N  
-ATOM   3763  OD1 ASN B 673      -3.163   3.479  -2.329  1.00 90.93           O  
-ATOM   3764  N   ILE B 674      -0.988   7.550  -4.555  1.00 92.99           N  
-ATOM   3765  CA  ILE B 674      -0.699   8.702  -5.402  1.00 92.99           C  
-ATOM   3766  C   ILE B 674       0.709   8.576  -5.980  1.00 92.99           C  
-ATOM   3767  CB  ILE B 674      -0.841  10.027  -4.621  1.00 92.99           C  
-ATOM   3768  O   ILE B 674       1.647   8.203  -5.272  1.00 92.99           O  
-ATOM   3769  CG1 ILE B 674      -2.270  10.182  -4.087  1.00 92.99           C  
-ATOM   3770  CG2 ILE B 674      -0.453  11.218  -5.502  1.00 92.99           C  
-ATOM   3771  CD1 ILE B 674      -2.453  11.360  -3.140  1.00 92.99           C  
-ATOM   3772  N   CYS B 675       0.818   8.839  -7.279  1.00 96.75           N  
-ATOM   3773  CA  CYS B 675       2.125   8.996  -7.909  1.00 96.75           C  
-ATOM   3774  C   CYS B 675       2.506  10.468  -8.015  1.00 96.75           C  
-ATOM   3775  CB  CYS B 675       2.130   8.357  -9.298  1.00 96.75           C  
-ATOM   3776  O   CYS B 675       1.836  11.239  -8.704  1.00 96.75           O  
-ATOM   3777  SG  CYS B 675       3.724   8.465 -10.142  1.00 96.75           S  
-ATOM   3778  N   SER B 676       3.578  10.828  -7.398  1.00 96.88           N  
-ATOM   3779  CA  SER B 676       4.025  12.217  -7.366  1.00 96.88           C  
-ATOM   3780  C   SER B 676       5.243  12.427  -8.259  1.00 96.88           C  
-ATOM   3781  CB  SER B 676       4.354  12.641  -5.934  1.00 96.88           C  
-ATOM   3782  O   SER B 676       6.199  11.651  -8.206  1.00 96.88           O  
-ATOM   3783  OG  SER B 676       3.213  12.525  -5.100  1.00 96.88           O  
-ATOM   3784  N   ILE B 677       5.179  13.490  -9.035  1.00 97.16           N  
-ATOM   3785  CA  ILE B 677       6.264  13.837  -9.946  1.00 97.16           C  
-ATOM   3786  C   ILE B 677       6.945  15.120  -9.474  1.00 97.16           C  
-ATOM   3787  CB  ILE B 677       5.753  14.004 -11.395  1.00 97.16           C  
-ATOM   3788  O   ILE B 677       6.278  16.121  -9.204  1.00 97.16           O  
-ATOM   3789  CG1 ILE B 677       4.917  12.788 -11.810  1.00 97.16           C  
-ATOM   3790  CG2 ILE B 677       6.924  14.218 -12.359  1.00 97.16           C  
-ATOM   3791  CD1 ILE B 677       5.720  11.501 -11.944  1.00 97.16           C  
-ATOM   3792  N   TYR B 678       8.270  15.034  -9.422  1.00 95.76           N  
-ATOM   3793  CA  TYR B 678       9.049  16.178  -8.959  1.00 95.76           C  
-ATOM   3794  C   TYR B 678       9.955  16.704 -10.066  1.00 95.76           C  
-ATOM   3795  CB  TYR B 678       9.886  15.799  -7.734  1.00 95.76           C  
-ATOM   3796  O   TYR B 678      10.596  15.924 -10.774  1.00 95.76           O  
-ATOM   3797  CG  TYR B 678       9.062  15.359  -6.548  1.00 95.76           C  
-ATOM   3798  CD1 TYR B 678       8.725  16.256  -5.538  1.00 95.76           C  
-ATOM   3799  CD2 TYR B 678       8.619  14.045  -6.436  1.00 95.76           C  
-ATOM   3800  CE1 TYR B 678       7.967  15.855  -4.442  1.00 95.76           C  
-ATOM   3801  CE2 TYR B 678       7.861  13.632  -5.345  1.00 95.76           C  
-ATOM   3802  OH  TYR B 678       6.791  14.140  -3.273  1.00 95.76           O  
-ATOM   3803  CZ  TYR B 678       7.541  14.543  -4.355  1.00 95.76           C  
-ATOM   3804  N   ASN B 679      10.000  18.006 -10.112  1.00 93.59           N  
-ATOM   3805  CA  ASN B 679      10.904  18.673 -11.044  1.00 93.59           C  
-ATOM   3806  C   ASN B 679      12.219  19.056 -10.371  1.00 93.59           C  
-ATOM   3807  CB  ASN B 679      10.236  19.910 -11.647  1.00 93.59           C  
-ATOM   3808  O   ASN B 679      12.233  19.861  -9.438  1.00 93.59           O  
-ATOM   3809  CG  ASN B 679      11.019  20.487 -12.810  1.00 93.59           C  
-ATOM   3810  ND2 ASN B 679      10.345  21.263 -13.651  1.00 93.59           N  
-ATOM   3811  OD1 ASN B 679      12.219  20.238 -12.952  1.00 93.59           O  
-ATOM   3812  N   LEU B 680      13.348  18.437 -10.903  1.00 91.02           N  
-ATOM   3813  CA  LEU B 680      14.644  18.644 -10.268  1.00 91.02           C  
-ATOM   3814  C   LEU B 680      15.278  19.949 -10.737  1.00 91.02           C  
-ATOM   3815  CB  LEU B 680      15.582  17.471 -10.568  1.00 91.02           C  
-ATOM   3816  O   LEU B 680      16.139  20.507 -10.053  1.00 91.02           O  
-ATOM   3817  CG  LEU B 680      15.151  16.104 -10.033  1.00 91.02           C  
-ATOM   3818  CD1 LEU B 680      16.128  15.025 -10.487  1.00 91.02           C  
-ATOM   3819  CD2 LEU B 680      15.048  16.134  -8.512  1.00 91.02           C  
-ATOM   3820  N   LYS B 681      14.958  20.475 -11.915  1.00 81.50           N  
-ATOM   3821  CA  LYS B 681      15.555  21.692 -12.457  1.00 81.50           C  
-ATOM   3822  C   LYS B 681      14.524  22.812 -12.558  1.00 81.50           C  
-ATOM   3823  CB  LYS B 681      16.171  21.422 -13.830  1.00 81.50           C  
-ATOM   3824  O   LYS B 681      13.617  22.755 -13.392  1.00 81.50           O  
-ATOM   3825  CG  LYS B 681      17.434  20.574 -13.786  1.00 81.50           C  
-ATOM   3826  CD  LYS B 681      18.120  20.522 -15.145  1.00 81.50           C  
-ATOM   3827  CE  LYS B 681      19.408  19.710 -15.091  1.00 81.50           C  
-ATOM   3828  NZ  LYS B 681      20.082  19.653 -16.422  1.00 81.50           N  
-ATOM   3829  N   THR B 682      14.368  23.602 -11.466  1.00 67.66           N  
-ATOM   3830  CA  THR B 682      13.475  24.751 -11.569  1.00 67.66           C  
-ATOM   3831  C   THR B 682      14.273  26.046 -11.698  1.00 67.66           C  
-ATOM   3832  CB  THR B 682      12.538  24.842 -10.351  1.00 67.66           C  
-ATOM   3833  O   THR B 682      15.480  26.065 -11.445  1.00 67.66           O  
-ATOM   3834  CG2 THR B 682      11.664  23.597 -10.236  1.00 67.66           C  
-ATOM   3835  OG1 THR B 682      13.323  24.973  -9.160  1.00 67.66           O  
-ATOM   3836  N   ARG B 683      13.630  27.069 -12.317  1.00 62.83           N  
-ATOM   3837  CA  ARG B 683      14.253  28.374 -12.508  1.00 62.83           C  
-ATOM   3838  C   ARG B 683      14.801  28.917 -11.192  1.00 62.83           C  
-ATOM   3839  CB  ARG B 683      13.254  29.365 -13.107  1.00 62.83           C  
-ATOM   3840  O   ARG B 683      15.890  29.494 -11.158  1.00 62.83           O  
-ATOM   3841  CG  ARG B 683      13.078  29.229 -14.612  1.00 62.83           C  
-ATOM   3842  CD  ARG B 683      12.196  30.333 -15.179  1.00 62.83           C  
-ATOM   3843  NE  ARG B 683      11.979  30.165 -16.613  1.00 62.83           N  
-ATOM   3844  NH1 ARG B 683      10.739  32.099 -16.860  1.00 62.83           N  
-ATOM   3845  NH2 ARG B 683      11.156  30.760 -18.673  1.00 62.83           N  
-ATOM   3846  CZ  ARG B 683      11.292  31.009 -17.379  1.00 62.83           C  
-ATOM   3847  N   GLU B 684      14.107  28.573 -10.041  1.00 65.25           N  
-ATOM   3848  CA  GLU B 684      14.413  29.114  -8.719  1.00 65.25           C  
-ATOM   3849  C   GLU B 684      15.404  28.224  -7.975  1.00 65.25           C  
-ATOM   3850  CB  GLU B 684      13.133  29.277  -7.896  1.00 65.25           C  
-ATOM   3851  O   GLU B 684      15.943  28.617  -6.939  1.00 65.25           O  
-ATOM   3852  CG  GLU B 684      12.192  30.348  -8.429  1.00 65.25           C  
-ATOM   3853  CD  GLU B 684      10.970  30.565  -7.550  1.00 65.25           C  
-ATOM   3854  OE1 GLU B 684      10.149  31.457  -7.861  1.00 65.25           O  
-ATOM   3855  OE2 GLU B 684      10.833  29.837  -6.541  1.00 65.25           O  
-ATOM   3856  N   GLY B 685      15.719  27.000  -8.604  1.00 68.93           N  
-ATOM   3857  CA  GLY B 685      16.672  26.069  -8.020  1.00 68.93           C  
-ATOM   3858  C   GLY B 685      16.053  25.158  -6.977  1.00 68.93           C  
-ATOM   3859  O   GLY B 685      16.713  24.249  -6.468  1.00 68.93           O  
-ATOM   3860  N   ASN B 686      14.735  25.421  -6.537  1.00 74.79           N  
-ATOM   3861  CA  ASN B 686      14.116  24.541  -5.553  1.00 74.79           C  
-ATOM   3862  C   ASN B 686      13.289  23.446  -6.222  1.00 74.79           C  
-ATOM   3863  CB  ASN B 686      13.246  25.345  -4.584  1.00 74.79           C  
-ATOM   3864  O   ASN B 686      12.747  23.649  -7.309  1.00 74.79           O  
-ATOM   3865  CG  ASN B 686      14.039  26.377  -3.807  1.00 74.79           C  
-ATOM   3866  ND2 ASN B 686      13.361  27.418  -3.339  1.00 74.79           N  
-ATOM   3867  OD1 ASN B 686      15.253  26.240  -3.629  1.00 74.79           O  
-ATOM   3868  N   VAL B 687      13.332  22.238  -5.650  1.00 82.65           N  
-ATOM   3869  CA  VAL B 687      12.543  21.108  -6.129  1.00 82.65           C  
-ATOM   3870  C   VAL B 687      11.086  21.277  -5.702  1.00 82.65           C  
-ATOM   3871  CB  VAL B 687      13.099  19.765  -5.606  1.00 82.65           C  
-ATOM   3872  O   VAL B 687      10.803  21.557  -4.535  1.00 82.65           O  
-ATOM   3873  CG1 VAL B 687      12.252  18.597  -6.109  1.00 82.65           C  
-ATOM   3874  CG2 VAL B 687      14.557  19.592  -6.027  1.00 82.65           C  
-ATOM   3875  N   ARG B 688      10.130  21.315  -6.673  1.00 82.17           N  
-ATOM   3876  CA  ARG B 688       8.701  21.403  -6.390  1.00 82.17           C  
-ATOM   3877  C   ARG B 688       7.947  20.230  -7.006  1.00 82.17           C  
-ATOM   3878  CB  ARG B 688       8.130  22.724  -6.911  1.00 82.17           C  
-ATOM   3879  O   ARG B 688       8.420  19.615  -7.964  1.00 82.17           O  
-ATOM   3880  CG  ARG B 688       8.673  23.953  -6.199  1.00 82.17           C  
-ATOM   3881  CD  ARG B 688       8.003  25.230  -6.688  1.00 82.17           C  
-ATOM   3882  NE  ARG B 688       8.519  26.408  -5.997  1.00 82.17           N  
-ATOM   3883  NH1 ARG B 688       7.240  27.921  -7.186  1.00 82.17           N  
-ATOM   3884  NH2 ARG B 688       8.679  28.657  -5.560  1.00 82.17           N  
-ATOM   3885  CZ  ARG B 688       8.145  27.659  -6.249  1.00 82.17           C  
-ATOM   3886  N   VAL B 689       6.832  19.959  -6.326  1.00 86.73           N  
-ATOM   3887  CA  VAL B 689       5.938  18.965  -6.910  1.00 86.73           C  
-ATOM   3888  C   VAL B 689       5.360  19.495  -8.220  1.00 86.73           C  
-ATOM   3889  CB  VAL B 689       4.797  18.587  -5.939  1.00 86.73           C  
-ATOM   3890  O   VAL B 689       4.693  20.533  -8.237  1.00 86.73           O  
-ATOM   3891  CG1 VAL B 689       3.861  17.562  -6.577  1.00 86.73           C  
-ATOM   3892  CG2 VAL B 689       5.369  18.050  -4.628  1.00 86.73           C  
-ATOM   3893  N   SER B 690       5.649  18.808  -9.291  1.00 89.06           N  
-ATOM   3894  CA  SER B 690       5.154  19.195 -10.608  1.00 89.06           C  
-ATOM   3895  C   SER B 690       3.732  18.692 -10.833  1.00 89.06           C  
-ATOM   3896  CB  SER B 690       6.074  18.659 -11.706  1.00 89.06           C  
-ATOM   3897  O   SER B 690       2.871  19.438 -11.302  1.00 89.06           O  
-ATOM   3898  OG  SER B 690       5.594  19.028 -12.987  1.00 89.06           O  
-ATOM   3899  N   ARG B 691       3.538  17.420 -10.393  1.00 92.90           N  
-ATOM   3900  CA  ARG B 691       2.231  16.810 -10.614  1.00 92.90           C  
-ATOM   3901  C   ARG B 691       1.981  15.679  -9.623  1.00 92.90           C  
-ATOM   3902  CB  ARG B 691       2.118  16.286 -12.047  1.00 92.90           C  
-ATOM   3903  O   ARG B 691       2.907  14.954  -9.253  1.00 92.90           O  
-ATOM   3904  CG  ARG B 691       2.069  17.380 -13.102  1.00 92.90           C  
-ATOM   3905  CD  ARG B 691       0.714  18.075 -13.131  1.00 92.90           C  
-ATOM   3906  NE  ARG B 691       0.599  18.983 -14.269  1.00 92.90           N  
-ATOM   3907  NH1 ARG B 691       0.196  20.865 -12.991  1.00 92.90           N  
-ATOM   3908  NH2 ARG B 691       0.270  21.020 -15.277  1.00 92.90           N  
-ATOM   3909  CZ  ARG B 691       0.355  20.287 -14.177  1.00 92.90           C  
-ATOM   3910  N   GLU B 692       0.600  15.523  -9.380  1.00 94.22           N  
-ATOM   3911  CA  GLU B 692       0.134  14.378  -8.604  1.00 94.22           C  
-ATOM   3912  C   GLU B 692      -0.914  13.579  -9.374  1.00 94.22           C  
-ATOM   3913  CB  GLU B 692      -0.437  14.835  -7.260  1.00 94.22           C  
-ATOM   3914  O   GLU B 692      -1.954  14.118  -9.759  1.00 94.22           O  
-ATOM   3915  CG  GLU B 692       0.610  15.388  -6.303  1.00 94.22           C  
-ATOM   3916  CD  GLU B 692       0.041  15.768  -4.945  1.00 94.22           C  
-ATOM   3917  OE1 GLU B 692       0.828  15.994  -3.999  1.00 94.22           O  
-ATOM   3918  OE2 GLU B 692      -1.203  15.839  -4.827  1.00 94.22           O  
-ATOM   3919  N   LEU B 693      -0.507  12.385  -9.490  1.00 96.09           N  
-ATOM   3920  CA  LEU B 693      -1.392  11.521 -10.265  1.00 96.09           C  
-ATOM   3921  C   LEU B 693      -2.201  10.610  -9.348  1.00 96.09           C  
-ATOM   3922  CB  LEU B 693      -0.586  10.680 -11.258  1.00 96.09           C  
-ATOM   3923  O   LEU B 693      -1.667   9.645  -8.796  1.00 96.09           O  
-ATOM   3924  CG  LEU B 693       0.484  11.421 -12.062  1.00 96.09           C  
-ATOM   3925  CD1 LEU B 693       1.279  10.439 -12.916  1.00 96.09           C  
-ATOM   3926  CD2 LEU B 693      -0.153  12.500 -12.932  1.00 96.09           C  
-ATOM   3927  N   ALA B 694      -3.519  10.957  -9.192  1.00 92.31           N  
-ATOM   3928  CA  ALA B 694      -4.403  10.218  -8.295  1.00 92.31           C  
-ATOM   3929  C   ALA B 694      -5.471   9.460  -9.078  1.00 92.31           C  
-ATOM   3930  CB  ALA B 694      -5.055  11.165  -7.291  1.00 92.31           C  
-ATOM   3931  O   ALA B 694      -6.309  10.070  -9.747  1.00 92.31           O  
-ATOM   3932  N   GLY B 695      -5.388   8.177  -9.172  1.00 91.55           N  
-ATOM   3933  CA  GLY B 695      -6.359   7.399  -9.925  1.00 91.55           C  
-ATOM   3934  C   GLY B 695      -6.410   5.942  -9.506  1.00 91.55           C  
-ATOM   3935  O   GLY B 695      -7.458   5.301  -9.597  1.00 91.55           O  
-ATOM   3936  N   HIS B 696      -5.456   5.471  -8.836  1.00 93.96           N  
-ATOM   3937  CA  HIS B 696      -5.443   4.095  -8.354  1.00 93.96           C  
-ATOM   3938  C   HIS B 696      -6.266   3.950  -7.078  1.00 93.96           C  
-ATOM   3939  CB  HIS B 696      -4.007   3.627  -8.108  1.00 93.96           C  
-ATOM   3940  O   HIS B 696      -6.359   4.890  -6.285  1.00 93.96           O  
-ATOM   3941  CG  HIS B 696      -3.310   3.155  -9.345  1.00 93.96           C  
-ATOM   3942  CD2 HIS B 696      -2.183   3.594  -9.952  1.00 93.96           C  
-ATOM   3943  ND1 HIS B 696      -3.776   2.106 -10.107  1.00 93.96           N  
-ATOM   3944  CE1 HIS B 696      -2.962   1.918 -11.132  1.00 93.96           C  
-ATOM   3945  NE2 HIS B 696      -1.987   2.808 -11.061  1.00 93.96           N  
-ATOM   3946  N   THR B 697      -6.931   2.833  -6.890  1.00 90.74           N  
-ATOM   3947  CA  THR B 697      -7.700   2.556  -5.682  1.00 90.74           C  
-ATOM   3948  C   THR B 697      -6.907   1.668  -4.727  1.00 90.74           C  
-ATOM   3949  CB  THR B 697      -9.044   1.882  -6.018  1.00 90.74           C  
-ATOM   3950  O   THR B 697      -7.455   1.155  -3.749  1.00 90.74           O  
-ATOM   3951  CG2 THR B 697      -9.926   2.801  -6.855  1.00 90.74           C  
-ATOM   3952  OG1 THR B 697      -8.796   0.676  -6.752  1.00 90.74           O  
-ATOM   3953  N   GLY B 698      -5.701   1.318  -5.048  1.00 88.17           N  
-ATOM   3954  CA  GLY B 698      -4.755   0.572  -4.232  1.00 88.17           C  
-ATOM   3955  C   GLY B 698      -3.377   1.204  -4.188  1.00 88.17           C  
-ATOM   3956  O   GLY B 698      -3.130   2.213  -4.851  1.00 88.17           O  
-ATOM   3957  N   TYR B 699      -2.435   0.666  -3.367  1.00 91.95           N  
-ATOM   3958  CA  TYR B 699      -1.102   1.238  -3.215  1.00 91.95           C  
-ATOM   3959  C   TYR B 699      -0.295   1.090  -4.500  1.00 91.95           C  
-ATOM   3960  CB  TYR B 699      -0.360   0.570  -2.053  1.00 91.95           C  
-ATOM   3961  O   TYR B 699      -0.555   0.191  -5.303  1.00 91.95           O  
-ATOM   3962  CG  TYR B 699      -0.205  -0.923  -2.209  1.00 91.95           C  
-ATOM   3963  CD1 TYR B 699      -1.151  -1.800  -1.682  1.00 91.95           C  
-ATOM   3964  CD2 TYR B 699       0.886  -1.461  -2.883  1.00 91.95           C  
-ATOM   3965  CE1 TYR B 699      -1.012  -3.177  -1.822  1.00 91.95           C  
-ATOM   3966  CE2 TYR B 699       1.035  -2.836  -3.029  1.00 91.95           C  
-ATOM   3967  OH  TYR B 699       0.224  -5.047  -2.637  1.00 91.95           O  
-ATOM   3968  CZ  TYR B 699       0.082  -3.685  -2.496  1.00 91.95           C  
-ATOM   3969  N   LEU B 700       0.622   2.021  -4.642  1.00 95.65           N  
-ATOM   3970  CA  LEU B 700       1.531   1.959  -5.781  1.00 95.65           C  
-ATOM   3971  C   LEU B 700       2.760   1.119  -5.450  1.00 95.65           C  
-ATOM   3972  CB  LEU B 700       1.958   3.367  -6.203  1.00 95.65           C  
-ATOM   3973  O   LEU B 700       3.470   1.404  -4.483  1.00 95.65           O  
-ATOM   3974  CG  LEU B 700       1.054   4.077  -7.212  1.00 95.65           C  
-ATOM   3975  CD1 LEU B 700      -0.220   4.564  -6.531  1.00 95.65           C  
-ATOM   3976  CD2 LEU B 700       1.793   5.238  -7.869  1.00 95.65           C  
-ATOM   3977  N   SER B 701       2.926   0.107  -6.260  1.00 96.27           N  
-ATOM   3978  CA  SER B 701       4.026  -0.811  -5.982  1.00 96.27           C  
-ATOM   3979  C   SER B 701       5.254  -0.472  -6.820  1.00 96.27           C  
-ATOM   3980  CB  SER B 701       3.600  -2.255  -6.248  1.00 96.27           C  
-ATOM   3981  O   SER B 701       6.387  -0.712  -6.397  1.00 96.27           O  
-ATOM   3982  OG  SER B 701       3.151  -2.409  -7.583  1.00 96.27           O  
-ATOM   3983  N   CYS B 702       5.162  -0.032  -8.083  1.00 98.09           N  
-ATOM   3984  CA  CYS B 702       6.273   0.297  -8.968  1.00 98.09           C  
-ATOM   3985  C   CYS B 702       5.858   1.338 -10.001  1.00 98.09           C  
-ATOM   3986  CB  CYS B 702       6.787  -0.958  -9.673  1.00 98.09           C  
-ATOM   3987  O   CYS B 702       4.682   1.428 -10.360  1.00 98.09           O  
-ATOM   3988  SG  CYS B 702       8.384  -0.735 -10.485  1.00 98.09           S  
-ATOM   3989  N   CYS B 703       6.831   2.180 -10.443  1.00 98.07           N  
-ATOM   3990  CA  CYS B 703       6.568   3.154 -11.496  1.00 98.07           C  
-ATOM   3991  C   CYS B 703       7.797   3.353 -12.375  1.00 98.07           C  
-ATOM   3992  CB  CYS B 703       6.139   4.492 -10.894  1.00 98.07           C  
-ATOM   3993  O   CYS B 703       8.928   3.322 -11.885  1.00 98.07           O  
-ATOM   3994  SG  CYS B 703       7.413   5.279  -9.886  1.00 98.07           S  
-ATOM   3995  N   ARG B 704       7.556   3.546 -13.708  1.00 98.18           N  
-ATOM   3996  CA  ARG B 704       8.640   3.769 -14.660  1.00 98.18           C  
-ATOM   3997  C   ARG B 704       8.231   4.775 -15.730  1.00 98.18           C  
-ATOM   3998  CB  ARG B 704       9.061   2.451 -15.314  1.00 98.18           C  
-ATOM   3999  O   ARG B 704       7.132   4.692 -16.281  1.00 98.18           O  
-ATOM   4000  CG  ARG B 704       9.683   1.455 -14.348  1.00 98.18           C  
-ATOM   4001  CD  ARG B 704      11.066   1.899 -13.892  1.00 98.18           C  
-ATOM   4002  NE  ARG B 704      11.727   0.870 -13.095  1.00 98.18           N  
-ATOM   4003  NH1 ARG B 704      11.474   1.975 -11.082  1.00 98.18           N  
-ATOM   4004  NH2 ARG B 704      12.521  -0.063 -11.152  1.00 98.18           N  
-ATOM   4005  CZ  ARG B 704      11.906   0.930 -11.778  1.00 98.18           C  
-ATOM   4006  N   PHE B 705       9.151   5.766 -15.991  1.00 98.30           N  
-ATOM   4007  CA  PHE B 705       8.923   6.745 -17.046  1.00 98.30           C  
-ATOM   4008  C   PHE B 705       9.112   6.115 -18.421  1.00 98.30           C  
-ATOM   4009  CB  PHE B 705       9.866   7.942 -16.884  1.00 98.30           C  
-ATOM   4010  O   PHE B 705      10.111   5.435 -18.666  1.00 98.30           O  
-ATOM   4011  CG  PHE B 705       9.471   8.880 -15.776  1.00 98.30           C  
-ATOM   4012  CD1 PHE B 705       8.503   9.855 -15.985  1.00 98.30           C  
-ATOM   4013  CD2 PHE B 705      10.067   8.787 -14.525  1.00 98.30           C  
-ATOM   4014  CE1 PHE B 705       8.135  10.726 -14.961  1.00 98.30           C  
-ATOM   4015  CE2 PHE B 705       9.705   9.654 -13.498  1.00 98.30           C  
-ATOM   4016  CZ  PHE B 705       8.739  10.623 -13.718  1.00 98.30           C  
-ATOM   4017  N   LEU B 706       8.110   6.338 -19.248  1.00 96.78           N  
-ATOM   4018  CA  LEU B 706       8.333   6.058 -20.662  1.00 96.78           C  
-ATOM   4019  C   LEU B 706       9.169   7.157 -21.309  1.00 96.78           C  
-ATOM   4020  CB  LEU B 706       6.998   5.916 -21.398  1.00 96.78           C  
-ATOM   4021  O   LEU B 706      10.085   6.871 -22.084  1.00 96.78           O  
-ATOM   4022  CG  LEU B 706       6.209   4.633 -21.131  1.00 96.78           C  
-ATOM   4023  CD1 LEU B 706       4.840   4.704 -21.798  1.00 96.78           C  
-ATOM   4024  CD2 LEU B 706       6.986   3.416 -21.622  1.00 96.78           C  
-ATOM   4025  N   ASP B 707       8.782   8.318 -21.005  1.00 95.98           N  
-ATOM   4026  CA  ASP B 707       9.449   9.574 -21.335  1.00 95.98           C  
-ATOM   4027  C   ASP B 707       9.109  10.660 -20.317  1.00 95.98           C  
-ATOM   4028  CB  ASP B 707       9.064  10.033 -22.743  1.00 95.98           C  
-ATOM   4029  O   ASP B 707       8.558  10.371 -19.253  1.00 95.98           O  
-ATOM   4030  CG  ASP B 707       7.566  10.210 -22.920  1.00 95.98           C  
-ATOM   4031  OD1 ASP B 707       6.911  10.789 -22.027  1.00 95.98           O  
-ATOM   4032  OD2 ASP B 707       7.036   9.764 -23.960  1.00 95.98           O  
-ATOM   4033  N   ASP B 708       9.393  11.900 -20.645  1.00 95.28           N  
-ATOM   4034  CA  ASP B 708       9.200  12.964 -19.664  1.00 95.28           C  
-ATOM   4035  C   ASP B 708       7.723  13.327 -19.532  1.00 95.28           C  
-ATOM   4036  CB  ASP B 708      10.014  14.201 -20.048  1.00 95.28           C  
-ATOM   4037  O   ASP B 708       7.326  13.999 -18.577  1.00 95.28           O  
-ATOM   4038  CG  ASP B 708      11.494  14.054 -19.746  1.00 95.28           C  
-ATOM   4039  OD1 ASP B 708      11.940  12.936 -19.410  1.00 95.28           O  
-ATOM   4040  OD2 ASP B 708      12.221  15.067 -19.841  1.00 95.28           O  
-ATOM   4041  N   ASN B 709       6.919  12.725 -20.426  1.00 96.95           N  
-ATOM   4042  CA  ASN B 709       5.513  13.114 -20.443  1.00 96.95           C  
-ATOM   4043  C   ASN B 709       4.606  11.960 -20.026  1.00 96.95           C  
-ATOM   4044  CB  ASN B 709       5.115  13.628 -21.829  1.00 96.95           C  
-ATOM   4045  O   ASN B 709       3.432  12.169 -19.716  1.00 96.95           O  
-ATOM   4046  CG  ASN B 709       5.836  14.907 -22.207  1.00 96.95           C  
-ATOM   4047  ND2 ASN B 709       6.164  15.047 -23.486  1.00 96.95           N  
-ATOM   4048  OD1 ASN B 709       6.096  15.762 -21.356  1.00 96.95           O  
-ATOM   4049  N   GLN B 710       5.166  10.805 -20.042  1.00 97.93           N  
-ATOM   4050  CA  GLN B 710       4.351   9.638 -19.721  1.00 97.93           C  
-ATOM   4051  C   GLN B 710       5.051   8.741 -18.704  1.00 97.93           C  
-ATOM   4052  CB  GLN B 710       4.028   8.843 -20.988  1.00 97.93           C  
-ATOM   4053  O   GLN B 710       6.273   8.587 -18.742  1.00 97.93           O  
-ATOM   4054  CG  GLN B 710       3.140   9.590 -21.973  1.00 97.93           C  
-ATOM   4055  CD  GLN B 710       2.804   8.767 -23.202  1.00 97.93           C  
-ATOM   4056  NE2 GLN B 710       1.527   8.738 -23.566  1.00 97.93           N  
-ATOM   4057  OE1 GLN B 710       3.686   8.162 -23.820  1.00 97.93           O  
-ATOM   4058  N   ILE B 711       4.182   8.128 -17.844  1.00 98.45           N  
-ATOM   4059  CA  ILE B 711       4.705   7.215 -16.834  1.00 98.45           C  
-ATOM   4060  C   ILE B 711       3.752   6.035 -16.662  1.00 98.45           C  
-ATOM   4061  CB  ILE B 711       4.920   7.932 -15.482  1.00 98.45           C  
-ATOM   4062  O   ILE B 711       2.534   6.191 -16.777  1.00 98.45           O  
-ATOM   4063  CG1 ILE B 711       5.693   7.028 -14.515  1.00 98.45           C  
-ATOM   4064  CG2 ILE B 711       3.579   8.359 -14.878  1.00 98.45           C  
-ATOM   4065  CD1 ILE B 711       6.205   7.744 -13.273  1.00 98.45           C  
-ATOM   4066  N   VAL B 712       4.348   4.856 -16.405  1.00 98.40           N  
-ATOM   4067  CA  VAL B 712       3.568   3.651 -16.140  1.00 98.40           C  
-ATOM   4068  C   VAL B 712       3.658   3.292 -14.659  1.00 98.40           C  
-ATOM   4069  CB  VAL B 712       4.044   2.464 -17.007  1.00 98.40           C  
-ATOM   4070  O   VAL B 712       4.743   3.316 -14.073  1.00 98.40           O  
-ATOM   4071  CG1 VAL B 712       3.210   1.217 -16.720  1.00 98.40           C  
-ATOM   4072  CG2 VAL B 712       3.977   2.826 -18.489  1.00 98.40           C  
-ATOM   4073  N   THR B 713       2.460   2.948 -14.085  1.00 98.60           N  
-ATOM   4074  CA  THR B 713       2.424   2.602 -12.668  1.00 98.60           C  
-ATOM   4075  C   THR B 713       1.770   1.238 -12.461  1.00 98.60           C  
-ATOM   4076  CB  THR B 713       1.667   3.666 -11.852  1.00 98.60           C  
-ATOM   4077  O   THR B 713       0.926   0.822 -13.257  1.00 98.60           O  
-ATOM   4078  CG2 THR B 713       2.336   5.031 -11.974  1.00 98.60           C  
-ATOM   4079  OG1 THR B 713       0.321   3.762 -12.335  1.00 98.60           O  
-ATOM   4080  N   SER B 714       2.221   0.522 -11.412  1.00 98.09           N  
-ATOM   4081  CA  SER B 714       1.581  -0.709 -10.959  1.00 98.09           C  
-ATOM   4082  C   SER B 714       1.000  -0.547  -9.559  1.00 98.09           C  
-ATOM   4083  CB  SER B 714       2.578  -1.869 -10.975  1.00 98.09           C  
-ATOM   4084  O   SER B 714       1.564   0.165  -8.725  1.00 98.09           O  
-ATOM   4085  OG  SER B 714       3.634  -1.638 -10.058  1.00 98.09           O  
-ATOM   4086  N   SER B 715      -0.142  -1.260  -9.302  1.00 97.58           N  
-ATOM   4087  CA  SER B 715      -0.872  -0.954  -8.076  1.00 97.58           C  
-ATOM   4088  C   SER B 715      -1.420  -2.221  -7.428  1.00 97.58           C  
-ATOM   4089  CB  SER B 715      -2.016   0.019  -8.361  1.00 97.58           C  
-ATOM   4090  O   SER B 715      -1.491  -3.272  -8.069  1.00 97.58           O  
-ATOM   4091  OG  SER B 715      -2.819   0.204  -7.208  1.00 97.58           O  
-ATOM   4092  N   GLY B 716      -1.727  -2.027  -6.152  1.00 94.12           N  
-ATOM   4093  CA  GLY B 716      -2.370  -3.082  -5.386  1.00 94.12           C  
-ATOM   4094  C   GLY B 716      -3.834  -3.268  -5.738  1.00 94.12           C  
-ATOM   4095  O   GLY B 716      -4.515  -4.116  -5.158  1.00 94.12           O  
-ATOM   4096  N   ASP B 717      -4.315  -2.548  -6.570  1.00 94.50           N  
-ATOM   4097  CA  ASP B 717      -5.693  -2.691  -7.030  1.00 94.50           C  
-ATOM   4098  C   ASP B 717      -5.783  -3.666  -8.202  1.00 94.50           C  
-ATOM   4099  CB  ASP B 717      -6.270  -1.332  -7.430  1.00 94.50           C  
-ATOM   4100  O   ASP B 717      -6.791  -3.703  -8.910  1.00 94.50           O  
-ATOM   4101  CG  ASP B 717      -5.561  -0.716  -8.624  1.00 94.50           C  
-ATOM   4102  OD1 ASP B 717      -4.740  -1.404  -9.268  1.00 94.50           O  
-ATOM   4103  OD2 ASP B 717      -5.824   0.469  -8.921  1.00 94.50           O  
-ATOM   4104  N   THR B 718      -4.736  -4.317  -8.462  1.00 96.42           N  
-ATOM   4105  CA  THR B 718      -4.603  -5.404  -9.426  1.00 96.42           C  
-ATOM   4106  C   THR B 718      -4.464  -4.856 -10.843  1.00 96.42           C  
-ATOM   4107  CB  THR B 718      -5.807  -6.362  -9.358  1.00 96.42           C  
-ATOM   4108  O   THR B 718      -4.628  -5.593 -11.818  1.00 96.42           O  
-ATOM   4109  CG2 THR B 718      -6.012  -6.888  -7.941  1.00 96.42           C  
-ATOM   4110  OG1 THR B 718      -6.988  -5.665  -9.773  1.00 96.42           O  
-ATOM   4111  N   THR B 719      -4.229  -3.573 -11.014  1.00 97.31           N  
-ATOM   4112  CA  THR B 719      -4.139  -2.971 -12.340  1.00 97.31           C  
-ATOM   4113  C   THR B 719      -2.805  -2.252 -12.518  1.00 97.31           C  
-ATOM   4114  CB  THR B 719      -5.295  -1.983 -12.584  1.00 97.31           C  
-ATOM   4115  O   THR B 719      -2.109  -1.972 -11.540  1.00 97.31           O  
-ATOM   4116  CG2 THR B 719      -6.646  -2.645 -12.335  1.00 97.31           C  
-ATOM   4117  OG1 THR B 719      -5.153  -0.864 -11.701  1.00 97.31           O  
-ATOM   4118  N   CYS B 720      -2.388  -2.047 -13.743  1.00 98.29           N  
-ATOM   4119  CA  CYS B 720      -1.376  -1.086 -14.167  1.00 98.29           C  
-ATOM   4120  C   CYS B 720      -2.007   0.071 -14.932  1.00 98.29           C  
-ATOM   4121  CB  CYS B 720      -0.321  -1.769 -15.037  1.00 98.29           C  
-ATOM   4122  O   CYS B 720      -3.107  -0.063 -15.471  1.00 98.29           O  
-ATOM   4123  SG  CYS B 720       0.521  -3.141 -14.219  1.00 98.29           S  
-ATOM   4124  N   ALA B 721      -1.295   1.196 -14.907  1.00 97.97           N  
-ATOM   4125  CA  ALA B 721      -1.879   2.351 -15.583  1.00 97.97           C  
-ATOM   4126  C   ALA B 721      -0.807   3.167 -16.300  1.00 97.97           C  
-ATOM   4127  CB  ALA B 721      -2.631   3.227 -14.585  1.00 97.97           C  
-ATOM   4128  O   ALA B 721       0.309   3.318 -15.795  1.00 97.97           O  
-ATOM   4129  N   LEU B 722      -1.164   3.591 -17.500  1.00 98.11           N  
-ATOM   4130  CA  LEU B 722      -0.377   4.580 -18.229  1.00 98.11           C  
-ATOM   4131  C   LEU B 722      -0.923   5.985 -18.000  1.00 98.11           C  
-ATOM   4132  CB  LEU B 722      -0.369   4.260 -19.726  1.00 98.11           C  
-ATOM   4133  O   LEU B 722      -2.112   6.235 -18.209  1.00 98.11           O  
-ATOM   4134  CG  LEU B 722       0.435   5.207 -20.618  1.00 98.11           C  
-ATOM   4135  CD1 LEU B 722       1.919   5.123 -20.278  1.00 98.11           C  
-ATOM   4136  CD2 LEU B 722       0.199   4.887 -22.090  1.00 98.11           C  
-ATOM   4137  N   TRP B 723       0.053   6.874 -17.614  1.00 98.08           N  
-ATOM   4138  CA  TRP B 723      -0.376   8.218 -17.241  1.00 98.08           C  
-ATOM   4139  C   TRP B 723       0.190   9.257 -18.204  1.00 98.08           C  
-ATOM   4140  CB  TRP B 723       0.057   8.543 -15.808  1.00 98.08           C  
-ATOM   4141  O   TRP B 723       1.338   9.148 -18.639  1.00 98.08           O  
-ATOM   4142  CG  TRP B 723      -0.485   7.596 -14.779  1.00 98.08           C  
-ATOM   4143  CD1 TRP B 723       0.001   6.358 -14.463  1.00 98.08           C  
-ATOM   4144  CD2 TRP B 723      -1.619   7.810 -13.935  1.00 98.08           C  
-ATOM   4145  CE2 TRP B 723      -1.764   6.659 -13.129  1.00 98.08           C  
-ATOM   4146  CE3 TRP B 723      -2.529   8.865 -13.780  1.00 98.08           C  
-ATOM   4147  NE1 TRP B 723      -0.764   5.789 -13.471  1.00 98.08           N  
-ATOM   4148  CH2 TRP B 723      -3.659   7.580 -12.051  1.00 98.08           C  
-ATOM   4149  CZ2 TRP B 723      -2.783   6.533 -12.182  1.00 98.08           C  
-ATOM   4150  CZ3 TRP B 723      -3.542   8.738 -12.837  1.00 98.08           C  
-ATOM   4151  N   ASP B 724      -0.670  10.184 -18.528  1.00 97.28           N  
-ATOM   4152  CA  ASP B 724      -0.212  11.452 -19.088  1.00 97.28           C  
-ATOM   4153  C   ASP B 724       0.088  12.463 -17.983  1.00 97.28           C  
-ATOM   4154  CB  ASP B 724      -1.254  12.021 -20.053  1.00 97.28           C  
-ATOM   4155  O   ASP B 724      -0.824  12.933 -17.300  1.00 97.28           O  
-ATOM   4156  CG  ASP B 724      -0.777  13.271 -20.771  1.00 97.28           C  
-ATOM   4157  OD1 ASP B 724      -0.621  14.327 -20.121  1.00 97.28           O  
-ATOM   4158  OD2 ASP B 724      -0.557  13.200 -22.000  1.00 97.28           O  
-ATOM   4159  N   ILE B 725       1.370  12.790 -17.907  1.00 97.13           N  
-ATOM   4160  CA  ILE B 725       1.829  13.562 -16.757  1.00 97.13           C  
-ATOM   4161  C   ILE B 725       1.274  14.982 -16.834  1.00 97.13           C  
-ATOM   4162  CB  ILE B 725       3.372  13.594 -16.678  1.00 97.13           C  
-ATOM   4163  O   ILE B 725       0.864  15.551 -15.819  1.00 97.13           O  
-ATOM   4164  CG1 ILE B 725       3.922  12.188 -16.410  1.00 97.13           C  
-ATOM   4165  CG2 ILE B 725       3.837  14.578 -15.601  1.00 97.13           C  
-ATOM   4166  CD1 ILE B 725       5.438  12.089 -16.500  1.00 97.13           C  
-ATOM   4167  N   GLU B 726       1.143  15.499 -18.032  1.00 94.24           N  
-ATOM   4168  CA  GLU B 726       0.658  16.863 -18.222  1.00 94.24           C  
-ATOM   4169  C   GLU B 726      -0.800  16.996 -17.789  1.00 94.24           C  
-ATOM   4170  CB  GLU B 726       0.813  17.290 -19.684  1.00 94.24           C  
-ATOM   4171  O   GLU B 726      -1.149  17.909 -17.037  1.00 94.24           O  
-ATOM   4172  CG  GLU B 726       0.447  18.744 -19.942  1.00 94.24           C  
-ATOM   4173  CD  GLU B 726       0.816  19.218 -21.339  1.00 94.24           C  
-ATOM   4174  OE1 GLU B 726       0.649  20.422 -21.636  1.00 94.24           O  
-ATOM   4175  OE2 GLU B 726       1.276  18.377 -22.143  1.00 94.24           O  
-ATOM   4176  N   THR B 727      -1.639  16.096 -18.192  1.00 95.41           N  
-ATOM   4177  CA  THR B 727      -3.068  16.189 -17.915  1.00 95.41           C  
-ATOM   4178  C   THR B 727      -3.403  15.536 -16.577  1.00 95.41           C  
-ATOM   4179  CB  THR B 727      -3.897  15.529 -19.033  1.00 95.41           C  
-ATOM   4180  O   THR B 727      -4.462  15.797 -16.002  1.00 95.41           O  
-ATOM   4181  CG2 THR B 727      -3.577  16.145 -20.391  1.00 95.41           C  
-ATOM   4182  OG1 THR B 727      -3.604  14.128 -19.075  1.00 95.41           O  
-ATOM   4183  N   GLY B 728      -2.535  14.667 -16.015  1.00 94.28           N  
-ATOM   4184  CA  GLY B 728      -2.754  13.963 -14.762  1.00 94.28           C  
-ATOM   4185  C   GLY B 728      -3.763  12.836 -14.880  1.00 94.28           C  
-ATOM   4186  O   GLY B 728      -4.256  12.330 -13.870  1.00 94.28           O  
-ATOM   4187  N   GLN B 729      -4.058  12.409 -16.123  1.00 94.39           N  
-ATOM   4188  CA  GLN B 729      -5.094  11.408 -16.355  1.00 94.39           C  
-ATOM   4189  C   GLN B 729      -4.484  10.071 -16.768  1.00 94.39           C  
-ATOM   4190  CB  GLN B 729      -6.076  11.889 -17.424  1.00 94.39           C  
-ATOM   4191  O   GLN B 729      -3.442  10.035 -17.427  1.00 94.39           O  
-ATOM   4192  CG  GLN B 729      -6.932  13.070 -16.986  1.00 94.39           C  
-ATOM   4193  CD  GLN B 729      -8.055  13.375 -17.960  1.00 94.39           C  
-ATOM   4194  NE2 GLN B 729      -8.960  14.263 -17.562  1.00 94.39           N  
-ATOM   4195  OE1 GLN B 729      -8.108  12.817 -19.061  1.00 94.39           O  
-ATOM   4196  N   GLN B 730      -5.291   9.011 -16.376  1.00 95.08           N  
-ATOM   4197  CA  GLN B 730      -4.924   7.694 -16.883  1.00 95.08           C  
-ATOM   4198  C   GLN B 730      -5.314   7.541 -18.351  1.00 95.08           C  
-ATOM   4199  CB  GLN B 730      -5.581   6.594 -16.048  1.00 95.08           C  
-ATOM   4200  O   GLN B 730      -6.498   7.584 -18.691  1.00 95.08           O  
-ATOM   4201  CG  GLN B 730      -5.120   6.565 -14.597  1.00 95.08           C  
-ATOM   4202  CD  GLN B 730      -5.818   5.493 -13.781  1.00 95.08           C  
-ATOM   4203  NE2 GLN B 730      -5.189   5.078 -12.687  1.00 95.08           N  
-ATOM   4204  OE1 GLN B 730      -6.914   5.044 -14.130  1.00 95.08           O  
-ATOM   4205  N   THR B 731      -4.344   7.403 -19.193  1.00 95.29           N  
-ATOM   4206  CA  THR B 731      -4.652   7.240 -20.609  1.00 95.29           C  
-ATOM   4207  C   THR B 731      -5.098   5.810 -20.904  1.00 95.29           C  
-ATOM   4208  CB  THR B 731      -3.440   7.595 -21.489  1.00 95.29           C  
-ATOM   4209  O   THR B 731      -6.035   5.593 -21.675  1.00 95.29           O  
-ATOM   4210  CG2 THR B 731      -3.111   9.081 -21.399  1.00 95.29           C  
-ATOM   4211  OG1 THR B 731      -2.303   6.838 -21.055  1.00 95.29           O  
-ATOM   4212  N   THR B 732      -4.452   4.902 -20.272  1.00 96.06           N  
-ATOM   4213  CA  THR B 732      -4.784   3.492 -20.441  1.00 96.06           C  
-ATOM   4214  C   THR B 732      -4.727   2.759 -19.103  1.00 96.06           C  
-ATOM   4215  CB  THR B 732      -3.835   2.811 -21.444  1.00 96.06           C  
-ATOM   4216  O   THR B 732      -3.797   2.960 -18.319  1.00 96.06           O  
-ATOM   4217  CG2 THR B 732      -4.296   1.391 -21.760  1.00 96.06           C  
-ATOM   4218  OG1 THR B 732      -3.805   3.572 -22.657  1.00 96.06           O  
-ATOM   4219  N   THR B 733      -5.742   1.962 -18.826  1.00 96.49           N  
-ATOM   4220  CA  THR B 733      -5.720   1.059 -17.679  1.00 96.49           C  
-ATOM   4221  C   THR B 733      -5.560  -0.388 -18.134  1.00 96.49           C  
-ATOM   4222  CB  THR B 733      -7.002   1.197 -16.836  1.00 96.49           C  
-ATOM   4223  O   THR B 733      -6.325  -0.870 -18.973  1.00 96.49           O  
-ATOM   4224  CG2 THR B 733      -6.951   0.295 -15.608  1.00 96.49           C  
-ATOM   4225  OG1 THR B 733      -7.143   2.558 -16.411  1.00 96.49           O  
-ATOM   4226  N   PHE B 734      -4.527  -1.041 -17.588  1.00 97.70           N  
-ATOM   4227  CA  PHE B 734      -4.230  -2.423 -17.947  1.00 97.70           C  
-ATOM   4228  C   PHE B 734      -4.793  -3.385 -16.908  1.00 97.70           C  
-ATOM   4229  CB  PHE B 734      -2.719  -2.629 -18.090  1.00 97.70           C  
-ATOM   4230  O   PHE B 734      -4.285  -3.464 -15.788  1.00 97.70           O  
-ATOM   4231  CG  PHE B 734      -2.063  -1.667 -19.043  1.00 97.70           C  
-ATOM   4232  CD1 PHE B 734      -1.971  -1.963 -20.398  1.00 97.70           C  
-ATOM   4233  CD2 PHE B 734      -1.537  -0.467 -18.584  1.00 97.70           C  
-ATOM   4234  CE1 PHE B 734      -1.364  -1.074 -21.282  1.00 97.70           C  
-ATOM   4235  CE2 PHE B 734      -0.928   0.426 -19.461  1.00 97.70           C  
-ATOM   4236  CZ  PHE B 734      -0.842   0.120 -20.810  1.00 97.70           C  
-ATOM   4237  N   THR B 735      -5.875  -4.190 -17.354  1.00 95.55           N  
-ATOM   4238  CA  THR B 735      -6.571  -5.111 -16.461  1.00 95.55           C  
-ATOM   4239  C   THR B 735      -6.339  -6.557 -16.888  1.00 95.55           C  
-ATOM   4240  CB  THR B 735      -8.083  -4.819 -16.426  1.00 95.55           C  
-ATOM   4241  O   THR B 735      -6.419  -6.880 -18.075  1.00 95.55           O  
-ATOM   4242  CG2 THR B 735      -8.362  -3.430 -15.862  1.00 95.55           C  
-ATOM   4243  OG1 THR B 735      -8.610  -4.899 -17.756  1.00 95.55           O  
-ATOM   4244  N   GLY B 736      -5.884  -7.359 -16.004  1.00 93.29           N  
-ATOM   4245  CA  GLY B 736      -5.637  -8.757 -16.319  1.00 93.29           C  
-ATOM   4246  C   GLY B 736      -5.117  -9.552 -15.137  1.00 93.29           C  
-ATOM   4247  O   GLY B 736      -5.428 -10.736 -14.993  1.00 93.29           O  
-ATOM   4248  N   HIS B 737      -4.528  -8.957 -14.188  1.00 97.17           N  
-ATOM   4249  CA  HIS B 737      -4.025  -9.638 -13.000  1.00 97.17           C  
-ATOM   4250  C   HIS B 737      -5.144  -9.888 -11.994  1.00 97.17           C  
-ATOM   4251  CB  HIS B 737      -2.906  -8.824 -12.349  1.00 97.17           C  
-ATOM   4252  O   HIS B 737      -6.101  -9.115 -11.919  1.00 97.17           O  
-ATOM   4253  CG  HIS B 737      -1.571  -9.015 -12.997  1.00 97.17           C  
-ATOM   4254  CD2 HIS B 737      -0.768  -8.143 -13.650  1.00 97.17           C  
-ATOM   4255  ND1 HIS B 737      -0.920 -10.229 -13.017  1.00 97.17           N  
-ATOM   4256  CE1 HIS B 737       0.230 -10.095 -13.656  1.00 97.17           C  
-ATOM   4257  NE2 HIS B 737       0.346  -8.838 -14.051  1.00 97.17           N  
-ATOM   4258  N   THR B 738      -5.084 -10.964 -11.269  1.00 94.78           N  
-ATOM   4259  CA  THR B 738      -6.074 -11.291 -10.249  1.00 94.78           C  
-ATOM   4260  C   THR B 738      -5.501 -11.077  -8.851  1.00 94.78           C  
-ATOM   4261  CB  THR B 738      -6.563 -12.744 -10.390  1.00 94.78           C  
-ATOM   4262  O   THR B 738      -6.144 -11.410  -7.853  1.00 94.78           O  
-ATOM   4263  CG2 THR B 738      -7.303 -12.950 -11.708  1.00 94.78           C  
-ATOM   4264  OG1 THR B 738      -5.435 -13.627 -10.345  1.00 94.78           O  
-ATOM   4265  N   GLY B 739      -4.266 -10.648  -8.723  1.00 92.67           N  
-ATOM   4266  CA  GLY B 739      -3.590 -10.272  -7.492  1.00 92.67           C  
-ATOM   4267  C   GLY B 739      -2.887  -8.930  -7.583  1.00 92.67           C  
-ATOM   4268  O   GLY B 739      -2.845  -8.317  -8.651  1.00 92.67           O  
-ATOM   4269  N   ASP B 740      -2.338  -8.416  -6.473  1.00 97.19           N  
-ATOM   4270  CA  ASP B 740      -1.611  -7.150  -6.446  1.00 97.19           C  
-ATOM   4271  C   ASP B 740      -0.447  -7.164  -7.434  1.00 97.19           C  
-ATOM   4272  CB  ASP B 740      -1.099  -6.856  -5.034  1.00 97.19           C  
-ATOM   4273  O   ASP B 740       0.349  -8.105  -7.451  1.00 97.19           O  
-ATOM   4274  CG  ASP B 740      -2.218  -6.615  -4.036  1.00 97.19           C  
-ATOM   4275  OD1 ASP B 740      -3.403  -6.783  -4.396  1.00 97.19           O  
-ATOM   4276  OD2 ASP B 740      -1.912  -6.251  -2.880  1.00 97.19           O  
-ATOM   4277  N   VAL B 741      -0.422  -6.168  -8.263  1.00 98.26           N  
-ATOM   4278  CA  VAL B 741       0.730  -6.030  -9.148  1.00 98.26           C  
-ATOM   4279  C   VAL B 741       1.913  -5.457  -8.372  1.00 98.26           C  
-ATOM   4280  CB  VAL B 741       0.407  -5.134 -10.365  1.00 98.26           C  
-ATOM   4281  O   VAL B 741       1.849  -4.332  -7.872  1.00 98.26           O  
-ATOM   4282  CG1 VAL B 741       1.582  -5.103 -11.340  1.00 98.26           C  
-ATOM   4283  CG2 VAL B 741      -0.860  -5.622 -11.065  1.00 98.26           C  
-ATOM   4284  N   MET B 742       2.990  -6.213  -8.320  1.00 96.62           N  
-ATOM   4285  CA  MET B 742       4.068  -5.908  -7.384  1.00 96.62           C  
-ATOM   4286  C   MET B 742       5.212  -5.186  -8.088  1.00 96.62           C  
-ATOM   4287  CB  MET B 742       4.585  -7.187  -6.722  1.00 96.62           C  
-ATOM   4288  O   MET B 742       5.968  -4.446  -7.455  1.00 96.62           O  
-ATOM   4289  CG  MET B 742       3.553  -7.886  -5.851  1.00 96.62           C  
-ATOM   4290  SD  MET B 742       2.909  -6.802  -4.517  1.00 96.62           S  
-ATOM   4291  CE  MET B 742       4.395  -6.647  -3.487  1.00 96.62           C  
-ATOM   4292  N   SER B 743       5.441  -5.446  -9.369  1.00 96.79           N  
-ATOM   4293  CA  SER B 743       6.583  -4.869 -10.069  1.00 96.79           C  
-ATOM   4294  C   SER B 743       6.325  -4.778 -11.569  1.00 96.79           C  
-ATOM   4295  CB  SER B 743       7.844  -5.694  -9.809  1.00 96.79           C  
-ATOM   4296  O   SER B 743       5.479  -5.498 -12.103  1.00 96.79           O  
-ATOM   4297  OG  SER B 743       7.699  -7.008 -10.320  1.00 96.79           O  
-ATOM   4298  N   LEU B 744       6.906  -3.854 -12.215  1.00 97.47           N  
-ATOM   4299  CA  LEU B 744       6.865  -3.759 -13.670  1.00 97.47           C  
-ATOM   4300  C   LEU B 744       8.233  -3.383 -14.229  1.00 97.47           C  
-ATOM   4301  CB  LEU B 744       5.820  -2.731 -14.111  1.00 97.47           C  
-ATOM   4302  O   LEU B 744       9.062  -2.810 -13.518  1.00 97.47           O  
-ATOM   4303  CG  LEU B 744       6.028  -1.298 -13.617  1.00 97.47           C  
-ATOM   4304  CD1 LEU B 744       6.998  -0.558 -14.531  1.00 97.47           C  
-ATOM   4305  CD2 LEU B 744       4.696  -0.562 -13.534  1.00 97.47           C  
-ATOM   4306  N   SER B 745       8.536  -3.791 -15.473  1.00 98.18           N  
-ATOM   4307  CA  SER B 745       9.759  -3.459 -16.197  1.00 98.18           C  
-ATOM   4308  C   SER B 745       9.462  -3.102 -17.649  1.00 98.18           C  
-ATOM   4309  CB  SER B 745      10.748  -4.623 -16.142  1.00 98.18           C  
-ATOM   4310  O   SER B 745       8.690  -3.792 -18.319  1.00 98.18           O  
-ATOM   4311  OG  SER B 745      11.956  -4.290 -16.805  1.00 98.18           O  
-ATOM   4312  N   LEU B 746      10.093  -1.998 -18.085  1.00 97.67           N  
-ATOM   4313  CA  LEU B 746       9.911  -1.558 -19.463  1.00 97.67           C  
-ATOM   4314  C   LEU B 746      10.907  -2.248 -20.390  1.00 97.67           C  
-ATOM   4315  CB  LEU B 746      10.069  -0.039 -19.567  1.00 97.67           C  
-ATOM   4316  O   LEU B 746      12.077  -2.414 -20.038  1.00 97.67           O  
-ATOM   4317  CG  LEU B 746       9.041   0.802 -18.809  1.00 97.67           C  
-ATOM   4318  CD1 LEU B 746       9.402   2.282 -18.891  1.00 97.67           C  
-ATOM   4319  CD2 LEU B 746       7.640   0.557 -19.358  1.00 97.67           C  
-ATOM   4320  N   ALA B 747      10.415  -2.630 -21.532  1.00 96.35           N  
-ATOM   4321  CA  ALA B 747      11.327  -3.083 -22.579  1.00 96.35           C  
-ATOM   4322  C   ALA B 747      12.220  -1.943 -23.060  1.00 96.35           C  
-ATOM   4323  CB  ALA B 747      10.542  -3.670 -23.750  1.00 96.35           C  
-ATOM   4324  O   ALA B 747      11.838  -0.773 -22.985  1.00 96.35           O  
-ATOM   4325  N   PRO B 748      13.389  -2.286 -23.590  1.00 94.00           N  
-ATOM   4326  CA  PRO B 748      14.322  -1.253 -24.046  1.00 94.00           C  
-ATOM   4327  C   PRO B 748      13.702  -0.312 -25.076  1.00 94.00           C  
-ATOM   4328  CB  PRO B 748      15.467  -2.060 -24.663  1.00 94.00           C  
-ATOM   4329  O   PRO B 748      13.988   0.888 -25.072  1.00 94.00           O  
-ATOM   4330  CG  PRO B 748      15.447  -3.367 -23.938  1.00 94.00           C  
-ATOM   4331  CD  PRO B 748      14.022  -3.710 -23.612  1.00 94.00           C  
-ATOM   4332  N   ASP B 749      12.851  -0.745 -25.894  1.00 92.05           N  
-ATOM   4333  CA  ASP B 749      12.239   0.090 -26.922  1.00 92.05           C  
-ATOM   4334  C   ASP B 749      11.045   0.862 -26.365  1.00 92.05           C  
-ATOM   4335  CB  ASP B 749      11.804  -0.761 -28.117  1.00 92.05           C  
-ATOM   4336  O   ASP B 749      10.408   1.635 -27.083  1.00 92.05           O  
-ATOM   4337  CG  ASP B 749      10.775  -1.816 -27.749  1.00 92.05           C  
-ATOM   4338  OD1 ASP B 749      10.337  -1.859 -26.580  1.00 92.05           O  
-ATOM   4339  OD2 ASP B 749      10.402  -2.614 -28.637  1.00 92.05           O  
-ATOM   4340  N   THR B 750      10.579   0.538 -25.100  1.00 93.29           N  
-ATOM   4341  CA  THR B 750       9.554   1.236 -24.332  1.00 93.29           C  
-ATOM   4342  C   THR B 750       8.176   1.030 -24.956  1.00 93.29           C  
-ATOM   4343  CB  THR B 750       9.856   2.743 -24.237  1.00 93.29           C  
-ATOM   4344  O   THR B 750       7.230   1.752 -24.636  1.00 93.29           O  
-ATOM   4345  CG2 THR B 750      11.199   2.992 -23.556  1.00 93.29           C  
-ATOM   4346  OG1 THR B 750       9.891   3.302 -25.555  1.00 93.29           O  
-ATOM   4347  N   ARG B 751       8.081   0.052 -25.839  1.00 92.28           N  
-ATOM   4348  CA  ARG B 751       6.799  -0.264 -26.459  1.00 92.28           C  
-ATOM   4349  C   ARG B 751       6.046  -1.319 -25.655  1.00 92.28           C  
-ATOM   4350  CB  ARG B 751       7.002  -0.748 -27.897  1.00 92.28           C  
-ATOM   4351  O   ARG B 751       4.818  -1.404 -25.729  1.00 92.28           O  
-ATOM   4352  CG  ARG B 751       7.532   0.321 -28.838  1.00 92.28           C  
-ATOM   4353  CD  ARG B 751       7.641  -0.189 -30.268  1.00 92.28           C  
-ATOM   4354  NE  ARG B 751       8.248   0.803 -31.150  1.00 92.28           N  
-ATOM   4355  NH1 ARG B 751       7.875  -0.391 -33.092  1.00 92.28           N  
-ATOM   4356  NH2 ARG B 751       8.917   1.649 -33.178  1.00 92.28           N  
-ATOM   4357  CZ  ARG B 751       8.346   0.685 -32.471  1.00 92.28           C  
-ATOM   4358  N   LEU B 752       6.821  -2.107 -24.993  1.00 96.09           N  
-ATOM   4359  CA  LEU B 752       6.281  -3.187 -24.175  1.00 96.09           C  
-ATOM   4360  C   LEU B 752       6.679  -3.014 -22.713  1.00 96.09           C  
-ATOM   4361  CB  LEU B 752       6.767  -4.545 -24.690  1.00 96.09           C  
-ATOM   4362  O   LEU B 752       7.686  -2.367 -22.412  1.00 96.09           O  
-ATOM   4363  CG  LEU B 752       6.463  -4.862 -26.155  1.00 96.09           C  
-ATOM   4364  CD1 LEU B 752       7.171  -6.144 -26.578  1.00 96.09           C  
-ATOM   4365  CD2 LEU B 752       4.959  -4.978 -26.376  1.00 96.09           C  
-ATOM   4366  N   PHE B 753       5.834  -3.539 -21.869  1.00 97.92           N  
-ATOM   4367  CA  PHE B 753       6.279  -3.716 -20.492  1.00 97.92           C  
-ATOM   4368  C   PHE B 753       5.736  -5.015 -19.910  1.00 97.92           C  
-ATOM   4369  CB  PHE B 753       5.840  -2.530 -19.628  1.00 97.92           C  
-ATOM   4370  O   PHE B 753       4.767  -5.576 -20.426  1.00 97.92           O  
-ATOM   4371  CG  PHE B 753       4.372  -2.528 -19.299  1.00 97.92           C  
-ATOM   4372  CD1 PHE B 753       3.452  -1.950 -20.165  1.00 97.92           C  
-ATOM   4373  CD2 PHE B 753       3.911  -3.106 -18.123  1.00 97.92           C  
-ATOM   4374  CE1 PHE B 753       2.092  -1.947 -19.864  1.00 97.92           C  
-ATOM   4375  CE2 PHE B 753       2.553  -3.107 -17.815  1.00 97.92           C  
-ATOM   4376  CZ  PHE B 753       1.646  -2.527 -18.686  1.00 97.92           C  
-ATOM   4377  N   VAL B 754       6.478  -5.470 -18.918  1.00 98.54           N  
-ATOM   4378  CA  VAL B 754       6.069  -6.696 -18.240  1.00 98.54           C  
-ATOM   4379  C   VAL B 754       5.770  -6.400 -16.772  1.00 98.54           C  
-ATOM   4380  CB  VAL B 754       7.151  -7.794 -18.353  1.00 98.54           C  
-ATOM   4381  O   VAL B 754       6.426  -5.557 -16.156  1.00 98.54           O  
-ATOM   4382  CG1 VAL B 754       6.747  -9.033 -17.556  1.00 98.54           C  
-ATOM   4383  CG2 VAL B 754       7.395  -8.153 -19.818  1.00 98.54           C  
-ATOM   4384  N   SER B 755       4.703  -7.122 -16.300  1.00 98.58           N  
-ATOM   4385  CA  SER B 755       4.327  -6.951 -14.900  1.00 98.58           C  
-ATOM   4386  C   SER B 755       4.340  -8.284 -14.158  1.00 98.58           C  
-ATOM   4387  CB  SER B 755       2.942  -6.311 -14.792  1.00 98.58           C  
-ATOM   4388  O   SER B 755       4.087  -9.334 -14.753  1.00 98.58           O  
-ATOM   4389  OG  SER B 755       1.955  -7.146 -15.371  1.00 98.58           O  
-ATOM   4390  N   GLY B 756       4.704  -8.236 -12.864  1.00 98.36           N  
-ATOM   4391  CA  GLY B 756       4.606  -9.356 -11.942  1.00 98.36           C  
-ATOM   4392  C   GLY B 756       3.647  -9.102 -10.794  1.00 98.36           C  
-ATOM   4393  O   GLY B 756       3.618  -8.004 -10.234  1.00 98.36           O  
-ATOM   4394  N   ALA B 757       2.950 -10.218 -10.380  1.00 98.13           N  
-ATOM   4395  CA  ALA B 757       1.880  -9.956  -9.421  1.00 98.13           C  
-ATOM   4396  C   ALA B 757       1.776 -11.081  -8.395  1.00 98.13           C  
-ATOM   4397  CB  ALA B 757       0.548  -9.777 -10.146  1.00 98.13           C  
-ATOM   4398  O   ALA B 757       2.544 -12.044  -8.440  1.00 98.13           O  
-ATOM   4399  N   CYS B 758       0.814 -10.932  -7.437  1.00 96.19           N  
-ATOM   4400  CA  CYS B 758       0.574 -11.883  -6.357  1.00 96.19           C  
-ATOM   4401  C   CYS B 758      -0.279 -13.050  -6.839  1.00 96.19           C  
-ATOM   4402  CB  CYS B 758      -0.110 -11.193  -5.177  1.00 96.19           C  
-ATOM   4403  O   CYS B 758      -0.629 -13.934  -6.054  1.00 96.19           O  
-ATOM   4404  SG  CYS B 758       0.954 -10.025  -4.301  1.00 96.19           S  
-ATOM   4405  N   ASP B 759      -0.588 -13.089  -8.084  1.00 96.04           N  
-ATOM   4406  CA  ASP B 759      -1.276 -14.236  -8.667  1.00 96.04           C  
-ATOM   4407  C   ASP B 759      -0.281 -15.228  -9.266  1.00 96.04           C  
-ATOM   4408  CB  ASP B 759      -2.271 -13.780  -9.736  1.00 96.04           C  
-ATOM   4409  O   ASP B 759      -0.660 -16.096 -10.055  1.00 96.04           O  
-ATOM   4410  CG  ASP B 759      -1.611 -13.032 -10.881  1.00 96.04           C  
-ATOM   4411  OD1 ASP B 759      -0.363 -13.001 -10.949  1.00 96.04           O  
-ATOM   4412  OD2 ASP B 759      -2.344 -12.465 -11.720  1.00 96.04           O  
-ATOM   4413  N   ALA B 760       0.955 -15.039  -9.011  1.00 96.98           N  
-ATOM   4414  CA  ALA B 760       2.076 -15.906  -9.363  1.00 96.98           C  
-ATOM   4415  C   ALA B 760       2.313 -15.912 -10.870  1.00 96.98           C  
-ATOM   4416  CB  ALA B 760       1.828 -17.327  -8.861  1.00 96.98           C  
-ATOM   4417  O   ALA B 760       2.814 -16.894 -11.423  1.00 96.98           O  
-ATOM   4418  N   SER B 761       1.855 -14.866 -11.527  1.00 97.57           N  
-ATOM   4419  CA  SER B 761       2.034 -14.800 -12.974  1.00 97.57           C  
-ATOM   4420  C   SER B 761       2.710 -13.498 -13.388  1.00 97.57           C  
-ATOM   4421  CB  SER B 761       0.689 -14.936 -13.688  1.00 97.57           C  
-ATOM   4422  O   SER B 761       2.657 -12.505 -12.659  1.00 97.57           O  
-ATOM   4423  OG  SER B 761      -0.132 -13.809 -13.434  1.00 97.57           O  
-ATOM   4424  N   ALA B 762       3.461 -13.575 -14.495  1.00 98.43           N  
-ATOM   4425  CA  ALA B 762       3.975 -12.402 -15.198  1.00 98.43           C  
-ATOM   4426  C   ALA B 762       3.210 -12.162 -16.497  1.00 98.43           C  
-ATOM   4427  CB  ALA B 762       5.466 -12.565 -15.485  1.00 98.43           C  
-ATOM   4428  O   ALA B 762       2.906 -13.107 -17.229  1.00 98.43           O  
-ATOM   4429  N   LYS B 763       2.925 -10.893 -16.758  1.00 98.25           N  
-ATOM   4430  CA  LYS B 763       2.145 -10.582 -17.953  1.00 98.25           C  
-ATOM   4431  C   LYS B 763       2.847  -9.535 -18.812  1.00 98.25           C  
-ATOM   4432  CB  LYS B 763       0.747 -10.094 -17.569  1.00 98.25           C  
-ATOM   4433  O   LYS B 763       3.400  -8.565 -18.289  1.00 98.25           O  
-ATOM   4434  CG  LYS B 763      -0.158 -11.183 -17.013  1.00 98.25           C  
-ATOM   4435  CD  LYS B 763      -1.544 -10.643 -16.683  1.00 98.25           C  
-ATOM   4436  CE  LYS B 763      -2.444 -11.727 -16.104  1.00 98.25           C  
-ATOM   4437  NZ  LYS B 763      -2.851 -12.721 -17.142  1.00 98.25           N  
-ATOM   4438  N   LEU B 764       2.774  -9.766 -20.115  1.00 97.94           N  
-ATOM   4439  CA  LEU B 764       3.349  -8.869 -21.111  1.00 97.94           C  
-ATOM   4440  C   LEU B 764       2.279  -7.963 -21.710  1.00 97.94           C  
-ATOM   4441  CB  LEU B 764       4.035  -9.670 -22.221  1.00 97.94           C  
-ATOM   4442  O   LEU B 764       1.228  -8.439 -22.144  1.00 97.94           O  
-ATOM   4443  CG  LEU B 764       4.733  -8.856 -23.312  1.00 97.94           C  
-ATOM   4444  CD1 LEU B 764       5.980  -8.179 -22.753  1.00 97.94           C  
-ATOM   4445  CD2 LEU B 764       5.089  -9.746 -24.499  1.00 97.94           C  
-ATOM   4446  N   TRP B 765       2.635  -6.650 -21.716  1.00 97.59           N  
-ATOM   4447  CA  TRP B 765       1.658  -5.662 -22.163  1.00 97.59           C  
-ATOM   4448  C   TRP B 765       2.227  -4.807 -23.290  1.00 97.59           C  
-ATOM   4449  CB  TRP B 765       1.224  -4.770 -20.997  1.00 97.59           C  
-ATOM   4450  O   TRP B 765       3.416  -4.481 -23.292  1.00 97.59           O  
-ATOM   4451  CG  TRP B 765       0.913  -5.521 -19.738  1.00 97.59           C  
-ATOM   4452  CD1 TRP B 765       1.790  -5.871 -18.748  1.00 97.59           C  
-ATOM   4453  CD2 TRP B 765      -0.366  -6.021 -19.335  1.00 97.59           C  
-ATOM   4454  CE2 TRP B 765      -0.191  -6.663 -18.090  1.00 97.59           C  
-ATOM   4455  CE3 TRP B 765      -1.645  -5.987 -19.908  1.00 97.59           C  
-ATOM   4456  NE1 TRP B 765       1.132  -6.558 -17.754  1.00 97.59           N  
-ATOM   4457  CH2 TRP B 765      -2.489  -7.219 -17.988  1.00 97.59           C  
-ATOM   4458  CZ2 TRP B 765      -1.249  -7.267 -17.406  1.00 97.59           C  
-ATOM   4459  CZ3 TRP B 765      -2.696  -6.588 -19.225  1.00 97.59           C  
-ATOM   4460  N   ASP B 766       1.296  -4.524 -24.215  1.00 94.85           N  
-ATOM   4461  CA  ASP B 766       1.585  -3.473 -25.187  1.00 94.85           C  
-ATOM   4462  C   ASP B 766       1.075  -2.119 -24.699  1.00 94.85           C  
-ATOM   4463  CB  ASP B 766       0.963  -3.812 -26.543  1.00 94.85           C  
-ATOM   4464  O   ASP B 766      -0.121  -1.953 -24.449  1.00 94.85           O  
-ATOM   4465  CG  ASP B 766       1.474  -2.927 -27.667  1.00 94.85           C  
-ATOM   4466  OD1 ASP B 766       1.477  -1.686 -27.513  1.00 94.85           O  
-ATOM   4467  OD2 ASP B 766       1.875  -3.475 -28.717  1.00 94.85           O  
-ATOM   4468  N   VAL B 767       1.975  -1.175 -24.633  1.00 93.37           N  
-ATOM   4469  CA  VAL B 767       1.660   0.113 -24.025  1.00 93.37           C  
-ATOM   4470  C   VAL B 767       0.573   0.815 -24.835  1.00 93.37           C  
-ATOM   4471  CB  VAL B 767       2.911   1.013 -23.919  1.00 93.37           C  
-ATOM   4472  O   VAL B 767      -0.304   1.474 -24.270  1.00 93.37           O  
-ATOM   4473  CG1 VAL B 767       2.536   2.401 -23.403  1.00 93.37           C  
-ATOM   4474  CG2 VAL B 767       3.957   0.367 -23.013  1.00 93.37           C  
-ATOM   4475  N   ARG B 768       0.366   0.559 -26.112  1.00 88.84           N  
-ATOM   4476  CA  ARG B 768      -0.527   1.276 -27.017  1.00 88.84           C  
-ATOM   4477  C   ARG B 768      -1.910   0.636 -27.043  1.00 88.84           C  
-ATOM   4478  CB  ARG B 768       0.059   1.317 -28.430  1.00 88.84           C  
-ATOM   4479  O   ARG B 768      -2.921   1.333 -27.157  1.00 88.84           O  
-ATOM   4480  CG  ARG B 768       1.382   2.061 -28.527  1.00 88.84           C  
-ATOM   4481  CD  ARG B 768       2.014   1.910 -29.903  1.00 88.84           C  
-ATOM   4482  NE  ARG B 768       2.388   0.525 -30.176  1.00 88.84           N  
-ATOM   4483  NH1 ARG B 768       3.204   0.945 -32.296  1.00 88.84           N  
-ATOM   4484  NH2 ARG B 768       3.245  -1.185 -31.448  1.00 88.84           N  
-ATOM   4485  CZ  ARG B 768       2.945   0.098 -31.306  1.00 88.84           C  
-ATOM   4486  N   GLU B 769      -1.952  -0.674 -26.951  1.00 88.56           N  
-ATOM   4487  CA  GLU B 769      -3.186  -1.412 -27.204  1.00 88.56           C  
-ATOM   4488  C   GLU B 769      -3.962  -1.648 -25.912  1.00 88.56           C  
-ATOM   4489  CB  GLU B 769      -2.883  -2.748 -27.887  1.00 88.56           C  
-ATOM   4490  O   GLU B 769      -5.178  -1.848 -25.940  1.00 88.56           O  
-ATOM   4491  CG  GLU B 769      -2.290  -2.606 -29.281  1.00 88.56           C  
-ATOM   4492  CD  GLU B 769      -2.071  -3.939 -29.979  1.00 88.56           C  
-ATOM   4493  OE1 GLU B 769      -1.531  -3.951 -31.109  1.00 88.56           O  
-ATOM   4494  OE2 GLU B 769      -2.445  -4.979 -29.393  1.00 88.56           O  
-ATOM   4495  N   GLY B 770      -3.362  -1.651 -24.752  1.00 84.62           N  
-ATOM   4496  CA  GLY B 770      -3.978  -1.796 -23.442  1.00 84.62           C  
-ATOM   4497  C   GLY B 770      -4.399  -3.221 -23.136  1.00 84.62           C  
-ATOM   4498  O   GLY B 770      -5.199  -3.456 -22.228  1.00 84.62           O  
-ATOM   4499  N   MET B 771      -3.953  -4.230 -24.066  1.00 86.86           N  
-ATOM   4500  CA  MET B 771      -4.342  -5.614 -23.812  1.00 86.86           C  
-ATOM   4501  C   MET B 771      -3.123  -6.468 -23.478  1.00 86.86           C  
-ATOM   4502  CB  MET B 771      -5.075  -6.198 -25.020  1.00 86.86           C  
-ATOM   4503  O   MET B 771      -2.016  -6.186 -23.940  1.00 86.86           O  
-ATOM   4504  CG  MET B 771      -4.244  -6.214 -26.293  1.00 86.86           C  
-ATOM   4505  SD  MET B 771      -5.167  -6.895 -27.726  1.00 86.86           S  
-ATOM   4506  CE  MET B 771      -4.370  -5.986 -29.079  1.00 86.86           C  
-ATOM   4507  N   CYS B 772      -3.459  -7.464 -22.660  1.00 92.70           N  
-ATOM   4508  CA  CYS B 772      -2.420  -8.429 -22.320  1.00 92.70           C  
-ATOM   4509  C   CYS B 772      -2.075  -9.304 -23.520  1.00 92.70           C  
-ATOM   4510  CB  CYS B 772      -2.865  -9.305 -21.150  1.00 92.70           C  
-ATOM   4511  O   CYS B 772      -2.954  -9.939 -24.104  1.00 92.70           O  
-ATOM   4512  SG  CYS B 772      -1.665 -10.576 -20.694  1.00 92.70           S  
-ATOM   4513  N   ARG B 773      -0.729  -9.417 -23.895  1.00 93.95           N  
-ATOM   4514  CA  ARG B 773      -0.278 -10.161 -25.067  1.00 93.95           C  
-ATOM   4515  C   ARG B 773       0.090 -11.594 -24.697  1.00 93.95           C  
-ATOM   4516  CB  ARG B 773       0.918  -9.464 -25.718  1.00 93.95           C  
-ATOM   4517  O   ARG B 773      -0.186 -12.526 -25.455  1.00 93.95           O  
-ATOM   4518  CG  ARG B 773       0.581  -8.122 -26.349  1.00 93.95           C  
-ATOM   4519  CD  ARG B 773      -0.117  -8.290 -27.691  1.00 93.95           C  
-ATOM   4520  NE  ARG B 773      -0.203  -7.024 -28.415  1.00 93.95           N  
-ATOM   4521  NH1 ARG B 773       0.667  -7.855 -30.387  1.00 93.95           N  
-ATOM   4522  NH2 ARG B 773       0.049  -5.653 -30.240  1.00 93.95           N  
-ATOM   4523  CZ  ARG B 773       0.171  -6.847 -29.679  1.00 93.95           C  
-ATOM   4524  N   GLN B 774       0.742 -11.685 -23.566  1.00 94.50           N  
-ATOM   4525  CA  GLN B 774       1.182 -13.005 -23.125  1.00 94.50           C  
-ATOM   4526  C   GLN B 774       1.123 -13.125 -21.605  1.00 94.50           C  
-ATOM   4527  CB  GLN B 774       2.600 -13.291 -23.620  1.00 94.50           C  
-ATOM   4528  O   GLN B 774       1.256 -12.128 -20.893  1.00 94.50           O  
-ATOM   4529  CG  GLN B 774       2.717 -13.375 -25.136  1.00 94.50           C  
-ATOM   4530  CD  GLN B 774       4.143 -13.601 -25.603  1.00 94.50           C  
-ATOM   4531  NE2 GLN B 774       4.299 -14.342 -26.695  1.00 94.50           N  
-ATOM   4532  OE1 GLN B 774       5.097 -13.113 -24.988  1.00 94.50           O  
-ATOM   4533  N   THR B 775       0.801 -14.345 -21.163  1.00 95.24           N  
-ATOM   4534  CA  THR B 775       0.826 -14.662 -19.739  1.00 95.24           C  
-ATOM   4535  C   THR B 775       1.831 -15.774 -19.450  1.00 95.24           C  
-ATOM   4536  CB  THR B 775      -0.567 -15.083 -19.237  1.00 95.24           C  
-ATOM   4537  O   THR B 775       1.802 -16.826 -20.092  1.00 95.24           O  
-ATOM   4538  CG2 THR B 775      -0.538 -15.415 -17.748  1.00 95.24           C  
-ATOM   4539  OG1 THR B 775      -1.492 -14.011 -19.457  1.00 95.24           O  
-ATOM   4540  N   PHE B 776       2.767 -15.414 -18.514  1.00 96.04           N  
-ATOM   4541  CA  PHE B 776       3.795 -16.377 -18.137  1.00 96.04           C  
-ATOM   4542  C   PHE B 776       3.567 -16.885 -16.718  1.00 96.04           C  
-ATOM   4543  CB  PHE B 776       5.188 -15.750 -18.252  1.00 96.04           C  
-ATOM   4544  O   PHE B 776       3.465 -16.093 -15.779  1.00 96.04           O  
-ATOM   4545  CG  PHE B 776       5.527 -15.277 -19.640  1.00 96.04           C  
-ATOM   4546  CD1 PHE B 776       6.158 -16.123 -20.544  1.00 96.04           C  
-ATOM   4547  CD2 PHE B 776       5.214 -13.984 -20.041  1.00 96.04           C  
-ATOM   4548  CE1 PHE B 776       6.473 -15.687 -21.829  1.00 96.04           C  
-ATOM   4549  CE2 PHE B 776       5.526 -13.541 -21.323  1.00 96.04           C  
-ATOM   4550  CZ  PHE B 776       6.156 -14.394 -22.215  1.00 96.04           C  
-ATOM   4551  N   THR B 777       3.522 -18.248 -16.608  1.00 93.97           N  
-ATOM   4552  CA  THR B 777       3.331 -18.922 -15.328  1.00 93.97           C  
-ATOM   4553  C   THR B 777       4.520 -19.823 -15.008  1.00 93.97           C  
-ATOM   4554  CB  THR B 777       2.036 -19.755 -15.324  1.00 93.97           C  
-ATOM   4555  O   THR B 777       5.363 -20.077 -15.871  1.00 93.97           O  
-ATOM   4556  CG2 THR B 777       0.815 -18.875 -15.571  1.00 93.97           C  
-ATOM   4557  OG1 THR B 777       2.111 -20.750 -16.353  1.00 93.97           O  
-ATOM   4558  N   GLY B 778       4.687 -20.205 -13.722  1.00 91.99           N  
-ATOM   4559  CA  GLY B 778       5.779 -21.073 -13.310  1.00 91.99           C  
-ATOM   4560  C   GLY B 778       6.126 -20.940 -11.840  1.00 91.99           C  
-ATOM   4561  O   GLY B 778       6.409 -21.936 -11.171  1.00 91.99           O  
-ATOM   4562  N   HIS B 779       5.958 -19.813 -11.329  1.00 97.17           N  
-ATOM   4563  CA  HIS B 779       6.231 -19.601  -9.912  1.00 97.17           C  
-ATOM   4564  C   HIS B 779       5.105 -20.154  -9.045  1.00 97.17           C  
-ATOM   4565  CB  HIS B 779       6.435 -18.113  -9.622  1.00 97.17           C  
-ATOM   4566  O   HIS B 779       3.962 -20.260  -9.497  1.00 97.17           O  
-ATOM   4567  CG  HIS B 779       7.798 -17.614  -9.980  1.00 97.17           C  
-ATOM   4568  CD2 HIS B 779       8.199 -16.703 -10.899  1.00 97.17           C  
-ATOM   4569  ND1 HIS B 779       8.943 -18.064  -9.358  1.00 97.17           N  
-ATOM   4570  CE1 HIS B 779       9.991 -17.450  -9.880  1.00 97.17           C  
-ATOM   4571  NE2 HIS B 779       9.567 -16.619 -10.817  1.00 97.17           N  
-ATOM   4572  N   GLU B 780       5.388 -20.499  -7.817  1.00 94.43           N  
-ATOM   4573  CA  GLU B 780       4.414 -21.061  -6.886  1.00 94.43           C  
-ATOM   4574  C   GLU B 780       3.965 -20.022  -5.862  1.00 94.43           C  
-ATOM   4575  CB  GLU B 780       4.995 -22.285  -6.173  1.00 94.43           C  
-ATOM   4576  O   GLU B 780       3.182 -20.329  -4.961  1.00 94.43           O  
-ATOM   4577  CG  GLU B 780       5.332 -23.439  -7.107  1.00 94.43           C  
-ATOM   4578  CD  GLU B 780       5.903 -24.648  -6.384  1.00 94.43           C  
-ATOM   4579  OE1 GLU B 780       6.148 -25.687  -7.040  1.00 94.43           O  
-ATOM   4580  OE2 GLU B 780       6.106 -24.557  -5.153  1.00 94.43           O  
-ATOM   4581  N   SER B 781       4.601 -18.893  -5.912  1.00 96.11           N  
-ATOM   4582  CA  SER B 781       4.279 -17.818  -4.980  1.00 96.11           C  
-ATOM   4583  C   SER B 781       4.311 -16.459  -5.670  1.00 96.11           C  
-ATOM   4584  CB  SER B 781       5.252 -17.823  -3.800  1.00 96.11           C  
-ATOM   4585  O   SER B 781       4.367 -16.383  -6.900  1.00 96.11           O  
-ATOM   4586  OG  SER B 781       4.763 -17.018  -2.741  1.00 96.11           O  
-ATOM   4587  N   ASP B 782       4.189 -15.285  -4.915  1.00 97.00           N  
-ATOM   4588  CA  ASP B 782       4.130 -13.914  -5.413  1.00 97.00           C  
-ATOM   4589  C   ASP B 782       5.394 -13.558  -6.192  1.00 97.00           C  
-ATOM   4590  CB  ASP B 782       3.930 -12.931  -4.257  1.00 97.00           C  
-ATOM   4591  O   ASP B 782       6.501 -13.917  -5.787  1.00 97.00           O  
-ATOM   4592  CG  ASP B 782       2.650 -13.183  -3.480  1.00 97.00           C  
-ATOM   4593  OD1 ASP B 782       1.837 -14.034  -3.901  1.00 97.00           O  
-ATOM   4594  OD2 ASP B 782       2.451 -12.521  -2.438  1.00 97.00           O  
-ATOM   4595  N   ILE B 783       5.228 -12.938  -7.321  1.00 98.24           N  
-ATOM   4596  CA  ILE B 783       6.344 -12.383  -8.080  1.00 98.24           C  
-ATOM   4597  C   ILE B 783       6.625 -10.956  -7.613  1.00 98.24           C  
-ATOM   4598  CB  ILE B 783       6.061 -12.404  -9.599  1.00 98.24           C  
-ATOM   4599  O   ILE B 783       5.870 -10.033  -7.928  1.00 98.24           O  
-ATOM   4600  CG1 ILE B 783       5.858 -13.844 -10.084  1.00 98.24           C  
-ATOM   4601  CG2 ILE B 783       7.195 -11.721 -10.369  1.00 98.24           C  
-ATOM   4602  CD1 ILE B 783       5.490 -13.954 -11.557  1.00 98.24           C  
-ATOM   4603  N   ASN B 784       7.764 -10.794  -6.944  1.00 97.24           N  
-ATOM   4604  CA  ASN B 784       8.071  -9.530  -6.283  1.00 97.24           C  
-ATOM   4605  C   ASN B 784       8.899  -8.614  -7.179  1.00 97.24           C  
-ATOM   4606  CB  ASN B 784       8.799  -9.780  -4.961  1.00 97.24           C  
-ATOM   4607  O   ASN B 784       8.939  -7.401  -6.967  1.00 97.24           O  
-ATOM   4608  CG  ASN B 784       7.959 -10.559  -3.969  1.00 97.24           C  
-ATOM   4609  ND2 ASN B 784       8.572 -11.536  -3.311  1.00 97.24           N  
-ATOM   4610  OD1 ASN B 784       6.768 -10.287  -3.795  1.00 97.24           O  
-ATOM   4611  N   ALA B 785       9.664  -9.195  -8.113  1.00 97.64           N  
-ATOM   4612  CA  ALA B 785      10.579  -8.396  -8.924  1.00 97.64           C  
-ATOM   4613  C   ALA B 785      10.629  -8.908 -10.360  1.00 97.64           C  
-ATOM   4614  CB  ALA B 785      11.977  -8.403  -8.311  1.00 97.64           C  
-ATOM   4615  O   ALA B 785      10.589 -10.118 -10.596  1.00 97.64           O  
-ATOM   4616  N   ILE B 786      10.703  -7.959 -11.258  1.00 98.01           N  
-ATOM   4617  CA  ILE B 786      10.755  -8.288 -12.678  1.00 98.01           C  
-ATOM   4618  C   ILE B 786      11.742  -7.363 -13.387  1.00 98.01           C  
-ATOM   4619  CB  ILE B 786       9.360  -8.186 -13.334  1.00 98.01           C  
-ATOM   4620  O   ILE B 786      11.839  -6.178 -13.057  1.00 98.01           O  
-ATOM   4621  CG1 ILE B 786       9.354  -8.897 -14.692  1.00 98.01           C  
-ATOM   4622  CG2 ILE B 786       8.938  -6.721 -13.480  1.00 98.01           C  
-ATOM   4623  CD1 ILE B 786       7.962  -9.233 -15.209  1.00 98.01           C  
-ATOM   4624  N   CYS B 787      12.482  -7.967 -14.381  1.00 97.88           N  
-ATOM   4625  CA  CYS B 787      13.420  -7.151 -15.144  1.00 97.88           C  
-ATOM   4626  C   CYS B 787      13.577  -7.683 -16.564  1.00 97.88           C  
-ATOM   4627  CB  CYS B 787      14.782  -7.111 -14.451  1.00 97.88           C  
-ATOM   4628  O   CYS B 787      13.784  -8.881 -16.763  1.00 97.88           O  
-ATOM   4629  SG  CYS B 787      16.027  -6.158 -15.347  1.00 97.88           S  
-ATOM   4630  N   PHE B 788      13.505  -6.783 -17.507  1.00 98.16           N  
-ATOM   4631  CA  PHE B 788      13.729  -7.162 -18.897  1.00 98.16           C  
-ATOM   4632  C   PHE B 788      15.194  -7.509 -19.134  1.00 98.16           C  
-ATOM   4633  CB  PHE B 788      13.297  -6.034 -19.839  1.00 98.16           C  
-ATOM   4634  O   PHE B 788      16.086  -6.902 -18.537  1.00 98.16           O  
-ATOM   4635  CG  PHE B 788      11.930  -6.232 -20.437  1.00 98.16           C  
-ATOM   4636  CD1 PHE B 788      11.730  -7.151 -21.459  1.00 98.16           C  
-ATOM   4637  CD2 PHE B 788      10.845  -5.498 -19.976  1.00 98.16           C  
-ATOM   4638  CE1 PHE B 788      10.466  -7.337 -22.014  1.00 98.16           C  
-ATOM   4639  CE2 PHE B 788       9.579  -5.678 -20.525  1.00 98.16           C  
-ATOM   4640  CZ  PHE B 788       9.392  -6.597 -21.545  1.00 98.16           C  
-ATOM   4641  N   PHE B 789      15.318  -8.500 -19.971  1.00 97.42           N  
-ATOM   4642  CA  PHE B 789      16.644  -8.783 -20.508  1.00 97.42           C  
-ATOM   4643  C   PHE B 789      17.122  -7.642 -21.398  1.00 97.42           C  
-ATOM   4644  CB  PHE B 789      16.638 -10.097 -21.295  1.00 97.42           C  
-ATOM   4645  O   PHE B 789      16.319  -6.998 -22.076  1.00 97.42           O  
-ATOM   4646  CG  PHE B 789      18.005 -10.693 -21.493  1.00 97.42           C  
-ATOM   4647  CD1 PHE B 789      18.673 -10.549 -22.703  1.00 97.42           C  
-ATOM   4648  CD2 PHE B 789      18.623 -11.397 -20.468  1.00 97.42           C  
-ATOM   4649  CE1 PHE B 789      19.939 -11.100 -22.888  1.00 97.42           C  
-ATOM   4650  CE2 PHE B 789      19.888 -11.951 -20.646  1.00 97.42           C  
-ATOM   4651  CZ  PHE B 789      20.544 -11.802 -21.857  1.00 97.42           C  
-ATOM   4652  N   PRO B 790      18.463  -7.414 -21.421  1.00 96.36           N  
-ATOM   4653  CA  PRO B 790      18.996  -6.220 -22.080  1.00 96.36           C  
-ATOM   4654  C   PRO B 790      18.604  -6.135 -23.554  1.00 96.36           C  
-ATOM   4655  CB  PRO B 790      20.510  -6.377 -21.925  1.00 96.36           C  
-ATOM   4656  O   PRO B 790      18.386  -5.039 -24.076  1.00 96.36           O  
-ATOM   4657  CG  PRO B 790      20.688  -7.116 -20.639  1.00 96.36           C  
-ATOM   4658  CD  PRO B 790      19.595  -8.139 -20.521  1.00 96.36           C  
-ATOM   4659  N   ASN B 791      18.411  -7.199 -24.237  1.00 94.77           N  
-ATOM   4660  CA  ASN B 791      18.094  -7.129 -25.660  1.00 94.77           C  
-ATOM   4661  C   ASN B 791      16.591  -7.010 -25.894  1.00 94.77           C  
-ATOM   4662  CB  ASN B 791      18.651  -8.350 -26.394  1.00 94.77           C  
-ATOM   4663  O   ASN B 791      16.143  -6.900 -27.036  1.00 94.77           O  
-ATOM   4664  CG  ASN B 791      18.016  -9.648 -25.935  1.00 94.77           C  
-ATOM   4665  ND2 ASN B 791      18.535 -10.768 -26.425  1.00 94.77           N  
-ATOM   4666  OD1 ASN B 791      17.066  -9.644 -25.148  1.00 94.77           O  
-ATOM   4667  N   GLY B 792      15.827  -7.237 -24.818  1.00 96.10           N  
-ATOM   4668  CA  GLY B 792      14.396  -6.992 -24.892  1.00 96.10           C  
-ATOM   4669  C   GLY B 792      13.602  -8.215 -25.311  1.00 96.10           C  
-ATOM   4670  O   GLY B 792      12.382  -8.143 -25.474  1.00 96.10           O  
-ATOM   4671  N   ASN B 793      14.221  -9.281 -25.484  1.00 96.01           N  
-ATOM   4672  CA  ASN B 793      13.548 -10.470 -25.995  1.00 96.01           C  
-ATOM   4673  C   ASN B 793      13.233 -11.459 -24.876  1.00 96.01           C  
-ATOM   4674  CB  ASN B 793      14.396 -11.143 -27.076  1.00 96.01           C  
-ATOM   4675  O   ASN B 793      12.633 -12.508 -25.120  1.00 96.01           O  
-ATOM   4676  CG  ASN B 793      14.491 -10.316 -28.343  1.00 96.01           C  
-ATOM   4677  ND2 ASN B 793      15.599 -10.457 -29.061  1.00 96.01           N  
-ATOM   4678  OD1 ASN B 793      13.578  -9.556 -28.673  1.00 96.01           O  
-ATOM   4679  N   ALA B 794      13.664 -11.193 -23.704  1.00 97.22           N  
-ATOM   4680  CA  ALA B 794      13.438 -12.039 -22.536  1.00 97.22           C  
-ATOM   4681  C   ALA B 794      13.324 -11.202 -21.265  1.00 97.22           C  
-ATOM   4682  CB  ALA B 794      14.562 -13.063 -22.395  1.00 97.22           C  
-ATOM   4683  O   ALA B 794      13.566  -9.993 -21.288  1.00 97.22           O  
-ATOM   4684  N   PHE B 795      12.895 -11.868 -20.233  1.00 98.42           N  
-ATOM   4685  CA  PHE B 795      12.840 -11.187 -18.945  1.00 98.42           C  
-ATOM   4686  C   PHE B 795      12.998 -12.179 -17.799  1.00 98.42           C  
-ATOM   4687  CB  PHE B 795      11.522 -10.420 -18.797  1.00 98.42           C  
-ATOM   4688  O   PHE B 795      12.805 -13.383 -17.983  1.00 98.42           O  
-ATOM   4689  CG  PHE B 795      10.305 -11.305 -18.772  1.00 98.42           C  
-ATOM   4690  CD1 PHE B 795       9.684 -11.691 -19.953  1.00 98.42           C  
-ATOM   4691  CD2 PHE B 795       9.781 -11.751 -17.565  1.00 98.42           C  
-ATOM   4692  CE1 PHE B 795       8.557 -12.510 -19.933  1.00 98.42           C  
-ATOM   4693  CE2 PHE B 795       8.656 -12.569 -17.536  1.00 98.42           C  
-ATOM   4694  CZ  PHE B 795       8.044 -12.947 -18.721  1.00 98.42           C  
-ATOM   4695  N   ALA B 796      13.403 -11.606 -16.642  1.00 98.47           N  
-ATOM   4696  CA  ALA B 796      13.569 -12.440 -15.455  1.00 98.47           C  
-ATOM   4697  C   ALA B 796      12.608 -12.015 -14.348  1.00 98.47           C  
-ATOM   4698  CB  ALA B 796      15.011 -12.376 -14.957  1.00 98.47           C  
-ATOM   4699  O   ALA B 796      12.247 -10.841 -14.248  1.00 98.47           O  
-ATOM   4700  N   THR B 797      12.260 -13.034 -13.566  1.00 98.70           N  
-ATOM   4701  CA  THR B 797      11.368 -12.791 -12.437  1.00 98.70           C  
-ATOM   4702  C   THR B 797      11.990 -13.296 -11.138  1.00 98.70           C  
-ATOM   4703  CB  THR B 797      10.000 -13.464 -12.650  1.00 98.70           C  
-ATOM   4704  O   THR B 797      12.752 -14.265 -11.144  1.00 98.70           O  
-ATOM   4705  CG2 THR B 797       9.316 -12.934 -13.906  1.00 98.70           C  
-ATOM   4706  OG1 THR B 797      10.186 -14.879 -12.782  1.00 98.70           O  
-ATOM   4707  N   GLY B 798      11.675 -12.622 -10.051  1.00 98.29           N  
-ATOM   4708  CA  GLY B 798      11.980 -13.047  -8.694  1.00 98.29           C  
-ATOM   4709  C   GLY B 798      10.743 -13.228  -7.833  1.00 98.29           C  
-ATOM   4710  O   GLY B 798       9.895 -12.336  -7.761  1.00 98.29           O  
-ATOM   4711  N   SER B 799      10.719 -14.308  -7.030  1.00 98.13           N  
-ATOM   4712  CA  SER B 799       9.480 -14.670  -6.350  1.00 98.13           C  
-ATOM   4713  C   SER B 799       9.734 -15.025  -4.889  1.00 98.13           C  
-ATOM   4714  CB  SER B 799       8.803 -15.844  -7.058  1.00 98.13           C  
-ATOM   4715  O   SER B 799      10.877 -15.262  -4.492  1.00 98.13           O  
-ATOM   4716  OG  SER B 799       7.691 -16.309  -6.311  1.00 98.13           O  
-ATOM   4717  N   ASP B 800       8.593 -15.098  -4.151  1.00 95.31           N  
-ATOM   4718  CA  ASP B 800       8.620 -15.514  -2.752  1.00 95.31           C  
-ATOM   4719  C   ASP B 800       8.902 -17.010  -2.629  1.00 95.31           C  
-ATOM   4720  CB  ASP B 800       7.297 -15.170  -2.064  1.00 95.31           C  
-ATOM   4721  O   ASP B 800       9.099 -17.521  -1.525  1.00 95.31           O  
-ATOM   4722  CG  ASP B 800       7.200 -13.709  -1.663  1.00 95.31           C  
-ATOM   4723  OD1 ASP B 800       8.235 -13.008  -1.654  1.00 95.31           O  
-ATOM   4724  OD2 ASP B 800       6.078 -13.254  -1.351  1.00 95.31           O  
-ATOM   4725  N   ASP B 801       8.913 -17.699  -3.708  1.00 95.50           N  
-ATOM   4726  CA  ASP B 801       9.236 -19.123  -3.672  1.00 95.50           C  
-ATOM   4727  C   ASP B 801      10.746 -19.344  -3.695  1.00 95.50           C  
-ATOM   4728  CB  ASP B 801       8.579 -19.851  -4.847  1.00 95.50           C  
-ATOM   4729  O   ASP B 801      11.211 -20.465  -3.915  1.00 95.50           O  
-ATOM   4730  CG  ASP B 801       9.142 -19.431  -6.194  1.00 95.50           C  
-ATOM   4731  OD1 ASP B 801      10.128 -18.663  -6.231  1.00 95.50           O  
-ATOM   4732  OD2 ASP B 801       8.593 -19.870  -7.228  1.00 95.50           O  
-ATOM   4733  N   ALA B 802      11.474 -18.308  -3.608  1.00 95.13           N  
-ATOM   4734  CA  ALA B 802      12.924 -18.282  -3.432  1.00 95.13           C  
-ATOM   4735  C   ALA B 802      13.641 -18.620  -4.736  1.00 95.13           C  
-ATOM   4736  CB  ALA B 802      13.344 -19.251  -2.330  1.00 95.13           C  
-ATOM   4737  O   ALA B 802      14.779 -19.095  -4.720  1.00 95.13           O  
-ATOM   4738  N   THR B 803      12.980 -18.424  -5.861  1.00 97.45           N  
-ATOM   4739  CA  THR B 803      13.594 -18.711  -7.153  1.00 97.45           C  
-ATOM   4740  C   THR B 803      13.493 -17.503  -8.080  1.00 97.45           C  
-ATOM   4741  CB  THR B 803      12.939 -19.933  -7.823  1.00 97.45           C  
-ATOM   4742  O   THR B 803      12.609 -16.660  -7.916  1.00 97.45           O  
-ATOM   4743  CG2 THR B 803      12.953 -21.143  -6.894  1.00 97.45           C  
-ATOM   4744  OG1 THR B 803      11.582 -19.617  -8.158  1.00 97.45           O  
-ATOM   4745  N   CYS B 804      14.531 -17.374  -8.999  1.00 98.31           N  
-ATOM   4746  CA  CYS B 804      14.420 -16.532 -10.184  1.00 98.31           C  
-ATOM   4747  C   CYS B 804      14.144 -17.372 -11.426  1.00 98.31           C  
-ATOM   4748  CB  CYS B 804      15.697 -15.716 -10.384  1.00 98.31           C  
-ATOM   4749  O   CYS B 804      14.613 -18.507 -11.530  1.00 98.31           O  
-ATOM   4750  SG  CYS B 804      16.040 -14.560  -9.039  1.00 98.31           S  
-ATOM   4751  N   ARG B 805      13.382 -16.781 -12.275  1.00 98.22           N  
-ATOM   4752  CA  ARG B 805      13.098 -17.499 -13.513  1.00 98.22           C  
-ATOM   4753  C   ARG B 805      13.320 -16.605 -14.728  1.00 98.22           C  
-ATOM   4754  CB  ARG B 805      11.664 -18.032 -13.509  1.00 98.22           C  
-ATOM   4755  O   ARG B 805      13.002 -15.414 -14.696  1.00 98.22           O  
-ATOM   4756  CG  ARG B 805      11.402 -19.089 -12.448  1.00 98.22           C  
-ATOM   4757  CD  ARG B 805      10.049 -19.759 -12.641  1.00 98.22           C  
-ATOM   4758  NE  ARG B 805       9.852 -20.858 -11.699  1.00 98.22           N  
-ATOM   4759  NH1 ARG B 805       8.089 -21.804 -12.853  1.00 98.22           N  
-ATOM   4760  NH2 ARG B 805       8.835 -22.758 -10.906  1.00 98.22           N  
-ATOM   4761  CZ  ARG B 805       8.926 -21.804 -11.822  1.00 98.22           C  
-ATOM   4762  N   LEU B 806      13.855 -17.233 -15.774  1.00 98.03           N  
-ATOM   4763  CA  LEU B 806      14.088 -16.558 -17.046  1.00 98.03           C  
-ATOM   4764  C   LEU B 806      13.085 -17.018 -18.098  1.00 98.03           C  
-ATOM   4765  CB  LEU B 806      15.515 -16.818 -17.536  1.00 98.03           C  
-ATOM   4766  O   LEU B 806      12.945 -18.217 -18.346  1.00 98.03           O  
-ATOM   4767  CG  LEU B 806      15.918 -16.133 -18.844  1.00 98.03           C  
-ATOM   4768  CD1 LEU B 806      15.915 -14.618 -18.671  1.00 98.03           C  
-ATOM   4769  CD2 LEU B 806      17.287 -16.622 -19.304  1.00 98.03           C  
-ATOM   4770  N   PHE B 807      12.430 -16.002 -18.673  1.00 96.91           N  
-ATOM   4771  CA  PHE B 807      11.419 -16.276 -19.687  1.00 96.91           C  
-ATOM   4772  C   PHE B 807      11.805 -15.646 -21.020  1.00 96.91           C  
-ATOM   4773  CB  PHE B 807      10.050 -15.755 -19.237  1.00 96.91           C  
-ATOM   4774  O   PHE B 807      12.333 -14.533 -21.057  1.00 96.91           O  
-ATOM   4775  CG  PHE B 807       9.547 -16.389 -17.969  1.00 96.91           C  
-ATOM   4776  CD1 PHE B 807       8.741 -17.521 -18.013  1.00 96.91           C  
-ATOM   4777  CD2 PHE B 807       9.879 -15.853 -16.731  1.00 96.91           C  
-ATOM   4778  CE1 PHE B 807       8.274 -18.110 -16.840  1.00 96.91           C  
-ATOM   4779  CE2 PHE B 807       9.415 -16.436 -15.555  1.00 96.91           C  
-ATOM   4780  CZ  PHE B 807       8.612 -17.564 -15.612  1.00 96.91           C  
-ATOM   4781  N   ASP B 808      11.465 -16.345 -22.066  1.00 94.25           N  
-ATOM   4782  CA  ASP B 808      11.694 -15.841 -23.416  1.00 94.25           C  
-ATOM   4783  C   ASP B 808      10.377 -15.475 -24.096  1.00 94.25           C  
-ATOM   4784  CB  ASP B 808      12.450 -16.874 -24.254  1.00 94.25           C  
-ATOM   4785  O   ASP B 808       9.438 -16.273 -24.113  1.00 94.25           O  
-ATOM   4786  CG  ASP B 808      12.896 -16.333 -25.601  1.00 94.25           C  
-ATOM   4787  OD1 ASP B 808      12.188 -16.546 -26.609  1.00 94.25           O  
-ATOM   4788  OD2 ASP B 808      13.967 -15.691 -25.656  1.00 94.25           O  
-ATOM   4789  N   LEU B 809      10.374 -14.276 -24.676  1.00 94.25           N  
-ATOM   4790  CA  LEU B 809       9.142 -13.761 -25.265  1.00 94.25           C  
-ATOM   4791  C   LEU B 809       8.808 -14.498 -26.558  1.00 94.25           C  
-ATOM   4792  CB  LEU B 809       9.265 -12.259 -25.537  1.00 94.25           C  
-ATOM   4793  O   LEU B 809       7.638 -14.757 -26.845  1.00 94.25           O  
-ATOM   4794  CG  LEU B 809       9.486 -11.365 -24.316  1.00 94.25           C  
-ATOM   4795  CD1 LEU B 809       9.584  -9.903 -24.740  1.00 94.25           C  
-ATOM   4796  CD2 LEU B 809       8.364 -11.559 -23.301  1.00 94.25           C  
-ATOM   4797  N   ARG B 810       9.773 -14.924 -27.296  1.00 91.16           N  
-ATOM   4798  CA  ARG B 810       9.580 -15.539 -28.605  1.00 91.16           C  
-ATOM   4799  C   ARG B 810       9.158 -16.998 -28.467  1.00 91.16           C  
-ATOM   4800  CB  ARG B 810      10.857 -15.439 -29.441  1.00 91.16           C  
-ATOM   4801  O   ARG B 810       8.305 -17.477 -29.216  1.00 91.16           O  
-ATOM   4802  CG  ARG B 810      11.329 -14.013 -29.678  1.00 91.16           C  
-ATOM   4803  CD  ARG B 810      12.754 -13.972 -30.210  1.00 91.16           C  
-ATOM   4804  NE  ARG B 810      13.700 -14.557 -29.264  1.00 91.16           N  
-ATOM   4805  NH1 ARG B 810      15.552 -14.255 -30.611  1.00 91.16           N  
-ATOM   4806  NH2 ARG B 810      15.776 -15.227 -28.547  1.00 91.16           N  
-ATOM   4807  CZ  ARG B 810      15.007 -14.679 -29.476  1.00 91.16           C  
-ATOM   4808  N   ALA B 811       9.790 -17.560 -27.493  1.00 89.04           N  
-ATOM   4809  CA  ALA B 811       9.497 -18.972 -27.259  1.00 89.04           C  
-ATOM   4810  C   ALA B 811       8.229 -19.138 -26.427  1.00 89.04           C  
-ATOM   4811  CB  ALA B 811      10.676 -19.653 -26.569  1.00 89.04           C  
-ATOM   4812  O   ALA B 811       7.687 -20.241 -26.323  1.00 89.04           O  
-ATOM   4813  N   ASP B 812       7.748 -18.038 -25.896  1.00 90.22           N  
-ATOM   4814  CA  ASP B 812       6.568 -18.011 -25.037  1.00 90.22           C  
-ATOM   4815  C   ASP B 812       6.667 -19.065 -23.936  1.00 90.22           C  
-ATOM   4816  CB  ASP B 812       5.298 -18.228 -25.861  1.00 90.22           C  
-ATOM   4817  O   ASP B 812       5.703 -19.787 -23.673  1.00 90.22           O  
-ATOM   4818  CG  ASP B 812       4.034 -17.834 -25.117  1.00 90.22           C  
-ATOM   4819  OD1 ASP B 812       4.087 -16.921 -24.265  1.00 90.22           O  
-ATOM   4820  OD2 ASP B 812       2.976 -18.444 -25.384  1.00 90.22           O  
-ATOM   4821  N   GLN B 813       7.843 -19.150 -23.259  1.00 89.76           N  
-ATOM   4822  CA  GLN B 813       8.004 -20.122 -22.184  1.00 89.76           C  
-ATOM   4823  C   GLN B 813       9.189 -19.765 -21.291  1.00 89.76           C  
-ATOM   4824  CB  GLN B 813       8.184 -21.530 -22.755  1.00 89.76           C  
-ATOM   4825  O   GLN B 813      10.005 -18.912 -21.646  1.00 89.76           O  
-ATOM   4826  CG  GLN B 813       9.434 -21.693 -23.608  1.00 89.76           C  
-ATOM   4827  CD  GLN B 813       9.538 -23.068 -24.241  1.00 89.76           C  
-ATOM   4828  NE2 GLN B 813      10.386 -23.191 -25.256  1.00 89.76           N  
-ATOM   4829  OE1 GLN B 813       8.862 -24.012 -23.821  1.00 89.76           O  
-ATOM   4830  N   GLU B 814       9.231 -20.515 -20.190  1.00 93.15           N  
-ATOM   4831  CA  GLU B 814      10.332 -20.404 -19.238  1.00 93.15           C  
-ATOM   4832  C   GLU B 814      11.590 -21.086 -19.767  1.00 93.15           C  
-ATOM   4833  CB  GLU B 814       9.936 -21.004 -17.886  1.00 93.15           C  
-ATOM   4834  O   GLU B 814      11.525 -22.200 -20.292  1.00 93.15           O  
-ATOM   4835  CG  GLU B 814      11.063 -21.011 -16.863  1.00 93.15           C  
-ATOM   4836  CD  GLU B 814      10.723 -21.789 -15.602  1.00 93.15           C  
-ATOM   4837  OE1 GLU B 814      11.638 -22.391 -14.995  1.00 93.15           O  
-ATOM   4838  OE2 GLU B 814       9.532 -21.797 -15.218  1.00 93.15           O  
-ATOM   4839  N   LEU B 815      12.798 -20.403 -19.650  1.00 93.34           N  
-ATOM   4840  CA  LEU B 815      14.048 -20.950 -20.166  1.00 93.34           C  
-ATOM   4841  C   LEU B 815      14.871 -21.577 -19.046  1.00 93.34           C  
-ATOM   4842  CB  LEU B 815      14.864 -19.857 -20.864  1.00 93.34           C  
-ATOM   4843  O   LEU B 815      15.496 -22.622 -19.240  1.00 93.34           O  
-ATOM   4844  CG  LEU B 815      14.264 -19.277 -22.145  1.00 93.34           C  
-ATOM   4845  CD1 LEU B 815      15.222 -18.268 -22.769  1.00 93.34           C  
-ATOM   4846  CD2 LEU B 815      13.935 -20.391 -23.134  1.00 93.34           C  
-ATOM   4847  N   MET B 816      14.827 -20.956 -17.905  1.00 95.27           N  
-ATOM   4848  CA  MET B 816      15.758 -21.367 -16.857  1.00 95.27           C  
-ATOM   4849  C   MET B 816      15.247 -20.951 -15.482  1.00 95.27           C  
-ATOM   4850  CB  MET B 816      17.144 -20.768 -17.103  1.00 95.27           C  
-ATOM   4851  O   MET B 816      14.549 -19.945 -15.352  1.00 95.27           O  
-ATOM   4852  CG  MET B 816      18.220 -21.312 -16.178  1.00 95.27           C  
-ATOM   4853  SD  MET B 816      19.863 -21.408 -16.990  1.00 95.27           S  
-ATOM   4854  CE  MET B 816      19.614 -22.866 -18.041  1.00 95.27           C  
-ATOM   4855  N   THR B 817      15.595 -21.789 -14.475  1.00 96.90           N  
-ATOM   4856  CA  THR B 817      15.320 -21.494 -13.073  1.00 96.90           C  
-ATOM   4857  C   THR B 817      16.619 -21.363 -12.283  1.00 96.90           C  
-ATOM   4858  CB  THR B 817      14.436 -22.582 -12.436  1.00 96.90           C  
-ATOM   4859  O   THR B 817      17.517 -22.198 -12.412  1.00 96.90           O  
-ATOM   4860  CG2 THR B 817      14.089 -22.233 -10.992  1.00 96.90           C  
-ATOM   4861  OG1 THR B 817      13.224 -22.707 -13.190  1.00 96.90           O  
-ATOM   4862  N   TYR B 818      16.675 -20.259 -11.535  1.00 97.15           N  
-ATOM   4863  CA  TYR B 818      17.834 -20.008 -10.687  1.00 97.15           C  
-ATOM   4864  C   TYR B 818      17.492 -20.224  -9.218  1.00 97.15           C  
-ATOM   4865  CB  TYR B 818      18.355 -18.583 -10.897  1.00 97.15           C  
-ATOM   4866  O   TYR B 818      16.722 -19.458  -8.634  1.00 97.15           O  
-ATOM   4867  CG  TYR B 818      18.561 -18.219 -12.348  1.00 97.15           C  
-ATOM   4868  CD1 TYR B 818      19.809 -18.360 -12.951  1.00 97.15           C  
-ATOM   4869  CD2 TYR B 818      17.509 -17.735 -13.117  1.00 97.15           C  
-ATOM   4870  CE1 TYR B 818      20.004 -18.024 -14.286  1.00 97.15           C  
-ATOM   4871  CE2 TYR B 818      17.693 -17.396 -14.454  1.00 97.15           C  
-ATOM   4872  OH  TYR B 818      19.129 -17.211 -16.352  1.00 97.15           O  
-ATOM   4873  CZ  TYR B 818      18.942 -17.545 -15.029  1.00 97.15           C  
-ATOM   4874  N   SER B 819      18.106 -21.281  -8.631  1.00 95.73           N  
-ATOM   4875  CA  SER B 819      17.823 -21.631  -7.243  1.00 95.73           C  
-ATOM   4876  C   SER B 819      19.027 -22.295  -6.583  1.00 95.73           C  
-ATOM   4877  CB  SER B 819      16.610 -22.558  -7.160  1.00 95.73           C  
-ATOM   4878  O   SER B 819      19.936 -22.767  -7.270  1.00 95.73           O  
-ATOM   4879  OG  SER B 819      16.876 -23.793  -7.803  1.00 95.73           O  
-ATOM   4880  N   HIS B 820      19.067 -22.158  -5.291  1.00 92.14           N  
-ATOM   4881  CA  HIS B 820      20.085 -22.802  -4.469  1.00 92.14           C  
-ATOM   4882  C   HIS B 820      19.481 -23.371  -3.189  1.00 92.14           C  
-ATOM   4883  CB  HIS B 820      21.202 -21.813  -4.128  1.00 92.14           C  
-ATOM   4884  O   HIS B 820      18.546 -22.795  -2.630  1.00 92.14           O  
-ATOM   4885  CG  HIS B 820      22.465 -22.470  -3.671  1.00 92.14           C  
-ATOM   4886  CD2 HIS B 820      23.659 -22.629  -4.290  1.00 92.14           C  
-ATOM   4887  ND1 HIS B 820      22.590 -23.062  -2.433  1.00 92.14           N  
-ATOM   4888  CE1 HIS B 820      23.811 -23.558  -2.310  1.00 92.14           C  
-ATOM   4889  NE2 HIS B 820      24.479 -23.308  -3.423  1.00 92.14           N  
-ATOM   4890  N   ASP B 821      20.012 -24.564  -2.706  1.00 88.78           N  
-ATOM   4891  CA  ASP B 821      19.476 -25.295  -1.562  1.00 88.78           C  
-ATOM   4892  C   ASP B 821      19.564 -24.460  -0.286  1.00 88.78           C  
-ATOM   4893  CB  ASP B 821      20.219 -26.620  -1.375  1.00 88.78           C  
-ATOM   4894  O   ASP B 821      18.734 -24.603   0.614  1.00 88.78           O  
-ATOM   4895  CG  ASP B 821      19.913 -27.630  -2.467  1.00 88.78           C  
-ATOM   4896  OD1 ASP B 821      18.874 -27.495  -3.150  1.00 88.78           O  
-ATOM   4897  OD2 ASP B 821      20.715 -28.573  -2.644  1.00 88.78           O  
-ATOM   4898  N   ASN B 822      20.440 -23.543  -0.253  1.00 87.16           N  
-ATOM   4899  CA  ASN B 822      20.656 -22.765   0.963  1.00 87.16           C  
-ATOM   4900  C   ASN B 822      19.845 -21.473   0.953  1.00 87.16           C  
-ATOM   4901  CB  ASN B 822      22.144 -22.457   1.145  1.00 87.16           C  
-ATOM   4902  O   ASN B 822      19.778 -20.769   1.962  1.00 87.16           O  
-ATOM   4903  CG  ASN B 822      22.965 -23.696   1.441  1.00 87.16           C  
-ATOM   4904  ND2 ASN B 822      24.243 -23.659   1.084  1.00 87.16           N  
-ATOM   4905  OD1 ASN B 822      22.455 -24.679   1.984  1.00 87.16           O  
-ATOM   4906  N   ILE B 823      19.227 -21.187  -0.164  1.00 88.43           N  
-ATOM   4907  CA  ILE B 823      18.428 -19.970  -0.264  1.00 88.43           C  
-ATOM   4908  C   ILE B 823      16.949 -20.308  -0.087  1.00 88.43           C  
-ATOM   4909  CB  ILE B 823      18.657 -19.253  -1.613  1.00 88.43           C  
-ATOM   4910  O   ILE B 823      16.344 -20.944  -0.953  1.00 88.43           O  
-ATOM   4911  CG1 ILE B 823      20.135 -18.879  -1.775  1.00 88.43           C  
-ATOM   4912  CG2 ILE B 823      17.763 -18.015  -1.725  1.00 88.43           C  
-ATOM   4913  CD1 ILE B 823      20.482 -18.308  -3.143  1.00 88.43           C  
-ATOM   4914  N   ILE B 824      16.404 -19.878   1.073  1.00 87.43           N  
-ATOM   4915  CA  ILE B 824      15.018 -20.236   1.352  1.00 87.43           C  
-ATOM   4916  C   ILE B 824      14.174 -18.970   1.484  1.00 87.43           C  
-ATOM   4917  CB  ILE B 824      14.902 -21.094   2.631  1.00 87.43           C  
-ATOM   4918  O   ILE B 824      12.954 -19.044   1.646  1.00 87.43           O  
-ATOM   4919  CG1 ILE B 824      15.593 -20.394   3.808  1.00 87.43           C  
-ATOM   4920  CG2 ILE B 824      15.490 -22.489   2.402  1.00 87.43           C  
-ATOM   4921  CD1 ILE B 824      15.358 -21.068   5.153  1.00 87.43           C  
-ATOM   4922  N   CYS B 825      14.812 -17.870   1.332  1.00 88.79           N  
-ATOM   4923  CA  CYS B 825      14.092 -16.614   1.509  1.00 88.79           C  
-ATOM   4924  C   CYS B 825      13.641 -16.050   0.167  1.00 88.79           C  
-ATOM   4925  CB  CYS B 825      14.968 -15.592   2.233  1.00 88.79           C  
-ATOM   4926  O   CYS B 825      14.195 -16.401  -0.877  1.00 88.79           O  
-ATOM   4927  SG  CYS B 825      16.659 -15.507   1.606  1.00 88.79           S  
-ATOM   4928  N   GLY B 826      12.599 -15.225   0.189  1.00 91.70           N  
-ATOM   4929  CA  GLY B 826      12.021 -14.649  -1.015  1.00 91.70           C  
-ATOM   4930  C   GLY B 826      12.918 -13.617  -1.672  1.00 91.70           C  
-ATOM   4931  O   GLY B 826      13.733 -12.979  -1.003  1.00 91.70           O  
-ATOM   4932  N   ILE B 827      12.815 -13.505  -2.952  1.00 96.88           N  
-ATOM   4933  CA  ILE B 827      13.578 -12.563  -3.764  1.00 96.88           C  
-ATOM   4934  C   ILE B 827      12.872 -11.208  -3.782  1.00 96.88           C  
-ATOM   4935  CB  ILE B 827      13.770 -13.086  -5.205  1.00 96.88           C  
-ATOM   4936  O   ILE B 827      11.664 -11.134  -4.017  1.00 96.88           O  
-ATOM   4937  CG1 ILE B 827      14.574 -14.391  -5.197  1.00 96.88           C  
-ATOM   4938  CG2 ILE B 827      14.453 -12.028  -6.077  1.00 96.88           C  
-ATOM   4939  CD1 ILE B 827      13.750 -15.628  -5.526  1.00 96.88           C  
-ATOM   4940  N   THR B 828      13.655 -10.153  -3.568  1.00 96.76           N  
-ATOM   4941  CA  THR B 828      13.048  -8.835  -3.426  1.00 96.76           C  
-ATOM   4942  C   THR B 828      13.333  -7.973  -4.652  1.00 96.76           C  
-ATOM   4943  CB  THR B 828      13.558  -8.118  -2.162  1.00 96.76           C  
-ATOM   4944  O   THR B 828      12.604  -7.019  -4.930  1.00 96.76           O  
-ATOM   4945  CG2 THR B 828      13.100  -8.839  -0.898  1.00 96.76           C  
-ATOM   4946  OG1 THR B 828      14.990  -8.082  -2.185  1.00 96.76           O  
-ATOM   4947  N   SER B 829      14.443  -8.164  -5.318  1.00 97.71           N  
-ATOM   4948  CA  SER B 829      14.832  -7.361  -6.473  1.00 97.71           C  
-ATOM   4949  C   SER B 829      15.693  -8.166  -7.441  1.00 97.71           C  
-ATOM   4950  CB  SER B 829      15.587  -6.109  -6.026  1.00 97.71           C  
-ATOM   4951  O   SER B 829      16.402  -9.087  -7.030  1.00 97.71           O  
-ATOM   4952  OG  SER B 829      16.760  -6.457  -5.311  1.00 97.71           O  
-ATOM   4953  N   VAL B 830      15.577  -7.840  -8.736  1.00 98.18           N  
-ATOM   4954  CA  VAL B 830      16.351  -8.533  -9.760  1.00 98.18           C  
-ATOM   4955  C   VAL B 830      16.861  -7.529 -10.790  1.00 98.18           C  
-ATOM   4956  CB  VAL B 830      15.517  -9.633 -10.455  1.00 98.18           C  
-ATOM   4957  O   VAL B 830      16.194  -6.532 -11.079  1.00 98.18           O  
-ATOM   4958  CG1 VAL B 830      15.217 -10.776  -9.487  1.00 98.18           C  
-ATOM   4959  CG2 VAL B 830      14.221  -9.046 -11.012  1.00 98.18           C  
-ATOM   4960  N   SER B 831      18.074  -7.778 -11.310  1.00 98.27           N  
-ATOM   4961  CA  SER B 831      18.651  -6.965 -12.375  1.00 98.27           C  
-ATOM   4962  C   SER B 831      19.685  -7.753 -13.173  1.00 98.27           C  
-ATOM   4963  CB  SER B 831      19.293  -5.703 -11.799  1.00 98.27           C  
-ATOM   4964  O   SER B 831      20.306  -8.680 -12.649  1.00 98.27           O  
-ATOM   4965  OG  SER B 831      19.612  -4.785 -12.830  1.00 98.27           O  
-ATOM   4966  N   PHE B 832      19.829  -7.378 -14.457  1.00 98.24           N  
-ATOM   4967  CA  PHE B 832      20.825  -8.009 -15.316  1.00 98.24           C  
-ATOM   4968  C   PHE B 832      22.050  -7.116 -15.470  1.00 98.24           C  
-ATOM   4969  CB  PHE B 832      20.228  -8.324 -16.691  1.00 98.24           C  
-ATOM   4970  O   PHE B 832      21.935  -5.889 -15.470  1.00 98.24           O  
-ATOM   4971  CG  PHE B 832      19.448  -9.610 -16.734  1.00 98.24           C  
-ATOM   4972  CD1 PHE B 832      20.096 -10.836 -16.650  1.00 98.24           C  
-ATOM   4973  CD2 PHE B 832      18.065  -9.592 -16.858  1.00 98.24           C  
-ATOM   4974  CE1 PHE B 832      19.376 -12.028 -16.689  1.00 98.24           C  
-ATOM   4975  CE2 PHE B 832      17.339 -10.779 -16.899  1.00 98.24           C  
-ATOM   4976  CZ  PHE B 832      17.996 -11.996 -16.815  1.00 98.24           C  
-ATOM   4977  N   SER B 833      23.143  -7.836 -15.625  1.00 97.03           N  
-ATOM   4978  CA  SER B 833      24.283  -7.117 -16.185  1.00 97.03           C  
-ATOM   4979  C   SER B 833      24.013  -6.688 -17.624  1.00 97.03           C  
-ATOM   4980  CB  SER B 833      25.542  -7.982 -16.131  1.00 97.03           C  
-ATOM   4981  O   SER B 833      23.179  -7.284 -18.309  1.00 97.03           O  
-ATOM   4982  OG  SER B 833      25.407  -9.121 -16.965  1.00 97.03           O  
-ATOM   4983  N   LYS B 834      24.753  -5.658 -18.043  1.00 94.91           N  
-ATOM   4984  CA  LYS B 834      24.477  -5.137 -19.379  1.00 94.91           C  
-ATOM   4985  C   LYS B 834      24.871  -6.146 -20.454  1.00 94.91           C  
-ATOM   4986  CB  LYS B 834      25.216  -3.817 -19.604  1.00 94.91           C  
-ATOM   4987  O   LYS B 834      24.301  -6.150 -21.548  1.00 94.91           O  
-ATOM   4988  CG  LYS B 834      24.661  -2.653 -18.796  1.00 94.91           C  
-ATOM   4989  CD  LYS B 834      23.171  -2.460 -19.044  1.00 94.91           C  
-ATOM   4990  CE  LYS B 834      22.582  -1.403 -18.119  1.00 94.91           C  
-ATOM   4991  NZ  LYS B 834      21.106  -1.266 -18.304  1.00 94.91           N  
-ATOM   4992  N   SER B 835      25.774  -7.031 -20.169  1.00 94.62           N  
-ATOM   4993  CA  SER B 835      26.146  -8.100 -21.091  1.00 94.62           C  
-ATOM   4994  C   SER B 835      25.077  -9.186 -21.138  1.00 94.62           C  
-ATOM   4995  CB  SER B 835      27.488  -8.712 -20.688  1.00 94.62           C  
-ATOM   4996  O   SER B 835      25.011  -9.958 -22.097  1.00 94.62           O  
-ATOM   4997  OG  SER B 835      27.374  -9.413 -19.462  1.00 94.62           O  
-ATOM   4998  N   GLY B 836      24.260  -9.212 -20.071  1.00 95.33           N  
-ATOM   4999  CA  GLY B 836      23.257 -10.257 -19.940  1.00 95.33           C  
-ATOM   5000  C   GLY B 836      23.811 -11.548 -19.369  1.00 95.33           C  
-ATOM   5001  O   GLY B 836      23.085 -12.535 -19.232  1.00 95.33           O  
-ATOM   5002  N   ARG B 837      25.070 -11.495 -19.004  1.00 95.66           N  
-ATOM   5003  CA  ARG B 837      25.771 -12.695 -18.556  1.00 95.66           C  
-ATOM   5004  C   ARG B 837      25.535 -12.943 -17.070  1.00 95.66           C  
-ATOM   5005  CB  ARG B 837      27.271 -12.578 -18.836  1.00 95.66           C  
-ATOM   5006  O   ARG B 837      25.657 -14.076 -16.598  1.00 95.66           O  
-ATOM   5007  CG  ARG B 837      28.069 -13.809 -18.439  1.00 95.66           C  
-ATOM   5008  CD  ARG B 837      27.690 -15.022 -19.278  1.00 95.66           C  
-ATOM   5009  NE  ARG B 837      28.512 -16.183 -18.949  1.00 95.66           N  
-ATOM   5010  NH1 ARG B 837      27.735 -17.486 -20.692  1.00 95.66           N  
-ATOM   5011  NH2 ARG B 837      29.303 -18.319 -19.242  1.00 95.66           N  
-ATOM   5012  CZ  ARG B 837      28.515 -17.327 -19.628  1.00 95.66           C  
-ATOM   5013  N   LEU B 838      25.187 -11.940 -16.351  1.00 97.57           N  
-ATOM   5014  CA  LEU B 838      24.957 -12.063 -14.916  1.00 97.57           C  
-ATOM   5015  C   LEU B 838      23.532 -11.654 -14.556  1.00 97.57           C  
-ATOM   5016  CB  LEU B 838      25.958 -11.207 -14.136  1.00 97.57           C  
-ATOM   5017  O   LEU B 838      23.006 -10.680 -15.099  1.00 97.57           O  
-ATOM   5018  CG  LEU B 838      27.439 -11.478 -14.410  1.00 97.57           C  
-ATOM   5019  CD1 LEU B 838      28.310 -10.505 -13.621  1.00 97.57           C  
-ATOM   5020  CD2 LEU B 838      27.792 -12.920 -14.065  1.00 97.57           C  
-ATOM   5021  N   LEU B 839      22.939 -12.469 -13.739  1.00 98.27           N  
-ATOM   5022  CA  LEU B 839      21.686 -12.118 -13.079  1.00 98.27           C  
-ATOM   5023  C   LEU B 839      21.910 -11.848 -11.595  1.00 98.27           C  
-ATOM   5024  CB  LEU B 839      20.656 -13.236 -13.257  1.00 98.27           C  
-ATOM   5025  O   LEU B 839      22.409 -12.713 -10.871  1.00 98.27           O  
-ATOM   5026  CG  LEU B 839      19.331 -13.061 -12.512  1.00 98.27           C  
-ATOM   5027  CD1 LEU B 839      18.553 -11.881 -13.084  1.00 98.27           C  
-ATOM   5028  CD2 LEU B 839      18.503 -14.340 -12.587  1.00 98.27           C  
-ATOM   5029  N   LEU B 840      21.577 -10.607 -11.202  1.00 98.34           N  
-ATOM   5030  CA  LEU B 840      21.700 -10.214  -9.803  1.00 98.34           C  
-ATOM   5031  C   LEU B 840      20.342 -10.242  -9.109  1.00 98.34           C  
-ATOM   5032  CB  LEU B 840      22.315  -8.817  -9.690  1.00 98.34           C  
-ATOM   5033  O   LEU B 840      19.357  -9.725  -9.643  1.00 98.34           O  
-ATOM   5034  CG  LEU B 840      23.687  -8.626 -10.339  1.00 98.34           C  
-ATOM   5035  CD1 LEU B 840      23.542  -7.933 -11.691  1.00 98.34           C  
-ATOM   5036  CD2 LEU B 840      24.607  -7.830  -9.421  1.00 98.34           C  
-ATOM   5037  N   ALA B 841      20.352 -10.870  -7.894  1.00 98.27           N  
-ATOM   5038  CA  ALA B 841      19.088 -10.980  -7.172  1.00 98.27           C  
-ATOM   5039  C   ALA B 841      19.270 -10.652  -5.693  1.00 98.27           C  
-ATOM   5040  CB  ALA B 841      18.502 -12.381  -7.334  1.00 98.27           C  
-ATOM   5041  O   ALA B 841      20.122 -11.238  -5.021  1.00 98.27           O  
-ATOM   5042  N   GLY B 842      18.465  -9.709  -5.220  1.00 97.34           N  
-ATOM   5043  CA  GLY B 842      18.423  -9.394  -3.801  1.00 97.34           C  
-ATOM   5044  C   GLY B 842      17.450 -10.262  -3.026  1.00 97.34           C  
-ATOM   5045  O   GLY B 842      16.396 -10.637  -3.543  1.00 97.34           O  
-ATOM   5046  N   TYR B 843      17.850 -10.507  -1.757  1.00 93.72           N  
-ATOM   5047  CA  TYR B 843      17.050 -11.438  -0.969  1.00 93.72           C  
-ATOM   5048  C   TYR B 843      16.711 -10.846   0.394  1.00 93.72           C  
-ATOM   5049  CB  TYR B 843      17.791 -12.767  -0.791  1.00 93.72           C  
-ATOM   5050  O   TYR B 843      17.311  -9.854   0.814  1.00 93.72           O  
-ATOM   5051  CG  TYR B 843      17.935 -13.557  -2.070  1.00 93.72           C  
-ATOM   5052  CD1 TYR B 843      17.092 -14.631  -2.346  1.00 93.72           C  
-ATOM   5053  CD2 TYR B 843      18.914 -13.231  -3.002  1.00 93.72           C  
-ATOM   5054  CE1 TYR B 843      17.223 -15.363  -3.522  1.00 93.72           C  
-ATOM   5055  CE2 TYR B 843      19.053 -13.957  -4.181  1.00 93.72           C  
-ATOM   5056  OH  TYR B 843      18.337 -15.740  -5.597  1.00 93.72           O  
-ATOM   5057  CZ  TYR B 843      18.204 -15.019  -4.432  1.00 93.72           C  
-ATOM   5058  N   ASP B 844      15.819 -11.556   1.096  1.00 89.08           N  
-ATOM   5059  CA  ASP B 844      15.366 -11.174   2.430  1.00 89.08           C  
-ATOM   5060  C   ASP B 844      16.430 -11.482   3.481  1.00 89.08           C  
-ATOM   5061  CB  ASP B 844      14.060 -11.891   2.779  1.00 89.08           C  
-ATOM   5062  O   ASP B 844      16.406 -10.923   4.579  1.00 89.08           O  
-ATOM   5063  CG  ASP B 844      12.829 -11.162   2.270  1.00 89.08           C  
-ATOM   5064  OD1 ASP B 844      12.962 -10.042   1.732  1.00 89.08           O  
-ATOM   5065  OD2 ASP B 844      11.715 -11.711   2.411  1.00 89.08           O  
-ATOM   5066  N   ASP B 845      17.353 -12.283   3.174  1.00 89.64           N  
-ATOM   5067  CA  ASP B 845      18.379 -12.692   4.128  1.00 89.64           C  
-ATOM   5068  C   ASP B 845      19.588 -11.760   4.068  1.00 89.64           C  
-ATOM   5069  CB  ASP B 845      18.814 -14.134   3.863  1.00 89.64           C  
-ATOM   5070  O   ASP B 845      20.703 -12.158   4.411  1.00 89.64           O  
-ATOM   5071  CG  ASP B 845      19.480 -14.314   2.510  1.00 89.64           C  
-ATOM   5072  OD1 ASP B 845      19.373 -13.411   1.653  1.00 89.64           O  
-ATOM   5073  OD2 ASP B 845      20.114 -15.371   2.298  1.00 89.64           O  
-ATOM   5074  N   PHE B 846      19.483 -10.615   3.390  1.00 92.80           N  
-ATOM   5075  CA  PHE B 846      20.454  -9.528   3.431  1.00 92.80           C  
-ATOM   5076  C   PHE B 846      21.421  -9.622   2.257  1.00 92.80           C  
-ATOM   5077  CB  PHE B 846      21.229  -9.548   4.752  1.00 92.80           C  
-ATOM   5078  O   PHE B 846      22.223  -8.713   2.032  1.00 92.80           O  
-ATOM   5079  CG  PHE B 846      20.354  -9.698   5.967  1.00 92.80           C  
-ATOM   5080  CD1 PHE B 846      18.974  -9.564   5.868  1.00 92.80           C  
-ATOM   5081  CD2 PHE B 846      20.911  -9.973   7.209  1.00 92.80           C  
-ATOM   5082  CE1 PHE B 846      18.161  -9.703   6.991  1.00 92.80           C  
-ATOM   5083  CE2 PHE B 846      20.105 -10.113   8.336  1.00 92.80           C  
-ATOM   5084  CZ  PHE B 846      18.731  -9.977   8.224  1.00 92.80           C  
-ATOM   5085  N   ASN B 847      21.368 -10.752   1.578  1.00 93.84           N  
-ATOM   5086  CA  ASN B 847      22.356 -10.996   0.533  1.00 93.84           C  
-ATOM   5087  C   ASN B 847      21.800 -10.677  -0.851  1.00 93.84           C  
-ATOM   5088  CB  ASN B 847      22.847 -12.445   0.587  1.00 93.84           C  
-ATOM   5089  O   ASN B 847      20.585 -10.700  -1.057  1.00 93.84           O  
-ATOM   5090  CG  ASN B 847      23.570 -12.769   1.880  1.00 93.84           C  
-ATOM   5091  ND2 ASN B 847      23.329 -13.961   2.411  1.00 93.84           N  
-ATOM   5092  OD1 ASN B 847      24.338 -11.953   2.397  1.00 93.84           O  
-ATOM   5093  N   CYS B 848      22.770 -10.328  -1.729  1.00 96.64           N  
-ATOM   5094  CA  CYS B 848      22.518 -10.290  -3.165  1.00 96.64           C  
-ATOM   5095  C   CYS B 848      23.303 -11.379  -3.886  1.00 96.64           C  
-ATOM   5096  CB  CYS B 848      22.883  -8.921  -3.737  1.00 96.64           C  
-ATOM   5097  O   CYS B 848      24.535 -11.381  -3.862  1.00 96.64           O  
-ATOM   5098  SG  CYS B 848      22.539  -8.755  -5.503  1.00 96.64           S  
-ATOM   5099  N   ASN B 849      22.549 -12.266  -4.493  1.00 96.87           N  
-ATOM   5100  CA  ASN B 849      23.195 -13.370  -5.196  1.00 96.87           C  
-ATOM   5101  C   ASN B 849      23.425 -13.039  -6.668  1.00 96.87           C  
-ATOM   5102  CB  ASN B 849      22.368 -14.650  -5.062  1.00 96.87           C  
-ATOM   5103  O   ASN B 849      22.566 -12.439  -7.315  1.00 96.87           O  
-ATOM   5104  CG  ASN B 849      22.370 -15.201  -3.649  1.00 96.87           C  
-ATOM   5105  ND2 ASN B 849      21.332 -14.879  -2.886  1.00 96.87           N  
-ATOM   5106  OD1 ASN B 849      23.296 -15.909  -3.248  1.00 96.87           O  
-ATOM   5107  N   VAL B 850      24.582 -13.428  -7.160  1.00 97.73           N  
-ATOM   5108  CA  VAL B 850      24.958 -13.247  -8.558  1.00 97.73           C  
-ATOM   5109  C   VAL B 850      24.960 -14.598  -9.271  1.00 97.73           C  
-ATOM   5110  CB  VAL B 850      26.341 -12.571  -8.692  1.00 97.73           C  
-ATOM   5111  O   VAL B 850      25.673 -15.519  -8.867  1.00 97.73           O  
-ATOM   5112  CG1 VAL B 850      26.650 -12.261 -10.155  1.00 97.73           C  
-ATOM   5113  CG2 VAL B 850      26.395 -11.299  -7.849  1.00 97.73           C  
-ATOM   5114  N   TRP B 851      24.106 -14.659 -10.299  1.00 97.82           N  
-ATOM   5115  CA  TRP B 851      23.951 -15.918 -11.020  1.00 97.82           C  
-ATOM   5116  C   TRP B 851      24.563 -15.826 -12.414  1.00 97.82           C  
-ATOM   5117  CB  TRP B 851      22.472 -16.301 -11.122  1.00 97.82           C  
-ATOM   5118  O   TRP B 851      24.542 -14.763 -13.039  1.00 97.82           O  
-ATOM   5119  CG  TRP B 851      21.768 -16.367  -9.801  1.00 97.82           C  
-ATOM   5120  CD1 TRP B 851      21.092 -15.356  -9.175  1.00 97.82           C  
-ATOM   5121  CD2 TRP B 851      21.674 -17.506  -8.939  1.00 97.82           C  
-ATOM   5122  CE2 TRP B 851      20.925 -17.113  -7.807  1.00 97.82           C  
-ATOM   5123  CE3 TRP B 851      22.150 -18.822  -9.015  1.00 97.82           C  
-ATOM   5124  NE1 TRP B 851      20.583 -15.799  -7.976  1.00 97.82           N  
-ATOM   5125  CH2 TRP B 851      21.119 -19.272  -6.858  1.00 97.82           C  
-ATOM   5126  CZ2 TRP B 851      20.642 -17.991  -6.758  1.00 97.82           C  
-ATOM   5127  CZ3 TRP B 851      21.866 -19.694  -7.970  1.00 97.82           C  
-ATOM   5128  N   ASP B 852      25.088 -16.942 -12.805  1.00 97.15           N  
-ATOM   5129  CA  ASP B 852      25.362 -17.122 -14.227  1.00 97.15           C  
-ATOM   5130  C   ASP B 852      24.070 -17.333 -15.014  1.00 97.15           C  
-ATOM   5131  CB  ASP B 852      26.310 -18.304 -14.445  1.00 97.15           C  
-ATOM   5132  O   ASP B 852      23.447 -18.392 -14.921  1.00 97.15           O  
-ATOM   5133  CG  ASP B 852      26.797 -18.417 -15.879  1.00 97.15           C  
-ATOM   5134  OD1 ASP B 852      26.074 -17.988 -16.804  1.00 97.15           O  
-ATOM   5135  OD2 ASP B 852      27.912 -18.942 -16.086  1.00 97.15           O  
-ATOM   5136  N   ALA B 853      23.780 -16.388 -15.832  1.00 96.21           N  
-ATOM   5137  CA  ALA B 853      22.472 -16.355 -16.482  1.00 96.21           C  
-ATOM   5138  C   ALA B 853      22.303 -17.536 -17.434  1.00 96.21           C  
-ATOM   5139  CB  ALA B 853      22.284 -15.039 -17.233  1.00 96.21           C  
-ATOM   5140  O   ALA B 853      21.193 -18.041 -17.615  1.00 96.21           O  
-ATOM   5141  N   LEU B 854      23.375 -18.065 -17.973  1.00 94.79           N  
-ATOM   5142  CA  LEU B 854      23.304 -19.095 -19.004  1.00 94.79           C  
-ATOM   5143  C   LEU B 854      23.431 -20.486 -18.392  1.00 94.79           C  
-ATOM   5144  CB  LEU B 854      24.401 -18.882 -20.051  1.00 94.79           C  
-ATOM   5145  O   LEU B 854      22.937 -21.465 -18.957  1.00 94.79           O  
-ATOM   5146  CG  LEU B 854      24.313 -17.596 -20.873  1.00 94.79           C  
-ATOM   5147  CD1 LEU B 854      25.439 -17.546 -21.901  1.00 94.79           C  
-ATOM   5148  CD2 LEU B 854      22.954 -17.488 -21.555  1.00 94.79           C  
-ATOM   5149  N   LYS B 855      24.028 -20.589 -17.142  1.00 94.04           N  
-ATOM   5150  CA  LYS B 855      24.341 -21.903 -16.587  1.00 94.04           C  
-ATOM   5151  C   LYS B 855      23.583 -22.144 -15.284  1.00 94.04           C  
-ATOM   5152  CB  LYS B 855      25.845 -22.043 -16.351  1.00 94.04           C  
-ATOM   5153  O   LYS B 855      23.586 -23.257 -14.755  1.00 94.04           O  
-ATOM   5154  CG  LYS B 855      26.679 -21.989 -17.623  1.00 94.04           C  
-ATOM   5155  CD  LYS B 855      26.537 -23.268 -18.439  1.00 94.04           C  
-ATOM   5156  CE  LYS B 855      27.491 -23.284 -19.625  1.00 94.04           C  
-ATOM   5157  NZ  LYS B 855      27.388 -24.556 -20.402  1.00 94.04           N  
-ATOM   5158  N   ALA B 856      23.026 -21.145 -14.743  1.00 94.33           N  
-ATOM   5159  CA  ALA B 856      22.215 -21.176 -13.529  1.00 94.33           C  
-ATOM   5160  C   ALA B 856      23.065 -21.526 -12.311  1.00 94.33           C  
-ATOM   5161  CB  ALA B 856      21.070 -22.174 -13.679  1.00 94.33           C  
-ATOM   5162  O   ALA B 856      22.565 -22.102 -11.342  1.00 94.33           O  
-ATOM   5163  N   ASP B 857      24.390 -21.275 -12.461  1.00 94.13           N  
-ATOM   5164  CA  ASP B 857      25.292 -21.451 -11.327  1.00 94.13           C  
-ATOM   5165  C   ASP B 857      25.425 -20.158 -10.525  1.00 94.13           C  
-ATOM   5166  CB  ASP B 857      26.669 -21.918 -11.805  1.00 94.13           C  
-ATOM   5167  O   ASP B 857      25.456 -19.067 -11.097  1.00 94.13           O  
-ATOM   5168  CG  ASP B 857      26.638 -23.291 -12.452  1.00 94.13           C  
-ATOM   5169  OD1 ASP B 857      25.731 -24.092 -12.139  1.00 94.13           O  
-ATOM   5170  OD2 ASP B 857      27.531 -23.576 -13.279  1.00 94.13           O  
-ATOM   5171  N   ARG B 858      25.428 -20.366  -9.196  1.00 95.00           N  
-ATOM   5172  CA  ARG B 858      25.687 -19.216  -8.335  1.00 95.00           C  
-ATOM   5173  C   ARG B 858      27.142 -18.772  -8.437  1.00 95.00           C  
-ATOM   5174  CB  ARG B 858      25.341 -19.544  -6.881  1.00 95.00           C  
-ATOM   5175  O   ARG B 858      28.046 -19.477  -7.983  1.00 95.00           O  
-ATOM   5176  CG  ARG B 858      25.372 -18.340  -5.953  1.00 95.00           C  
-ATOM   5177  CD  ARG B 858      24.868 -18.689  -4.560  1.00 95.00           C  
-ATOM   5178  NE  ARG B 858      25.854 -19.460  -3.808  1.00 95.00           N  
-ATOM   5179  NH1 ARG B 858      24.603 -19.559  -1.868  1.00 95.00           N  
-ATOM   5180  NH2 ARG B 858      26.667 -20.553  -1.959  1.00 95.00           N  
-ATOM   5181  CZ  ARG B 858      25.706 -19.855  -2.547  1.00 95.00           C  
-ATOM   5182  N   ALA B 859      27.334 -17.593  -9.097  1.00 96.00           N  
-ATOM   5183  CA  ALA B 859      28.675 -17.108  -9.413  1.00 96.00           C  
-ATOM   5184  C   ALA B 859      29.281 -16.360  -8.230  1.00 96.00           C  
-ATOM   5185  CB  ALA B 859      28.639 -16.208 -10.646  1.00 96.00           C  
-ATOM   5186  O   ALA B 859      30.505 -16.300  -8.085  1.00 96.00           O  
-ATOM   5187  N   GLY B 860      28.473 -15.776  -7.381  1.00 95.56           N  
-ATOM   5188  CA  GLY B 860      28.967 -14.997  -6.256  1.00 95.56           C  
-ATOM   5189  C   GLY B 860      27.858 -14.445  -5.381  1.00 95.56           C  
-ATOM   5190  O   GLY B 860      26.676 -14.581  -5.706  1.00 95.56           O  
-ATOM   5191  N   VAL B 861      28.323 -13.909  -4.187  1.00 95.59           N  
-ATOM   5192  CA  VAL B 861      27.394 -13.314  -3.232  1.00 95.59           C  
-ATOM   5193  C   VAL B 861      27.907 -11.944  -2.795  1.00 95.59           C  
-ATOM   5194  CB  VAL B 861      27.188 -14.223  -1.999  1.00 95.59           C  
-ATOM   5195  O   VAL B 861      29.077 -11.799  -2.432  1.00 95.59           O  
-ATOM   5196  CG1 VAL B 861      26.222 -13.577  -1.007  1.00 95.59           C  
-ATOM   5197  CG2 VAL B 861      26.676 -15.597  -2.430  1.00 95.59           C  
-ATOM   5198  N   LEU B 862      27.014 -10.967  -2.989  1.00 96.08           N  
-ATOM   5199  CA  LEU B 862      27.308  -9.658  -2.417  1.00 96.08           C  
-ATOM   5200  C   LEU B 862      26.791  -9.561  -0.986  1.00 96.08           C  
-ATOM   5201  CB  LEU B 862      26.689  -8.548  -3.272  1.00 96.08           C  
-ATOM   5202  O   LEU B 862      25.591  -9.378  -0.766  1.00 96.08           O  
-ATOM   5203  CG  LEU B 862      26.957  -8.622  -4.776  1.00 96.08           C  
-ATOM   5204  CD1 LEU B 862      26.294  -7.448  -5.490  1.00 96.08           C  
-ATOM   5205  CD2 LEU B 862      28.456  -8.644  -5.052  1.00 96.08           C  
-ATOM   5206  N   ALA B 863      27.740  -9.673  -0.006  1.00 93.07           N  
-ATOM   5207  CA  ALA B 863      27.384  -9.633   1.410  1.00 93.07           C  
-ATOM   5208  C   ALA B 863      27.917  -8.367   2.075  1.00 93.07           C  
-ATOM   5209  CB  ALA B 863      27.916 -10.871   2.128  1.00 93.07           C  
-ATOM   5210  O   ALA B 863      29.124  -8.232   2.289  1.00 93.07           O  
-ATOM   5211  N   GLY B 864      27.108  -7.401   2.285  1.00 92.35           N  
-ATOM   5212  CA  GLY B 864      27.575  -6.168   2.898  1.00 92.35           C  
-ATOM   5213  C   GLY B 864      26.495  -5.441   3.675  1.00 92.35           C  
-ATOM   5214  O   GLY B 864      26.793  -4.610   4.535  1.00 92.35           O  
-ATOM   5215  N   HIS B 865      25.296  -5.872   3.559  1.00 96.47           N  
-ATOM   5216  CA  HIS B 865      24.187  -5.239   4.265  1.00 96.47           C  
-ATOM   5217  C   HIS B 865      23.849  -5.992   5.547  1.00 96.47           C  
-ATOM   5218  CB  HIS B 865      22.954  -5.159   3.362  1.00 96.47           C  
-ATOM   5219  O   HIS B 865      24.140  -7.184   5.667  1.00 96.47           O  
-ATOM   5220  CG  HIS B 865      23.036  -4.082   2.328  1.00 96.47           C  
-ATOM   5221  CD2 HIS B 865      23.116  -4.150   0.978  1.00 96.47           C  
-ATOM   5222  ND1 HIS B 865      23.046  -2.742   2.649  1.00 96.47           N  
-ATOM   5223  CE1 HIS B 865      23.127  -2.030   1.537  1.00 96.47           C  
-ATOM   5224  NE2 HIS B 865      23.171  -2.861   0.509  1.00 96.47           N  
-ATOM   5225  N   ASP B 866      23.280  -5.297   6.530  1.00 92.74           N  
-ATOM   5226  CA  ASP B 866      22.945  -5.874   7.828  1.00 92.74           C  
-ATOM   5227  C   ASP B 866      21.443  -6.124   7.946  1.00 92.74           C  
-ATOM   5228  CB  ASP B 866      23.417  -4.959   8.960  1.00 92.74           C  
-ATOM   5229  O   ASP B 866      20.936  -6.382   9.040  1.00 92.74           O  
-ATOM   5230  CG  ASP B 866      24.929  -4.874   9.062  1.00 92.74           C  
-ATOM   5231  OD1 ASP B 866      25.612  -5.904   8.875  1.00 92.74           O  
-ATOM   5232  OD2 ASP B 866      25.443  -3.767   9.335  1.00 92.74           O  
-ATOM   5233  N   ASN B 867      20.781  -5.839   6.903  1.00 93.71           N  
-ATOM   5234  CA  ASN B 867      19.341  -6.056   6.827  1.00 93.71           C  
-ATOM   5235  C   ASN B 867      18.899  -6.393   5.406  1.00 93.71           C  
-ATOM   5236  CB  ASN B 867      18.585  -4.829   7.341  1.00 93.71           C  
-ATOM   5237  O   ASN B 867      19.734  -6.580   4.519  1.00 93.71           O  
-ATOM   5238  CG  ASN B 867      17.284  -5.191   8.031  1.00 93.71           C  
-ATOM   5239  ND2 ASN B 867      16.957  -4.469   9.096  1.00 93.71           N  
-ATOM   5240  OD1 ASN B 867      16.580  -6.114   7.611  1.00 93.71           O  
-ATOM   5241  N   ARG B 868      17.615  -6.578   5.166  1.00 93.70           N  
-ATOM   5242  CA  ARG B 868      16.976  -6.975   3.916  1.00 93.70           C  
-ATOM   5243  C   ARG B 868      17.391  -6.056   2.772  1.00 93.70           C  
-ATOM   5244  CB  ARG B 868      15.453  -6.971   4.065  1.00 93.70           C  
-ATOM   5245  O   ARG B 868      17.373  -4.831   2.915  1.00 93.70           O  
-ATOM   5246  CG  ARG B 868      14.705  -7.207   2.762  1.00 93.70           C  
-ATOM   5247  CD  ARG B 868      13.197  -7.154   2.959  1.00 93.70           C  
-ATOM   5248  NE  ARG B 868      12.483  -7.673   1.796  1.00 93.70           N  
-ATOM   5249  NH1 ARG B 868      10.472  -6.665   2.322  1.00 93.70           N  
-ATOM   5250  NH2 ARG B 868      10.655  -7.952   0.434  1.00 93.70           N  
-ATOM   5251  CZ  ARG B 868      11.205  -7.429   1.520  1.00 93.70           C  
-ATOM   5252  N   VAL B 869      17.898  -6.685   1.579  1.00 96.87           N  
-ATOM   5253  CA  VAL B 869      18.164  -5.921   0.364  1.00 96.87           C  
-ATOM   5254  C   VAL B 869      16.867  -5.726  -0.418  1.00 96.87           C  
-ATOM   5255  CB  VAL B 869      19.222  -6.615  -0.523  1.00 96.87           C  
-ATOM   5256  O   VAL B 869      16.330  -6.678  -0.989  1.00 96.87           O  
-ATOM   5257  CG1 VAL B 869      19.467  -5.812  -1.799  1.00 96.87           C  
-ATOM   5258  CG2 VAL B 869      20.525  -6.804   0.252  1.00 96.87           C  
-ATOM   5259  N   SER B 870      16.437  -4.517  -0.431  1.00 96.61           N  
-ATOM   5260  CA  SER B 870      15.097  -4.235  -0.935  1.00 96.61           C  
-ATOM   5261  C   SER B 870      15.129  -3.870  -2.416  1.00 96.61           C  
-ATOM   5262  CB  SER B 870      14.451  -3.102  -0.137  1.00 96.61           C  
-ATOM   5263  O   SER B 870      14.124  -4.006  -3.116  1.00 96.61           O  
-ATOM   5264  OG  SER B 870      15.262  -1.940  -0.166  1.00 96.61           O  
-ATOM   5265  N   CYS B 871      16.187  -3.288  -2.916  1.00 97.33           N  
-ATOM   5266  CA  CYS B 871      16.260  -2.850  -4.306  1.00 97.33           C  
-ATOM   5267  C   CYS B 871      17.692  -2.912  -4.823  1.00 97.33           C  
-ATOM   5268  CB  CYS B 871      15.718  -1.428  -4.449  1.00 97.33           C  
-ATOM   5269  O   CYS B 871      18.642  -2.873  -4.040  1.00 97.33           O  
-ATOM   5270  SG  CYS B 871      16.509  -0.233  -3.349  1.00 97.33           S  
-ATOM   5271  N   LEU B 872      17.875  -3.157  -6.100  1.00 97.23           N  
-ATOM   5272  CA  LEU B 872      19.178  -3.124  -6.756  1.00 97.23           C  
-ATOM   5273  C   LEU B 872      19.044  -2.692  -8.212  1.00 97.23           C  
-ATOM   5274  CB  LEU B 872      19.852  -4.497  -6.679  1.00 97.23           C  
-ATOM   5275  O   LEU B 872      17.961  -2.784  -8.794  1.00 97.23           O  
-ATOM   5276  CG  LEU B 872      19.166  -5.632  -7.440  1.00 97.23           C  
-ATOM   5277  CD1 LEU B 872      19.638  -5.659  -8.890  1.00 97.23           C  
-ATOM   5278  CD2 LEU B 872      19.433  -6.971  -6.761  1.00 97.23           C  
-ATOM   5279  N   GLY B 873      20.150  -2.186  -8.751  1.00 96.96           N  
-ATOM   5280  CA  GLY B 873      20.190  -1.734 -10.133  1.00 96.96           C  
-ATOM   5281  C   GLY B 873      21.599  -1.620 -10.684  1.00 96.96           C  
-ATOM   5282  O   GLY B 873      22.556  -1.458  -9.924  1.00 96.96           O  
-ATOM   5283  N   VAL B 874      21.667  -1.770 -12.018  1.00 97.48           N  
-ATOM   5284  CA  VAL B 874      22.943  -1.678 -12.720  1.00 97.48           C  
-ATOM   5285  C   VAL B 874      22.970  -0.418 -13.581  1.00 97.48           C  
-ATOM   5286  CB  VAL B 874      23.203  -2.926 -13.593  1.00 97.48           C  
-ATOM   5287  O   VAL B 874      21.949  -0.027 -14.152  1.00 97.48           O  
-ATOM   5288  CG1 VAL B 874      24.529  -2.797 -14.340  1.00 97.48           C  
-ATOM   5289  CG2 VAL B 874      23.190  -4.190 -12.734  1.00 97.48           C  
-ATOM   5290  N   THR B 875      24.123   0.232 -13.598  1.00 96.28           N  
-ATOM   5291  CA  THR B 875      24.255   1.437 -14.410  1.00 96.28           C  
-ATOM   5292  C   THR B 875      24.181   1.097 -15.896  1.00 96.28           C  
-ATOM   5293  CB  THR B 875      25.577   2.169 -14.114  1.00 96.28           C  
-ATOM   5294  O   THR B 875      24.494  -0.026 -16.298  1.00 96.28           O  
-ATOM   5295  CG2 THR B 875      25.630   2.645 -12.666  1.00 96.28           C  
-ATOM   5296  OG1 THR B 875      26.674   1.277 -14.352  1.00 96.28           O  
-ATOM   5297  N   ASP B 876      23.824   2.101 -16.680  1.00 93.18           N  
-ATOM   5298  CA  ASP B 876      23.656   1.924 -18.119  1.00 93.18           C  
-ATOM   5299  C   ASP B 876      24.978   1.545 -18.783  1.00 93.18           C  
-ATOM   5300  CB  ASP B 876      23.095   3.198 -18.754  1.00 93.18           C  
-ATOM   5301  O   ASP B 876      24.992   0.832 -19.789  1.00 93.18           O  
-ATOM   5302  CG  ASP B 876      21.590   3.325 -18.598  1.00 93.18           C  
-ATOM   5303  OD1 ASP B 876      20.947   2.380 -18.091  1.00 93.18           O  
-ATOM   5304  OD2 ASP B 876      21.040   4.377 -18.989  1.00 93.18           O  
-ATOM   5305  N   ASP B 877      26.061   2.021 -18.262  1.00 94.90           N  
-ATOM   5306  CA  ASP B 877      27.359   1.685 -18.839  1.00 94.90           C  
-ATOM   5307  C   ASP B 877      27.854   0.334 -18.327  1.00 94.90           C  
-ATOM   5308  CB  ASP B 877      28.386   2.775 -18.524  1.00 94.90           C  
-ATOM   5309  O   ASP B 877      28.921  -0.136 -18.730  1.00 94.90           O  
-ATOM   5310  CG  ASP B 877      28.642   2.935 -17.036  1.00 94.90           C  
-ATOM   5311  OD1 ASP B 877      28.049   2.186 -16.230  1.00 94.90           O  
-ATOM   5312  OD2 ASP B 877      29.442   3.822 -16.665  1.00 94.90           O  
-ATOM   5313  N   GLY B 878      27.147  -0.277 -17.298  1.00 94.69           N  
-ATOM   5314  CA  GLY B 878      27.422  -1.615 -16.801  1.00 94.69           C  
-ATOM   5315  C   GLY B 878      28.600  -1.667 -15.847  1.00 94.69           C  
-ATOM   5316  O   GLY B 878      29.084  -2.749 -15.508  1.00 94.69           O  
-ATOM   5317  N   MET B 879      29.013  -0.587 -15.337  1.00 93.92           N  
-ATOM   5318  CA  MET B 879      30.260  -0.519 -14.581  1.00 93.92           C  
-ATOM   5319  C   MET B 879      29.995  -0.629 -13.083  1.00 93.92           C  
-ATOM   5320  CB  MET B 879      31.005   0.781 -14.886  1.00 93.92           C  
-ATOM   5321  O   MET B 879      30.908  -0.917 -12.306  1.00 93.92           O  
-ATOM   5322  CG  MET B 879      31.570   0.847 -16.296  1.00 93.92           C  
-ATOM   5323  SD  MET B 879      32.787  -0.485 -16.629  1.00 93.92           S  
-ATOM   5324  CE  MET B 879      33.250  -0.076 -18.335  1.00 93.92           C  
-ATOM   5325  N   ALA B 880      28.761  -0.398 -12.683  1.00 96.06           N  
-ATOM   5326  CA  ALA B 880      28.487  -0.402 -11.248  1.00 96.06           C  
-ATOM   5327  C   ALA B 880      27.107  -0.985 -10.955  1.00 96.06           C  
-ATOM   5328  CB  ALA B 880      28.596   1.011 -10.681  1.00 96.06           C  
-ATOM   5329  O   ALA B 880      26.205  -0.912 -11.792  1.00 96.06           O  
-ATOM   5330  N   VAL B 881      27.068  -1.574  -9.755  1.00 97.55           N  
-ATOM   5331  CA  VAL B 881      25.813  -2.065  -9.197  1.00 97.55           C  
-ATOM   5332  C   VAL B 881      25.508  -1.336  -7.890  1.00 97.55           C  
-ATOM   5333  CB  VAL B 881      25.855  -3.591  -8.959  1.00 97.55           C  
-ATOM   5334  O   VAL B 881      26.403  -1.123  -7.068  1.00 97.55           O  
-ATOM   5335  CG1 VAL B 881      24.542  -4.080  -8.351  1.00 97.55           C  
-ATOM   5336  CG2 VAL B 881      26.148  -4.326 -10.266  1.00 97.55           C  
-ATOM   5337  N   ALA B 882      24.284  -0.909  -7.786  1.00 98.26           N  
-ATOM   5338  CA  ALA B 882      23.851  -0.319  -6.522  1.00 98.26           C  
-ATOM   5339  C   ALA B 882      22.826  -1.209  -5.825  1.00 98.26           C  
-ATOM   5340  CB  ALA B 882      23.271   1.074  -6.755  1.00 98.26           C  
-ATOM   5341  O   ALA B 882      21.923  -1.748  -6.468  1.00 98.26           O  
-ATOM   5342  N   THR B 883      23.030  -1.365  -4.501  1.00 98.53           N  
-ATOM   5343  CA  THR B 883      22.052  -2.071  -3.681  1.00 98.53           C  
-ATOM   5344  C   THR B 883      21.536  -1.173  -2.561  1.00 98.53           C  
-ATOM   5345  CB  THR B 883      22.653  -3.354  -3.077  1.00 98.53           C  
-ATOM   5346  O   THR B 883      22.301  -0.410  -1.967  1.00 98.53           O  
-ATOM   5347  CG2 THR B 883      23.092  -4.323  -4.170  1.00 98.53           C  
-ATOM   5348  OG1 THR B 883      23.789  -3.011  -2.274  1.00 98.53           O  
-ATOM   5349  N   GLY B 884      20.230  -1.195  -2.302  1.00 98.11           N  
-ATOM   5350  CA  GLY B 884      19.581  -0.535  -1.181  1.00 98.11           C  
-ATOM   5351  C   GLY B 884      19.006  -1.506  -0.168  1.00 98.11           C  
-ATOM   5352  O   GLY B 884      18.490  -2.563  -0.537  1.00 98.11           O  
-ATOM   5353  N   SER B 885      19.034  -1.063   1.102  1.00 97.82           N  
-ATOM   5354  CA  SER B 885      18.665  -2.021   2.140  1.00 97.82           C  
-ATOM   5355  C   SER B 885      17.863  -1.352   3.250  1.00 97.82           C  
-ATOM   5356  CB  SER B 885      19.913  -2.681   2.727  1.00 97.82           C  
-ATOM   5357  O   SER B 885      17.828  -0.123   3.344  1.00 97.82           O  
-ATOM   5358  OG  SER B 885      19.575  -3.504   3.831  1.00 97.82           O  
-ATOM   5359  N   TRP B 886      17.280  -2.188   4.031  1.00 95.04           N  
-ATOM   5360  CA  TRP B 886      16.540  -1.747   5.209  1.00 95.04           C  
-ATOM   5361  C   TRP B 886      17.491  -1.351   6.333  1.00 95.04           C  
-ATOM   5362  CB  TRP B 886      15.590  -2.847   5.690  1.00 95.04           C  
-ATOM   5363  O   TRP B 886      17.052  -0.934   7.408  1.00 95.04           O  
-ATOM   5364  CG  TRP B 886      14.337  -2.969   4.876  1.00 95.04           C  
-ATOM   5365  CD1 TRP B 886      14.081  -2.387   3.666  1.00 95.04           C  
-ATOM   5366  CD2 TRP B 886      13.167  -3.718   5.217  1.00 95.04           C  
-ATOM   5367  CE2 TRP B 886      12.239  -3.545   4.166  1.00 95.04           C  
-ATOM   5368  CE3 TRP B 886      12.813  -4.521   6.310  1.00 95.04           C  
-ATOM   5369  NE1 TRP B 886      12.820  -2.730   3.234  1.00 95.04           N  
-ATOM   5370  CH2 TRP B 886      10.657  -4.926   5.258  1.00 95.04           C  
-ATOM   5371  CZ2 TRP B 886      10.978  -4.147   4.177  1.00 95.04           C  
-ATOM   5372  CZ3 TRP B 886      11.557  -5.118   6.319  1.00 95.04           C  
-ATOM   5373  N   ASP B 887      18.704  -1.495   6.118  1.00 94.94           N  
-ATOM   5374  CA  ASP B 887      19.679  -1.000   7.084  1.00 94.94           C  
-ATOM   5375  C   ASP B 887      19.961   0.485   6.868  1.00 94.94           C  
-ATOM   5376  CB  ASP B 887      20.979  -1.801   6.993  1.00 94.94           C  
-ATOM   5377  O   ASP B 887      20.878   1.043   7.475  1.00 94.94           O  
-ATOM   5378  CG  ASP B 887      21.675  -1.651   5.651  1.00 94.94           C  
-ATOM   5379  OD1 ASP B 887      21.247  -0.809   4.833  1.00 94.94           O  
-ATOM   5380  OD2 ASP B 887      22.658  -2.384   5.409  1.00 94.94           O  
-ATOM   5381  N   SER B 888      19.321   1.103   5.929  1.00 95.43           N  
-ATOM   5382  CA  SER B 888      19.278   2.533   5.640  1.00 95.43           C  
-ATOM   5383  C   SER B 888      20.461   2.958   4.777  1.00 95.43           C  
-ATOM   5384  CB  SER B 888      19.265   3.343   6.937  1.00 95.43           C  
-ATOM   5385  O   SER B 888      20.770   4.148   4.681  1.00 95.43           O  
-ATOM   5386  OG  SER B 888      18.172   2.964   7.756  1.00 95.43           O  
-ATOM   5387  N   PHE B 889      21.174   1.988   4.197  1.00 97.50           N  
-ATOM   5388  CA  PHE B 889      22.349   2.305   3.394  1.00 97.50           C  
-ATOM   5389  C   PHE B 889      22.158   1.852   1.952  1.00 97.50           C  
-ATOM   5390  CB  PHE B 889      23.600   1.651   3.988  1.00 97.50           C  
-ATOM   5391  O   PHE B 889      21.443   0.882   1.690  1.00 97.50           O  
-ATOM   5392  CG  PHE B 889      23.908   2.094   5.393  1.00 97.50           C  
-ATOM   5393  CD1 PHE B 889      24.270   3.409   5.659  1.00 97.50           C  
-ATOM   5394  CD2 PHE B 889      23.834   1.194   6.449  1.00 97.50           C  
-ATOM   5395  CE1 PHE B 889      24.555   3.821   6.959  1.00 97.50           C  
-ATOM   5396  CE2 PHE B 889      24.117   1.599   7.750  1.00 97.50           C  
-ATOM   5397  CZ  PHE B 889      24.479   2.913   8.003  1.00 97.50           C  
-ATOM   5398  N   LEU B 890      22.745   2.678   1.039  1.00 98.23           N  
-ATOM   5399  CA  LEU B 890      22.992   2.222  -0.324  1.00 98.23           C  
-ATOM   5400  C   LEU B 890      24.464   1.874  -0.522  1.00 98.23           C  
-ATOM   5401  CB  LEU B 890      22.569   3.293  -1.333  1.00 98.23           C  
-ATOM   5402  O   LEU B 890      25.345   2.566  -0.007  1.00 98.23           O  
-ATOM   5403  CG  LEU B 890      21.071   3.589  -1.419  1.00 98.23           C  
-ATOM   5404  CD1 LEU B 890      20.814   5.081  -1.235  1.00 98.23           C  
-ATOM   5405  CD2 LEU B 890      20.506   3.104  -2.750  1.00 98.23           C  
-ATOM   5406  N   LYS B 891      24.708   0.806  -1.223  1.00 98.24           N  
-ATOM   5407  CA  LYS B 891      26.086   0.417  -1.510  1.00 98.24           C  
-ATOM   5408  C   LYS B 891      26.331   0.334  -3.014  1.00 98.24           C  
-ATOM   5409  CB  LYS B 891      26.413  -0.924  -0.851  1.00 98.24           C  
-ATOM   5410  O   LYS B 891      25.492  -0.177  -3.758  1.00 98.24           O  
-ATOM   5411  CG  LYS B 891      26.473  -0.868   0.668  1.00 98.24           C  
-ATOM   5412  CD  LYS B 891      26.914  -2.201   1.259  1.00 98.24           C  
-ATOM   5413  CE  LYS B 891      26.951  -2.154   2.781  1.00 98.24           C  
-ATOM   5414  NZ  LYS B 891      28.190  -1.491   3.285  1.00 98.24           N  
-ATOM   5415  N   ILE B 892      27.477   0.866  -3.375  1.00 98.13           N  
-ATOM   5416  CA  ILE B 892      27.918   0.785  -4.763  1.00 98.13           C  
-ATOM   5417  C   ILE B 892      28.990  -0.294  -4.901  1.00 98.13           C  
-ATOM   5418  CB  ILE B 892      28.457   2.143  -5.266  1.00 98.13           C  
-ATOM   5419  O   ILE B 892      29.989  -0.282  -4.178  1.00 98.13           O  
-ATOM   5420  CG1 ILE B 892      27.425   3.250  -5.022  1.00 98.13           C  
-ATOM   5421  CG2 ILE B 892      28.831   2.060  -6.748  1.00 98.13           C  
-ATOM   5422  CD1 ILE B 892      26.108   3.042  -5.757  1.00 98.13           C  
-ATOM   5423  N   TRP B 893      28.675  -1.245  -5.862  1.00 97.00           N  
-ATOM   5424  CA  TRP B 893      29.564  -2.382  -6.074  1.00 97.00           C  
-ATOM   5425  C   TRP B 893      30.245  -2.294  -7.436  1.00 97.00           C  
-ATOM   5426  CB  TRP B 893      28.791  -3.699  -5.960  1.00 97.00           C  
-ATOM   5427  O   TRP B 893      29.652  -1.812  -8.404  1.00 97.00           O  
-ATOM   5428  CG  TRP B 893      27.873  -3.765  -4.776  1.00 97.00           C  
-ATOM   5429  CD1 TRP B 893      26.638  -3.192  -4.658  1.00 97.00           C  
-ATOM   5430  CD2 TRP B 893      28.122  -4.441  -3.540  1.00 97.00           C  
-ATOM   5431  CE2 TRP B 893      26.993  -4.236  -2.717  1.00 97.00           C  
-ATOM   5432  CE3 TRP B 893      29.191  -5.201  -3.048  1.00 97.00           C  
-ATOM   5433  NE1 TRP B 893      26.103  -3.472  -3.422  1.00 97.00           N  
-ATOM   5434  CH2 TRP B 893      27.962  -5.505  -0.970  1.00 97.00           C  
-ATOM   5435  CZ2 TRP B 893      26.903  -4.765  -1.427  1.00 97.00           C  
-ATOM   5436  CZ3 TRP B 893      29.100  -5.727  -1.764  1.00 97.00           C  
-ATOM   5437  N   ASN B 894      31.416  -2.701  -7.637  1.00 88.05           N  
-ATOM   5438  CA  ASN B 894      32.119  -2.929  -8.895  1.00 88.05           C  
-ATOM   5439  C   ASN B 894      33.107  -4.086  -8.785  1.00 88.05           C  
-ATOM   5440  CB  ASN B 894      32.840  -1.656  -9.345  1.00 88.05           C  
-ATOM   5441  O   ASN B 894      33.481  -4.484  -7.680  1.00 88.05           O  
-ATOM   5442  CG  ASN B 894      33.943  -1.242  -8.391  1.00 88.05           C  
-ATOM   5443  ND2 ASN B 894      34.534  -0.079  -8.638  1.00 88.05           N  
-ATOM   5444  OD1 ASN B 894      34.261  -1.961  -7.441  1.00 88.05           O  
diff --git a/modules/core/test/input/1gp2/1gp2_AB_conf5.pdb b/modules/core/test/input/1gp2/1gp2_AB_conf5.pdb
deleted file mode 100644
index 4c8f6e9b07..0000000000
--- a/modules/core/test/input/1gp2/1gp2_AB_conf5.pdb
+++ /dev/null
@@ -1,5444 +0,0 @@
-ATOM      1  N   MET A   1     -42.219 -30.822  13.503  1.00 38.03           N  
-ATOM      2  CA  MET A   1     -42.869 -29.932  12.545  1.00 38.03           C  
-ATOM      3  C   MET A   1     -41.849 -29.327  11.586  1.00 38.03           C  
-ATOM      4  CB  MET A   1     -43.628 -28.821  13.271  1.00 38.03           C  
-ATOM      5  O   MET A   1     -40.952 -28.595  12.009  1.00 38.03           O  
-ATOM      6  CG  MET A   1     -45.057 -29.191  13.634  1.00 38.03           C  
-ATOM      7  SD  MET A   1     -46.227 -27.798  13.394  1.00 38.03           S  
-ATOM      8  CE  MET A   1     -46.185 -27.055  15.048  1.00 38.03           C  
-ATOM      9  N   GLY A   2     -41.269 -30.167  10.701  1.00 38.44           N  
-ATOM     10  CA  GLY A   2     -40.312 -30.149   9.607  1.00 38.44           C  
-ATOM     11  C   GLY A   2     -40.419 -28.909   8.740  1.00 38.44           C  
-ATOM     12  O   GLY A   2     -41.464 -28.655   8.137  1.00 38.44           O  
-ATOM     13  N   CYS A   3     -39.975 -27.672   9.171  1.00 47.21           N  
-ATOM     14  CA  CYS A   3     -39.926 -26.383   8.491  1.00 47.21           C  
-ATOM     15  C   CYS A   3     -39.173 -26.491   7.171  1.00 47.21           C  
-ATOM     16  CB  CYS A   3     -39.264 -25.332   9.382  1.00 47.21           C  
-ATOM     17  O   CYS A   3     -37.991 -26.839   7.152  1.00 47.21           O  
-ATOM     18  SG  CYS A   3     -40.412 -24.494  10.496  1.00 47.21           S  
-ATOM     19  N   THR A   4     -39.834 -26.952   6.023  1.00 57.30           N  
-ATOM     20  CA  THR A   4     -39.437 -26.908   4.620  1.00 57.30           C  
-ATOM     21  C   THR A   4     -38.931 -25.518   4.246  1.00 57.30           C  
-ATOM     22  CB  THR A   4     -40.605 -27.298   3.696  1.00 57.30           C  
-ATOM     23  O   THR A   4     -39.507 -24.509   4.658  1.00 57.30           O  
-ATOM     24  CG2 THR A   4     -40.829 -28.807   3.700  1.00 57.30           C  
-ATOM     25  OG1 THR A   4     -41.800 -26.648   4.146  1.00 57.30           O  
-ATOM     26  N   LEU A   5     -37.552 -25.257   4.143  1.00 68.97           N  
-ATOM     27  CA  LEU A   5     -36.825 -24.108   3.615  1.00 68.97           C  
-ATOM     28  C   LEU A   5     -37.515 -23.552   2.373  1.00 68.97           C  
-ATOM     29  CB  LEU A   5     -35.382 -24.494   3.281  1.00 68.97           C  
-ATOM     30  O   LEU A   5     -38.044 -24.313   1.559  1.00 68.97           O  
-ATOM     31  CG  LEU A   5     -34.440 -24.689   4.470  1.00 68.97           C  
-ATOM     32  CD1 LEU A   5     -33.260 -25.570   4.073  1.00 68.97           C  
-ATOM     33  CD2 LEU A   5     -33.955 -23.342   4.995  1.00 68.97           C  
-ATOM     34  N   SER A   6     -37.934 -22.296   2.340  1.00 80.38           N  
-ATOM     35  CA  SER A   6     -38.462 -21.617   1.161  1.00 80.38           C  
-ATOM     36  C   SER A   6     -37.545 -21.804  -0.042  1.00 80.38           C  
-ATOM     37  CB  SER A   6     -38.652 -20.125   1.441  1.00 80.38           C  
-ATOM     38  O   SER A   6     -36.374 -22.159   0.112  1.00 80.38           O  
-ATOM     39  OG  SER A   6     -37.401 -19.461   1.492  1.00 80.38           O  
-ATOM     40  N   ALA A   7     -38.040 -21.948  -1.326  1.00 80.82           N  
-ATOM     41  CA  ALA A   7     -37.305 -22.063  -2.583  1.00 80.82           C  
-ATOM     42  C   ALA A   7     -36.153 -21.064  -2.639  1.00 80.82           C  
-ATOM     43  CB  ALA A   7     -38.243 -21.856  -3.769  1.00 80.82           C  
-ATOM     44  O   ALA A   7     -35.065 -21.386  -3.123  1.00 80.82           O  
-ATOM     45  N   GLU A   8     -36.341 -19.902  -2.052  1.00 78.35           N  
-ATOM     46  CA  GLU A   8     -35.341 -18.841  -1.997  1.00 78.35           C  
-ATOM     47  C   GLU A   8     -34.222 -19.186  -1.019  1.00 78.35           C  
-ATOM     48  CB  GLU A   8     -35.989 -17.510  -1.607  1.00 78.35           C  
-ATOM     49  O   GLU A   8     -33.045 -18.960  -1.308  1.00 78.35           O  
-ATOM     50  CG  GLU A   8     -36.779 -16.857  -2.731  1.00 78.35           C  
-ATOM     51  CD  GLU A   8     -37.469 -15.569  -2.311  1.00 78.35           C  
-ATOM     52  OE1 GLU A   8     -38.172 -14.956  -3.146  1.00 78.35           O  
-ATOM     53  OE2 GLU A   8     -37.304 -15.169  -1.137  1.00 78.35           O  
-ATOM     54  N   ASP A   9     -34.551 -19.787   0.124  1.00 82.99           N  
-ATOM     55  CA  ASP A   9     -33.588 -20.215   1.135  1.00 82.99           C  
-ATOM     56  C   ASP A   9     -32.775 -21.411   0.646  1.00 82.99           C  
-ATOM     57  CB  ASP A   9     -34.302 -20.562   2.443  1.00 82.99           C  
-ATOM     58  O   ASP A   9     -31.572 -21.497   0.903  1.00 82.99           O  
-ATOM     59  CG  ASP A   9     -34.770 -19.336   3.206  1.00 82.99           C  
-ATOM     60  OD1 ASP A   9     -34.286 -18.219   2.923  1.00 82.99           O  
-ATOM     61  OD2 ASP A   9     -35.629 -19.489   4.101  1.00 82.99           O  
-ATOM     62  N   LYS A  10     -33.420 -22.298  -0.128  1.00 87.17           N  
-ATOM     63  CA  LYS A  10     -32.737 -23.441  -0.727  1.00 87.17           C  
-ATOM     64  C   LYS A  10     -31.728 -22.989  -1.779  1.00 87.17           C  
-ATOM     65  CB  LYS A  10     -33.748 -24.404  -1.350  1.00 87.17           C  
-ATOM     66  O   LYS A  10     -30.620 -23.524  -1.854  1.00 87.17           O  
-ATOM     67  CG  LYS A  10     -34.511 -25.242  -0.335  1.00 87.17           C  
-ATOM     68  CD  LYS A  10     -35.443 -26.235  -1.018  1.00 87.17           C  
-ATOM     69  CE  LYS A  10     -36.262 -27.023  -0.005  1.00 87.17           C  
-ATOM     70  NZ  LYS A  10     -37.196 -27.980  -0.670  1.00 87.17           N  
-ATOM     71  N   ALA A  11     -32.095 -22.030  -2.614  1.00 86.72           N  
-ATOM     72  CA  ALA A  11     -31.219 -21.473  -3.641  1.00 86.72           C  
-ATOM     73  C   ALA A  11     -30.016 -20.773  -3.015  1.00 86.72           C  
-ATOM     74  CB  ALA A  11     -31.991 -20.502  -4.530  1.00 86.72           C  
-ATOM     75  O   ALA A  11     -28.894 -20.888  -3.514  1.00 86.72           O  
-ATOM     76  N   ALA A  12     -30.252 -20.074  -1.908  1.00 86.39           N  
-ATOM     77  CA  ALA A  12     -29.203 -19.366  -1.180  1.00 86.39           C  
-ATOM     78  C   ALA A  12     -28.198 -20.344  -0.578  1.00 86.39           C  
-ATOM     79  CB  ALA A  12     -29.810 -18.492  -0.086  1.00 86.39           C  
-ATOM     80  O   ALA A  12     -26.987 -20.118  -0.643  1.00 86.39           O  
-ATOM     81  N   VAL A  13     -28.626 -21.413  -0.008  1.00 90.14           N  
-ATOM     82  CA  VAL A  13     -27.779 -22.451   0.570  1.00 90.14           C  
-ATOM     83  C   VAL A  13     -26.955 -23.117  -0.530  1.00 90.14           C  
-ATOM     84  CB  VAL A  13     -28.613 -23.510   1.326  1.00 90.14           C  
-ATOM     85  O   VAL A  13     -25.764 -23.380  -0.349  1.00 90.14           O  
-ATOM     86  CG1 VAL A  13     -27.735 -24.684   1.754  1.00 90.14           C  
-ATOM     87  CG2 VAL A  13     -29.299 -22.881   2.537  1.00 90.14           C  
-ATOM     88  N   GLU A  14     -27.625 -23.443  -1.674  1.00 91.25           N  
-ATOM     89  CA  GLU A  14     -26.935 -24.059  -2.803  1.00 91.25           C  
-ATOM     90  C   GLU A  14     -25.827 -23.153  -3.333  1.00 91.25           C  
-ATOM     91  CB  GLU A  14     -27.925 -24.389  -3.923  1.00 91.25           C  
-ATOM     92  O   GLU A  14     -24.732 -23.623  -3.650  1.00 91.25           O  
-ATOM     93  CG  GLU A  14     -27.325 -25.217  -5.050  1.00 91.25           C  
-ATOM     94  CD  GLU A  14     -26.758 -26.548  -4.581  1.00 91.25           C  
-ATOM     95  OE1 GLU A  14     -25.812 -27.064  -5.218  1.00 91.25           O  
-ATOM     96  OE2 GLU A  14     -27.266 -27.079  -3.568  1.00 91.25           O  
-ATOM     97  N   ARG A  15     -26.134 -21.960  -3.427  1.00 89.88           N  
-ATOM     98  CA  ARG A  15     -25.136 -20.989  -3.864  1.00 89.88           C  
-ATOM     99  C   ARG A  15     -23.953 -20.949  -2.902  1.00 89.88           C  
-ATOM    100  CB  ARG A  15     -25.758 -19.596  -3.987  1.00 89.88           C  
-ATOM    101  O   ARG A  15     -22.798 -20.922  -3.332  1.00 89.88           O  
-ATOM    102  CG  ARG A  15     -24.824 -18.555  -4.583  1.00 89.88           C  
-ATOM    103  CD  ARG A  15     -25.474 -17.179  -4.638  1.00 89.88           C  
-ATOM    104  NE  ARG A  15     -26.706 -17.197  -5.422  1.00 89.88           N  
-ATOM    105  NH1 ARG A  15     -26.980 -14.903  -5.425  1.00 89.88           N  
-ATOM    106  NH2 ARG A  15     -28.502 -16.245  -6.491  1.00 89.88           N  
-ATOM    107  CZ  ARG A  15     -27.393 -16.115  -5.778  1.00 89.88           C  
-ATOM    108  N   SER A  16     -24.284 -20.821  -1.668  1.00 92.09           N  
-ATOM    109  CA  SER A  16     -23.254 -20.806  -0.634  1.00 92.09           C  
-ATOM    110  C   SER A  16     -22.388 -22.059  -0.698  1.00 92.09           C  
-ATOM    111  CB  SER A  16     -23.888 -20.684   0.753  1.00 92.09           C  
-ATOM    112  O   SER A  16     -21.166 -21.983  -0.554  1.00 92.09           O  
-ATOM    113  OG  SER A  16     -22.890 -20.609   1.756  1.00 92.09           O  
-ATOM    114  N   LYS A  17     -22.914 -23.224  -0.883  1.00 92.87           N  
-ATOM    115  CA  LYS A  17     -22.178 -24.478  -1.011  1.00 92.87           C  
-ATOM    116  C   LYS A  17     -21.238 -24.443  -2.213  1.00 92.87           C  
-ATOM    117  CB  LYS A  17     -23.144 -25.657  -1.136  1.00 92.87           C  
-ATOM    118  O   LYS A  17     -20.115 -24.947  -2.144  1.00 92.87           O  
-ATOM    119  CG  LYS A  17     -23.796 -26.065   0.177  1.00 92.87           C  
-ATOM    120  CD  LYS A  17     -24.657 -27.310   0.011  1.00 92.87           C  
-ATOM    121  CE  LYS A  17     -25.315 -27.716   1.323  1.00 92.87           C  
-ATOM    122  NZ  LYS A  17     -26.224 -28.888   1.148  1.00 92.87           N  
-ATOM    123  N   MET A  18     -21.759 -23.915  -3.307  1.00 91.76           N  
-ATOM    124  CA  MET A  18     -20.934 -23.770  -4.503  1.00 91.76           C  
-ATOM    125  C   MET A  18     -19.727 -22.880  -4.227  1.00 91.76           C  
-ATOM    126  CB  MET A  18     -21.756 -23.193  -5.657  1.00 91.76           C  
-ATOM    127  O   MET A  18     -18.613 -23.189  -4.652  1.00 91.76           O  
-ATOM    128  CG  MET A  18     -21.025 -23.193  -6.990  1.00 91.76           C  
-ATOM    129  SD  MET A  18     -22.015 -22.432  -8.335  1.00 91.76           S  
-ATOM    130  CE  MET A  18     -22.972 -23.873  -8.882  1.00 91.76           C  
-ATOM    131  N   ILE A  19     -19.919 -21.801  -3.560  1.00 91.70           N  
-ATOM    132  CA  ILE A  19     -18.853 -20.875  -3.192  1.00 91.70           C  
-ATOM    133  C   ILE A  19     -17.836 -21.586  -2.303  1.00 91.70           C  
-ATOM    134  CB  ILE A  19     -19.413 -19.626  -2.474  1.00 91.70           C  
-ATOM    135  O   ILE A  19     -16.626 -21.430  -2.485  1.00 91.70           O  
-ATOM    136  CG1 ILE A  19     -20.252 -18.785  -3.442  1.00 91.70           C  
-ATOM    137  CG2 ILE A  19     -18.276 -18.796  -1.871  1.00 91.70           C  
-ATOM    138  CD1 ILE A  19     -20.985 -17.626  -2.780  1.00 91.70           C  
-ATOM    139  N   ASP A  20     -18.290 -22.363  -1.383  1.00 91.83           N  
-ATOM    140  CA  ASP A  20     -17.406 -23.115  -0.497  1.00 91.83           C  
-ATOM    141  C   ASP A  20     -16.515 -24.068  -1.290  1.00 91.83           C  
-ATOM    142  CB  ASP A  20     -18.220 -23.894   0.537  1.00 91.83           C  
-ATOM    143  O   ASP A  20     -15.327 -24.209  -0.992  1.00 91.83           O  
-ATOM    144  CG  ASP A  20     -18.697 -23.029   1.691  1.00 91.83           C  
-ATOM    145  OD1 ASP A  20     -18.072 -21.983   1.968  1.00 91.83           O  
-ATOM    146  OD2 ASP A  20     -19.706 -23.398   2.330  1.00 91.83           O  
-ATOM    147  N   ARG A  21     -17.110 -24.759  -2.211  1.00 91.44           N  
-ATOM    148  CA  ARG A  21     -16.350 -25.668  -3.063  1.00 91.44           C  
-ATOM    149  C   ARG A  21     -15.251 -24.924  -3.814  1.00 91.44           C  
-ATOM    150  CB  ARG A  21     -17.276 -26.376  -4.055  1.00 91.44           C  
-ATOM    151  O   ARG A  21     -14.109 -25.385  -3.869  1.00 91.44           O  
-ATOM    152  CG  ARG A  21     -16.587 -27.451  -4.880  1.00 91.44           C  
-ATOM    153  CD  ARG A  21     -17.571 -28.192  -5.775  1.00 91.44           C  
-ATOM    154  NE  ARG A  21     -18.202 -27.296  -6.739  1.00 91.44           N  
-ATOM    155  NH1 ARG A  21     -19.661 -28.883  -7.570  1.00 91.44           N  
-ATOM    156  NH2 ARG A  21     -19.683 -26.749  -8.408  1.00 91.44           N  
-ATOM    157  CZ  ARG A  21     -19.181 -27.645  -7.570  1.00 91.44           C  
-ATOM    158  N   ASN A  22     -15.574 -23.765  -4.366  1.00 88.79           N  
-ATOM    159  CA  ASN A  22     -14.605 -22.952  -5.094  1.00 88.79           C  
-ATOM    160  C   ASN A  22     -13.476 -22.477  -4.185  1.00 88.79           C  
-ATOM    161  CB  ASN A  22     -15.295 -21.756  -5.754  1.00 88.79           C  
-ATOM    162  O   ASN A  22     -12.311 -22.468  -4.587  1.00 88.79           O  
-ATOM    163  CG  ASN A  22     -16.155 -22.157  -6.936  1.00 88.79           C  
-ATOM    164  ND2 ASN A  22     -17.068 -21.277  -7.330  1.00 88.79           N  
-ATOM    165  OD1 ASN A  22     -16.000 -23.248  -7.490  1.00 88.79           O  
-ATOM    166  N   LEU A  23     -13.857 -22.023  -3.004  1.00 88.39           N  
-ATOM    167  CA  LEU A  23     -12.871 -21.556  -2.035  1.00 88.39           C  
-ATOM    168  C   LEU A  23     -11.920 -22.682  -1.641  1.00 88.39           C  
-ATOM    169  CB  LEU A  23     -13.565 -20.999  -0.790  1.00 88.39           C  
-ATOM    170  O   LEU A  23     -10.722 -22.454  -1.460  1.00 88.39           O  
-ATOM    171  CG  LEU A  23     -14.330 -19.686  -0.970  1.00 88.39           C  
-ATOM    172  CD1 LEU A  23     -15.017 -19.290   0.333  1.00 88.39           C  
-ATOM    173  CD2 LEU A  23     -13.392 -18.581  -1.443  1.00 88.39           C  
-ATOM    174  N   ARG A  24     -12.414 -23.877  -1.451  1.00 86.50           N  
-ATOM    175  CA  ARG A  24     -11.594 -25.036  -1.114  1.00 86.50           C  
-ATOM    176  C   ARG A  24     -10.594 -25.341  -2.224  1.00 86.50           C  
-ATOM    177  CB  ARG A  24     -12.475 -26.260  -0.853  1.00 86.50           C  
-ATOM    178  O   ARG A  24      -9.419 -25.599  -1.955  1.00 86.50           O  
-ATOM    179  CG  ARG A  24     -11.713 -27.466  -0.326  1.00 86.50           C  
-ATOM    180  CD  ARG A  24     -12.645 -28.624   0.002  1.00 86.50           C  
-ATOM    181  NE  ARG A  24     -13.396 -29.060  -1.172  1.00 86.50           N  
-ATOM    182  NH1 ARG A  24     -14.454 -30.812  -0.100  1.00 86.50           N  
-ATOM    183  NH2 ARG A  24     -14.869 -30.399  -2.316  1.00 86.50           N  
-ATOM    184  CZ  ARG A  24     -14.238 -30.089  -1.193  1.00 86.50           C  
-ATOM    185  N   GLU A  25     -11.069 -25.358  -3.414  1.00 85.59           N  
-ATOM    186  CA  GLU A  25     -10.190 -25.569  -4.560  1.00 85.59           C  
-ATOM    187  C   GLU A  25      -9.089 -24.514  -4.612  1.00 85.59           C  
-ATOM    188  CB  GLU A  25     -10.993 -25.555  -5.863  1.00 85.59           C  
-ATOM    189  O   GLU A  25      -7.929 -24.833  -4.881  1.00 85.59           O  
-ATOM    190  CG  GLU A  25     -11.859 -26.791  -6.065  1.00 85.59           C  
-ATOM    191  CD  GLU A  25     -12.711 -26.727  -7.323  1.00 85.59           C  
-ATOM    192  OE1 GLU A  25     -13.457 -27.694  -7.600  1.00 85.59           O  
-ATOM    193  OE2 GLU A  25     -12.631 -25.703  -8.037  1.00 85.59           O  
-ATOM    194  N   ASP A  26      -9.460 -23.283  -4.366  1.00 81.59           N  
-ATOM    195  CA  ASP A  26      -8.497 -22.186  -4.323  1.00 81.59           C  
-ATOM    196  C   ASP A  26      -7.466 -22.403  -3.217  1.00 81.59           C  
-ATOM    197  CB  ASP A  26      -9.214 -20.850  -4.119  1.00 81.59           C  
-ATOM    198  O   ASP A  26      -6.285 -22.099  -3.394  1.00 81.59           O  
-ATOM    199  CG  ASP A  26      -9.957 -20.381  -5.357  1.00 81.59           C  
-ATOM    200  OD1 ASP A  26      -9.797 -20.995  -6.434  1.00 81.59           O  
-ATOM    201  OD2 ASP A  26     -10.709 -19.387  -5.255  1.00 81.59           O  
-ATOM    202  N   GLY A  27      -7.981 -22.876  -2.089  1.00 77.90           N  
-ATOM    203  CA  GLY A  27      -7.091 -23.170  -0.977  1.00 77.90           C  
-ATOM    204  C   GLY A  27      -6.054 -24.226  -1.307  1.00 77.90           C  
-ATOM    205  O   GLY A  27      -4.885 -24.092  -0.938  1.00 77.90           O  
-ATOM    206  N   GLU A  28      -6.449 -25.278  -1.954  1.00 75.95           N  
-ATOM    207  CA  GLU A  28      -5.547 -26.344  -2.379  1.00 75.95           C  
-ATOM    208  C   GLU A  28      -4.497 -25.822  -3.356  1.00 75.95           C  
-ATOM    209  CB  GLU A  28      -6.334 -27.492  -3.017  1.00 75.95           C  
-ATOM    210  O   GLU A  28      -3.322 -26.184  -3.264  1.00 75.95           O  
-ATOM    211  CG  GLU A  28      -7.156 -28.301  -2.024  1.00 75.95           C  
-ATOM    212  CD  GLU A  28      -8.031 -29.353  -2.686  1.00 75.95           C  
-ATOM    213  OE1 GLU A  28      -8.733 -30.099  -1.966  1.00 75.95           O  
-ATOM    214  OE2 GLU A  28      -8.014 -29.433  -3.935  1.00 75.95           O  
-ATOM    215  N   LYS A  29      -4.928 -25.003  -4.245  1.00 73.25           N  
-ATOM    216  CA  LYS A  29      -4.017 -24.367  -5.193  1.00 73.25           C  
-ATOM    217  C   LYS A  29      -3.013 -23.470  -4.474  1.00 73.25           C  
-ATOM    218  CB  LYS A  29      -4.799 -23.554  -6.226  1.00 73.25           C  
-ATOM    219  O   LYS A  29      -1.826 -23.469  -4.804  1.00 73.25           O  
-ATOM    220  CG  LYS A  29      -5.495 -24.400  -7.282  1.00 73.25           C  
-ATOM    221  CD  LYS A  29      -6.205 -23.534  -8.314  1.00 73.25           C  
-ATOM    222  CE  LYS A  29      -6.987 -24.379  -9.311  1.00 73.25           C  
-ATOM    223  NZ  LYS A  29      -7.692 -23.533 -10.321  1.00 73.25           N  
-ATOM    224  N   ALA A  30      -3.503 -22.728  -3.528  1.00 69.38           N  
-ATOM    225  CA  ALA A  30      -2.666 -21.816  -2.753  1.00 69.38           C  
-ATOM    226  C   ALA A  30      -1.601 -22.580  -1.970  1.00 69.38           C  
-ATOM    227  CB  ALA A  30      -3.524 -20.983  -1.803  1.00 69.38           C  
-ATOM    228  O   ALA A  30      -0.476 -22.100  -1.809  1.00 69.38           O  
-ATOM    229  N   ALA A  31      -1.954 -23.713  -1.479  1.00 68.43           N  
-ATOM    230  CA  ALA A  31      -1.056 -24.554  -0.693  1.00 68.43           C  
-ATOM    231  C   ALA A  31       0.101 -25.068  -1.545  1.00 68.43           C  
-ATOM    232  CB  ALA A  31      -1.822 -25.724  -0.080  1.00 68.43           C  
-ATOM    233  O   ALA A  31       1.196 -25.314  -1.034  1.00 68.43           O  
-ATOM    234  N   ARG A  32      -0.065 -25.180  -2.823  1.00 71.17           N  
-ATOM    235  CA  ARG A  32       0.942 -25.654  -3.767  1.00 71.17           C  
-ATOM    236  C   ARG A  32       1.661 -24.486  -4.433  1.00 71.17           C  
-ATOM    237  CB  ARG A  32       0.303 -26.551  -4.829  1.00 71.17           C  
-ATOM    238  O   ARG A  32       2.539 -24.689  -5.274  1.00 71.17           O  
-ATOM    239  CG  ARG A  32      -0.169 -27.895  -4.298  1.00 71.17           C  
-ATOM    240  CD  ARG A  32      -0.793 -28.747  -5.395  1.00 71.17           C  
-ATOM    241  NE  ARG A  32      -1.355 -29.984  -4.861  1.00 71.17           N  
-ATOM    242  NH1 ARG A  32      -2.087 -30.775  -6.905  1.00 71.17           N  
-ATOM    243  NH2 ARG A  32      -2.433 -32.007  -5.003  1.00 71.17           N  
-ATOM    244  CZ  ARG A  32      -1.957 -30.919  -5.591  1.00 71.17           C  
-ATOM    245  N   GLU A  33       1.327 -23.299  -3.929  1.00 78.47           N  
-ATOM    246  CA  GLU A  33       1.838 -22.059  -4.505  1.00 78.47           C  
-ATOM    247  C   GLU A  33       3.154 -21.647  -3.851  1.00 78.47           C  
-ATOM    248  CB  GLU A  33       0.806 -20.936  -4.364  1.00 78.47           C  
-ATOM    249  O   GLU A  33       3.293 -21.714  -2.628  1.00 78.47           O  
-ATOM    250  CG  GLU A  33       1.131 -19.696  -5.185  1.00 78.47           C  
-ATOM    251  CD  GLU A  33       0.042 -18.637  -5.127  1.00 78.47           C  
-ATOM    252  OE1 GLU A  33      -0.217 -17.976  -6.159  1.00 78.47           O  
-ATOM    253  OE2 GLU A  33      -0.556 -18.465  -4.042  1.00 78.47           O  
-ATOM    254  N   VAL A  34       4.198 -21.338  -4.579  1.00 84.64           N  
-ATOM    255  CA  VAL A  34       5.481 -20.798  -4.140  1.00 84.64           C  
-ATOM    256  C   VAL A  34       5.480 -19.278  -4.286  1.00 84.64           C  
-ATOM    257  CB  VAL A  34       6.656 -21.410  -4.935  1.00 84.64           C  
-ATOM    258  O   VAL A  34       5.325 -18.755  -5.392  1.00 84.64           O  
-ATOM    259  CG1 VAL A  34       7.987 -20.826  -4.466  1.00 84.64           C  
-ATOM    260  CG2 VAL A  34       6.658 -22.931  -4.798  1.00 84.64           C  
-ATOM    261  N   LYS A  35       5.573 -18.602  -3.102  1.00 87.20           N  
-ATOM    262  CA  LYS A  35       5.559 -17.142  -3.097  1.00 87.20           C  
-ATOM    263  C   LYS A  35       6.977 -16.579  -3.085  1.00 87.20           C  
-ATOM    264  CB  LYS A  35       4.776 -16.617  -1.893  1.00 87.20           C  
-ATOM    265  O   LYS A  35       7.747 -16.840  -2.158  1.00 87.20           O  
-ATOM    266  CG  LYS A  35       3.292 -16.952  -1.925  1.00 87.20           C  
-ATOM    267  CD  LYS A  35       2.554 -16.334  -0.745  1.00 87.20           C  
-ATOM    268  CE  LYS A  35       1.074 -16.690  -0.762  1.00 87.20           C  
-ATOM    269  NZ  LYS A  35       0.343 -16.074   0.386  1.00 87.20           N  
-ATOM    270  N   LEU A  36       7.351 -15.895  -4.188  1.00 91.35           N  
-ATOM    271  CA  LEU A  36       8.661 -15.264  -4.301  1.00 91.35           C  
-ATOM    272  C   LEU A  36       8.551 -13.752  -4.139  1.00 91.35           C  
-ATOM    273  CB  LEU A  36       9.302 -15.599  -5.651  1.00 91.35           C  
-ATOM    274  O   LEU A  36       7.746 -13.107  -4.815  1.00 91.35           O  
-ATOM    275  CG  LEU A  36       9.552 -17.081  -5.933  1.00 91.35           C  
-ATOM    276  CD1 LEU A  36      10.121 -17.265  -7.336  1.00 91.35           C  
-ATOM    277  CD2 LEU A  36      10.491 -17.674  -4.888  1.00 91.35           C  
-ATOM    278  N   LEU A  37       9.261 -13.270  -3.213  1.00 93.23           N  
-ATOM    279  CA  LEU A  37       9.272 -11.834  -2.955  1.00 93.23           C  
-ATOM    280  C   LEU A  37      10.558 -11.199  -3.472  1.00 93.23           C  
-ATOM    281  CB  LEU A  37       9.117 -11.556  -1.458  1.00 93.23           C  
-ATOM    282  O   LEU A  37      11.655 -11.581  -3.056  1.00 93.23           O  
-ATOM    283  CG  LEU A  37       9.098 -10.085  -1.040  1.00 93.23           C  
-ATOM    284  CD1 LEU A  37       7.930  -9.362  -1.701  1.00 93.23           C  
-ATOM    285  CD2 LEU A  37       9.020  -9.962   0.478  1.00 93.23           C  
-ATOM    286  N   LEU A  38      10.393 -10.219  -4.486  1.00 94.15           N  
-ATOM    287  CA  LEU A  38      11.540  -9.502  -5.035  1.00 94.15           C  
-ATOM    288  C   LEU A  38      11.799  -8.216  -4.257  1.00 94.15           C  
-ATOM    289  CB  LEU A  38      11.314  -9.182  -6.514  1.00 94.15           C  
-ATOM    290  O   LEU A  38      10.925  -7.351  -4.171  1.00 94.15           O  
-ATOM    291  CG  LEU A  38      11.250 -10.378  -7.466  1.00 94.15           C  
-ATOM    292  CD1 LEU A  38      10.775  -9.933  -8.845  1.00 94.15           C  
-ATOM    293  CD2 LEU A  38      12.609 -11.062  -7.557  1.00 94.15           C  
-ATOM    294  N   LEU A  39      12.952  -8.098  -3.657  1.00 94.94           N  
-ATOM    295  CA  LEU A  39      13.317  -6.918  -2.880  1.00 94.94           C  
-ATOM    296  C   LEU A  39      14.630  -6.324  -3.379  1.00 94.94           C  
-ATOM    297  CB  LEU A  39      13.434  -7.269  -1.395  1.00 94.94           C  
-ATOM    298  O   LEU A  39      15.437  -7.021  -3.998  1.00 94.94           O  
-ATOM    299  CG  LEU A  39      12.148  -7.725  -0.703  1.00 94.94           C  
-ATOM    300  CD1 LEU A  39      12.452  -8.216   0.709  1.00 94.94           C  
-ATOM    301  CD2 LEU A  39      11.127  -6.593  -0.672  1.00 94.94           C  
-ATOM    302  N   GLY A  40      14.890  -5.096  -3.219  1.00 93.84           N  
-ATOM    303  CA  GLY A  40      16.112  -4.392  -3.573  1.00 93.84           C  
-ATOM    304  C   GLY A  40      15.917  -2.895  -3.723  1.00 93.84           C  
-ATOM    305  O   GLY A  40      14.785  -2.407  -3.711  1.00 93.84           O  
-ATOM    306  N   ALA A  41      17.012  -2.179  -3.791  1.00 91.61           N  
-ATOM    307  CA  ALA A  41      16.958  -0.735  -3.998  1.00 91.61           C  
-ATOM    308  C   ALA A  41      16.390  -0.399  -5.374  1.00 91.61           C  
-ATOM    309  CB  ALA A  41      18.346  -0.121  -3.835  1.00 91.61           C  
-ATOM    310  O   ALA A  41      16.288  -1.271  -6.240  1.00 91.61           O  
-ATOM    311  N   GLY A  42      15.906   0.781  -5.551  1.00 87.50           N  
-ATOM    312  CA  GLY A  42      15.419   1.208  -6.854  1.00 87.50           C  
-ATOM    313  C   GLY A  42      16.428   0.996  -7.967  1.00 87.50           C  
-ATOM    314  O   GLY A  42      17.636   1.105  -7.746  1.00 87.50           O  
-ATOM    315  N   GLU A  43      15.979   0.525  -9.123  1.00 88.10           N  
-ATOM    316  CA  GLU A  43      16.745   0.355 -10.354  1.00 88.10           C  
-ATOM    317  C   GLU A  43      17.724  -0.810 -10.239  1.00 88.10           C  
-ATOM    318  CB  GLU A  43      17.498   1.642 -10.701  1.00 88.10           C  
-ATOM    319  O   GLU A  43      18.792  -0.794 -10.854  1.00 88.10           O  
-ATOM    320  CG  GLU A  43      16.590   2.807 -11.065  1.00 88.10           C  
-ATOM    321  CD  GLU A  43      17.352   4.052 -11.491  1.00 88.10           C  
-ATOM    322  OE1 GLU A  43      16.711   5.093 -11.762  1.00 88.10           O  
-ATOM    323  OE2 GLU A  43      18.599   3.985 -11.557  1.00 88.10           O  
-ATOM    324  N   SER A  44      17.535  -1.711  -9.351  1.00 93.90           N  
-ATOM    325  CA  SER A  44      18.400  -2.861  -9.108  1.00 93.90           C  
-ATOM    326  C   SER A  44      18.126  -3.980 -10.106  1.00 93.90           C  
-ATOM    327  CB  SER A  44      18.214  -3.381  -7.682  1.00 93.90           C  
-ATOM    328  O   SER A  44      18.929  -4.905 -10.246  1.00 93.90           O  
-ATOM    329  OG  SER A  44      16.862  -3.735  -7.449  1.00 93.90           O  
-ATOM    330  N   GLY A  45      16.963  -3.936 -10.887  1.00 92.48           N  
-ATOM    331  CA  GLY A  45      16.670  -4.903 -11.934  1.00 92.48           C  
-ATOM    332  C   GLY A  45      15.556  -5.864 -11.564  1.00 92.48           C  
-ATOM    333  O   GLY A  45      15.438  -6.941 -12.152  1.00 92.48           O  
-ATOM    334  N   LYS A  46      14.713  -5.558 -10.546  1.00 93.05           N  
-ATOM    335  CA  LYS A  46      13.620  -6.391 -10.054  1.00 93.05           C  
-ATOM    336  C   LYS A  46      12.536  -6.560 -11.115  1.00 93.05           C  
-ATOM    337  CB  LYS A  46      13.019  -5.791  -8.782  1.00 93.05           C  
-ATOM    338  O   LYS A  46      12.136  -7.683 -11.428  1.00 93.05           O  
-ATOM    339  CG  LYS A  46      14.001  -5.679  -7.626  1.00 93.05           C  
-ATOM    340  CD  LYS A  46      13.334  -5.118  -6.377  1.00 93.05           C  
-ATOM    341  CE  LYS A  46      12.864  -3.685  -6.588  1.00 93.05           C  
-ATOM    342  NZ  LYS A  46      13.978  -2.799  -7.043  1.00 93.05           N  
-ATOM    343  N   SER A  47      12.112  -5.421 -11.576  1.00 92.42           N  
-ATOM    344  CA  SER A  47      11.041  -5.435 -12.567  1.00 92.42           C  
-ATOM    345  C   SER A  47      11.477  -6.150 -13.841  1.00 92.42           C  
-ATOM    346  CB  SER A  47      10.598  -4.009 -12.898  1.00 92.42           C  
-ATOM    347  O   SER A  47      10.675  -6.830 -14.484  1.00 92.42           O  
-ATOM    348  OG  SER A  47      10.020  -3.386 -11.764  1.00 92.42           O  
-ATOM    349  N   THR A  48      12.780  -5.983 -14.144  1.00 93.79           N  
-ATOM    350  CA  THR A  48      13.333  -6.646 -15.320  1.00 93.79           C  
-ATOM    351  C   THR A  48      13.297  -8.162 -15.152  1.00 93.79           C  
-ATOM    352  CB  THR A  48      14.779  -6.191 -15.590  1.00 93.79           C  
-ATOM    353  O   THR A  48      12.985  -8.890 -16.097  1.00 93.79           O  
-ATOM    354  CG2 THR A  48      15.318  -6.807 -16.877  1.00 93.79           C  
-ATOM    355  OG1 THR A  48      14.809  -4.763 -15.708  1.00 93.79           O  
-ATOM    356  N   ILE A  49      13.601  -8.674 -14.021  1.00 93.31           N  
-ATOM    357  CA  ILE A  49      13.559 -10.097 -13.705  1.00 93.31           C  
-ATOM    358  C   ILE A  49      12.129 -10.616 -13.848  1.00 93.31           C  
-ATOM    359  CB  ILE A  49      14.089 -10.376 -12.281  1.00 93.31           C  
-ATOM    360  O   ILE A  49      11.910 -11.718 -14.356  1.00 93.31           O  
-ATOM    361  CG1 ILE A  49      15.598 -10.111 -12.212  1.00 93.31           C  
-ATOM    362  CG2 ILE A  49      13.766 -11.811 -11.855  1.00 93.31           C  
-ATOM    363  CD1 ILE A  49      16.176 -10.185 -10.805  1.00 93.31           C  
-ATOM    364  N   VAL A  50      11.102  -9.864 -13.421  1.00 91.59           N  
-ATOM    365  CA  VAL A  50       9.696 -10.233 -13.545  1.00 91.59           C  
-ATOM    366  C   VAL A  50       9.318 -10.340 -15.021  1.00 91.59           C  
-ATOM    367  CB  VAL A  50       8.777  -9.217 -12.832  1.00 91.59           C  
-ATOM    368  O   VAL A  50       8.636 -11.285 -15.426  1.00 91.59           O  
-ATOM    369  CG1 VAL A  50       7.309  -9.513 -13.131  1.00 91.59           C  
-ATOM    370  CG2 VAL A  50       9.032  -9.233 -11.326  1.00 91.59           C  
-ATOM    371  N   LYS A  51       9.764  -9.358 -15.854  1.00 91.93           N  
-ATOM    372  CA  LYS A  51       9.505  -9.393 -17.291  1.00 91.93           C  
-ATOM    373  C   LYS A  51      10.095 -10.649 -17.926  1.00 91.93           C  
-ATOM    374  CB  LYS A  51      10.075  -8.146 -17.969  1.00 91.93           C  
-ATOM    375  O   LYS A  51       9.493 -11.237 -18.826  1.00 91.93           O  
-ATOM    376  CG  LYS A  51       9.306  -6.869 -17.664  1.00 91.93           C  
-ATOM    377  CD  LYS A  51       9.973  -5.651 -18.289  1.00 91.93           C  
-ATOM    378  CE  LYS A  51       9.271  -4.360 -17.889  1.00 91.93           C  
-ATOM    379  NZ  LYS A  51       9.997  -3.156 -18.392  1.00 91.93           N  
-ATOM    380  N   GLN A  52      11.240 -11.047 -17.397  1.00 93.09           N  
-ATOM    381  CA  GLN A  52      11.914 -12.233 -17.917  1.00 93.09           C  
-ATOM    382  C   GLN A  52      11.086 -13.490 -17.666  1.00 93.09           C  
-ATOM    383  CB  GLN A  52      13.300 -12.382 -17.289  1.00 93.09           C  
-ATOM    384  O   GLN A  52      11.087 -14.414 -18.482  1.00 93.09           O  
-ATOM    385  CG  GLN A  52      14.320 -11.375 -17.803  1.00 93.09           C  
-ATOM    386  CD  GLN A  52      14.787 -11.680 -19.214  1.00 93.09           C  
-ATOM    387  NE2 GLN A  52      15.756 -10.910 -19.698  1.00 93.09           N  
-ATOM    388  OE1 GLN A  52      14.282 -12.601 -19.864  1.00 93.09           O  
-ATOM    389  N   MET A  53      10.372 -13.511 -16.565  1.00 90.21           N  
-ATOM    390  CA  MET A  53       9.560 -14.676 -16.223  1.00 90.21           C  
-ATOM    391  C   MET A  53       8.451 -14.886 -17.249  1.00 90.21           C  
-ATOM    392  CB  MET A  53       8.957 -14.520 -14.826  1.00 90.21           C  
-ATOM    393  O   MET A  53       8.100 -16.025 -17.565  1.00 90.21           O  
-ATOM    394  CG  MET A  53       9.988 -14.532 -13.709  1.00 90.21           C  
-ATOM    395  SD  MET A  53      11.014 -16.053 -13.715  1.00 90.21           S  
-ATOM    396  CE  MET A  53      12.655 -15.333 -13.429  1.00 90.21           C  
-ATOM    397  N   LYS A  54       7.949 -13.757 -17.716  1.00 89.64           N  
-ATOM    398  CA  LYS A  54       6.933 -13.836 -18.761  1.00 89.64           C  
-ATOM    399  C   LYS A  54       7.508 -14.429 -20.043  1.00 89.64           C  
-ATOM    400  CB  LYS A  54       6.343 -12.453 -19.042  1.00 89.64           C  
-ATOM    401  O   LYS A  54       6.862 -15.250 -20.698  1.00 89.64           O  
-ATOM    402  CG  LYS A  54       5.155 -12.468 -19.991  1.00 89.64           C  
-ATOM    403  CD  LYS A  54       4.465 -11.110 -20.046  1.00 89.64           C  
-ATOM    404  CE  LYS A  54       3.266 -11.129 -20.983  1.00 89.64           C  
-ATOM    405  NZ  LYS A  54       2.508  -9.842 -20.939  1.00 89.64           N  
-ATOM    406  N   ILE A  55       8.721 -14.064 -20.379  1.00 90.69           N  
-ATOM    407  CA  ILE A  55       9.398 -14.524 -21.586  1.00 90.69           C  
-ATOM    408  C   ILE A  55       9.775 -15.997 -21.438  1.00 90.69           C  
-ATOM    409  CB  ILE A  55      10.655 -13.677 -21.888  1.00 90.69           C  
-ATOM    410  O   ILE A  55       9.566 -16.793 -22.356  1.00 90.69           O  
-ATOM    411  CG1 ILE A  55      10.259 -12.233 -22.217  1.00 90.69           C  
-ATOM    412  CG2 ILE A  55      11.463 -14.298 -23.031  1.00 90.69           C  
-ATOM    413  CD1 ILE A  55      11.442 -11.287 -22.372  1.00 90.69           C  
-ATOM    414  N   ILE A  56      10.277 -16.428 -20.342  1.00 89.08           N  
-ATOM    415  CA  ILE A  56      10.848 -17.751 -20.114  1.00 89.08           C  
-ATOM    416  C   ILE A  56       9.731 -18.758 -19.853  1.00 89.08           C  
-ATOM    417  CB  ILE A  56      11.847 -17.740 -18.935  1.00 89.08           C  
-ATOM    418  O   ILE A  56       9.765 -19.879 -20.365  1.00 89.08           O  
-ATOM    419  CG1 ILE A  56      13.069 -16.881 -19.279  1.00 89.08           C  
-ATOM    420  CG2 ILE A  56      12.265 -19.167 -18.569  1.00 89.08           C  
-ATOM    421  CD1 ILE A  56      13.988 -16.610 -18.095  1.00 89.08           C  
-ATOM    422  N   HIS A  57       8.698 -18.463 -19.167  1.00 85.71           N  
-ATOM    423  CA  HIS A  57       7.768 -19.446 -18.624  1.00 85.71           C  
-ATOM    424  C   HIS A  57       6.366 -19.251 -19.191  1.00 85.71           C  
-ATOM    425  CB  HIS A  57       7.732 -19.364 -17.096  1.00 85.71           C  
-ATOM    426  O   HIS A  57       5.482 -20.082 -18.973  1.00 85.71           O  
-ATOM    427  CG  HIS A  57       9.022 -19.749 -16.445  1.00 85.71           C  
-ATOM    428  CD2 HIS A  57       9.904 -19.022 -15.720  1.00 85.71           C  
-ATOM    429  ND1 HIS A  57       9.535 -21.027 -16.507  1.00 85.71           N  
-ATOM    430  CE1 HIS A  57      10.680 -21.068 -15.846  1.00 85.71           C  
-ATOM    431  NE2 HIS A  57      10.926 -19.864 -15.358  1.00 85.71           N  
-ATOM    432  N   GLU A  58       6.153 -18.225 -19.943  1.00 84.96           N  
-ATOM    433  CA  GLU A  58       4.914 -18.016 -20.687  1.00 84.96           C  
-ATOM    434  C   GLU A  58       5.183 -17.904 -22.185  1.00 84.96           C  
-ATOM    435  CB  GLU A  58       4.191 -16.763 -20.187  1.00 84.96           C  
-ATOM    436  O   GLU A  58       6.138 -18.493 -22.695  1.00 84.96           O  
-ATOM    437  CG  GLU A  58       3.727 -16.856 -18.741  1.00 84.96           C  
-ATOM    438  CD  GLU A  58       2.975 -15.621 -18.271  1.00 84.96           C  
-ATOM    439  OE1 GLU A  58       2.625 -15.543 -17.072  1.00 84.96           O  
-ATOM    440  OE2 GLU A  58       2.733 -14.724 -19.110  1.00 84.96           O  
-ATOM    441  N   ALA A  59       4.275 -17.187 -22.981  1.00 85.26           N  
-ATOM    442  CA  ALA A  59       4.425 -17.098 -24.431  1.00 85.26           C  
-ATOM    443  C   ALA A  59       5.176 -15.830 -24.828  1.00 85.26           C  
-ATOM    444  CB  ALA A  59       3.059 -17.137 -25.111  1.00 85.26           C  
-ATOM    445  O   ALA A  59       5.297 -15.519 -26.015  1.00 85.26           O  
-ATOM    446  N   GLY A  60       5.844 -15.230 -23.736  1.00 88.43           N  
-ATOM    447  CA  GLY A  60       6.485 -13.958 -24.031  1.00 88.43           C  
-ATOM    448  C   GLY A  60       5.496 -12.846 -24.327  1.00 88.43           C  
-ATOM    449  O   GLY A  60       4.323 -12.937 -23.959  1.00 88.43           O  
-ATOM    450  N   TYR A  61       5.918 -11.721 -24.927  1.00 90.87           N  
-ATOM    451  CA  TYR A  61       5.077 -10.569 -25.232  1.00 90.87           C  
-ATOM    452  C   TYR A  61       4.510 -10.666 -26.643  1.00 90.87           C  
-ATOM    453  CB  TYR A  61       5.870  -9.268 -25.077  1.00 90.87           C  
-ATOM    454  O   TYR A  61       5.253 -10.874 -27.605  1.00 90.87           O  
-ATOM    455  CG  TYR A  61       6.306  -8.988 -23.659  1.00 90.87           C  
-ATOM    456  CD1 TYR A  61       5.499  -8.251 -22.794  1.00 90.87           C  
-ATOM    457  CD2 TYR A  61       7.524  -9.457 -23.182  1.00 90.87           C  
-ATOM    458  CE1 TYR A  61       5.897  -7.989 -21.487  1.00 90.87           C  
-ATOM    459  CE2 TYR A  61       7.933  -9.201 -21.877  1.00 90.87           C  
-ATOM    460  OH  TYR A  61       7.512  -8.211 -19.746  1.00 90.87           O  
-ATOM    461  CZ  TYR A  61       7.113  -8.468 -21.038  1.00 90.87           C  
-ATOM    462  N   SER A  62       3.128 -10.598 -26.676  1.00 91.90           N  
-ATOM    463  CA  SER A  62       2.487 -10.584 -27.987  1.00 91.90           C  
-ATOM    464  C   SER A  62       2.819  -9.306 -28.750  1.00 91.90           C  
-ATOM    465  CB  SER A  62       0.971 -10.723 -27.844  1.00 91.90           C  
-ATOM    466  O   SER A  62       3.265  -8.321 -28.159  1.00 91.90           O  
-ATOM    467  OG  SER A  62       0.412  -9.560 -27.258  1.00 91.90           O  
-ATOM    468  N   GLU A  63       2.704  -9.266 -30.005  1.00 91.01           N  
-ATOM    469  CA  GLU A  63       2.948  -8.082 -30.824  1.00 91.01           C  
-ATOM    470  C   GLU A  63       2.142  -6.888 -30.321  1.00 91.01           C  
-ATOM    471  CB  GLU A  63       2.613  -8.363 -32.291  1.00 91.01           C  
-ATOM    472  O   GLU A  63       2.642  -5.762 -30.292  1.00 91.01           O  
-ATOM    473  CG  GLU A  63       3.018  -7.245 -33.239  1.00 91.01           C  
-ATOM    474  CD  GLU A  63       2.791  -7.588 -34.703  1.00 91.01           C  
-ATOM    475  OE1 GLU A  63       2.685  -6.659 -35.535  1.00 91.01           O  
-ATOM    476  OE2 GLU A  63       2.718  -8.796 -35.020  1.00 91.01           O  
-ATOM    477  N   GLU A  64       0.864  -7.160 -29.936  1.00 91.13           N  
-ATOM    478  CA  GLU A  64      -0.003  -6.116 -29.398  1.00 91.13           C  
-ATOM    479  C   GLU A  64       0.568  -5.534 -28.108  1.00 91.13           C  
-ATOM    480  CB  GLU A  64      -1.412  -6.661 -29.152  1.00 91.13           C  
-ATOM    481  O   GLU A  64       0.545  -4.319 -27.905  1.00 91.13           O  
-ATOM    482  CG  GLU A  64      -2.200  -6.927 -30.426  1.00 91.13           C  
-ATOM    483  CD  GLU A  64      -2.277  -5.720 -31.347  1.00 91.13           C  
-ATOM    484  OE1 GLU A  64      -2.476  -5.901 -32.570  1.00 91.13           O  
-ATOM    485  OE2 GLU A  64      -2.137  -4.584 -30.842  1.00 91.13           O  
-ATOM    486  N   GLU A  65       1.039  -6.419 -27.233  1.00 90.46           N  
-ATOM    487  CA  GLU A  65       1.655  -6.002 -25.977  1.00 90.46           C  
-ATOM    488  C   GLU A  65       2.921  -5.189 -26.227  1.00 90.46           C  
-ATOM    489  CB  GLU A  65       1.975  -7.219 -25.104  1.00 90.46           C  
-ATOM    490  O   GLU A  65       3.179  -4.203 -25.533  1.00 90.46           O  
-ATOM    491  CG  GLU A  65       0.746  -7.886 -24.504  1.00 90.46           C  
-ATOM    492  CD  GLU A  65       1.067  -9.163 -23.744  1.00 90.46           C  
-ATOM    493  OE1 GLU A  65       0.424  -9.428 -22.703  1.00 90.46           O  
-ATOM    494  OE2 GLU A  65       1.970  -9.904 -24.192  1.00 90.46           O  
-ATOM    495  N   CYS A  66       3.674  -5.643 -27.153  1.00 92.82           N  
-ATOM    496  CA  CYS A  66       4.903  -4.944 -27.511  1.00 92.82           C  
-ATOM    497  C   CYS A  66       4.602  -3.542 -28.028  1.00 92.82           C  
-ATOM    498  CB  CYS A  66       5.679  -5.731 -28.566  1.00 92.82           C  
-ATOM    499  O   CYS A  66       5.334  -2.596 -27.731  1.00 92.82           O  
-ATOM    500  SG  CYS A  66       6.463  -7.227 -27.927  1.00 92.82           S  
-ATOM    501  N   LYS A  67       3.506  -3.378 -28.734  1.00 92.48           N  
-ATOM    502  CA  LYS A  67       3.095  -2.086 -29.275  1.00 92.48           C  
-ATOM    503  C   LYS A  67       2.796  -1.092 -28.156  1.00 92.48           C  
-ATOM    504  CB  LYS A  67       1.869  -2.246 -30.175  1.00 92.48           C  
-ATOM    505  O   LYS A  67       3.035   0.108 -28.305  1.00 92.48           O  
-ATOM    506  CG  LYS A  67       2.186  -2.787 -31.561  1.00 92.48           C  
-ATOM    507  CD  LYS A  67       0.938  -2.859 -32.432  1.00 92.48           C  
-ATOM    508  CE  LYS A  67       1.245  -3.449 -33.802  1.00 92.48           C  
-ATOM    509  NZ  LYS A  67       0.010  -3.601 -34.628  1.00 92.48           N  
-ATOM    510  N   GLN A  68       2.311  -1.595 -27.081  1.00 91.41           N  
-ATOM    511  CA  GLN A  68       1.960  -0.749 -25.945  1.00 91.41           C  
-ATOM    512  C   GLN A  68       3.207  -0.162 -25.290  1.00 91.41           C  
-ATOM    513  CB  GLN A  68       1.148  -1.538 -24.917  1.00 91.41           C  
-ATOM    514  O   GLN A  68       3.135   0.868 -24.617  1.00 91.41           O  
-ATOM    515  CG  GLN A  68      -0.245  -1.922 -25.396  1.00 91.41           C  
-ATOM    516  CD  GLN A  68      -0.980  -2.813 -24.413  1.00 91.41           C  
-ATOM    517  NE2 GLN A  68      -2.193  -3.219 -24.772  1.00 91.41           N  
-ATOM    518  OE1 GLN A  68      -0.461  -3.135 -23.339  1.00 91.41           O  
-ATOM    519  N   TYR A  69       4.355  -0.789 -25.541  1.00 93.17           N  
-ATOM    520  CA  TYR A  69       5.594  -0.366 -24.897  1.00 93.17           C  
-ATOM    521  C   TYR A  69       6.323   0.670 -25.743  1.00 93.17           C  
-ATOM    522  CB  TYR A  69       6.507  -1.570 -24.644  1.00 93.17           C  
-ATOM    523  O   TYR A  69       7.329   1.238 -25.311  1.00 93.17           O  
-ATOM    524  CG  TYR A  69       6.194  -2.312 -23.368  1.00 93.17           C  
-ATOM    525  CD1 TYR A  69       6.791  -1.947 -22.163  1.00 93.17           C  
-ATOM    526  CD2 TYR A  69       5.302  -3.379 -23.363  1.00 93.17           C  
-ATOM    527  CE1 TYR A  69       6.507  -2.629 -20.984  1.00 93.17           C  
-ATOM    528  CE2 TYR A  69       5.011  -4.068 -22.190  1.00 93.17           C  
-ATOM    529  OH  TYR A  69       5.332  -4.365 -19.844  1.00 93.17           O  
-ATOM    530  CZ  TYR A  69       5.617  -3.686 -21.008  1.00 93.17           C  
-ATOM    531  N   LYS A  70       5.801   0.843 -26.861  1.00 93.24           N  
-ATOM    532  CA  LYS A  70       6.375   1.809 -27.793  1.00 93.24           C  
-ATOM    533  C   LYS A  70       6.478   3.192 -27.157  1.00 93.24           C  
-ATOM    534  CB  LYS A  70       5.541   1.881 -29.073  1.00 93.24           C  
-ATOM    535  O   LYS A  70       7.522   3.842 -27.237  1.00 93.24           O  
-ATOM    536  CG  LYS A  70       6.160   2.739 -30.167  1.00 93.24           C  
-ATOM    537  CD  LYS A  70       5.332   2.697 -31.445  1.00 93.24           C  
-ATOM    538  CE  LYS A  70       5.946   3.561 -32.538  1.00 93.24           C  
-ATOM    539  NZ  LYS A  70       5.161   3.489 -33.808  1.00 93.24           N  
-ATOM    540  N   ALA A  71       5.463   3.619 -26.540  1.00 91.57           N  
-ATOM    541  CA  ALA A  71       5.430   4.930 -25.896  1.00 91.57           C  
-ATOM    542  C   ALA A  71       6.490   5.031 -24.803  1.00 91.57           C  
-ATOM    543  CB  ALA A  71       4.044   5.203 -25.316  1.00 91.57           C  
-ATOM    544  O   ALA A  71       7.141   6.068 -24.654  1.00 91.57           O  
-ATOM    545  N   VAL A  72       6.651   3.974 -24.154  1.00 93.31           N  
-ATOM    546  CA  VAL A  72       7.598   3.941 -23.045  1.00 93.31           C  
-ATOM    547  C   VAL A  72       9.026   4.020 -23.581  1.00 93.31           C  
-ATOM    548  CB  VAL A  72       7.422   2.670 -22.185  1.00 93.31           C  
-ATOM    549  O   VAL A  72       9.860   4.749 -23.039  1.00 93.31           O  
-ATOM    550  CG1 VAL A  72       8.420   2.657 -21.029  1.00 93.31           C  
-ATOM    551  CG2 VAL A  72       5.990   2.576 -21.660  1.00 93.31           C  
-ATOM    552  N   VAL A  73       9.329   3.246 -24.594  1.00 94.94           N  
-ATOM    553  CA  VAL A  73      10.647   3.241 -25.221  1.00 94.94           C  
-ATOM    554  C   VAL A  73      10.995   4.648 -25.702  1.00 94.94           C  
-ATOM    555  CB  VAL A  73      10.712   2.244 -26.399  1.00 94.94           C  
-ATOM    556  O   VAL A  73      12.097   5.142 -25.449  1.00 94.94           O  
-ATOM    557  CG1 VAL A  73      12.016   2.411 -27.176  1.00 94.94           C  
-ATOM    558  CG2 VAL A  73      10.567   0.810 -25.892  1.00 94.94           C  
-ATOM    559  N   TYR A  74      10.058   5.292 -26.340  1.00 94.09           N  
-ATOM    560  CA  TYR A  74      10.256   6.650 -26.835  1.00 94.09           C  
-ATOM    561  C   TYR A  74      10.531   7.614 -25.688  1.00 94.09           C  
-ATOM    562  CB  TYR A  74       9.032   7.118 -27.628  1.00 94.09           C  
-ATOM    563  O   TYR A  74      11.450   8.434 -25.764  1.00 94.09           O  
-ATOM    564  CG  TYR A  74       8.911   6.479 -28.990  1.00 94.09           C  
-ATOM    565  CD1 TYR A  74       9.935   5.687 -29.504  1.00 94.09           C  
-ATOM    566  CD2 TYR A  74       7.772   6.666 -29.767  1.00 94.09           C  
-ATOM    567  CE1 TYR A  74       9.829   5.098 -30.759  1.00 94.09           C  
-ATOM    568  CE2 TYR A  74       7.655   6.082 -31.024  1.00 94.09           C  
-ATOM    569  OH  TYR A  74       8.575   4.720 -32.754  1.00 94.09           O  
-ATOM    570  CZ  TYR A  74       8.686   5.300 -31.510  1.00 94.09           C  
-ATOM    571  N   SER A  75       9.722   7.496 -24.734  1.00 92.40           N  
-ATOM    572  CA  SER A  75       9.872   8.355 -23.565  1.00 92.40           C  
-ATOM    573  C   SER A  75      11.238   8.168 -22.913  1.00 92.40           C  
-ATOM    574  CB  SER A  75       8.769   8.071 -22.545  1.00 92.40           C  
-ATOM    575  O   SER A  75      11.911   9.145 -22.576  1.00 92.40           O  
-ATOM    576  OG  SER A  75       8.967   8.830 -21.365  1.00 92.40           O  
-ATOM    577  N   ASN A  76      11.647   6.872 -22.618  1.00 94.10           N  
-ATOM    578  CA  ASN A  76      12.941   6.580 -22.012  1.00 94.10           C  
-ATOM    579  C   ASN A  76      14.090   7.139 -22.845  1.00 94.10           C  
-ATOM    580  CB  ASN A  76      13.113   5.072 -21.814  1.00 94.10           C  
-ATOM    581  O   ASN A  76      15.074   7.640 -22.298  1.00 94.10           O  
-ATOM    582  CG  ASN A  76      12.255   4.529 -20.689  1.00 94.10           C  
-ATOM    583  ND2 ASN A  76      11.657   5.426 -19.913  1.00 94.10           N  
-ATOM    584  OD1 ASN A  76      12.131   3.314 -20.517  1.00 94.10           O  
-ATOM    585  N   THR A  77      13.952   7.094 -24.257  1.00 95.32           N  
-ATOM    586  CA  THR A  77      14.967   7.589 -25.179  1.00 95.32           C  
-ATOM    587  C   THR A  77      15.093   9.107 -25.082  1.00 95.32           C  
-ATOM    588  CB  THR A  77      14.645   7.190 -26.631  1.00 95.32           C  
-ATOM    589  O   THR A  77      16.198   9.636 -24.946  1.00 95.32           O  
-ATOM    590  CG2 THR A  77      15.737   7.660 -27.587  1.00 95.32           C  
-ATOM    591  OG1 THR A  77      14.534   5.764 -26.715  1.00 95.32           O  
-ATOM    592  N   ILE A  78      14.011   9.783 -25.118  1.00 94.01           N  
-ATOM    593  CA  ILE A  78      13.962  11.240 -25.074  1.00 94.01           C  
-ATOM    594  C   ILE A  78      14.475  11.733 -23.722  1.00 94.01           C  
-ATOM    595  CB  ILE A  78      12.532  11.766 -25.328  1.00 94.01           C  
-ATOM    596  O   ILE A  78      15.303  12.645 -23.660  1.00 94.01           O  
-ATOM    597  CG1 ILE A  78      12.094  11.450 -26.763  1.00 94.01           C  
-ATOM    598  CG2 ILE A  78      12.452  13.270 -25.050  1.00 94.01           C  
-ATOM    599  CD1 ILE A  78      10.613  11.688 -27.025  1.00 94.01           C  
-ATOM    600  N   GLN A  79      14.042  11.127 -22.685  1.00 93.28           N  
-ATOM    601  CA  GLN A  79      14.438  11.516 -21.335  1.00 93.28           C  
-ATOM    602  C   GLN A  79      15.935  11.309 -21.121  1.00 93.28           C  
-ATOM    603  CB  GLN A  79      13.645  10.726 -20.294  1.00 93.28           C  
-ATOM    604  O   GLN A  79      16.580  12.089 -20.417  1.00 93.28           O  
-ATOM    605  CG  GLN A  79      12.192  11.165 -20.163  1.00 93.28           C  
-ATOM    606  CD  GLN A  79      11.421  10.348 -19.144  1.00 93.28           C  
-ATOM    607  NE2 GLN A  79      10.170  10.726 -18.905  1.00 93.28           N  
-ATOM    608  OE1 GLN A  79      11.945   9.384 -18.577  1.00 93.28           O  
-ATOM    609  N   SER A  80      16.470  10.243 -21.693  1.00 95.93           N  
-ATOM    610  CA  SER A  80      17.892   9.942 -21.562  1.00 95.93           C  
-ATOM    611  C   SER A  80      18.749  11.025 -22.209  1.00 95.93           C  
-ATOM    612  CB  SER A  80      18.213   8.584 -22.189  1.00 95.93           C  
-ATOM    613  O   SER A  80      19.722  11.492 -21.614  1.00 95.93           O  
-ATOM    614  OG  SER A  80      17.621   7.534 -21.444  1.00 95.93           O  
-ATOM    615  N   ILE A  81      18.381  11.464 -23.425  1.00 96.86           N  
-ATOM    616  CA  ILE A  81      19.166  12.481 -24.117  1.00 96.86           C  
-ATOM    617  C   ILE A  81      18.985  13.831 -23.427  1.00 96.86           C  
-ATOM    618  CB  ILE A  81      18.770  12.583 -25.608  1.00 96.86           C  
-ATOM    619  O   ILE A  81      19.933  14.613 -23.320  1.00 96.86           O  
-ATOM    620  CG1 ILE A  81      19.772  13.460 -26.367  1.00 96.86           C  
-ATOM    621  CG2 ILE A  81      17.346  13.127 -25.752  1.00 96.86           C  
-ATOM    622  CD1 ILE A  81      21.193  12.915 -26.372  1.00 96.86           C  
-ATOM    623  N   ILE A  82      17.902  14.151 -22.942  1.00 95.30           N  
-ATOM    624  CA  ILE A  82      17.649  15.381 -22.200  1.00 95.30           C  
-ATOM    625  C   ILE A  82      18.502  15.404 -20.934  1.00 95.30           C  
-ATOM    626  CB  ILE A  82      16.153  15.527 -21.841  1.00 95.30           C  
-ATOM    627  O   ILE A  82      19.092  16.432 -20.594  1.00 95.30           O  
-ATOM    628  CG1 ILE A  82      15.341  15.909 -23.084  1.00 95.30           C  
-ATOM    629  CG2 ILE A  82      15.963  16.558 -20.725  1.00 95.30           C  
-ATOM    630  CD1 ILE A  82      13.844  16.031 -22.832  1.00 95.30           C  
-ATOM    631  N   ALA A  83      18.479  14.261 -20.247  1.00 95.31           N  
-ATOM    632  CA  ALA A  83      19.289  14.155 -19.035  1.00 95.31           C  
-ATOM    633  C   ALA A  83      20.758  14.439 -19.332  1.00 95.31           C  
-ATOM    634  CB  ALA A  83      19.132  12.771 -18.410  1.00 95.31           C  
-ATOM    635  O   ALA A  83      21.430  15.132 -18.564  1.00 95.31           O  
-ATOM    636  N   ILE A  84      21.258  13.958 -20.442  1.00 97.45           N  
-ATOM    637  CA  ILE A  84      22.650  14.148 -20.835  1.00 97.45           C  
-ATOM    638  C   ILE A  84      22.902  15.621 -21.147  1.00 97.45           C  
-ATOM    639  CB  ILE A  84      23.019  13.271 -22.053  1.00 97.45           C  
-ATOM    640  O   ILE A  84      23.889  16.200 -20.686  1.00 97.45           O  
-ATOM    641  CG1 ILE A  84      22.947  11.785 -21.683  1.00 97.45           C  
-ATOM    642  CG2 ILE A  84      24.409  13.638 -22.581  1.00 97.45           C  
-ATOM    643  CD1 ILE A  84      23.072  10.844 -22.873  1.00 97.45           C  
-ATOM    644  N   ILE A  85      22.027  16.240 -21.886  1.00 96.83           N  
-ATOM    645  CA  ILE A  85      22.173  17.631 -22.298  1.00 96.83           C  
-ATOM    646  C   ILE A  85      22.104  18.542 -21.075  1.00 96.83           C  
-ATOM    647  CB  ILE A  85      21.092  18.033 -23.327  1.00 96.83           C  
-ATOM    648  O   ILE A  85      22.881  19.492 -20.956  1.00 96.83           O  
-ATOM    649  CG1 ILE A  85      21.239  17.203 -24.608  1.00 96.83           C  
-ATOM    650  CG2 ILE A  85      21.168  19.531 -23.633  1.00 96.83           C  
-ATOM    651  CD1 ILE A  85      22.594  17.348 -25.287  1.00 96.83           C  
-ATOM    652  N   ARG A  86      21.261  18.346 -20.185  1.00 95.36           N  
-ATOM    653  CA  ARG A  86      21.170  19.110 -18.945  1.00 95.36           C  
-ATOM    654  C   ARG A  86      22.449  18.977 -18.125  1.00 95.36           C  
-ATOM    655  CB  ARG A  86      19.967  18.651 -18.118  1.00 95.36           C  
-ATOM    656  O   ARG A  86      22.932  19.958 -17.556  1.00 95.36           O  
-ATOM    657  CG  ARG A  86      18.633  19.168 -18.632  1.00 95.36           C  
-ATOM    658  CD  ARG A  86      17.478  18.730 -17.742  1.00 95.36           C  
-ATOM    659  NE  ARG A  86      16.197  19.224 -18.240  1.00 95.36           N  
-ATOM    660  NH1 ARG A  86      14.911  17.865 -16.885  1.00 95.36           N  
-ATOM    661  NH2 ARG A  86      13.905  19.321 -18.341  1.00 95.36           N  
-ATOM    662  CZ  ARG A  86      15.007  18.802 -17.821  1.00 95.36           C  
-ATOM    663  N   ALA A  87      22.939  17.791 -18.051  1.00 95.50           N  
-ATOM    664  CA  ALA A  87      24.162  17.521 -17.299  1.00 95.50           C  
-ATOM    665  C   ALA A  87      25.352  18.260 -17.904  1.00 95.50           C  
-ATOM    666  CB  ALA A  87      24.439  16.020 -17.254  1.00 95.50           C  
-ATOM    667  O   ALA A  87      26.286  18.634 -17.191  1.00 95.50           O  
-ATOM    668  N   MET A  88      25.315  18.382 -19.193  1.00 96.53           N  
-ATOM    669  CA  MET A  88      26.369  19.126 -19.877  1.00 96.53           C  
-ATOM    670  C   MET A  88      26.472  20.548 -19.334  1.00 96.53           C  
-ATOM    671  CB  MET A  88      26.113  19.159 -21.385  1.00 96.53           C  
-ATOM    672  O   MET A  88      27.574  21.070 -19.156  1.00 96.53           O  
-ATOM    673  CG  MET A  88      26.401  17.841 -22.085  1.00 96.53           C  
-ATOM    674  SD  MET A  88      26.092  17.923 -23.892  1.00 96.53           S  
-ATOM    675  CE  MET A  88      27.457  19.005 -24.401  1.00 96.53           C  
-ATOM    676  N   GLY A  89      25.357  21.200 -19.084  1.00 93.25           N  
-ATOM    677  CA  GLY A  89      25.329  22.516 -18.467  1.00 93.25           C  
-ATOM    678  C   GLY A  89      25.929  22.535 -17.073  1.00 93.25           C  
-ATOM    679  O   GLY A  89      26.736  23.409 -16.751  1.00 93.25           O  
-ATOM    680  N   ARG A  90      25.619  21.551 -16.282  1.00 92.62           N  
-ATOM    681  CA  ARG A  90      26.084  21.433 -14.904  1.00 92.62           C  
-ATOM    682  C   ARG A  90      27.577  21.124 -14.854  1.00 92.62           C  
-ATOM    683  CB  ARG A  90      25.299  20.349 -14.162  1.00 92.62           C  
-ATOM    684  O   ARG A  90      28.302  21.672 -14.021  1.00 92.62           O  
-ATOM    685  CG  ARG A  90      23.863  20.736 -13.846  1.00 92.62           C  
-ATOM    686  CD  ARG A  90      23.134  19.631 -13.094  1.00 92.62           C  
-ATOM    687  NE  ARG A  90      21.725  19.956 -12.892  1.00 92.62           N  
-ATOM    688  NH1 ARG A  90      21.220  17.996 -11.778  1.00 92.62           N  
-ATOM    689  NH2 ARG A  90      19.589  19.565 -12.143  1.00 92.62           N  
-ATOM    690  CZ  ARG A  90      20.848  19.172 -12.271  1.00 92.62           C  
-ATOM    691  N   LEU A  91      28.014  20.288 -15.802  1.00 94.57           N  
-ATOM    692  CA  LEU A  91      29.395  19.818 -15.814  1.00 94.57           C  
-ATOM    693  C   LEU A  91      30.270  20.720 -16.678  1.00 94.57           C  
-ATOM    694  CB  LEU A  91      29.467  18.376 -16.324  1.00 94.57           C  
-ATOM    695  O   LEU A  91      31.475  20.492 -16.800  1.00 94.57           O  
-ATOM    696  CG  LEU A  91      28.797  17.314 -15.451  1.00 94.57           C  
-ATOM    697  CD1 LEU A  91      28.814  15.961 -16.156  1.00 94.57           C  
-ATOM    698  CD2 LEU A  91      29.487  17.224 -14.094  1.00 94.57           C  
-ATOM    699  N   LYS A  92      29.618  21.742 -17.189  1.00 95.37           N  
-ATOM    700  CA  LYS A  92      30.293  22.753 -17.998  1.00 95.37           C  
-ATOM    701  C   LYS A  92      31.034  22.115 -19.170  1.00 95.37           C  
-ATOM    702  CB  LYS A  92      31.266  23.563 -17.141  1.00 95.37           C  
-ATOM    703  O   LYS A  92      32.200  22.428 -19.418  1.00 95.37           O  
-ATOM    704  CG  LYS A  92      30.598  24.359 -16.030  1.00 95.37           C  
-ATOM    705  CD  LYS A  92      31.595  25.258 -15.309  1.00 95.37           C  
-ATOM    706  CE  LYS A  92      30.920  26.083 -14.221  1.00 95.37           C  
-ATOM    707  NZ  LYS A  92      31.889  26.981 -13.526  1.00 95.37           N  
-ATOM    708  N   ILE A  93      30.423  21.193 -19.921  1.00 95.89           N  
-ATOM    709  CA  ILE A  93      30.939  20.541 -21.120  1.00 95.89           C  
-ATOM    710  C   ILE A  93      30.383  21.232 -22.363  1.00 95.89           C  
-ATOM    711  CB  ILE A  93      30.587  19.036 -21.141  1.00 95.89           C  
-ATOM    712  O   ILE A  93      29.167  21.377 -22.509  1.00 95.89           O  
-ATOM    713  CG1 ILE A  93      31.182  18.332 -19.916  1.00 95.89           C  
-ATOM    714  CG2 ILE A  93      31.075  18.385 -22.438  1.00 95.89           C  
-ATOM    715  CD1 ILE A  93      30.767  16.874 -19.778  1.00 95.89           C  
-ATOM    716  N   ASP A  94      31.291  21.694 -23.205  1.00 96.25           N  
-ATOM    717  CA  ASP A  94      30.882  22.353 -24.441  1.00 96.25           C  
-ATOM    718  C   ASP A  94      30.562  21.331 -25.529  1.00 96.25           C  
-ATOM    719  CB  ASP A  94      31.973  23.312 -24.924  1.00 96.25           C  
-ATOM    720  O   ASP A  94      31.105  20.224 -25.527  1.00 96.25           O  
-ATOM    721  CG  ASP A  94      32.180  24.492 -23.992  1.00 96.25           C  
-ATOM    722  OD1 ASP A  94      31.193  24.992 -23.412  1.00 96.25           O  
-ATOM    723  OD2 ASP A  94      33.342  24.929 -23.838  1.00 96.25           O  
-ATOM    724  N   PHE A  95      29.688  21.804 -26.423  1.00 97.14           N  
-ATOM    725  CA  PHE A  95      29.425  20.953 -27.577  1.00 97.14           C  
-ATOM    726  C   PHE A  95      30.661  20.845 -28.463  1.00 97.14           C  
-ATOM    727  CB  PHE A  95      28.243  21.494 -28.388  1.00 97.14           C  
-ATOM    728  O   PHE A  95      31.443  21.793 -28.563  1.00 97.14           O  
-ATOM    729  CG  PHE A  95      26.920  21.384 -27.679  1.00 97.14           C  
-ATOM    730  CD1 PHE A  95      26.310  20.148 -27.504  1.00 97.14           C  
-ATOM    731  CD2 PHE A  95      26.286  22.518 -27.189  1.00 97.14           C  
-ATOM    732  CE1 PHE A  95      25.085  20.044 -26.848  1.00 97.14           C  
-ATOM    733  CE2 PHE A  95      25.062  22.422 -26.532  1.00 97.14           C  
-ATOM    734  CZ  PHE A  95      24.463  21.184 -26.364  1.00 97.14           C  
-ATOM    735  N   GLY A  96      30.901  19.629 -28.993  1.00 95.07           N  
-ATOM    736  CA  GLY A  96      31.970  19.480 -29.968  1.00 95.07           C  
-ATOM    737  C   GLY A  96      31.780  20.345 -31.199  1.00 95.07           C  
-ATOM    738  O   GLY A  96      32.742  20.913 -31.721  1.00 95.07           O  
-ATOM    739  N   ASP A  97      30.530  20.485 -31.639  1.00 95.05           N  
-ATOM    740  CA  ASP A  97      30.070  21.354 -32.718  1.00 95.05           C  
-ATOM    741  C   ASP A  97      29.135  22.439 -32.190  1.00 95.05           C  
-ATOM    742  CB  ASP A  97      29.366  20.536 -33.803  1.00 95.05           C  
-ATOM    743  O   ASP A  97      28.093  22.137 -31.605  1.00 95.05           O  
-ATOM    744  CG  ASP A  97      29.060  21.344 -35.051  1.00 95.05           C  
-ATOM    745  OD1 ASP A  97      29.064  22.592 -34.986  1.00 95.05           O  
-ATOM    746  OD2 ASP A  97      28.809  20.728 -36.109  1.00 95.05           O  
-ATOM    747  N   ALA A  98      29.458  23.712 -32.424  1.00 92.92           N  
-ATOM    748  CA  ALA A  98      28.708  24.852 -31.903  1.00 92.92           C  
-ATOM    749  C   ALA A  98      27.268  24.837 -32.406  1.00 92.92           C  
-ATOM    750  CB  ALA A  98      29.391  26.161 -32.291  1.00 92.92           C  
-ATOM    751  O   ALA A  98      26.370  25.374 -31.753  1.00 92.92           O  
-ATOM    752  N   ALA A  99      27.020  24.188 -33.621  1.00 92.18           N  
-ATOM    753  CA  ALA A  99      25.702  24.087 -34.244  1.00 92.18           C  
-ATOM    754  C   ALA A  99      24.767  23.217 -33.410  1.00 92.18           C  
-ATOM    755  CB  ALA A  99      25.824  23.528 -35.659  1.00 92.18           C  
-ATOM    756  O   ALA A  99      23.543  23.316 -33.531  1.00 92.18           O  
-ATOM    757  N   ARG A 100      25.377  22.385 -32.479  1.00 95.33           N  
-ATOM    758  CA  ARG A 100      24.584  21.457 -31.679  1.00 95.33           C  
-ATOM    759  C   ARG A 100      23.856  22.187 -30.555  1.00 95.33           C  
-ATOM    760  CB  ARG A 100      25.472  20.354 -31.098  1.00 95.33           C  
-ATOM    761  O   ARG A 100      22.865  21.684 -30.022  1.00 95.33           O  
-ATOM    762  CG  ARG A 100      26.043  19.409 -32.143  1.00 95.33           C  
-ATOM    763  CD  ARG A 100      24.946  18.683 -32.908  1.00 95.33           C  
-ATOM    764  NE  ARG A 100      24.563  19.405 -34.118  1.00 95.33           N  
-ATOM    765  NH1 ARG A 100      24.484  17.527 -35.462  1.00 95.33           N  
-ATOM    766  NH2 ARG A 100      24.008  19.591 -36.339  1.00 95.33           N  
-ATOM    767  CZ  ARG A 100      24.353  18.839 -35.303  1.00 95.33           C  
-ATOM    768  N   ALA A 101      24.277  23.369 -30.243  1.00 93.71           N  
-ATOM    769  CA  ALA A 101      23.570  24.210 -29.280  1.00 93.71           C  
-ATOM    770  C   ALA A 101      22.147  24.502 -29.748  1.00 93.71           C  
-ATOM    771  CB  ALA A 101      24.331  25.514 -29.053  1.00 93.71           C  
-ATOM    772  O   ALA A 101      21.207  24.474 -28.951  1.00 93.71           O  
-ATOM    773  N   ASP A 102      21.987  24.801 -31.041  1.00 94.09           N  
-ATOM    774  CA  ASP A 102      20.673  25.023 -31.636  1.00 94.09           C  
-ATOM    775  C   ASP A 102      19.841  23.743 -31.623  1.00 94.09           C  
-ATOM    776  CB  ASP A 102      20.813  25.545 -33.067  1.00 94.09           C  
-ATOM    777  O   ASP A 102      18.634  23.783 -31.375  1.00 94.09           O  
-ATOM    778  CG  ASP A 102      21.284  26.987 -33.129  1.00 94.09           C  
-ATOM    779  OD1 ASP A 102      21.050  27.747 -32.164  1.00 94.09           O  
-ATOM    780  OD2 ASP A 102      21.892  27.368 -34.153  1.00 94.09           O  
-ATOM    781  N   ASP A 103      20.462  22.569 -31.851  1.00 95.36           N  
-ATOM    782  CA  ASP A 103      19.801  21.269 -31.802  1.00 95.36           C  
-ATOM    783  C   ASP A 103      19.294  20.963 -30.394  1.00 95.36           C  
-ATOM    784  CB  ASP A 103      20.752  20.165 -32.269  1.00 95.36           C  
-ATOM    785  O   ASP A 103      18.199  20.423 -30.226  1.00 95.36           O  
-ATOM    786  CG  ASP A 103      21.020  20.206 -33.763  1.00 95.36           C  
-ATOM    787  OD1 ASP A 103      20.175  20.731 -34.520  1.00 95.36           O  
-ATOM    788  OD2 ASP A 103      22.084  19.706 -34.188  1.00 95.36           O  
-ATOM    789  N   ALA A 104      20.061  21.332 -29.362  1.00 94.45           N  
-ATOM    790  CA  ALA A 104      19.667  21.152 -27.967  1.00 94.45           C  
-ATOM    791  C   ALA A 104      18.425  21.974 -27.637  1.00 94.45           C  
-ATOM    792  CB  ALA A 104      20.816  21.532 -27.037  1.00 94.45           C  
-ATOM    793  O   ALA A 104      17.504  21.483 -26.980  1.00 94.45           O  
-ATOM    794  N   ARG A 105      18.359  23.219 -28.148  1.00 93.96           N  
-ATOM    795  CA  ARG A 105      17.188  24.068 -27.956  1.00 93.96           C  
-ATOM    796  C   ARG A 105      15.963  23.473 -28.642  1.00 93.96           C  
-ATOM    797  CB  ARG A 105      17.453  25.478 -28.488  1.00 93.96           C  
-ATOM    798  O   ARG A 105      14.873  23.451 -28.066  1.00 93.96           O  
-ATOM    799  CG  ARG A 105      18.361  26.312 -27.598  1.00 93.96           C  
-ATOM    800  CD  ARG A 105      18.399  27.769 -28.038  1.00 93.96           C  
-ATOM    801  NE  ARG A 105      19.056  27.925 -29.332  1.00 93.96           N  
-ATOM    802  NH1 ARG A 105      21.152  28.334 -28.451  1.00 93.96           N  
-ATOM    803  NH2 ARG A 105      20.843  28.310 -30.722  1.00 93.96           N  
-ATOM    804  CZ  ARG A 105      20.349  28.189 -29.499  1.00 93.96           C  
-ATOM    805  N   GLN A 106      16.195  23.011 -29.827  1.00 93.75           N  
-ATOM    806  CA  GLN A 106      15.126  22.391 -30.603  1.00 93.75           C  
-ATOM    807  C   GLN A 106      14.620  21.121 -29.925  1.00 93.75           C  
-ATOM    808  CB  GLN A 106      15.604  22.076 -32.021  1.00 93.75           C  
-ATOM    809  O   GLN A 106      13.425  20.822 -29.967  1.00 93.75           O  
-ATOM    810  CG  GLN A 106      15.721  23.301 -32.917  1.00 93.75           C  
-ATOM    811  CD  GLN A 106      16.180  22.958 -34.322  1.00 93.75           C  
-ATOM    812  NE2 GLN A 106      16.717  23.948 -35.028  1.00 93.75           N  
-ATOM    813  OE1 GLN A 106      16.054  21.814 -34.769  1.00 93.75           O  
-ATOM    814  N   LEU A 107      15.534  20.307 -29.348  1.00 94.34           N  
-ATOM    815  CA  LEU A 107      15.182  19.086 -28.633  1.00 94.34           C  
-ATOM    816  C   LEU A 107      14.158  19.372 -27.539  1.00 94.34           C  
-ATOM    817  CB  LEU A 107      16.430  18.442 -28.024  1.00 94.34           C  
-ATOM    818  O   LEU A 107      13.141  18.683 -27.439  1.00 94.34           O  
-ATOM    819  CG  LEU A 107      16.194  17.255 -27.088  1.00 94.34           C  
-ATOM    820  CD1 LEU A 107      15.653  16.063 -27.871  1.00 94.34           C  
-ATOM    821  CD2 LEU A 107      17.481  16.883 -26.360  1.00 94.34           C  
-ATOM    822  N   PHE A 108      14.360  20.445 -26.719  1.00 92.77           N  
-ATOM    823  CA  PHE A 108      13.494  20.778 -25.594  1.00 92.77           C  
-ATOM    824  C   PHE A 108      12.125  21.237 -26.082  1.00 92.77           C  
-ATOM    825  CB  PHE A 108      14.133  21.866 -24.726  1.00 92.77           C  
-ATOM    826  O   PHE A 108      11.102  20.900 -25.483  1.00 92.77           O  
-ATOM    827  CG  PHE A 108      15.222  21.357 -23.820  1.00 92.77           C  
-ATOM    828  CD1 PHE A 108      14.912  20.623 -22.681  1.00 92.77           C  
-ATOM    829  CD2 PHE A 108      16.556  21.614 -24.107  1.00 92.77           C  
-ATOM    830  CE1 PHE A 108      15.918  20.151 -21.841  1.00 92.77           C  
-ATOM    831  CE2 PHE A 108      17.567  21.145 -23.272  1.00 92.77           C  
-ATOM    832  CZ  PHE A 108      17.245  20.415 -22.139  1.00 92.77           C  
-ATOM    833  N   VAL A 109      12.083  21.912 -27.193  1.00 91.79           N  
-ATOM    834  CA  VAL A 109      10.833  22.393 -27.774  1.00 91.79           C  
-ATOM    835  C   VAL A 109      10.035  21.216 -28.329  1.00 91.79           C  
-ATOM    836  CB  VAL A 109      11.088  23.436 -28.885  1.00 91.79           C  
-ATOM    837  O   VAL A 109       8.854  21.053 -28.011  1.00 91.79           O  
-ATOM    838  CG1 VAL A 109       9.790  23.777 -29.613  1.00 91.79           C  
-ATOM    839  CG2 VAL A 109      11.723  24.695 -28.298  1.00 91.79           C  
-ATOM    840  N   LEU A 110      10.718  20.384 -29.082  1.00 90.65           N  
-ATOM    841  CA  LEU A 110      10.072  19.253 -29.740  1.00 90.65           C  
-ATOM    842  C   LEU A 110       9.629  18.211 -28.719  1.00 90.65           C  
-ATOM    843  CB  LEU A 110      11.018  18.615 -30.760  1.00 90.65           C  
-ATOM    844  O   LEU A 110       8.553  17.623 -28.853  1.00 90.65           O  
-ATOM    845  CG  LEU A 110      11.319  19.437 -32.014  1.00 90.65           C  
-ATOM    846  CD1 LEU A 110      12.399  18.756 -32.848  1.00 90.65           C  
-ATOM    847  CD2 LEU A 110      10.050  19.642 -32.836  1.00 90.65           C  
-ATOM    848  N   ALA A 111      10.459  17.985 -27.739  1.00 87.92           N  
-ATOM    849  CA  ALA A 111      10.136  17.025 -26.686  1.00 87.92           C  
-ATOM    850  C   ALA A 111       8.921  17.480 -25.883  1.00 87.92           C  
-ATOM    851  CB  ALA A 111      11.335  16.824 -25.763  1.00 87.92           C  
-ATOM    852  O   ALA A 111       8.085  16.662 -25.493  1.00 87.92           O  
-ATOM    853  N   GLY A 112       8.748  18.803 -25.644  1.00 83.83           N  
-ATOM    854  CA  GLY A 112       7.619  19.388 -24.938  1.00 83.83           C  
-ATOM    855  C   GLY A 112       6.319  19.302 -25.716  1.00 83.83           C  
-ATOM    856  O   GLY A 112       5.243  19.189 -25.125  1.00 83.83           O  
-ATOM    857  N   ALA A 113       6.459  19.247 -27.028  1.00 83.46           N  
-ATOM    858  CA  ALA A 113       5.316  19.240 -27.936  1.00 83.46           C  
-ATOM    859  C   ALA A 113       4.995  17.824 -28.405  1.00 83.46           C  
-ATOM    860  CB  ALA A 113       5.583  20.147 -29.135  1.00 83.46           C  
-ATOM    861  O   ALA A 113       3.980  17.597 -29.067  1.00 83.46           O  
-ATOM    862  N   ALA A 114       5.888  16.879 -28.048  1.00 80.58           N  
-ATOM    863  CA  ALA A 114       5.767  15.509 -28.539  1.00 80.58           C  
-ATOM    864  C   ALA A 114       4.594  14.791 -27.878  1.00 80.58           C  
-ATOM    865  CB  ALA A 114       7.063  14.740 -28.294  1.00 80.58           C  
-ATOM    866  O   ALA A 114       4.359  14.947 -26.678  1.00 80.58           O  
-ATOM    867  N   GLU A 115       3.685  14.232 -28.741  1.00 77.03           N  
-ATOM    868  CA  GLU A 115       2.603  13.372 -28.270  1.00 77.03           C  
-ATOM    869  C   GLU A 115       3.140  12.034 -27.769  1.00 77.03           C  
-ATOM    870  CB  GLU A 115       1.574  13.144 -29.380  1.00 77.03           C  
-ATOM    871  O   GLU A 115       4.119  11.512 -28.306  1.00 77.03           O  
-ATOM    872  CG  GLU A 115       0.738  14.373 -29.705  1.00 77.03           C  
-ATOM    873  CD  GLU A 115      -0.309  14.119 -30.778  1.00 77.03           C  
-ATOM    874  OE1 GLU A 115      -0.999  15.078 -31.192  1.00 77.03           O  
-ATOM    875  OE2 GLU A 115      -0.441  12.951 -31.208  1.00 77.03           O  
-ATOM    876  N   GLU A 116       2.591  11.546 -26.631  1.00 71.35           N  
-ATOM    877  CA  GLU A 116       2.982  10.271 -26.037  1.00 71.35           C  
-ATOM    878  C   GLU A 116       2.869   9.133 -27.047  1.00 71.35           C  
-ATOM    879  CB  GLU A 116       2.126   9.967 -24.804  1.00 71.35           C  
-ATOM    880  O   GLU A 116       1.856   9.009 -27.739  1.00 71.35           O  
-ATOM    881  CG  GLU A 116       2.547  10.733 -23.559  1.00 71.35           C  
-ATOM    882  CD  GLU A 116       1.724  10.380 -22.330  1.00 71.35           C  
-ATOM    883  OE1 GLU A 116       1.943  10.988 -21.258  1.00 71.35           O  
-ATOM    884  OE2 GLU A 116       0.853   9.488 -22.441  1.00 71.35           O  
-ATOM    885  N   GLY A 117       4.013   8.450 -27.381  1.00 70.79           N  
-ATOM    886  CA  GLY A 117       3.944   7.254 -28.205  1.00 70.79           C  
-ATOM    887  C   GLY A 117       4.339   7.500 -29.649  1.00 70.79           C  
-ATOM    888  O   GLY A 117       4.253   6.598 -30.485  1.00 70.79           O  
-ATOM    889  N   PHE A 118       4.822   8.771 -29.998  1.00 81.32           N  
-ATOM    890  CA  PHE A 118       5.245   9.106 -31.352  1.00 81.32           C  
-ATOM    891  C   PHE A 118       6.623   9.755 -31.344  1.00 81.32           C  
-ATOM    892  CB  PHE A 118       4.229  10.038 -32.019  1.00 81.32           C  
-ATOM    893  O   PHE A 118       6.873  10.683 -30.572  1.00 81.32           O  
-ATOM    894  CG  PHE A 118       2.903   9.386 -32.305  1.00 81.32           C  
-ATOM    895  CD1 PHE A 118       2.691   8.702 -33.496  1.00 81.32           C  
-ATOM    896  CD2 PHE A 118       1.867   9.458 -31.382  1.00 81.32           C  
-ATOM    897  CE1 PHE A 118       1.465   8.098 -33.763  1.00 81.32           C  
-ATOM    898  CE2 PHE A 118       0.639   8.856 -31.643  1.00 81.32           C  
-ATOM    899  CZ  PHE A 118       0.440   8.178 -32.834  1.00 81.32           C  
-ATOM    900  N   MET A 119       7.565   9.207 -32.190  1.00 86.42           N  
-ATOM    901  CA  MET A 119       8.868   9.817 -32.445  1.00 86.42           C  
-ATOM    902  C   MET A 119       8.932  10.393 -33.855  1.00 86.42           C  
-ATOM    903  CB  MET A 119       9.988   8.795 -32.246  1.00 86.42           C  
-ATOM    904  O   MET A 119       8.996   9.647 -34.833  1.00 86.42           O  
-ATOM    905  CG  MET A 119      11.384   9.381 -32.387  1.00 86.42           C  
-ATOM    906  SD  MET A 119      11.918  10.293 -30.888  1.00 86.42           S  
-ATOM    907  CE  MET A 119      11.975   8.933 -29.688  1.00 86.42           C  
-ATOM    908  N   THR A 120       8.830  11.790 -33.954  1.00 89.43           N  
-ATOM    909  CA  THR A 120       8.847  12.412 -35.273  1.00 89.43           C  
-ATOM    910  C   THR A 120      10.234  12.308 -35.901  1.00 89.43           C  
-ATOM    911  CB  THR A 120       8.423  13.891 -35.199  1.00 89.43           C  
-ATOM    912  O   THR A 120      11.236  12.195 -35.192  1.00 89.43           O  
-ATOM    913  CG2 THR A 120       7.035  14.035 -34.586  1.00 89.43           C  
-ATOM    914  OG1 THR A 120       9.366  14.612 -34.396  1.00 89.43           O  
-ATOM    915  N   ALA A 121      10.319  12.239 -37.233  1.00 90.56           N  
-ATOM    916  CA  ALA A 121      11.580  12.162 -37.965  1.00 90.56           C  
-ATOM    917  C   ALA A 121      12.496  13.328 -37.606  1.00 90.56           C  
-ATOM    918  CB  ALA A 121      11.321  12.136 -39.470  1.00 90.56           C  
-ATOM    919  O   ALA A 121      13.715  13.165 -37.517  1.00 90.56           O  
-ATOM    920  N   GLU A 122      11.834  14.433 -37.395  1.00 92.17           N  
-ATOM    921  CA  GLU A 122      12.546  15.652 -37.025  1.00 92.17           C  
-ATOM    922  C   GLU A 122      13.185  15.522 -35.645  1.00 92.17           C  
-ATOM    923  CB  GLU A 122      11.602  16.857 -37.055  1.00 92.17           C  
-ATOM    924  O   GLU A 122      14.353  15.871 -35.461  1.00 92.17           O  
-ATOM    925  CG  GLU A 122      12.301  18.192 -36.843  1.00 92.17           C  
-ATOM    926  CD  GLU A 122      11.355  19.380 -36.900  1.00 92.17           C  
-ATOM    927  OE1 GLU A 122      11.831  20.538 -36.857  1.00 92.17           O  
-ATOM    928  OE2 GLU A 122      10.128  19.153 -36.988  1.00 92.17           O  
-ATOM    929  N   LEU A 123      12.453  15.077 -34.663  1.00 93.50           N  
-ATOM    930  CA  LEU A 123      12.960  14.855 -33.313  1.00 93.50           C  
-ATOM    931  C   LEU A 123      14.063  13.803 -33.313  1.00 93.50           C  
-ATOM    932  CB  LEU A 123      11.826  14.423 -32.380  1.00 93.50           C  
-ATOM    933  O   LEU A 123      15.112  13.997 -32.694  1.00 93.50           O  
-ATOM    934  CG  LEU A 123      12.211  14.155 -30.924  1.00 93.50           C  
-ATOM    935  CD1 LEU A 123      12.864  15.391 -30.313  1.00 93.50           C  
-ATOM    936  CD2 LEU A 123      10.988  13.736 -30.115  1.00 93.50           C  
-ATOM    937  N   ALA A 124      13.864  12.710 -33.996  1.00 94.66           N  
-ATOM    938  CA  ALA A 124      14.859  11.647 -34.103  1.00 94.66           C  
-ATOM    939  C   ALA A 124      16.152  12.166 -34.724  1.00 94.66           C  
-ATOM    940  CB  ALA A 124      14.308  10.483 -34.923  1.00 94.66           C  
-ATOM    941  O   ALA A 124      17.247  11.798 -34.291  1.00 94.66           O  
-ATOM    942  N   GLY A 125      15.990  13.034 -35.786  1.00 95.45           N  
-ATOM    943  CA  GLY A 125      17.140  13.643 -36.435  1.00 95.45           C  
-ATOM    944  C   GLY A 125      17.973  14.495 -35.497  1.00 95.45           C  
-ATOM    945  O   GLY A 125      19.203  14.421 -35.510  1.00 95.45           O  
-ATOM    946  N   VAL A 126      17.306  15.261 -34.664  1.00 96.19           N  
-ATOM    947  CA  VAL A 126      17.968  16.126 -33.694  1.00 96.19           C  
-ATOM    948  C   VAL A 126      18.699  15.276 -32.657  1.00 96.19           C  
-ATOM    949  CB  VAL A 126      16.964  17.071 -32.997  1.00 96.19           C  
-ATOM    950  O   VAL A 126      19.854  15.549 -32.323  1.00 96.19           O  
-ATOM    951  CG1 VAL A 126      17.620  17.777 -31.812  1.00 96.19           C  
-ATOM    952  CG2 VAL A 126      16.413  18.091 -33.992  1.00 96.19           C  
-ATOM    953  N   ILE A 127      18.063  14.258 -32.165  1.00 96.78           N  
-ATOM    954  CA  ILE A 127      18.640  13.377 -31.156  1.00 96.78           C  
-ATOM    955  C   ILE A 127      19.879  12.686 -31.721  1.00 96.78           C  
-ATOM    956  CB  ILE A 127      17.616  12.328 -30.669  1.00 96.78           C  
-ATOM    957  O   ILE A 127      20.905  12.587 -31.045  1.00 96.78           O  
-ATOM    958  CG1 ILE A 127      16.466  13.011 -29.919  1.00 96.78           C  
-ATOM    959  CG2 ILE A 127      18.297  11.276 -29.788  1.00 96.78           C  
-ATOM    960  CD1 ILE A 127      15.343  12.066 -29.514  1.00 96.78           C  
-ATOM    961  N   LYS A 128      19.771  12.283 -32.951  1.00 96.86           N  
-ATOM    962  CA  LYS A 128      20.869  11.599 -33.627  1.00 96.86           C  
-ATOM    963  C   LYS A 128      22.089  12.507 -33.751  1.00 96.86           C  
-ATOM    964  CB  LYS A 128      20.431  11.118 -35.011  1.00 96.86           C  
-ATOM    965  O   LYS A 128      23.216  12.082 -33.486  1.00 96.86           O  
-ATOM    966  CG  LYS A 128      21.440  10.209 -35.698  1.00 96.86           C  
-ATOM    967  CD  LYS A 128      20.904   9.679 -37.022  1.00 96.86           C  
-ATOM    968  CE  LYS A 128      21.900   8.744 -37.695  1.00 96.86           C  
-ATOM    969  NZ  LYS A 128      21.361   8.187 -38.972  1.00 96.86           N  
-ATOM    970  N   ARG A 129      21.937  13.733 -34.175  1.00 96.98           N  
-ATOM    971  CA  ARG A 129      23.023  14.697 -34.318  1.00 96.98           C  
-ATOM    972  C   ARG A 129      23.658  15.011 -32.967  1.00 96.98           C  
-ATOM    973  CB  ARG A 129      22.517  15.985 -34.971  1.00 96.98           C  
-ATOM    974  O   ARG A 129      24.882  15.107 -32.858  1.00 96.98           O  
-ATOM    975  CG  ARG A 129      22.199  15.842 -36.451  1.00 96.98           C  
-ATOM    976  CD  ARG A 129      21.997  17.195 -37.118  1.00 96.98           C  
-ATOM    977  NE  ARG A 129      20.813  17.878 -36.604  1.00 96.98           N  
-ATOM    978  NH1 ARG A 129      19.339  16.863 -38.066  1.00 96.98           N  
-ATOM    979  NH2 ARG A 129      18.572  18.376 -36.525  1.00 96.98           N  
-ATOM    980  CZ  ARG A 129      19.577  17.704 -37.066  1.00 96.98           C  
-ATOM    981  N   LEU A 130      22.823  15.132 -31.981  1.00 97.44           N  
-ATOM    982  CA  LEU A 130      23.308  15.420 -30.635  1.00 97.44           C  
-ATOM    983  C   LEU A 130      24.106  14.244 -30.082  1.00 97.44           C  
-ATOM    984  CB  LEU A 130      22.139  15.744 -29.701  1.00 97.44           C  
-ATOM    985  O   LEU A 130      25.159  14.436 -29.470  1.00 97.44           O  
-ATOM    986  CG  LEU A 130      21.491  17.118 -29.878  1.00 97.44           C  
-ATOM    987  CD1 LEU A 130      20.181  17.190 -29.101  1.00 97.44           C  
-ATOM    988  CD2 LEU A 130      22.445  18.221 -29.430  1.00 97.44           C  
-ATOM    989  N   TRP A 131      23.609  13.040 -30.269  1.00 97.47           N  
-ATOM    990  CA  TRP A 131      24.251  11.845 -29.732  1.00 97.47           C  
-ATOM    991  C   TRP A 131      25.616  11.624 -30.376  1.00 97.47           C  
-ATOM    992  CB  TRP A 131      23.366  10.615 -29.948  1.00 97.47           C  
-ATOM    993  O   TRP A 131      26.545  11.140 -29.725  1.00 97.47           O  
-ATOM    994  CG  TRP A 131      23.951   9.342 -29.413  1.00 97.47           C  
-ATOM    995  CD1 TRP A 131      24.184   8.187 -30.107  1.00 97.47           C  
-ATOM    996  CD2 TRP A 131      24.373   9.095 -28.068  1.00 97.47           C  
-ATOM    997  CE2 TRP A 131      24.853   7.767 -28.018  1.00 97.47           C  
-ATOM    998  CE3 TRP A 131      24.393   9.868 -26.900  1.00 97.47           C  
-ATOM    999  NE1 TRP A 131      24.727   7.236 -29.273  1.00 97.47           N  
-ATOM   1000  CH2 TRP A 131      25.356   7.974 -25.715  1.00 97.47           C  
-ATOM   1001  CZ2 TRP A 131      25.348   7.196 -26.843  1.00 97.47           C  
-ATOM   1002  CZ3 TRP A 131      24.886   9.298 -25.732  1.00 97.47           C  
-ATOM   1003  N   LYS A 132      25.849  12.062 -31.627  1.00 96.99           N  
-ATOM   1004  CA  LYS A 132      27.107  11.914 -32.353  1.00 96.99           C  
-ATOM   1005  C   LYS A 132      28.115  12.978 -31.928  1.00 96.99           C  
-ATOM   1006  CB  LYS A 132      26.869  11.990 -33.862  1.00 96.99           C  
-ATOM   1007  O   LYS A 132      29.310  12.855 -32.206  1.00 96.99           O  
-ATOM   1008  CG  LYS A 132      26.234  10.740 -34.452  1.00 96.99           C  
-ATOM   1009  CD  LYS A 132      26.120  10.833 -35.968  1.00 96.99           C  
-ATOM   1010  CE  LYS A 132      25.504   9.574 -36.562  1.00 96.99           C  
-ATOM   1011  NZ  LYS A 132      25.359   9.674 -38.045  1.00 96.99           N  
-ATOM   1012  N   ASP A 133      27.653  13.987 -31.278  1.00 97.82           N  
-ATOM   1013  CA  ASP A 133      28.506  15.091 -30.848  1.00 97.82           C  
-ATOM   1014  C   ASP A 133      29.523  14.626 -29.809  1.00 97.82           C  
-ATOM   1015  CB  ASP A 133      27.661  16.234 -30.283  1.00 97.82           C  
-ATOM   1016  O   ASP A 133      29.180  13.888 -28.883  1.00 97.82           O  
-ATOM   1017  CG  ASP A 133      28.494  17.420 -29.830  1.00 97.82           C  
-ATOM   1018  OD1 ASP A 133      28.988  18.182 -30.688  1.00 97.82           O  
-ATOM   1019  OD2 ASP A 133      28.661  17.591 -28.603  1.00 97.82           O  
-ATOM   1020  N   SER A 134      30.792  15.076 -29.951  1.00 97.44           N  
-ATOM   1021  CA  SER A 134      31.895  14.676 -29.084  1.00 97.44           C  
-ATOM   1022  C   SER A 134      31.680  15.163 -27.655  1.00 97.44           C  
-ATOM   1023  CB  SER A 134      33.222  15.215 -29.620  1.00 97.44           C  
-ATOM   1024  O   SER A 134      32.034  14.472 -26.698  1.00 97.44           O  
-ATOM   1025  OG  SER A 134      33.189  16.629 -29.713  1.00 97.44           O  
-ATOM   1026  N   GLY A 135      31.085  16.422 -27.492  1.00 97.04           N  
-ATOM   1027  CA  GLY A 135      30.749  16.942 -26.176  1.00 97.04           C  
-ATOM   1028  C   GLY A 135      29.699  16.116 -25.458  1.00 97.04           C  
-ATOM   1029  O   GLY A 135      29.833  15.833 -24.265  1.00 97.04           O  
-ATOM   1030  N   VAL A 136      28.681  15.721 -26.225  1.00 97.39           N  
-ATOM   1031  CA  VAL A 136      27.613  14.889 -25.682  1.00 97.39           C  
-ATOM   1032  C   VAL A 136      28.171  13.523 -25.289  1.00 97.39           C  
-ATOM   1033  CB  VAL A 136      26.455  14.721 -26.692  1.00 97.39           C  
-ATOM   1034  O   VAL A 136      27.865  13.007 -24.211  1.00 97.39           O  
-ATOM   1035  CG1 VAL A 136      25.444  13.693 -26.188  1.00 97.39           C  
-ATOM   1036  CG2 VAL A 136      25.773  16.064 -26.949  1.00 97.39           C  
-ATOM   1037  N   GLN A 137      29.032  12.890 -26.070  1.00 97.59           N  
-ATOM   1038  CA  GLN A 137      29.661  11.607 -25.776  1.00 97.59           C  
-ATOM   1039  C   GLN A 137      30.562  11.704 -24.548  1.00 97.59           C  
-ATOM   1040  CB  GLN A 137      30.465  11.114 -26.980  1.00 97.59           C  
-ATOM   1041  O   GLN A 137      30.612  10.780 -23.733  1.00 97.59           O  
-ATOM   1042  CG  GLN A 137      29.605  10.684 -28.160  1.00 97.59           C  
-ATOM   1043  CD  GLN A 137      28.738   9.479 -27.847  1.00 97.59           C  
-ATOM   1044  NE2 GLN A 137      27.486   9.517 -28.292  1.00 97.59           N  
-ATOM   1045  OE1 GLN A 137      29.189   8.522 -27.210  1.00 97.59           O  
-ATOM   1046  N   ALA A 138      31.257  12.864 -24.466  1.00 96.32           N  
-ATOM   1047  CA  ALA A 138      32.108  13.107 -23.304  1.00 96.32           C  
-ATOM   1048  C   ALA A 138      31.283  13.162 -22.021  1.00 96.32           C  
-ATOM   1049  CB  ALA A 138      32.895  14.403 -23.483  1.00 96.32           C  
-ATOM   1050  O   ALA A 138      31.685  12.613 -20.993  1.00 96.32           O  
-ATOM   1051  N   CYS A 139      30.149  13.832 -22.117  1.00 96.92           N  
-ATOM   1052  CA  CYS A 139      29.255  13.929 -20.968  1.00 96.92           C  
-ATOM   1053  C   CYS A 139      28.704  12.559 -20.590  1.00 96.92           C  
-ATOM   1054  CB  CYS A 139      28.103  14.888 -21.265  1.00 96.92           C  
-ATOM   1055  O   CYS A 139      28.619  12.225 -19.407  1.00 96.92           O  
-ATOM   1056  SG  CYS A 139      27.014  15.176 -19.854  1.00 96.92           S  
-ATOM   1057  N   PHE A 140      28.321  11.791 -21.551  1.00 95.75           N  
-ATOM   1058  CA  PHE A 140      27.825  10.436 -21.337  1.00 95.75           C  
-ATOM   1059  C   PHE A 140      28.866   9.586 -20.618  1.00 95.75           C  
-ATOM   1060  CB  PHE A 140      27.444   9.785 -22.670  1.00 95.75           C  
-ATOM   1061  O   PHE A 140      28.527   8.794 -19.736  1.00 95.75           O  
-ATOM   1062  CG  PHE A 140      27.029   8.344 -22.544  1.00 95.75           C  
-ATOM   1063  CD1 PHE A 140      27.871   7.324 -22.970  1.00 95.75           C  
-ATOM   1064  CD2 PHE A 140      25.796   8.009 -22.001  1.00 95.75           C  
-ATOM   1065  CE1 PHE A 140      27.490   5.989 -22.855  1.00 95.75           C  
-ATOM   1066  CE2 PHE A 140      25.407   6.678 -21.883  1.00 95.75           C  
-ATOM   1067  CZ  PHE A 140      26.255   5.669 -22.311  1.00 95.75           C  
-ATOM   1068  N   ASN A 141      30.150   9.727 -20.916  1.00 93.40           N  
-ATOM   1069  CA  ASN A 141      31.244   8.975 -20.308  1.00 93.40           C  
-ATOM   1070  C   ASN A 141      31.422   9.336 -18.836  1.00 93.40           C  
-ATOM   1071  CB  ASN A 141      32.547   9.211 -21.074  1.00 93.40           C  
-ATOM   1072  O   ASN A 141      32.058   8.596 -18.084  1.00 93.40           O  
-ATOM   1073  CG  ASN A 141      32.582   8.486 -22.405  1.00 93.40           C  
-ATOM   1074  ND2 ASN A 141      33.344   9.020 -23.352  1.00 93.40           N  
-ATOM   1075  OD1 ASN A 141      31.928   7.455 -22.582  1.00 93.40           O  
-ATOM   1076  N   ARG A 142      30.759  10.452 -18.394  1.00 93.43           N  
-ATOM   1077  CA  ARG A 142      30.783  10.892 -17.002  1.00 93.43           C  
-ATOM   1078  C   ARG A 142      29.432  10.667 -16.333  1.00 93.43           C  
-ATOM   1079  CB  ARG A 142      31.173  12.369 -16.912  1.00 93.43           C  
-ATOM   1080  O   ARG A 142      29.009  11.463 -15.492  1.00 93.43           O  
-ATOM   1081  CG  ARG A 142      32.592  12.661 -17.373  1.00 93.43           C  
-ATOM   1082  CD  ARG A 142      32.892  14.153 -17.365  1.00 93.43           C  
-ATOM   1083  NE  ARG A 142      32.907  14.693 -16.009  1.00 93.43           N  
-ATOM   1084  NH1 ARG A 142      33.242  16.883 -16.662  1.00 93.43           N  
-ATOM   1085  NH2 ARG A 142      33.069  16.360 -14.437  1.00 93.43           N  
-ATOM   1086  CZ  ARG A 142      33.073  15.977 -15.706  1.00 93.43           C  
-ATOM   1087  N   SER A 143      28.707   9.684 -16.839  1.00 92.59           N  
-ATOM   1088  CA  SER A 143      27.326   9.440 -16.438  1.00 92.59           C  
-ATOM   1089  C   SER A 143      27.238   9.052 -14.965  1.00 92.59           C  
-ATOM   1090  CB  SER A 143      26.703   8.341 -17.300  1.00 92.59           C  
-ATOM   1091  O   SER A 143      26.159   9.094 -14.370  1.00 92.59           O  
-ATOM   1092  OG  SER A 143      27.438   7.135 -17.186  1.00 92.59           O  
-ATOM   1093  N   ARG A 144      28.385   8.848 -14.294  1.00 90.15           N  
-ATOM   1094  CA  ARG A 144      28.387   8.554 -12.864  1.00 90.15           C  
-ATOM   1095  C   ARG A 144      28.104   9.810 -12.047  1.00 90.15           C  
-ATOM   1096  CB  ARG A 144      29.725   7.943 -12.442  1.00 90.15           C  
-ATOM   1097  O   ARG A 144      27.777   9.725 -10.861  1.00 90.15           O  
-ATOM   1098  CG  ARG A 144      30.897   8.908 -12.529  1.00 90.15           C  
-ATOM   1099  CD  ARG A 144      32.187   8.274 -12.029  1.00 90.15           C  
-ATOM   1100  NE  ARG A 144      33.307   9.209 -12.093  1.00 90.15           N  
-ATOM   1101  NH1 ARG A 144      34.871   7.712 -11.286  1.00 90.15           N  
-ATOM   1102  NH2 ARG A 144      35.498   9.847 -11.837  1.00 90.15           N  
-ATOM   1103  CZ  ARG A 144      34.556   8.920 -11.738  1.00 90.15           C  
-ATOM   1104  N   GLU A 145      28.218  11.049 -12.615  1.00 90.91           N  
-ATOM   1105  CA  GLU A 145      28.101  12.336 -11.937  1.00 90.91           C  
-ATOM   1106  C   GLU A 145      26.664  12.847 -11.968  1.00 90.91           C  
-ATOM   1107  CB  GLU A 145      29.039  13.366 -12.572  1.00 90.91           C  
-ATOM   1108  O   GLU A 145      26.345  13.857 -11.337  1.00 90.91           O  
-ATOM   1109  CG  GLU A 145      30.516  13.045 -12.393  1.00 90.91           C  
-ATOM   1110  CD  GLU A 145      31.435  14.072 -13.034  1.00 90.91           C  
-ATOM   1111  OE1 GLU A 145      32.336  13.681 -13.810  1.00 90.91           O  
-ATOM   1112  OE2 GLU A 145      31.253  15.279 -12.757  1.00 90.91           O  
-ATOM   1113  N   TYR A 146      25.813  12.164 -12.678  1.00 92.61           N  
-ATOM   1114  CA  TYR A 146      24.404  12.541 -12.728  1.00 92.61           C  
-ATOM   1115  C   TYR A 146      23.519  11.317 -12.929  1.00 92.61           C  
-ATOM   1116  CB  TYR A 146      24.158  13.554 -13.850  1.00 92.61           C  
-ATOM   1117  O   TYR A 146      24.017  10.219 -13.188  1.00 92.61           O  
-ATOM   1118  CG  TYR A 146      24.530  13.043 -15.221  1.00 92.61           C  
-ATOM   1119  CD1 TYR A 146      25.852  13.067 -15.660  1.00 92.61           C  
-ATOM   1120  CD2 TYR A 146      23.561  12.536 -16.080  1.00 92.61           C  
-ATOM   1121  CE1 TYR A 146      26.199  12.599 -16.923  1.00 92.61           C  
-ATOM   1122  CE2 TYR A 146      23.897  12.066 -17.345  1.00 92.61           C  
-ATOM   1123  OH  TYR A 146      25.555  11.637 -19.008  1.00 92.61           O  
-ATOM   1124  CZ  TYR A 146      25.217  12.101 -17.757  1.00 92.61           C  
-ATOM   1125  N   GLN A 147      22.173  11.425 -12.850  1.00 90.89           N  
-ATOM   1126  CA  GLN A 147      21.234  10.312 -12.933  1.00 90.89           C  
-ATOM   1127  C   GLN A 147      20.851  10.022 -14.381  1.00 90.89           C  
-ATOM   1128  CB  GLN A 147      19.981  10.603 -12.106  1.00 90.89           C  
-ATOM   1129  O   GLN A 147      20.192  10.838 -15.029  1.00 90.89           O  
-ATOM   1130  CG  GLN A 147      20.267  10.900 -10.640  1.00 90.89           C  
-ATOM   1131  CD  GLN A 147      20.906   9.729  -9.917  1.00 90.89           C  
-ATOM   1132  NE2 GLN A 147      21.824  10.026  -9.003  1.00 90.89           N  
-ATOM   1133  OE1 GLN A 147      20.576   8.568 -10.177  1.00 90.89           O  
-ATOM   1134  N   LEU A 148      21.257   8.853 -14.865  1.00 93.39           N  
-ATOM   1135  CA  LEU A 148      20.984   8.460 -16.243  1.00 93.39           C  
-ATOM   1136  C   LEU A 148      20.481   7.022 -16.309  1.00 93.39           C  
-ATOM   1137  CB  LEU A 148      22.242   8.613 -17.103  1.00 93.39           C  
-ATOM   1138  O   LEU A 148      20.994   6.148 -15.608  1.00 93.39           O  
-ATOM   1139  CG  LEU A 148      22.082   8.321 -18.596  1.00 93.39           C  
-ATOM   1140  CD1 LEU A 148      21.182   9.366 -19.247  1.00 93.39           C  
-ATOM   1141  CD2 LEU A 148      23.444   8.279 -19.281  1.00 93.39           C  
-ATOM   1142  N   ASN A 149      19.490   6.801 -17.166  1.00 91.69           N  
-ATOM   1143  CA  ASN A 149      18.958   5.460 -17.385  1.00 91.69           C  
-ATOM   1144  C   ASN A 149      20.029   4.510 -17.911  1.00 91.69           C  
-ATOM   1145  CB  ASN A 149      17.769   5.505 -18.348  1.00 91.69           C  
-ATOM   1146  O   ASN A 149      20.765   4.849 -18.840  1.00 91.69           O  
-ATOM   1147  CG  ASN A 149      17.036   4.181 -18.434  1.00 91.69           C  
-ATOM   1148  ND2 ASN A 149      15.754   4.234 -18.773  1.00 91.69           N  
-ATOM   1149  OD1 ASN A 149      17.618   3.119 -18.197  1.00 91.69           O  
-ATOM   1150  N   ASP A 150      20.114   3.256 -17.399  1.00 91.43           N  
-ATOM   1151  CA  ASP A 150      21.143   2.287 -17.762  1.00 91.43           C  
-ATOM   1152  C   ASP A 150      21.039   1.903 -19.237  1.00 91.43           C  
-ATOM   1153  CB  ASP A 150      21.037   1.037 -16.885  1.00 91.43           C  
-ATOM   1154  O   ASP A 150      22.030   1.498 -19.849  1.00 91.43           O  
-ATOM   1155  CG  ASP A 150      21.463   1.283 -15.449  1.00 91.43           C  
-ATOM   1156  OD1 ASP A 150      22.165   2.283 -15.183  1.00 91.43           O  
-ATOM   1157  OD2 ASP A 150      21.096   0.468 -14.575  1.00 91.43           O  
-ATOM   1158  N   SER A 151      19.813   2.067 -19.830  1.00 94.08           N  
-ATOM   1159  CA  SER A 151      19.545   1.614 -21.191  1.00 94.08           C  
-ATOM   1160  C   SER A 151      19.756   2.737 -22.200  1.00 94.08           C  
-ATOM   1161  CB  SER A 151      18.117   1.077 -21.306  1.00 94.08           C  
-ATOM   1162  O   SER A 151      19.451   2.581 -23.384  1.00 94.08           O  
-ATOM   1163  OG  SER A 151      17.945  -0.071 -20.491  1.00 94.08           O  
-ATOM   1164  N   ALA A 152      20.281   3.920 -21.697  1.00 95.00           N  
-ATOM   1165  CA  ALA A 152      20.440   5.104 -22.539  1.00 95.00           C  
-ATOM   1166  C   ALA A 152      21.260   4.784 -23.785  1.00 95.00           C  
-ATOM   1167  CB  ALA A 152      21.097   6.233 -21.749  1.00 95.00           C  
-ATOM   1168  O   ALA A 152      20.844   5.089 -24.905  1.00 95.00           O  
-ATOM   1169  N   ALA A 153      22.383   4.104 -23.598  1.00 94.77           N  
-ATOM   1170  CA  ALA A 153      23.270   3.783 -24.713  1.00 94.77           C  
-ATOM   1171  C   ALA A 153      22.600   2.817 -25.686  1.00 94.77           C  
-ATOM   1172  CB  ALA A 153      24.579   3.191 -24.198  1.00 94.77           C  
-ATOM   1173  O   ALA A 153      22.710   2.976 -26.904  1.00 94.77           O  
-ATOM   1174  N   TYR A 154      21.868   1.879 -25.236  1.00 95.37           N  
-ATOM   1175  CA  TYR A 154      21.162   0.888 -26.041  1.00 95.37           C  
-ATOM   1176  C   TYR A 154      20.174   1.558 -26.989  1.00 95.37           C  
-ATOM   1177  CB  TYR A 154      20.427  -0.111 -25.141  1.00 95.37           C  
-ATOM   1178  O   TYR A 154      20.187   1.298 -28.194  1.00 95.37           O  
-ATOM   1179  CG  TYR A 154      19.566  -1.092 -25.899  1.00 95.37           C  
-ATOM   1180  CD1 TYR A 154      18.208  -0.850 -26.096  1.00 95.37           C  
-ATOM   1181  CD2 TYR A 154      20.108  -2.262 -26.419  1.00 95.37           C  
-ATOM   1182  CE1 TYR A 154      17.411  -1.752 -26.793  1.00 95.37           C  
-ATOM   1183  CE2 TYR A 154      19.320  -3.171 -27.117  1.00 95.37           C  
-ATOM   1184  OH  TYR A 154      17.190  -3.804 -27.989  1.00 95.37           O  
-ATOM   1185  CZ  TYR A 154      17.975  -2.908 -27.299  1.00 95.37           C  
-ATOM   1186  N   TYR A 155      19.344   2.458 -26.496  1.00 96.42           N  
-ATOM   1187  CA  TYR A 155      18.307   3.102 -27.295  1.00 96.42           C  
-ATOM   1188  C   TYR A 155      18.908   4.150 -28.224  1.00 96.42           C  
-ATOM   1189  CB  TYR A 155      17.255   3.749 -26.389  1.00 96.42           C  
-ATOM   1190  O   TYR A 155      18.523   4.246 -29.392  1.00 96.42           O  
-ATOM   1191  CG  TYR A 155      16.345   2.755 -25.709  1.00 96.42           C  
-ATOM   1192  CD1 TYR A 155      15.713   1.749 -26.436  1.00 96.42           C  
-ATOM   1193  CD2 TYR A 155      16.116   2.820 -24.339  1.00 96.42           C  
-ATOM   1194  CE1 TYR A 155      14.873   0.832 -25.813  1.00 96.42           C  
-ATOM   1195  CE2 TYR A 155      15.277   1.909 -23.706  1.00 96.42           C  
-ATOM   1196  OH  TYR A 155      13.831   0.014 -23.829  1.00 96.42           O  
-ATOM   1197  CZ  TYR A 155      14.662   0.919 -24.450  1.00 96.42           C  
-ATOM   1198  N   LEU A 156      19.893   4.955 -27.717  1.00 96.72           N  
-ATOM   1199  CA  LEU A 156      20.455   6.043 -28.511  1.00 96.72           C  
-ATOM   1200  C   LEU A 156      21.313   5.498 -29.648  1.00 96.72           C  
-ATOM   1201  CB  LEU A 156      21.288   6.976 -27.629  1.00 96.72           C  
-ATOM   1202  O   LEU A 156      21.359   6.085 -30.732  1.00 96.72           O  
-ATOM   1203  CG  LEU A 156      20.513   7.839 -26.633  1.00 96.72           C  
-ATOM   1204  CD1 LEU A 156      21.468   8.484 -25.634  1.00 96.72           C  
-ATOM   1205  CD2 LEU A 156      19.701   8.902 -27.366  1.00 96.72           C  
-ATOM   1206  N   ASN A 157      21.993   4.291 -29.456  1.00 96.44           N  
-ATOM   1207  CA  ASN A 157      22.798   3.659 -30.497  1.00 96.44           C  
-ATOM   1208  C   ASN A 157      21.924   3.065 -31.598  1.00 96.44           C  
-ATOM   1209  CB  ASN A 157      23.700   2.579 -29.895  1.00 96.44           C  
-ATOM   1210  O   ASN A 157      22.355   2.956 -32.747  1.00 96.44           O  
-ATOM   1211  CG  ASN A 157      24.875   3.159 -29.131  1.00 96.44           C  
-ATOM   1212  ND2 ASN A 157      25.406   2.390 -28.188  1.00 96.44           N  
-ATOM   1213  OD1 ASN A 157      25.300   4.288 -29.386  1.00 96.44           O  
-ATOM   1214  N   ASP A 158      20.679   2.733 -31.259  1.00 94.93           N  
-ATOM   1215  CA  ASP A 158      19.793   2.086 -32.222  1.00 94.93           C  
-ATOM   1216  C   ASP A 158      18.618   2.992 -32.583  1.00 94.93           C  
-ATOM   1217  CB  ASP A 158      19.280   0.754 -31.670  1.00 94.93           C  
-ATOM   1218  O   ASP A 158      17.506   2.513 -32.814  1.00 94.93           O  
-ATOM   1219  CG  ASP A 158      20.330  -0.343 -31.698  1.00 94.93           C  
-ATOM   1220  OD1 ASP A 158      21.186  -0.345 -32.609  1.00 94.93           O  
-ATOM   1221  OD2 ASP A 158      20.299  -1.214 -30.802  1.00 94.93           O  
-ATOM   1222  N   LEU A 159      18.861   4.296 -32.582  1.00 94.76           N  
-ATOM   1223  CA  LEU A 159      17.831   5.297 -32.835  1.00 94.76           C  
-ATOM   1224  C   LEU A 159      17.238   5.126 -34.229  1.00 94.76           C  
-ATOM   1225  CB  LEU A 159      18.404   6.708 -32.680  1.00 94.76           C  
-ATOM   1226  O   LEU A 159      16.044   5.358 -34.433  1.00 94.76           O  
-ATOM   1227  CG  LEU A 159      17.394   7.856 -32.700  1.00 94.76           C  
-ATOM   1228  CD1 LEU A 159      16.436   7.740 -31.519  1.00 94.76           C  
-ATOM   1229  CD2 LEU A 159      18.113   9.201 -32.681  1.00 94.76           C  
-ATOM   1230  N   ASP A 160      17.999   4.670 -35.197  1.00 93.44           N  
-ATOM   1231  CA  ASP A 160      17.554   4.477 -36.574  1.00 93.44           C  
-ATOM   1232  C   ASP A 160      16.448   3.428 -36.652  1.00 93.44           C  
-ATOM   1233  CB  ASP A 160      18.729   4.070 -37.466  1.00 93.44           C  
-ATOM   1234  O   ASP A 160      15.461   3.610 -37.368  1.00 93.44           O  
-ATOM   1235  CG  ASP A 160      19.713   5.202 -37.703  1.00 93.44           C  
-ATOM   1236  OD1 ASP A 160      19.295   6.380 -37.725  1.00 93.44           O  
-ATOM   1237  OD2 ASP A 160      20.918   4.913 -37.872  1.00 93.44           O  
-ATOM   1238  N   ARG A 161      16.620   2.377 -35.833  1.00 94.75           N  
-ATOM   1239  CA  ARG A 161      15.611   1.325 -35.755  1.00 94.75           C  
-ATOM   1240  C   ARG A 161      14.372   1.809 -35.009  1.00 94.75           C  
-ATOM   1241  CB  ARG A 161      16.183   0.082 -35.070  1.00 94.75           C  
-ATOM   1242  O   ARG A 161      13.245   1.574 -35.450  1.00 94.75           O  
-ATOM   1243  CG  ARG A 161      15.188  -1.061 -34.938  1.00 94.75           C  
-ATOM   1244  CD  ARG A 161      15.774  -2.232 -34.162  1.00 94.75           C  
-ATOM   1245  NE  ARG A 161      16.099  -1.859 -32.788  1.00 94.75           N  
-ATOM   1246  NH1 ARG A 161      13.926  -2.006 -32.016  1.00 94.75           N  
-ATOM   1247  NH2 ARG A 161      15.618  -1.413 -30.587  1.00 94.75           N  
-ATOM   1248  CZ  ARG A 161      15.214  -1.760 -31.800  1.00 94.75           C  
-ATOM   1249  N   ILE A 162      14.532   2.587 -33.961  1.00 93.69           N  
-ATOM   1250  CA  ILE A 162      13.481   3.023 -33.048  1.00 93.69           C  
-ATOM   1251  C   ILE A 162      12.648   4.121 -33.706  1.00 93.69           C  
-ATOM   1252  CB  ILE A 162      14.067   3.525 -31.709  1.00 93.69           C  
-ATOM   1253  O   ILE A 162      11.449   4.241 -33.443  1.00 93.69           O  
-ATOM   1254  CG1 ILE A 162      14.735   2.371 -30.953  1.00 93.69           C  
-ATOM   1255  CG2 ILE A 162      12.979   4.183 -30.856  1.00 93.69           C  
-ATOM   1256  CD1 ILE A 162      15.566   2.814 -29.756  1.00 93.69           C  
-ATOM   1257  N   ALA A 163      13.221   4.891 -34.635  1.00 92.27           N  
-ATOM   1258  CA  ALA A 163      12.588   6.066 -35.229  1.00 92.27           C  
-ATOM   1259  C   ALA A 163      11.815   5.694 -36.491  1.00 92.27           C  
-ATOM   1260  CB  ALA A 163      13.635   7.131 -35.545  1.00 92.27           C  
-ATOM   1261  O   ALA A 163      11.132   6.535 -37.079  1.00 92.27           O  
-ATOM   1262  N   GLN A 164      11.776   4.371 -36.865  1.00 92.22           N  
-ATOM   1263  CA  GLN A 164      11.010   3.919 -38.021  1.00 92.22           C  
-ATOM   1264  C   GLN A 164       9.510   3.989 -37.749  1.00 92.22           C  
-ATOM   1265  CB  GLN A 164      11.408   2.493 -38.404  1.00 92.22           C  
-ATOM   1266  O   GLN A 164       9.062   3.703 -36.637  1.00 92.22           O  
-ATOM   1267  CG  GLN A 164      12.840   2.368 -38.907  1.00 92.22           C  
-ATOM   1268  CD  GLN A 164      13.071   3.109 -40.211  1.00 92.22           C  
-ATOM   1269  NE2 GLN A 164      14.264   3.673 -40.369  1.00 92.22           N  
-ATOM   1270  OE1 GLN A 164      12.185   3.173 -41.069  1.00 92.22           O  
-ATOM   1271  N   PRO A 165       8.658   4.452 -38.666  1.00 86.86           N  
-ATOM   1272  CA  PRO A 165       7.211   4.609 -38.501  1.00 86.86           C  
-ATOM   1273  C   PRO A 165       6.506   3.291 -38.189  1.00 86.86           C  
-ATOM   1274  CB  PRO A 165       6.760   5.163 -39.855  1.00 86.86           C  
-ATOM   1275  O   PRO A 165       5.514   3.275 -37.456  1.00 86.86           O  
-ATOM   1276  CG  PRO A 165       7.980   5.804 -40.431  1.00 86.86           C  
-ATOM   1277  CD  PRO A 165       9.188   5.062 -39.936  1.00 86.86           C  
-ATOM   1278  N   ASN A 166       7.146   2.141 -38.611  1.00 90.60           N  
-ATOM   1279  CA  ASN A 166       6.541   0.836 -38.367  1.00 90.60           C  
-ATOM   1280  C   ASN A 166       7.257   0.086 -37.247  1.00 90.60           C  
-ATOM   1281  CB  ASN A 166       6.536  -0.002 -39.648  1.00 90.60           C  
-ATOM   1282  O   ASN A 166       7.181  -1.141 -37.168  1.00 90.60           O  
-ATOM   1283  CG  ASN A 166       7.925  -0.204 -40.219  1.00 90.60           C  
-ATOM   1284  ND2 ASN A 166       8.068  -1.190 -41.097  1.00 90.60           N  
-ATOM   1285  OD1 ASN A 166       8.863   0.520 -39.874  1.00 90.60           O  
-ATOM   1286  N   TYR A 167       8.021   0.788 -36.413  1.00 93.07           N  
-ATOM   1287  CA  TYR A 167       8.798   0.221 -35.317  1.00 93.07           C  
-ATOM   1288  C   TYR A 167       7.890  -0.468 -34.305  1.00 93.07           C  
-ATOM   1289  CB  TYR A 167       9.621   1.310 -34.622  1.00 93.07           C  
-ATOM   1290  O   TYR A 167       6.925   0.127 -33.820  1.00 93.07           O  
-ATOM   1291  CG  TYR A 167      10.260   0.857 -33.332  1.00 93.07           C  
-ATOM   1292  CD1 TYR A 167       9.891   1.422 -32.113  1.00 93.07           C  
-ATOM   1293  CD2 TYR A 167      11.235  -0.136 -33.328  1.00 93.07           C  
-ATOM   1294  CE1 TYR A 167      10.478   1.009 -30.921  1.00 93.07           C  
-ATOM   1295  CE2 TYR A 167      11.829  -0.556 -32.143  1.00 93.07           C  
-ATOM   1296  OH  TYR A 167      12.029  -0.392 -29.770  1.00 93.07           O  
-ATOM   1297  CZ  TYR A 167      11.444   0.021 -30.946  1.00 93.07           C  
-ATOM   1298  N   ILE A 168       8.182  -1.710 -34.089  1.00 93.58           N  
-ATOM   1299  CA  ILE A 168       7.570  -2.502 -33.027  1.00 93.58           C  
-ATOM   1300  C   ILE A 168       8.645  -2.981 -32.055  1.00 93.58           C  
-ATOM   1301  CB  ILE A 168       6.789  -3.706 -33.599  1.00 93.58           C  
-ATOM   1302  O   ILE A 168       9.598  -3.654 -32.456  1.00 93.58           O  
-ATOM   1303  CG1 ILE A 168       5.693  -3.226 -34.558  1.00 93.58           C  
-ATOM   1304  CG2 ILE A 168       6.196  -4.551 -32.468  1.00 93.58           C  
-ATOM   1305  CD1 ILE A 168       4.980  -4.351 -35.296  1.00 93.58           C  
-ATOM   1306  N   PRO A 169       8.483  -2.510 -30.821  1.00 95.46           N  
-ATOM   1307  CA  PRO A 169       9.505  -2.898 -29.845  1.00 95.46           C  
-ATOM   1308  C   PRO A 169       9.724  -4.408 -29.788  1.00 95.46           C  
-ATOM   1309  CB  PRO A 169       8.942  -2.378 -28.520  1.00 95.46           C  
-ATOM   1310  O   PRO A 169       8.763  -5.178 -29.863  1.00 95.46           O  
-ATOM   1311  CG  PRO A 169       8.051  -1.240 -28.904  1.00 95.46           C  
-ATOM   1312  CD  PRO A 169       7.394  -1.570 -30.213  1.00 95.46           C  
-ATOM   1313  N   THR A 170      11.042  -4.759 -29.702  1.00 94.94           N  
-ATOM   1314  CA  THR A 170      11.412  -6.159 -29.525  1.00 94.94           C  
-ATOM   1315  C   THR A 170      11.311  -6.563 -28.057  1.00 94.94           C  
-ATOM   1316  CB  THR A 170      12.839  -6.429 -30.037  1.00 94.94           C  
-ATOM   1317  O   THR A 170      11.133  -5.711 -27.184  1.00 94.94           O  
-ATOM   1318  CG2 THR A 170      13.005  -5.956 -31.477  1.00 94.94           C  
-ATOM   1319  OG1 THR A 170      13.778  -5.734 -29.207  1.00 94.94           O  
-ATOM   1320  N   GLN A 171      11.359  -7.781 -27.783  1.00 93.59           N  
-ATOM   1321  CA  GLN A 171      11.363  -8.252 -26.402  1.00 93.59           C  
-ATOM   1322  C   GLN A 171      12.524  -7.646 -25.618  1.00 93.59           C  
-ATOM   1323  CB  GLN A 171      11.438  -9.779 -26.355  1.00 93.59           C  
-ATOM   1324  O   GLN A 171      12.388  -7.347 -24.430  1.00 93.59           O  
-ATOM   1325  CG  GLN A 171      10.155 -10.471 -26.795  1.00 93.59           C  
-ATOM   1326  CD  GLN A 171      10.164 -11.961 -26.508  1.00 93.59           C  
-ATOM   1327  NE2 GLN A 171       9.547 -12.739 -27.391  1.00 93.59           N  
-ATOM   1328  OE1 GLN A 171      10.721 -12.409 -25.500  1.00 93.59           O  
-ATOM   1329  N   GLN A 172      13.656  -7.435 -26.354  1.00 94.15           N  
-ATOM   1330  CA  GLN A 172      14.810  -6.803 -25.723  1.00 94.15           C  
-ATOM   1331  C   GLN A 172      14.521  -5.344 -25.383  1.00 94.15           C  
-ATOM   1332  CB  GLN A 172      16.037  -6.898 -26.631  1.00 94.15           C  
-ATOM   1333  O   GLN A 172      14.950  -4.847 -24.339  1.00 94.15           O  
-ATOM   1334  CG  GLN A 172      17.332  -6.454 -25.963  1.00 94.15           C  
-ATOM   1335  CD  GLN A 172      17.653  -7.256 -24.715  1.00 94.15           C  
-ATOM   1336  NE2 GLN A 172      18.350  -6.631 -23.772  1.00 94.15           N  
-ATOM   1337  OE1 GLN A 172      17.277  -8.426 -24.599  1.00 94.15           O  
-ATOM   1338  N   ASP A 173      13.716  -4.668 -26.246  1.00 95.59           N  
-ATOM   1339  CA  ASP A 173      13.289  -3.298 -25.977  1.00 95.59           C  
-ATOM   1340  C   ASP A 173      12.398  -3.234 -24.738  1.00 95.59           C  
-ATOM   1341  CB  ASP A 173      12.552  -2.719 -27.186  1.00 95.59           C  
-ATOM   1342  O   ASP A 173      12.552  -2.342 -23.901  1.00 95.59           O  
-ATOM   1343  CG  ASP A 173      13.444  -2.562 -28.405  1.00 95.59           C  
-ATOM   1344  OD1 ASP A 173      14.661  -2.328 -28.244  1.00 95.59           O  
-ATOM   1345  OD2 ASP A 173      12.924  -2.671 -29.537  1.00 95.59           O  
-ATOM   1346  N   VAL A 174      11.540  -4.229 -24.655  1.00 94.78           N  
-ATOM   1347  CA  VAL A 174      10.603  -4.291 -23.538  1.00 94.78           C  
-ATOM   1348  C   VAL A 174      11.367  -4.501 -22.233  1.00 94.78           C  
-ATOM   1349  CB  VAL A 174       9.561  -5.416 -23.733  1.00 94.78           C  
-ATOM   1350  O   VAL A 174      11.106  -3.821 -21.237  1.00 94.78           O  
-ATOM   1351  CG1 VAL A 174       8.680  -5.557 -22.493  1.00 94.78           C  
-ATOM   1352  CG2 VAL A 174       8.708  -5.144 -24.971  1.00 94.78           C  
-ATOM   1353  N   LEU A 175      12.364  -5.371 -22.212  1.00 94.26           N  
-ATOM   1354  CA  LEU A 175      13.146  -5.685 -21.022  1.00 94.26           C  
-ATOM   1355  C   LEU A 175      13.920  -4.462 -20.542  1.00 94.26           C  
-ATOM   1356  CB  LEU A 175      14.114  -6.837 -21.305  1.00 94.26           C  
-ATOM   1357  O   LEU A 175      14.157  -4.303 -19.342  1.00 94.26           O  
-ATOM   1358  CG  LEU A 175      13.491  -8.226 -21.451  1.00 94.26           C  
-ATOM   1359  CD1 LEU A 175      14.550  -9.241 -21.870  1.00 94.26           C  
-ATOM   1360  CD2 LEU A 175      12.820  -8.651 -20.150  1.00 94.26           C  
-ATOM   1361  N   ARG A 176      14.247  -3.529 -21.415  1.00 94.19           N  
-ATOM   1362  CA  ARG A 176      15.149  -2.422 -21.115  1.00 94.19           C  
-ATOM   1363  C   ARG A 176      14.371  -1.146 -20.813  1.00 94.19           C  
-ATOM   1364  CB  ARG A 176      16.115  -2.185 -22.278  1.00 94.19           C  
-ATOM   1365  O   ARG A 176      14.962  -0.114 -20.489  1.00 94.19           O  
-ATOM   1366  CG  ARG A 176      17.158  -3.278 -22.447  1.00 94.19           C  
-ATOM   1367  CD  ARG A 176      18.154  -2.943 -23.548  1.00 94.19           C  
-ATOM   1368  NE  ARG A 176      19.213  -3.943 -23.639  1.00 94.19           N  
-ATOM   1369  NH1 ARG A 176      20.810  -2.648 -22.585  1.00 94.19           N  
-ATOM   1370  NH2 ARG A 176      21.337  -4.756 -23.316  1.00 94.19           N  
-ATOM   1371  CZ  ARG A 176      20.451  -3.780 -23.180  1.00 94.19           C  
-ATOM   1372  N   THR A 177      13.050  -1.294 -20.972  1.00 94.06           N  
-ATOM   1373  CA  THR A 177      12.218  -0.145 -20.632  1.00 94.06           C  
-ATOM   1374  C   THR A 177      12.227   0.102 -19.126  1.00 94.06           C  
-ATOM   1375  CB  THR A 177      10.769  -0.342 -21.114  1.00 94.06           C  
-ATOM   1376  O   THR A 177      12.332  -0.839 -18.338  1.00 94.06           O  
-ATOM   1377  CG2 THR A 177      10.704  -0.450 -22.634  1.00 94.06           C  
-ATOM   1378  OG1 THR A 177      10.239  -1.542 -20.538  1.00 94.06           O  
-ATOM   1379  N   ARG A 178      12.149   1.351 -18.775  1.00 90.06           N  
-ATOM   1380  CA  ARG A 178      12.102   1.734 -17.368  1.00 90.06           C  
-ATOM   1381  C   ARG A 178      10.822   2.502 -17.052  1.00 90.06           C  
-ATOM   1382  CB  ARG A 178      13.324   2.578 -16.998  1.00 90.06           C  
-ATOM   1383  O   ARG A 178      10.560   3.552 -17.643  1.00 90.06           O  
-ATOM   1384  CG  ARG A 178      13.370   2.986 -15.534  1.00 90.06           C  
-ATOM   1385  CD  ARG A 178      14.601   3.825 -15.222  1.00 90.06           C  
-ATOM   1386  NE  ARG A 178      14.607   4.278 -13.833  1.00 90.06           N  
-ATOM   1387  NH1 ARG A 178      16.606   5.425 -13.999  1.00 90.06           N  
-ATOM   1388  NH2 ARG A 178      15.465   5.382 -12.011  1.00 90.06           N  
-ATOM   1389  CZ  ARG A 178      15.559   5.027 -13.284  1.00 90.06           C  
-ATOM   1390  N   VAL A 179      10.047   1.942 -16.144  1.00 87.47           N  
-ATOM   1391  CA  VAL A 179       8.868   2.556 -15.544  1.00 87.47           C  
-ATOM   1392  C   VAL A 179       8.935   2.430 -14.024  1.00 87.47           C  
-ATOM   1393  CB  VAL A 179       7.564   1.918 -16.074  1.00 87.47           C  
-ATOM   1394  O   VAL A 179       9.131   1.334 -13.494  1.00 87.47           O  
-ATOM   1395  CG1 VAL A 179       6.342   2.596 -15.458  1.00 87.47           C  
-ATOM   1396  CG2 VAL A 179       7.512   2.001 -17.599  1.00 87.47           C  
-ATOM   1397  N   LYS A 180       8.857   3.555 -13.413  1.00 82.97           N  
-ATOM   1398  CA  LYS A 180       8.899   3.510 -11.954  1.00 82.97           C  
-ATOM   1399  C   LYS A 180       7.808   2.598 -11.401  1.00 82.97           C  
-ATOM   1400  CB  LYS A 180       8.755   4.915 -11.369  1.00 82.97           C  
-ATOM   1401  O   LYS A 180       6.635   2.740 -11.753  1.00 82.97           O  
-ATOM   1402  CG  LYS A 180       9.020   4.994  -9.873  1.00 82.97           C  
-ATOM   1403  CD  LYS A 180       8.928   6.426  -9.363  1.00 82.97           C  
-ATOM   1404  CE  LYS A 180       9.148   6.500  -7.858  1.00 82.97           C  
-ATOM   1405  NZ  LYS A 180       9.083   7.905  -7.357  1.00 82.97           N  
-ATOM   1406  N   THR A 181       8.239   1.538 -10.685  1.00 82.44           N  
-ATOM   1407  CA  THR A 181       7.275   0.622 -10.085  1.00 82.44           C  
-ATOM   1408  C   THR A 181       6.679   1.220  -8.814  1.00 82.44           C  
-ATOM   1409  CB  THR A 181       7.923  -0.737  -9.760  1.00 82.44           C  
-ATOM   1410  O   THR A 181       7.412   1.630  -7.911  1.00 82.44           O  
-ATOM   1411  CG2 THR A 181       6.884  -1.738  -9.266  1.00 82.44           C  
-ATOM   1412  OG1 THR A 181       8.547  -1.257 -10.941  1.00 82.44           O  
-ATOM   1413  N   THR A 182       5.345   1.423  -8.796  1.00 81.30           N  
-ATOM   1414  CA  THR A 182       4.640   1.904  -7.614  1.00 81.30           C  
-ATOM   1415  C   THR A 182       3.744   0.812  -7.037  1.00 81.30           C  
-ATOM   1416  CB  THR A 182       3.793   3.150  -7.937  1.00 81.30           C  
-ATOM   1417  O   THR A 182       3.192  -0.002  -7.779  1.00 81.30           O  
-ATOM   1418  CG2 THR A 182       4.666   4.291  -8.448  1.00 81.30           C  
-ATOM   1419  OG1 THR A 182       2.826   2.816  -8.940  1.00 81.30           O  
-ATOM   1420  N   GLY A 183       3.760   0.642  -5.713  1.00 77.89           N  
-ATOM   1421  CA  GLY A 183       2.944  -0.375  -5.070  1.00 77.89           C  
-ATOM   1422  C   GLY A 183       3.512  -1.775  -5.213  1.00 77.89           C  
-ATOM   1423  O   GLY A 183       4.728  -1.949  -5.316  1.00 77.89           O  
-ATOM   1424  N   ILE A 184       2.647  -2.812  -5.124  1.00 82.49           N  
-ATOM   1425  CA  ILE A 184       3.021  -4.220  -5.198  1.00 82.49           C  
-ATOM   1426  C   ILE A 184       2.401  -4.854  -6.441  1.00 82.49           C  
-ATOM   1427  CB  ILE A 184       2.586  -4.988  -3.930  1.00 82.49           C  
-ATOM   1428  O   ILE A 184       1.181  -4.820  -6.619  1.00 82.49           O  
-ATOM   1429  CG1 ILE A 184       3.180  -4.332  -2.678  1.00 82.49           C  
-ATOM   1430  CG2 ILE A 184       2.995  -6.461  -4.024  1.00 82.49           C  
-ATOM   1431  CD1 ILE A 184       2.602  -4.856  -1.371  1.00 82.49           C  
-ATOM   1432  N   VAL A 185       3.251  -5.271  -7.314  1.00 84.78           N  
-ATOM   1433  CA  VAL A 185       2.777  -5.938  -8.523  1.00 84.78           C  
-ATOM   1434  C   VAL A 185       2.958  -7.448  -8.385  1.00 84.78           C  
-ATOM   1435  CB  VAL A 185       3.513  -5.425  -9.780  1.00 84.78           C  
-ATOM   1436  O   VAL A 185       4.036  -7.919  -8.016  1.00 84.78           O  
-ATOM   1437  CG1 VAL A 185       3.015  -6.148 -11.030  1.00 84.78           C  
-ATOM   1438  CG2 VAL A 185       3.334  -3.915  -9.925  1.00 84.78           C  
-ATOM   1439  N   GLU A 186       1.873  -8.210  -8.715  1.00 87.66           N  
-ATOM   1440  CA  GLU A 186       1.889  -9.666  -8.610  1.00 87.66           C  
-ATOM   1441  C   GLU A 186       1.904 -10.319  -9.989  1.00 87.66           C  
-ATOM   1442  CB  GLU A 186       0.683 -10.161  -7.807  1.00 87.66           C  
-ATOM   1443  O   GLU A 186       1.107  -9.962 -10.859  1.00 87.66           O  
-ATOM   1444  CG  GLU A 186       0.684 -11.662  -7.558  1.00 87.66           C  
-ATOM   1445  CD  GLU A 186      -0.547 -12.146  -6.808  1.00 87.66           C  
-ATOM   1446  OE1 GLU A 186      -0.736 -13.378  -6.684  1.00 87.66           O  
-ATOM   1447  OE2 GLU A 186      -1.328 -11.288  -6.341  1.00 87.66           O  
-ATOM   1448  N   THR A 187       2.904 -11.233 -10.191  1.00 86.59           N  
-ATOM   1449  CA  THR A 187       3.000 -11.987 -11.437  1.00 86.59           C  
-ATOM   1450  C   THR A 187       2.897 -13.486 -11.171  1.00 86.59           C  
-ATOM   1451  CB  THR A 187       4.318 -11.683 -12.173  1.00 86.59           C  
-ATOM   1452  O   THR A 187       3.541 -14.006 -10.257  1.00 86.59           O  
-ATOM   1453  CG2 THR A 187       4.369 -12.388 -13.524  1.00 86.59           C  
-ATOM   1454  OG1 THR A 187       4.428 -10.269 -12.380  1.00 86.59           O  
-ATOM   1455  N   HIS A 188       2.070 -14.141 -11.967  1.00 86.92           N  
-ATOM   1456  CA  HIS A 188       1.847 -15.572 -11.800  1.00 86.92           C  
-ATOM   1457  C   HIS A 188       2.418 -16.360 -12.974  1.00 86.92           C  
-ATOM   1458  CB  HIS A 188       0.353 -15.867 -11.648  1.00 86.92           C  
-ATOM   1459  O   HIS A 188       2.248 -15.969 -14.131  1.00 86.92           O  
-ATOM   1460  CG  HIS A 188      -0.296 -15.115 -10.529  1.00 86.92           C  
-ATOM   1461  CD2 HIS A 188      -0.698 -13.826 -10.441  1.00 86.92           C  
-ATOM   1462  ND1 HIS A 188      -0.597 -15.698  -9.317  1.00 86.92           N  
-ATOM   1463  CE1 HIS A 188      -1.159 -14.796  -8.530  1.00 86.92           C  
-ATOM   1464  NE2 HIS A 188      -1.231 -13.652  -9.188  1.00 86.92           N  
-ATOM   1465  N   PHE A 189       3.108 -17.449 -12.695  1.00 86.96           N  
-ATOM   1466  CA  PHE A 189       3.580 -18.333 -13.754  1.00 86.96           C  
-ATOM   1467  C   PHE A 189       3.754 -19.755 -13.234  1.00 86.96           C  
-ATOM   1468  CB  PHE A 189       4.901 -17.821 -14.335  1.00 86.96           C  
-ATOM   1469  O   PHE A 189       3.847 -19.973 -12.024  1.00 86.96           O  
-ATOM   1470  CG  PHE A 189       6.013 -17.728 -13.325  1.00 86.96           C  
-ATOM   1471  CD1 PHE A 189       6.167 -16.591 -12.542  1.00 86.96           C  
-ATOM   1472  CD2 PHE A 189       6.905 -18.780 -13.159  1.00 86.96           C  
-ATOM   1473  CE1 PHE A 189       7.195 -16.503 -11.606  1.00 86.96           C  
-ATOM   1474  CE2 PHE A 189       7.935 -18.699 -12.226  1.00 86.96           C  
-ATOM   1475  CZ  PHE A 189       8.079 -17.559 -11.451  1.00 86.96           C  
-ATOM   1476  N   THR A 190       3.672 -20.704 -14.108  1.00 83.01           N  
-ATOM   1477  CA  THR A 190       3.828 -22.111 -13.757  1.00 83.01           C  
-ATOM   1478  C   THR A 190       5.155 -22.655 -14.279  1.00 83.01           C  
-ATOM   1479  CB  THR A 190       2.668 -22.958 -14.313  1.00 83.01           C  
-ATOM   1480  O   THR A 190       5.532 -22.393 -15.423  1.00 83.01           O  
-ATOM   1481  CG2 THR A 190       2.782 -24.410 -13.861  1.00 83.01           C  
-ATOM   1482  OG1 THR A 190       1.425 -22.420 -13.846  1.00 83.01           O  
-ATOM   1483  N   PHE A 191       5.846 -23.341 -13.379  1.00 81.88           N  
-ATOM   1484  CA  PHE A 191       7.132 -23.943 -13.712  1.00 81.88           C  
-ATOM   1485  C   PHE A 191       7.317 -25.266 -12.978  1.00 81.88           C  
-ATOM   1486  CB  PHE A 191       8.279 -22.987 -13.370  1.00 81.88           C  
-ATOM   1487  O   PHE A 191       7.177 -25.327 -11.754  1.00 81.88           O  
-ATOM   1488  CG  PHE A 191       9.642 -23.533 -13.699  1.00 81.88           C  
-ATOM   1489  CD1 PHE A 191      10.566 -23.787 -12.692  1.00 81.88           C  
-ATOM   1490  CD2 PHE A 191      10.000 -23.792 -15.015  1.00 81.88           C  
-ATOM   1491  CE1 PHE A 191      11.829 -24.293 -12.994  1.00 81.88           C  
-ATOM   1492  CE2 PHE A 191      11.260 -24.297 -15.325  1.00 81.88           C  
-ATOM   1493  CZ  PHE A 191      12.173 -24.546 -14.313  1.00 81.88           C  
-ATOM   1494  N   LYS A 192       7.598 -26.425 -13.661  1.00 78.26           N  
-ATOM   1495  CA  LYS A 192       7.791 -27.759 -13.100  1.00 78.26           C  
-ATOM   1496  C   LYS A 192       6.601 -28.171 -12.238  1.00 78.26           C  
-ATOM   1497  CB  LYS A 192       9.078 -27.814 -12.276  1.00 78.26           C  
-ATOM   1498  O   LYS A 192       6.776 -28.651 -11.117  1.00 78.26           O  
-ATOM   1499  CG  LYS A 192      10.349 -27.684 -13.103  1.00 78.26           C  
-ATOM   1500  CD  LYS A 192      11.591 -27.968 -12.269  1.00 78.26           C  
-ATOM   1501  CE  LYS A 192      12.849 -27.991 -13.126  1.00 78.26           C  
-ATOM   1502  NZ  LYS A 192      14.067 -28.290 -12.316  1.00 78.26           N  
-ATOM   1503  N   ASP A 193       5.296 -27.780 -12.610  1.00 74.21           N  
-ATOM   1504  CA  ASP A 193       4.032 -28.191 -12.006  1.00 74.21           C  
-ATOM   1505  C   ASP A 193       3.791 -27.462 -10.686  1.00 74.21           C  
-ATOM   1506  CB  ASP A 193       4.010 -29.705 -11.784  1.00 74.21           C  
-ATOM   1507  O   ASP A 193       2.968 -27.892  -9.876  1.00 74.21           O  
-ATOM   1508  CG  ASP A 193       4.000 -30.495 -13.080  1.00 74.21           C  
-ATOM   1509  OD1 ASP A 193       3.371 -30.046 -14.063  1.00 74.21           O  
-ATOM   1510  OD2 ASP A 193       4.623 -31.578 -13.119  1.00 74.21           O  
-ATOM   1511  N   LEU A 194       4.687 -26.470 -10.411  1.00 78.78           N  
-ATOM   1512  CA  LEU A 194       4.475 -25.589  -9.268  1.00 78.78           C  
-ATOM   1513  C   LEU A 194       3.943 -24.233  -9.718  1.00 78.78           C  
-ATOM   1514  CB  LEU A 194       5.777 -25.406  -8.483  1.00 78.78           C  
-ATOM   1515  O   LEU A 194       4.323 -23.734 -10.780  1.00 78.78           O  
-ATOM   1516  CG  LEU A 194       6.350 -26.658  -7.818  1.00 78.78           C  
-ATOM   1517  CD1 LEU A 194       7.751 -26.380  -7.283  1.00 78.78           C  
-ATOM   1518  CD2 LEU A 194       5.431 -27.138  -6.700  1.00 78.78           C  
-ATOM   1519  N   HIS A 195       3.040 -23.716  -8.968  1.00 82.76           N  
-ATOM   1520  CA  HIS A 195       2.493 -22.388  -9.221  1.00 82.76           C  
-ATOM   1521  C   HIS A 195       3.268 -21.319  -8.456  1.00 82.76           C  
-ATOM   1522  CB  HIS A 195       1.013 -22.336  -8.840  1.00 82.76           C  
-ATOM   1523  O   HIS A 195       3.353 -21.369  -7.226  1.00 82.76           O  
-ATOM   1524  CG  HIS A 195       0.137 -23.164  -9.726  1.00 82.76           C  
-ATOM   1525  CD2 HIS A 195      -0.451 -24.366  -9.521  1.00 82.76           C  
-ATOM   1526  ND1 HIS A 195      -0.220 -22.771 -10.998  1.00 82.76           N  
-ATOM   1527  CE1 HIS A 195      -0.992 -23.699 -11.538  1.00 82.76           C  
-ATOM   1528  NE2 HIS A 195      -1.148 -24.677 -10.663  1.00 82.76           N  
-ATOM   1529  N   PHE A 196       3.943 -20.423  -9.256  1.00 87.22           N  
-ATOM   1530  CA  PHE A 196       4.746 -19.372  -8.642  1.00 87.22           C  
-ATOM   1531  C   PHE A 196       3.978 -18.056  -8.606  1.00 87.22           C  
-ATOM   1532  CB  PHE A 196       6.064 -19.190  -9.400  1.00 87.22           C  
-ATOM   1533  O   PHE A 196       3.317 -17.690  -9.580  1.00 87.22           O  
-ATOM   1534  CG  PHE A 196       7.059 -20.294  -9.162  1.00 87.22           C  
-ATOM   1535  CD1 PHE A 196       8.071 -20.146  -8.222  1.00 87.22           C  
-ATOM   1536  CD2 PHE A 196       6.981 -21.481  -9.879  1.00 87.22           C  
-ATOM   1537  CE1 PHE A 196       8.993 -21.167  -8.000  1.00 87.22           C  
-ATOM   1538  CE2 PHE A 196       7.898 -22.505  -9.663  1.00 87.22           C  
-ATOM   1539  CZ  PHE A 196       8.904 -22.346  -8.723  1.00 87.22           C  
-ATOM   1540  N   LYS A 197       4.007 -17.491  -7.434  1.00 88.34           N  
-ATOM   1541  CA  LYS A 197       3.555 -16.115  -7.252  1.00 88.34           C  
-ATOM   1542  C   LYS A 197       4.720 -15.198  -6.888  1.00 88.34           C  
-ATOM   1543  CB  LYS A 197       2.475 -16.042  -6.172  1.00 88.34           C  
-ATOM   1544  O   LYS A 197       5.312 -15.333  -5.815  1.00 88.34           O  
-ATOM   1545  CG  LYS A 197       1.710 -14.727  -6.148  1.00 88.34           C  
-ATOM   1546  CD  LYS A 197       0.538 -14.779  -5.177  1.00 88.34           C  
-ATOM   1547  CE  LYS A 197      -0.234 -13.467  -5.159  1.00 88.34           C  
-ATOM   1548  NZ  LYS A 197      -1.396 -13.520  -4.222  1.00 88.34           N  
-ATOM   1549  N   MET A 198       5.015 -14.346  -7.898  1.00 90.46           N  
-ATOM   1550  CA  MET A 198       6.151 -13.449  -7.703  1.00 90.46           C  
-ATOM   1551  C   MET A 198       5.679 -12.031  -7.400  1.00 90.46           C  
-ATOM   1552  CB  MET A 198       7.054 -13.448  -8.937  1.00 90.46           C  
-ATOM   1553  O   MET A 198       4.825 -11.493  -8.106  1.00 90.46           O  
-ATOM   1554  CG  MET A 198       8.349 -12.673  -8.748  1.00 90.46           C  
-ATOM   1555  SD  MET A 198       9.546 -12.963 -10.108  1.00 90.46           S  
-ATOM   1556  CE  MET A 198       8.687 -12.130 -11.473  1.00 90.46           C  
-ATOM   1557  N   PHE A 199       6.179 -11.473  -6.270  1.00 90.65           N  
-ATOM   1558  CA  PHE A 199       5.801 -10.132  -5.838  1.00 90.65           C  
-ATOM   1559  C   PHE A 199       6.920  -9.137  -6.122  1.00 90.65           C  
-ATOM   1560  CB  PHE A 199       5.458 -10.124  -4.345  1.00 90.65           C  
-ATOM   1561  O   PHE A 199       8.044  -9.306  -5.646  1.00 90.65           O  
-ATOM   1562  CG  PHE A 199       4.342 -11.063  -3.974  1.00 90.65           C  
-ATOM   1563  CD1 PHE A 199       3.024 -10.622  -3.945  1.00 90.65           C  
-ATOM   1564  CD2 PHE A 199       4.610 -12.387  -3.653  1.00 90.65           C  
-ATOM   1565  CE1 PHE A 199       1.989 -11.488  -3.601  1.00 90.65           C  
-ATOM   1566  CE2 PHE A 199       3.581 -13.259  -3.310  1.00 90.65           C  
-ATOM   1567  CZ  PHE A 199       2.271 -12.807  -3.283  1.00 90.65           C  
-ATOM   1568  N   ASP A 200       6.599  -8.127  -7.014  1.00 92.04           N  
-ATOM   1569  CA  ASP A 200       7.510  -7.042  -7.363  1.00 92.04           C  
-ATOM   1570  C   ASP A 200       7.130  -5.751  -6.641  1.00 92.04           C  
-ATOM   1571  CB  ASP A 200       7.521  -6.815  -8.876  1.00 92.04           C  
-ATOM   1572  O   ASP A 200       6.078  -5.168  -6.914  1.00 92.04           O  
-ATOM   1573  CG  ASP A 200       8.525  -5.762  -9.311  1.00 92.04           C  
-ATOM   1574  OD1 ASP A 200       9.530  -5.546  -8.599  1.00 92.04           O  
-ATOM   1575  OD2 ASP A 200       8.309  -5.140 -10.374  1.00 92.04           O  
-ATOM   1576  N   VAL A 201       7.909  -5.398  -5.633  1.00 89.98           N  
-ATOM   1577  CA  VAL A 201       7.600  -4.209  -4.845  1.00 89.98           C  
-ATOM   1578  C   VAL A 201       8.515  -3.060  -5.263  1.00 89.98           C  
-ATOM   1579  CB  VAL A 201       7.742  -4.480  -3.330  1.00 89.98           C  
-ATOM   1580  O   VAL A 201       9.640  -3.286  -5.713  1.00 89.98           O  
-ATOM   1581  CG1 VAL A 201       6.712  -5.507  -2.866  1.00 89.98           C  
-ATOM   1582  CG2 VAL A 201       9.158  -4.953  -3.004  1.00 89.98           C  
-ATOM   1583  N   GLY A 202       8.005  -1.872  -5.285  1.00 86.83           N  
-ATOM   1584  CA  GLY A 202       8.835  -0.719  -5.596  1.00 86.83           C  
-ATOM   1585  C   GLY A 202      10.043  -0.592  -4.687  1.00 86.83           C  
-ATOM   1586  O   GLY A 202       9.938  -0.785  -3.474  1.00 86.83           O  
-ATOM   1587  N   GLY A 203      11.151  -0.268  -5.190  1.00 85.24           N  
-ATOM   1588  CA  GLY A 203      12.411  -0.252  -4.465  1.00 85.24           C  
-ATOM   1589  C   GLY A 203      12.816   1.135  -4.002  1.00 85.24           C  
-ATOM   1590  O   GLY A 203      13.765   1.284  -3.229  1.00 85.24           O  
-ATOM   1591  N   GLN A 204      11.970   2.157  -4.329  1.00 83.82           N  
-ATOM   1592  CA  GLN A 204      12.269   3.520  -3.902  1.00 83.82           C  
-ATOM   1593  C   GLN A 204      11.912   3.728  -2.433  1.00 83.82           C  
-ATOM   1594  CB  GLN A 204      11.522   4.531  -4.773  1.00 83.82           C  
-ATOM   1595  O   GLN A 204      11.029   3.051  -1.902  1.00 83.82           O  
-ATOM   1596  CG  GLN A 204      11.968   4.537  -6.229  1.00 83.82           C  
-ATOM   1597  CD  GLN A 204      11.280   5.612  -7.049  1.00 83.82           C  
-ATOM   1598  NE2 GLN A 204      11.735   5.798  -8.284  1.00 83.82           N  
-ATOM   1599  OE1 GLN A 204      10.347   6.269  -6.577  1.00 83.82           O  
-ATOM   1600  N   ARG A 205      12.602   4.674  -1.749  1.00 84.76           N  
-ATOM   1601  CA  ARG A 205      12.428   4.866  -0.313  1.00 84.76           C  
-ATOM   1602  C   ARG A 205      10.962   5.106   0.034  1.00 84.76           C  
-ATOM   1603  CB  ARG A 205      13.281   6.037   0.180  1.00 84.76           C  
-ATOM   1604  O   ARG A 205      10.467   4.599   1.042  1.00 84.76           O  
-ATOM   1605  CG  ARG A 205      14.756   5.700   0.338  1.00 84.76           C  
-ATOM   1606  CD  ARG A 205      15.512   6.807   1.060  1.00 84.76           C  
-ATOM   1607  NE  ARG A 205      16.941   6.516   1.144  1.00 84.76           N  
-ATOM   1608  NH1 ARG A 205      17.452   8.367   2.429  1.00 84.76           N  
-ATOM   1609  NH2 ARG A 205      19.106   6.908   1.804  1.00 84.76           N  
-ATOM   1610  CZ  ARG A 205      17.830   7.264   1.792  1.00 84.76           C  
-ATOM   1611  N   SER A 206      10.184   5.850  -0.731  1.00 78.59           N  
-ATOM   1612  CA  SER A 206       8.786   6.195  -0.493  1.00 78.59           C  
-ATOM   1613  C   SER A 206       7.888   4.967  -0.598  1.00 78.59           C  
-ATOM   1614  CB  SER A 206       8.321   7.262  -1.485  1.00 78.59           C  
-ATOM   1615  O   SER A 206       6.775   4.958  -0.068  1.00 78.59           O  
-ATOM   1616  OG  SER A 206       8.474   6.810  -2.819  1.00 78.59           O  
-ATOM   1617  N   GLU A 207       8.370   3.890  -1.190  1.00 83.78           N  
-ATOM   1618  CA  GLU A 207       7.556   2.705  -1.441  1.00 83.78           C  
-ATOM   1619  C   GLU A 207       7.860   1.602  -0.431  1.00 83.78           C  
-ATOM   1620  CB  GLU A 207       7.780   2.190  -2.865  1.00 83.78           C  
-ATOM   1621  O   GLU A 207       7.110   0.631  -0.319  1.00 83.78           O  
-ATOM   1622  CG  GLU A 207       7.317   3.155  -3.947  1.00 83.78           C  
-ATOM   1623  CD  GLU A 207       5.826   3.445  -3.895  1.00 83.78           C  
-ATOM   1624  OE1 GLU A 207       5.439   4.636  -3.892  1.00 83.78           O  
-ATOM   1625  OE2 GLU A 207       5.038   2.474  -3.856  1.00 83.78           O  
-ATOM   1626  N   ARG A 208       8.906   1.693   0.322  1.00 84.92           N  
-ATOM   1627  CA  ARG A 208       9.430   0.630   1.173  1.00 84.92           C  
-ATOM   1628  C   ARG A 208       8.477   0.332   2.326  1.00 84.92           C  
-ATOM   1629  CB  ARG A 208      10.809   1.008   1.718  1.00 84.92           C  
-ATOM   1630  O   ARG A 208       8.458  -0.784   2.850  1.00 84.92           O  
-ATOM   1631  CG  ARG A 208      11.912   0.986   0.671  1.00 84.92           C  
-ATOM   1632  CD  ARG A 208      13.253   1.407   1.256  1.00 84.92           C  
-ATOM   1633  NE  ARG A 208      14.244   1.648   0.212  1.00 84.92           N  
-ATOM   1634  NH1 ARG A 208      15.831   2.537   1.635  1.00 84.92           N  
-ATOM   1635  NH2 ARG A 208      16.271   2.354  -0.607  1.00 84.92           N  
-ATOM   1636  CZ  ARG A 208      15.447   2.179   0.416  1.00 84.92           C  
-ATOM   1637  N   LYS A 209       7.666   1.313   2.739  1.00 79.06           N  
-ATOM   1638  CA  LYS A 209       6.705   1.113   3.820  1.00 79.06           C  
-ATOM   1639  C   LYS A 209       5.671   0.054   3.448  1.00 79.06           C  
-ATOM   1640  CB  LYS A 209       6.006   2.428   4.168  1.00 79.06           C  
-ATOM   1641  O   LYS A 209       5.068  -0.568   4.326  1.00 79.06           O  
-ATOM   1642  CG  LYS A 209       6.912   3.454   4.832  1.00 79.06           C  
-ATOM   1643  CD  LYS A 209       6.145   4.714   5.212  1.00 79.06           C  
-ATOM   1644  CE  LYS A 209       7.060   5.759   5.838  1.00 79.06           C  
-ATOM   1645  NZ  LYS A 209       6.327   7.024   6.144  1.00 79.06           N  
-ATOM   1646  N   LYS A 210       5.563  -0.228   2.208  1.00 79.65           N  
-ATOM   1647  CA  LYS A 210       4.558  -1.165   1.714  1.00 79.65           C  
-ATOM   1648  C   LYS A 210       5.089  -2.596   1.721  1.00 79.65           C  
-ATOM   1649  CB  LYS A 210       4.112  -0.779   0.303  1.00 79.65           C  
-ATOM   1650  O   LYS A 210       4.318  -3.550   1.594  1.00 79.65           O  
-ATOM   1651  CG  LYS A 210       3.396   0.562   0.225  1.00 79.65           C  
-ATOM   1652  CD  LYS A 210       3.024   0.914  -1.210  1.00 79.65           C  
-ATOM   1653  CE  LYS A 210       2.401   2.300  -1.302  1.00 79.65           C  
-ATOM   1654  NZ  LYS A 210       2.120   2.688  -2.717  1.00 79.65           N  
-ATOM   1655  N   TRP A 211       6.460  -2.789   1.891  1.00 85.45           N  
-ATOM   1656  CA  TRP A 211       7.107  -4.096   1.846  1.00 85.45           C  
-ATOM   1657  C   TRP A 211       6.493  -5.043   2.872  1.00 85.45           C  
-ATOM   1658  CB  TRP A 211       8.612  -3.961   2.095  1.00 85.45           C  
-ATOM   1659  O   TRP A 211       6.302  -6.230   2.595  1.00 85.45           O  
-ATOM   1660  CG  TRP A 211       9.363  -3.335   0.958  1.00 85.45           C  
-ATOM   1661  CD1 TRP A 211       8.834  -2.663  -0.109  1.00 85.45           C  
-ATOM   1662  CD2 TRP A 211      10.781  -3.330   0.772  1.00 85.45           C  
-ATOM   1663  CE2 TRP A 211      11.043  -2.634  -0.429  1.00 85.45           C  
-ATOM   1664  CE3 TRP A 211      11.858  -3.845   1.506  1.00 85.45           C  
-ATOM   1665  NE1 TRP A 211       9.839  -2.239  -0.946  1.00 85.45           N  
-ATOM   1666  CH2 TRP A 211      13.374  -2.955  -0.176  1.00 85.45           C  
-ATOM   1667  CZ2 TRP A 211      12.339  -2.441  -0.913  1.00 85.45           C  
-ATOM   1668  CZ3 TRP A 211      13.147  -3.651   1.023  1.00 85.45           C  
-ATOM   1669  N   ILE A 212       6.151  -4.499   4.006  1.00 79.43           N  
-ATOM   1670  CA  ILE A 212       5.707  -5.307   5.137  1.00 79.43           C  
-ATOM   1671  C   ILE A 212       4.397  -6.010   4.786  1.00 79.43           C  
-ATOM   1672  CB  ILE A 212       5.531  -4.450   6.410  1.00 79.43           C  
-ATOM   1673  O   ILE A 212       4.065  -7.044   5.370  1.00 79.43           O  
-ATOM   1674  CG1 ILE A 212       5.302  -5.348   7.631  1.00 79.43           C  
-ATOM   1675  CG2 ILE A 212       4.378  -3.456   6.237  1.00 79.43           C  
-ATOM   1676  CD1 ILE A 212       5.490  -4.638   8.965  1.00 79.43           C  
-ATOM   1677  N   HIS A 213       3.721  -5.514   3.790  1.00 74.79           N  
-ATOM   1678  CA  HIS A 213       2.424  -6.063   3.412  1.00 74.79           C  
-ATOM   1679  C   HIS A 213       2.581  -7.369   2.640  1.00 74.79           C  
-ATOM   1680  CB  HIS A 213       1.637  -5.052   2.576  1.00 74.79           C  
-ATOM   1681  O   HIS A 213       1.622  -8.131   2.499  1.00 74.79           O  
-ATOM   1682  CG  HIS A 213       1.264  -3.813   3.328  1.00 74.79           C  
-ATOM   1683  CD2 HIS A 213       1.711  -2.540   3.220  1.00 74.79           C  
-ATOM   1684  ND1 HIS A 213       0.322  -3.809   4.334  1.00 74.79           N  
-ATOM   1685  CE1 HIS A 213       0.205  -2.581   4.813  1.00 74.79           C  
-ATOM   1686  NE2 HIS A 213       1.037  -1.793   4.154  1.00 74.79           N  
-ATOM   1687  N   CYS A 214       3.902  -7.619   2.251  1.00 82.21           N  
-ATOM   1688  CA  CYS A 214       4.119  -8.810   1.436  1.00 82.21           C  
-ATOM   1689  C   CYS A 214       4.948  -9.843   2.189  1.00 82.21           C  
-ATOM   1690  CB  CYS A 214       4.813  -8.442   0.125  1.00 82.21           C  
-ATOM   1691  O   CYS A 214       5.343 -10.862   1.621  1.00 82.21           O  
-ATOM   1692  SG  CYS A 214       3.892  -7.257  -0.880  1.00 82.21           S  
-ATOM   1693  N   PHE A 215       5.226  -9.633   3.513  1.00 82.22           N  
-ATOM   1694  CA  PHE A 215       6.172 -10.441   4.273  1.00 82.22           C  
-ATOM   1695  C   PHE A 215       5.528 -11.745   4.728  1.00 82.22           C  
-ATOM   1696  CB  PHE A 215       6.695  -9.662   5.484  1.00 82.22           C  
-ATOM   1697  O   PHE A 215       6.221 -12.735   4.970  1.00 82.22           O  
-ATOM   1698  CG  PHE A 215       7.798  -8.693   5.153  1.00 82.22           C  
-ATOM   1699  CD1 PHE A 215       8.107  -8.396   3.831  1.00 82.22           C  
-ATOM   1700  CD2 PHE A 215       8.526  -8.080   6.164  1.00 82.22           C  
-ATOM   1701  CE1 PHE A 215       9.128  -7.499   3.522  1.00 82.22           C  
-ATOM   1702  CE2 PHE A 215       9.547  -7.183   5.863  1.00 82.22           C  
-ATOM   1703  CZ  PHE A 215       9.847  -6.895   4.541  1.00 82.22           C  
-ATOM   1704  N   GLU A 216       4.203 -11.801   4.603  1.00 76.78           N  
-ATOM   1705  CA  GLU A 216       3.540 -12.984   5.141  1.00 76.78           C  
-ATOM   1706  C   GLU A 216       3.508 -14.113   4.114  1.00 76.78           C  
-ATOM   1707  CB  GLU A 216       2.117 -12.644   5.593  1.00 76.78           C  
-ATOM   1708  O   GLU A 216       3.123 -13.901   2.963  1.00 76.78           O  
-ATOM   1709  CG  GLU A 216       1.453 -13.743   6.411  1.00 76.78           C  
-ATOM   1710  CD  GLU A 216       0.068 -13.364   6.912  1.00 76.78           C  
-ATOM   1711  OE1 GLU A 216      -0.578 -14.191   7.594  1.00 76.78           O  
-ATOM   1712  OE2 GLU A 216      -0.375 -12.231   6.618  1.00 76.78           O  
-ATOM   1713  N   GLY A 217       3.905 -15.318   4.585  1.00 75.17           N  
-ATOM   1714  CA  GLY A 217       3.744 -16.546   3.822  1.00 75.17           C  
-ATOM   1715  C   GLY A 217       4.672 -16.630   2.625  1.00 75.17           C  
-ATOM   1716  O   GLY A 217       4.352 -17.281   1.629  1.00 75.17           O  
-ATOM   1717  N   VAL A 218       5.829 -15.811   2.711  1.00 86.41           N  
-ATOM   1718  CA  VAL A 218       6.812 -15.809   1.634  1.00 86.41           C  
-ATOM   1719  C   VAL A 218       7.663 -17.075   1.708  1.00 86.41           C  
-ATOM   1720  CB  VAL A 218       7.715 -14.557   1.692  1.00 86.41           C  
-ATOM   1721  O   VAL A 218       8.170 -17.428   2.776  1.00 86.41           O  
-ATOM   1722  CG1 VAL A 218       8.814 -14.633   0.633  1.00 86.41           C  
-ATOM   1723  CG2 VAL A 218       6.881 -13.290   1.510  1.00 86.41           C  
-ATOM   1724  N   THR A 219       7.754 -17.741   0.549  1.00 86.12           N  
-ATOM   1725  CA  THR A 219       8.531 -18.973   0.470  1.00 86.12           C  
-ATOM   1726  C   THR A 219      10.020 -18.664   0.333  1.00 86.12           C  
-ATOM   1727  CB  THR A 219       8.075 -19.847  -0.713  1.00 86.12           C  
-ATOM   1728  O   THR A 219      10.853 -19.300   0.981  1.00 86.12           O  
-ATOM   1729  CG2 THR A 219       8.803 -21.187  -0.720  1.00 86.12           C  
-ATOM   1730  OG1 THR A 219       6.665 -20.082  -0.609  1.00 86.12           O  
-ATOM   1731  N   ALA A 220      10.348 -17.671  -0.515  1.00 90.61           N  
-ATOM   1732  CA  ALA A 220      11.731 -17.256  -0.731  1.00 90.61           C  
-ATOM   1733  C   ALA A 220      11.808 -15.782  -1.118  1.00 90.61           C  
-ATOM   1734  CB  ALA A 220      12.384 -18.121  -1.807  1.00 90.61           C  
-ATOM   1735  O   ALA A 220      10.884 -15.247  -1.736  1.00 90.61           O  
-ATOM   1736  N   ILE A 221      12.965 -15.135  -0.672  1.00 93.13           N  
-ATOM   1737  CA  ILE A 221      13.244 -13.750  -1.034  1.00 93.13           C  
-ATOM   1738  C   ILE A 221      14.366 -13.702  -2.068  1.00 93.13           C  
-ATOM   1739  CB  ILE A 221      13.621 -12.907   0.205  1.00 93.13           C  
-ATOM   1740  O   ILE A 221      15.396 -14.362  -1.907  1.00 93.13           O  
-ATOM   1741  CG1 ILE A 221      12.437 -12.826   1.176  1.00 93.13           C  
-ATOM   1742  CG2 ILE A 221      14.083 -11.508  -0.214  1.00 93.13           C  
-ATOM   1743  CD1 ILE A 221      12.776 -12.178   2.512  1.00 93.13           C  
-ATOM   1744  N   ILE A 222      14.101 -13.024  -3.147  1.00 94.92           N  
-ATOM   1745  CA  ILE A 222      15.161 -12.680  -4.088  1.00 94.92           C  
-ATOM   1746  C   ILE A 222      15.571 -11.222  -3.892  1.00 94.92           C  
-ATOM   1747  CB  ILE A 222      14.720 -12.921  -5.549  1.00 94.92           C  
-ATOM   1748  O   ILE A 222      14.798 -10.308  -4.188  1.00 94.92           O  
-ATOM   1749  CG1 ILE A 222      14.328 -14.389  -5.753  1.00 94.92           C  
-ATOM   1750  CG2 ILE A 222      15.828 -12.509  -6.523  1.00 94.92           C  
-ATOM   1751  CD1 ILE A 222      13.730 -14.685  -7.122  1.00 94.92           C  
-ATOM   1752  N   PHE A 223      16.725 -11.054  -3.302  1.00 96.58           N  
-ATOM   1753  CA  PHE A 223      17.222  -9.700  -3.088  1.00 96.58           C  
-ATOM   1754  C   PHE A 223      18.161  -9.283  -4.213  1.00 96.58           C  
-ATOM   1755  CB  PHE A 223      17.941  -9.597  -1.739  1.00 96.58           C  
-ATOM   1756  O   PHE A 223      19.216  -9.890  -4.405  1.00 96.58           O  
-ATOM   1757  CG  PHE A 223      18.199  -8.183  -1.294  1.00 96.58           C  
-ATOM   1758  CD1 PHE A 223      19.329  -7.499  -1.725  1.00 96.58           C  
-ATOM   1759  CD2 PHE A 223      17.310  -7.537  -0.445  1.00 96.58           C  
-ATOM   1760  CE1 PHE A 223      19.570  -6.190  -1.315  1.00 96.58           C  
-ATOM   1761  CE2 PHE A 223      17.544  -6.229  -0.031  1.00 96.58           C  
-ATOM   1762  CZ  PHE A 223      18.675  -5.557  -0.467  1.00 96.58           C  
-ATOM   1763  N   CYS A 224      17.781  -8.244  -4.960  1.00 96.78           N  
-ATOM   1764  CA  CYS A 224      18.531  -7.817  -6.136  1.00 96.78           C  
-ATOM   1765  C   CYS A 224      19.454  -6.652  -5.799  1.00 96.78           C  
-ATOM   1766  CB  CYS A 224      17.579  -7.416  -7.262  1.00 96.78           C  
-ATOM   1767  O   CYS A 224      19.013  -5.646  -5.240  1.00 96.78           O  
-ATOM   1768  SG  CYS A 224      16.589  -8.785  -7.901  1.00 96.78           S  
-ATOM   1769  N   VAL A 225      20.715  -6.772  -6.187  1.00 97.58           N  
-ATOM   1770  CA  VAL A 225      21.731  -5.742  -5.992  1.00 97.58           C  
-ATOM   1771  C   VAL A 225      22.322  -5.337  -7.340  1.00 97.58           C  
-ATOM   1772  CB  VAL A 225      22.850  -6.222  -5.041  1.00 97.58           C  
-ATOM   1773  O   VAL A 225      22.727  -6.194  -8.129  1.00 97.58           O  
-ATOM   1774  CG1 VAL A 225      23.921  -5.144  -4.880  1.00 97.58           C  
-ATOM   1775  CG2 VAL A 225      22.267  -6.607  -3.682  1.00 97.58           C  
-ATOM   1776  N   ALA A 226      22.287  -4.037  -7.628  1.00 96.55           N  
-ATOM   1777  CA  ALA A 226      22.933  -3.544  -8.841  1.00 96.55           C  
-ATOM   1778  C   ALA A 226      24.427  -3.324  -8.618  1.00 96.55           C  
-ATOM   1779  CB  ALA A 226      22.273  -2.249  -9.307  1.00 96.55           C  
-ATOM   1780  O   ALA A 226      24.825  -2.402  -7.902  1.00 96.55           O  
-ATOM   1781  N   LEU A 227      25.269  -4.124  -9.273  1.00 97.00           N  
-ATOM   1782  CA  LEU A 227      26.717  -4.038  -9.121  1.00 97.00           C  
-ATOM   1783  C   LEU A 227      27.246  -2.721  -9.680  1.00 97.00           C  
-ATOM   1784  CB  LEU A 227      27.401  -5.215  -9.823  1.00 97.00           C  
-ATOM   1785  O   LEU A 227      28.241  -2.187  -9.185  1.00 97.00           O  
-ATOM   1786  CG  LEU A 227      27.312  -6.569  -9.118  1.00 97.00           C  
-ATOM   1787  CD1 LEU A 227      27.844  -7.674 -10.024  1.00 97.00           C  
-ATOM   1788  CD2 LEU A 227      28.077  -6.537  -7.799  1.00 97.00           C  
-ATOM   1789  N   SER A 228      26.587  -2.183 -10.635  1.00 94.98           N  
-ATOM   1790  CA  SER A 228      27.017  -0.987 -11.351  1.00 94.98           C  
-ATOM   1791  C   SER A 228      26.774   0.271 -10.524  1.00 94.98           C  
-ATOM   1792  CB  SER A 228      26.290  -0.873 -12.692  1.00 94.98           C  
-ATOM   1793  O   SER A 228      27.285   1.344 -10.851  1.00 94.98           O  
-ATOM   1794  OG  SER A 228      24.888  -0.803 -12.499  1.00 94.98           O  
-ATOM   1795  N   ASP A 229      26.152   0.224  -9.310  1.00 94.49           N  
-ATOM   1796  CA  ASP A 229      25.741   1.371  -8.506  1.00 94.49           C  
-ATOM   1797  C   ASP A 229      26.860   1.812  -7.565  1.00 94.49           C  
-ATOM   1798  CB  ASP A 229      24.480   1.040  -7.705  1.00 94.49           C  
-ATOM   1799  O   ASP A 229      26.723   2.811  -6.855  1.00 94.49           O  
-ATOM   1800  CG  ASP A 229      23.209   1.142  -8.531  1.00 94.49           C  
-ATOM   1801  OD1 ASP A 229      23.276   1.574  -9.702  1.00 94.49           O  
-ATOM   1802  OD2 ASP A 229      22.131   0.791  -8.004  1.00 94.49           O  
-ATOM   1803  N   TYR A 230      27.987   1.139  -7.562  1.00 95.12           N  
-ATOM   1804  CA  TYR A 230      29.028   1.355  -6.564  1.00 95.12           C  
-ATOM   1805  C   TYR A 230      29.587   2.770  -6.655  1.00 95.12           C  
-ATOM   1806  CB  TYR A 230      30.158   0.335  -6.736  1.00 95.12           C  
-ATOM   1807  O   TYR A 230      30.125   3.296  -5.678  1.00 95.12           O  
-ATOM   1808  CG  TYR A 230      31.018   0.582  -7.952  1.00 95.12           C  
-ATOM   1809  CD1 TYR A 230      30.694   0.019  -9.184  1.00 95.12           C  
-ATOM   1810  CD2 TYR A 230      32.156   1.377  -7.871  1.00 95.12           C  
-ATOM   1811  CE1 TYR A 230      31.484   0.242 -10.307  1.00 95.12           C  
-ATOM   1812  CE2 TYR A 230      32.954   1.606  -8.987  1.00 95.12           C  
-ATOM   1813  OH  TYR A 230      33.397   1.260 -11.307  1.00 95.12           O  
-ATOM   1814  CZ  TYR A 230      32.610   1.036 -10.199  1.00 95.12           C  
-ATOM   1815  N   ASP A 231      29.491   3.419  -7.764  1.00 93.70           N  
-ATOM   1816  CA  ASP A 231      30.072   4.746  -7.939  1.00 93.70           C  
-ATOM   1817  C   ASP A 231      28.986   5.800  -8.140  1.00 93.70           C  
-ATOM   1818  CB  ASP A 231      31.040   4.756  -9.124  1.00 93.70           C  
-ATOM   1819  O   ASP A 231      29.248   6.872  -8.688  1.00 93.70           O  
-ATOM   1820  CG  ASP A 231      30.362   4.443 -10.446  1.00 93.70           C  
-ATOM   1821  OD1 ASP A 231      29.181   4.033 -10.444  1.00 93.70           O  
-ATOM   1822  OD2 ASP A 231      31.015   4.604 -11.500  1.00 93.70           O  
-ATOM   1823  N   LEU A 232      27.725   5.507  -7.694  1.00 93.44           N  
-ATOM   1824  CA  LEU A 232      26.598   6.422  -7.840  1.00 93.44           C  
-ATOM   1825  C   LEU A 232      26.028   6.804  -6.478  1.00 93.44           C  
-ATOM   1826  CB  LEU A 232      25.504   5.791  -8.705  1.00 93.44           C  
-ATOM   1827  O   LEU A 232      26.108   6.025  -5.526  1.00 93.44           O  
-ATOM   1828  CG  LEU A 232      25.868   5.514 -10.164  1.00 93.44           C  
-ATOM   1829  CD1 LEU A 232      24.782   4.677 -10.832  1.00 93.44           C  
-ATOM   1830  CD2 LEU A 232      26.085   6.821 -10.919  1.00 93.44           C  
-ATOM   1831  N   VAL A 233      25.394   7.979  -6.439  1.00 92.19           N  
-ATOM   1832  CA  VAL A 233      24.668   8.408  -5.249  1.00 92.19           C  
-ATOM   1833  C   VAL A 233      23.165   8.324  -5.502  1.00 92.19           C  
-ATOM   1834  CB  VAL A 233      25.059   9.844  -4.832  1.00 92.19           C  
-ATOM   1835  O   VAL A 233      22.725   8.266  -6.653  1.00 92.19           O  
-ATOM   1836  CG1 VAL A 233      26.533   9.909  -4.435  1.00 92.19           C  
-ATOM   1837  CG2 VAL A 233      24.763  10.827  -5.964  1.00 92.19           C  
-ATOM   1838  N   LEU A 234      22.351   8.304  -4.458  1.00 87.30           N  
-ATOM   1839  CA  LEU A 234      20.898   8.234  -4.568  1.00 87.30           C  
-ATOM   1840  C   LEU A 234      20.336   9.520  -5.165  1.00 87.30           C  
-ATOM   1841  CB  LEU A 234      20.267   7.976  -3.198  1.00 87.30           C  
-ATOM   1842  O   LEU A 234      20.828  10.612  -4.873  1.00 87.30           O  
-ATOM   1843  CG  LEU A 234      20.517   6.596  -2.586  1.00 87.30           C  
-ATOM   1844  CD1 LEU A 234      19.973   6.542  -1.162  1.00 87.30           C  
-ATOM   1845  CD2 LEU A 234      19.885   5.507  -3.447  1.00 87.30           C  
-ATOM   1846  N   ALA A 235      19.313   9.359  -5.999  1.00 84.65           N  
-ATOM   1847  CA  ALA A 235      18.644  10.537  -6.546  1.00 84.65           C  
-ATOM   1848  C   ALA A 235      18.004  11.368  -5.438  1.00 84.65           C  
-ATOM   1849  CB  ALA A 235      17.591  10.123  -7.572  1.00 84.65           C  
-ATOM   1850  O   ALA A 235      18.016  12.600  -5.492  1.00 84.65           O  
-ATOM   1851  N   GLU A 236      17.542  10.655  -4.328  1.00 82.14           N  
-ATOM   1852  CA  GLU A 236      16.798  11.235  -3.214  1.00 82.14           C  
-ATOM   1853  C   GLU A 236      17.740  11.832  -2.172  1.00 82.14           C  
-ATOM   1854  CB  GLU A 236      15.894  10.183  -2.566  1.00 82.14           C  
-ATOM   1855  O   GLU A 236      17.326  12.656  -1.354  1.00 82.14           O  
-ATOM   1856  CG  GLU A 236      14.913   9.535  -3.532  1.00 82.14           C  
-ATOM   1857  CD  GLU A 236      15.416   8.221  -4.106  1.00 82.14           C  
-ATOM   1858  OE1 GLU A 236      14.618   7.488  -4.734  1.00 82.14           O  
-ATOM   1859  OE2 GLU A 236      16.617   7.921  -3.927  1.00 82.14           O  
-ATOM   1860  N   ASP A 237      18.972  11.314  -2.173  1.00 85.32           N  
-ATOM   1861  CA  ASP A 237      19.973  11.723  -1.192  1.00 85.32           C  
-ATOM   1862  C   ASP A 237      21.373  11.724  -1.803  1.00 85.32           C  
-ATOM   1863  CB  ASP A 237      19.934  10.805   0.031  1.00 85.32           C  
-ATOM   1864  O   ASP A 237      22.000  10.671  -1.932  1.00 85.32           O  
-ATOM   1865  CG  ASP A 237      20.848  11.269   1.151  1.00 85.32           C  
-ATOM   1866  OD1 ASP A 237      21.597  12.251   0.959  1.00 85.32           O  
-ATOM   1867  OD2 ASP A 237      20.821  10.645   2.234  1.00 85.32           O  
-ATOM   1868  N   GLU A 238      21.950  12.870  -2.160  1.00 86.09           N  
-ATOM   1869  CA  GLU A 238      23.212  13.019  -2.878  1.00 86.09           C  
-ATOM   1870  C   GLU A 238      24.402  12.717  -1.972  1.00 86.09           C  
-ATOM   1871  CB  GLU A 238      23.337  14.431  -3.457  1.00 86.09           C  
-ATOM   1872  O   GLU A 238      25.542  12.658  -2.435  1.00 86.09           O  
-ATOM   1873  CG  GLU A 238      22.369  14.717  -4.596  1.00 86.09           C  
-ATOM   1874  CD  GLU A 238      22.536  16.106  -5.191  1.00 86.09           C  
-ATOM   1875  OE1 GLU A 238      21.831  16.435  -6.172  1.00 86.09           O  
-ATOM   1876  OE2 GLU A 238      23.378  16.872  -4.671  1.00 86.09           O  
-ATOM   1877  N   GLU A 239      24.176  12.397  -0.722  1.00 88.69           N  
-ATOM   1878  CA  GLU A 239      25.233  12.110   0.244  1.00 88.69           C  
-ATOM   1879  C   GLU A 239      25.368  10.609   0.484  1.00 88.69           C  
-ATOM   1880  CB  GLU A 239      24.963  12.832   1.566  1.00 88.69           C  
-ATOM   1881  O   GLU A 239      26.336  10.158   1.099  1.00 88.69           O  
-ATOM   1882  CG  GLU A 239      25.035  14.349   1.465  1.00 88.69           C  
-ATOM   1883  CD  GLU A 239      24.901  15.047   2.808  1.00 88.69           C  
-ATOM   1884  OE1 GLU A 239      25.195  16.261   2.893  1.00 88.69           O  
-ATOM   1885  OE2 GLU A 239      24.498  14.375   3.784  1.00 88.69           O  
-ATOM   1886  N   MET A 240      24.351   9.892   0.021  1.00 91.01           N  
-ATOM   1887  CA  MET A 240      24.330   8.451   0.256  1.00 91.01           C  
-ATOM   1888  C   MET A 240      24.699   7.687  -1.010  1.00 91.01           C  
-ATOM   1889  CB  MET A 240      22.952   8.007   0.752  1.00 91.01           C  
-ATOM   1890  O   MET A 240      24.048   7.839  -2.045  1.00 91.01           O  
-ATOM   1891  CG  MET A 240      22.851   6.516   1.027  1.00 91.01           C  
-ATOM   1892  SD  MET A 240      23.857   5.998   2.472  1.00 91.01           S  
-ATOM   1893  CE  MET A 240      22.796   6.579   3.825  1.00 91.01           C  
-ATOM   1894  N   ASN A 241      25.765   6.816  -0.939  1.00 94.21           N  
-ATOM   1895  CA  ASN A 241      26.134   5.917  -2.027  1.00 94.21           C  
-ATOM   1896  C   ASN A 241      25.097   4.815  -2.220  1.00 94.21           C  
-ATOM   1897  CB  ASN A 241      27.516   5.309  -1.776  1.00 94.21           C  
-ATOM   1898  O   ASN A 241      24.591   4.256  -1.246  1.00 94.21           O  
-ATOM   1899  CG  ASN A 241      27.946   4.360  -2.877  1.00 94.21           C  
-ATOM   1900  ND2 ASN A 241      28.666   4.884  -3.862  1.00 94.21           N  
-ATOM   1901  OD1 ASN A 241      27.632   3.168  -2.844  1.00 94.21           O  
-ATOM   1902  N   ARG A 242      24.695   4.530  -3.426  1.00 94.02           N  
-ATOM   1903  CA  ARG A 242      23.628   3.591  -3.756  1.00 94.02           C  
-ATOM   1904  C   ARG A 242      23.977   2.180  -3.296  1.00 94.02           C  
-ATOM   1905  CB  ARG A 242      23.352   3.598  -5.261  1.00 94.02           C  
-ATOM   1906  O   ARG A 242      23.103   1.430  -2.857  1.00 94.02           O  
-ATOM   1907  CG  ARG A 242      22.641   4.850  -5.752  1.00 94.02           C  
-ATOM   1908  CD  ARG A 242      22.159   4.699  -7.188  1.00 94.02           C  
-ATOM   1909  NE  ARG A 242      21.444   5.887  -7.644  1.00 94.02           N  
-ATOM   1910  NH1 ARG A 242      20.579   4.892  -9.541  1.00 94.02           N  
-ATOM   1911  NH2 ARG A 242      20.102   7.085  -9.072  1.00 94.02           N  
-ATOM   1912  CZ  ARG A 242      20.710   5.952  -8.751  1.00 94.02           C  
-ATOM   1913  N   MET A 243      25.291   1.737  -3.428  1.00 96.01           N  
-ATOM   1914  CA  MET A 243      25.731   0.421  -2.972  1.00 96.01           C  
-ATOM   1915  C   MET A 243      25.627   0.308  -1.455  1.00 96.01           C  
-ATOM   1916  CB  MET A 243      27.169   0.150  -3.419  1.00 96.01           C  
-ATOM   1917  O   MET A 243      25.182  -0.716  -0.934  1.00 96.01           O  
-ATOM   1918  CG  MET A 243      27.697  -1.210  -2.992  1.00 96.01           C  
-ATOM   1919  SD  MET A 243      26.735  -2.596  -3.712  1.00 96.01           S  
-ATOM   1920  CE  MET A 243      27.297  -2.515  -5.435  1.00 96.01           C  
-ATOM   1921  N   HIS A 244      25.986   1.285  -0.710  1.00 95.53           N  
-ATOM   1922  CA  HIS A 244      25.870   1.291   0.744  1.00 95.53           C  
-ATOM   1923  C   HIS A 244      24.410   1.243   1.181  1.00 95.53           C  
-ATOM   1924  CB  HIS A 244      26.554   2.527   1.332  1.00 95.53           C  
-ATOM   1925  O   HIS A 244      24.071   0.570   2.157  1.00 95.53           O  
-ATOM   1926  CG  HIS A 244      28.047   2.458   1.300  1.00 95.53           C  
-ATOM   1927  CD2 HIS A 244      28.896   1.438   1.569  1.00 95.53           C  
-ATOM   1928  ND1 HIS A 244      28.835   3.537   0.962  1.00 95.53           N  
-ATOM   1929  CE1 HIS A 244      30.108   3.182   1.023  1.00 95.53           C  
-ATOM   1930  NE2 HIS A 244      30.172   1.913   1.389  1.00 95.53           N  
-ATOM   1931  N   GLU A 245      23.613   2.037   0.497  1.00 94.18           N  
-ATOM   1932  CA  GLU A 245      22.179   1.967   0.760  1.00 94.18           C  
-ATOM   1933  C   GLU A 245      21.656   0.544   0.587  1.00 94.18           C  
-ATOM   1934  CB  GLU A 245      21.416   2.923  -0.159  1.00 94.18           C  
-ATOM   1935  O   GLU A 245      20.876   0.059   1.410  1.00 94.18           O  
-ATOM   1936  CG  GLU A 245      19.905   2.878   0.024  1.00 94.18           C  
-ATOM   1937  CD  GLU A 245      19.444   3.460   1.351  1.00 94.18           C  
-ATOM   1938  OE1 GLU A 245      18.230   3.399   1.651  1.00 94.18           O  
-ATOM   1939  OE2 GLU A 245      20.303   3.982   2.096  1.00 94.18           O  
-ATOM   1940  N   SER A 246      21.988  -0.057  -0.483  1.00 96.43           N  
-ATOM   1941  CA  SER A 246      21.589  -1.433  -0.760  1.00 96.43           C  
-ATOM   1942  C   SER A 246      22.054  -2.376   0.345  1.00 96.43           C  
-ATOM   1943  CB  SER A 246      22.151  -1.895  -2.105  1.00 96.43           C  
-ATOM   1944  O   SER A 246      21.311  -3.268   0.760  1.00 96.43           O  
-ATOM   1945  OG  SER A 246      21.678  -3.190  -2.431  1.00 96.43           O  
-ATOM   1946  N   MET A 247      23.218  -2.184   0.860  1.00 96.81           N  
-ATOM   1947  CA  MET A 247      23.752  -2.993   1.952  1.00 96.81           C  
-ATOM   1948  C   MET A 247      22.927  -2.805   3.222  1.00 96.81           C  
-ATOM   1949  CB  MET A 247      25.215  -2.636   2.221  1.00 96.81           C  
-ATOM   1950  O   MET A 247      22.627  -3.774   3.921  1.00 96.81           O  
-ATOM   1951  CG  MET A 247      26.170  -3.106   1.136  1.00 96.81           C  
-ATOM   1952  SD  MET A 247      27.905  -2.606   1.461  1.00 96.81           S  
-ATOM   1953  CE  MET A 247      28.281  -3.664   2.886  1.00 96.81           C  
-ATOM   1954  N   LYS A 248      22.652  -1.530   3.553  1.00 94.93           N  
-ATOM   1955  CA  LYS A 248      21.815  -1.249   4.716  1.00 94.93           C  
-ATOM   1956  C   LYS A 248      20.463  -1.948   4.602  1.00 94.93           C  
-ATOM   1957  CB  LYS A 248      21.613   0.258   4.880  1.00 94.93           C  
-ATOM   1958  O   LYS A 248      19.975  -2.528   5.575  1.00 94.93           O  
-ATOM   1959  CG  LYS A 248      22.845   0.996   5.382  1.00 94.93           C  
-ATOM   1960  CD  LYS A 248      22.562   2.478   5.592  1.00 94.93           C  
-ATOM   1961  CE  LYS A 248      23.809   3.229   6.039  1.00 94.93           C  
-ATOM   1962  NZ  LYS A 248      23.561   4.698   6.151  1.00 94.93           N  
-ATOM   1963  N   LEU A 249      19.971  -1.916   3.418  1.00 94.12           N  
-ATOM   1964  CA  LEU A 249      18.683  -2.552   3.166  1.00 94.12           C  
-ATOM   1965  C   LEU A 249      18.782  -4.065   3.333  1.00 94.12           C  
-ATOM   1966  CB  LEU A 249      18.183  -2.214   1.759  1.00 94.12           C  
-ATOM   1967  O   LEU A 249      17.935  -4.679   3.985  1.00 94.12           O  
-ATOM   1968  CG  LEU A 249      17.626  -0.804   1.559  1.00 94.12           C  
-ATOM   1969  CD1 LEU A 249      17.496  -0.491   0.072  1.00 94.12           C  
-ATOM   1970  CD2 LEU A 249      16.280  -0.655   2.261  1.00 94.12           C  
-ATOM   1971  N   PHE A 250      19.721  -4.599   2.721  1.00 96.35           N  
-ATOM   1972  CA  PHE A 250      19.932  -6.039   2.815  1.00 96.35           C  
-ATOM   1973  C   PHE A 250      20.121  -6.464   4.266  1.00 96.35           C  
-ATOM   1974  CB  PHE A 250      21.146  -6.461   1.981  1.00 96.35           C  
-ATOM   1975  O   PHE A 250      19.584  -7.488   4.693  1.00 96.35           O  
-ATOM   1976  CG  PHE A 250      21.393  -7.946   1.977  1.00 96.35           C  
-ATOM   1977  CD1 PHE A 250      22.483  -8.486   2.648  1.00 96.35           C  
-ATOM   1978  CD2 PHE A 250      20.533  -8.802   1.301  1.00 96.35           C  
-ATOM   1979  CE1 PHE A 250      22.713  -9.859   2.645  1.00 96.35           C  
-ATOM   1980  CE2 PHE A 250      20.757 -10.175   1.293  1.00 96.35           C  
-ATOM   1981  CZ  PHE A 250      21.848 -10.702   1.965  1.00 96.35           C  
-ATOM   1982  N   ASP A 251      20.924  -5.758   5.033  1.00 95.89           N  
-ATOM   1983  CA  ASP A 251      21.143  -6.035   6.450  1.00 95.89           C  
-ATOM   1984  C   ASP A 251      19.819  -6.089   7.209  1.00 95.89           C  
-ATOM   1985  CB  ASP A 251      22.060  -4.978   7.068  1.00 95.89           C  
-ATOM   1986  O   ASP A 251      19.600  -6.990   8.021  1.00 95.89           O  
-ATOM   1987  CG  ASP A 251      22.426  -5.280   8.510  1.00 95.89           C  
-ATOM   1988  OD1 ASP A 251      22.787  -6.436   8.818  1.00 95.89           O  
-ATOM   1989  OD2 ASP A 251      22.349  -4.354   9.347  1.00 95.89           O  
-ATOM   1990  N   SER A 252      18.890  -5.226   6.959  1.00 92.76           N  
-ATOM   1991  CA  SER A 252      17.590  -5.147   7.617  1.00 92.76           C  
-ATOM   1992  C   SER A 252      16.697  -6.317   7.220  1.00 92.76           C  
-ATOM   1993  CB  SER A 252      16.897  -3.827   7.277  1.00 92.76           C  
-ATOM   1994  O   SER A 252      15.921  -6.818   8.037  1.00 92.76           O  
-ATOM   1995  OG  SER A 252      16.452  -3.825   5.932  1.00 92.76           O  
-ATOM   1996  N   ILE A 253      16.829  -6.806   6.012  1.00 92.21           N  
-ATOM   1997  CA  ILE A 253      15.959  -7.854   5.489  1.00 92.21           C  
-ATOM   1998  C   ILE A 253      16.473  -9.221   5.935  1.00 92.21           C  
-ATOM   1999  CB  ILE A 253      15.866  -7.794   3.948  1.00 92.21           C  
-ATOM   2000  O   ILE A 253      15.710 -10.037   6.459  1.00 92.21           O  
-ATOM   2001  CG1 ILE A 253      15.192  -6.490   3.504  1.00 92.21           C  
-ATOM   2002  CG2 ILE A 253      15.113  -9.012   3.404  1.00 92.21           C  
-ATOM   2003  CD1 ILE A 253      13.755  -6.341   3.985  1.00 92.21           C  
-ATOM   2004  N   CYS A 254      17.711  -9.404   5.689  1.00 92.49           N  
-ATOM   2005  CA  CYS A 254      18.283 -10.722   5.941  1.00 92.49           C  
-ATOM   2006  C   CYS A 254      18.246 -11.057   7.428  1.00 92.49           C  
-ATOM   2007  CB  CYS A 254      19.722 -10.789   5.430  1.00 92.49           C  
-ATOM   2008  O   CYS A 254      18.231 -12.230   7.804  1.00 92.49           O  
-ATOM   2009  SG  CYS A 254      20.876  -9.763   6.365  1.00 92.49           S  
-ATOM   2010  N   ASN A 255      18.199 -10.072   8.256  1.00 91.60           N  
-ATOM   2011  CA  ASN A 255      18.226 -10.292   9.698  1.00 91.60           C  
-ATOM   2012  C   ASN A 255      16.867 -10.009  10.334  1.00 91.60           C  
-ATOM   2013  CB  ASN A 255      19.308  -9.431  10.353  1.00 91.60           C  
-ATOM   2014  O   ASN A 255      16.740 -10.005  11.560  1.00 91.60           O  
-ATOM   2015  CG  ASN A 255      20.705  -9.801   9.895  1.00 91.60           C  
-ATOM   2016  ND2 ASN A 255      21.447  -8.817   9.400  1.00 91.60           N  
-ATOM   2017  OD1 ASN A 255      21.114 -10.962   9.983  1.00 91.60           O  
-ATOM   2018  N   ASN A 256      15.850  -9.834   9.547  1.00 88.80           N  
-ATOM   2019  CA  ASN A 256      14.493  -9.562  10.009  1.00 88.80           C  
-ATOM   2020  C   ASN A 256      13.836 -10.813  10.587  1.00 88.80           C  
-ATOM   2021  CB  ASN A 256      13.642  -8.993   8.871  1.00 88.80           C  
-ATOM   2022  O   ASN A 256      13.942 -11.897  10.011  1.00 88.80           O  
-ATOM   2023  CG  ASN A 256      12.321  -8.428   9.356  1.00 88.80           C  
-ATOM   2024  ND2 ASN A 256      12.069  -7.161   9.047  1.00 88.80           N  
-ATOM   2025  OD1 ASN A 256      11.534  -9.124  10.003  1.00 88.80           O  
-ATOM   2026  N   LYS A 257      13.023 -10.656  11.700  1.00 86.83           N  
-ATOM   2027  CA  LYS A 257      12.421 -11.771  12.426  1.00 86.83           C  
-ATOM   2028  C   LYS A 257      11.367 -12.476  11.577  1.00 86.83           C  
-ATOM   2029  CB  LYS A 257      11.799 -11.285  13.736  1.00 86.83           C  
-ATOM   2030  O   LYS A 257      11.101 -13.664  11.769  1.00 86.83           O  
-ATOM   2031  CG  LYS A 257      12.814 -10.803  14.762  1.00 86.83           C  
-ATOM   2032  CD  LYS A 257      12.137 -10.348  16.048  1.00 86.83           C  
-ATOM   2033  CE  LYS A 257      13.149  -9.839  17.065  1.00 86.83           C  
-ATOM   2034  NZ  LYS A 257      12.497  -9.459  18.354  1.00 86.83           N  
-ATOM   2035  N   TRP A 258      10.741 -11.647  10.601  1.00 84.00           N  
-ATOM   2036  CA  TRP A 258       9.702 -12.212   9.747  1.00 84.00           C  
-ATOM   2037  C   TRP A 258      10.288 -13.231   8.776  1.00 84.00           C  
-ATOM   2038  CB  TRP A 258       8.983 -11.104   8.971  1.00 84.00           C  
-ATOM   2039  O   TRP A 258       9.569 -14.087   8.256  1.00 84.00           O  
-ATOM   2040  CG  TRP A 258       7.953 -10.368   9.774  1.00 84.00           C  
-ATOM   2041  CD1 TRP A 258       6.781 -10.869  10.268  1.00 84.00           C  
-ATOM   2042  CD2 TRP A 258       8.002  -8.994  10.172  1.00 84.00           C  
-ATOM   2043  CE2 TRP A 258       6.824  -8.730  10.906  1.00 84.00           C  
-ATOM   2044  CE3 TRP A 258       8.928  -7.960   9.979  1.00 84.00           C  
-ATOM   2045  NE1 TRP A 258       6.097  -9.889  10.950  1.00 84.00           N  
-ATOM   2046  CH2 TRP A 258       7.472  -6.479  11.245  1.00 84.00           C  
-ATOM   2047  CZ2 TRP A 258       6.549  -7.472  11.449  1.00 84.00           C  
-ATOM   2048  CZ3 TRP A 258       8.652  -6.710  10.520  1.00 84.00           C  
-ATOM   2049  N   PHE A 259      11.696 -13.263   8.551  1.00 87.45           N  
-ATOM   2050  CA  PHE A 259      12.301 -14.073   7.501  1.00 87.45           C  
-ATOM   2051  C   PHE A 259      13.252 -15.106   8.094  1.00 87.45           C  
-ATOM   2052  CB  PHE A 259      13.048 -13.187   6.499  1.00 87.45           C  
-ATOM   2053  O   PHE A 259      14.212 -15.522   7.442  1.00 87.45           O  
-ATOM   2054  CG  PHE A 259      12.170 -12.178   5.809  1.00 87.45           C  
-ATOM   2055  CD1 PHE A 259      10.990 -12.572   5.190  1.00 87.45           C  
-ATOM   2056  CD2 PHE A 259      12.526 -10.836   5.778  1.00 87.45           C  
-ATOM   2057  CE1 PHE A 259      10.175 -11.640   4.550  1.00 87.45           C  
-ATOM   2058  CE2 PHE A 259      11.717  -9.900   5.140  1.00 87.45           C  
-ATOM   2059  CZ  PHE A 259      10.543 -10.304   4.526  1.00 87.45           C  
-ATOM   2060  N   THR A 260      12.958 -15.414   9.344  1.00 84.17           N  
-ATOM   2061  CA  THR A 260      13.847 -16.344  10.032  1.00 84.17           C  
-ATOM   2062  C   THR A 260      13.907 -17.680   9.296  1.00 84.17           C  
-ATOM   2063  CB  THR A 260      13.397 -16.576  11.486  1.00 84.17           C  
-ATOM   2064  O   THR A 260      14.984 -18.255   9.129  1.00 84.17           O  
-ATOM   2065  CG2 THR A 260      14.371 -17.488  12.225  1.00 84.17           C  
-ATOM   2066  OG1 THR A 260      13.329 -15.317  12.166  1.00 84.17           O  
-ATOM   2067  N   ASP A 261      12.764 -18.122   8.777  1.00 81.78           N  
-ATOM   2068  CA  ASP A 261      12.680 -19.432   8.140  1.00 81.78           C  
-ATOM   2069  C   ASP A 261      12.526 -19.299   6.627  1.00 81.78           C  
-ATOM   2070  CB  ASP A 261      11.514 -20.237   8.719  1.00 81.78           C  
-ATOM   2071  O   ASP A 261      12.221 -20.276   5.940  1.00 81.78           O  
-ATOM   2072  CG  ASP A 261      11.695 -20.568  10.190  1.00 81.78           C  
-ATOM   2073  OD1 ASP A 261      12.833 -20.867  10.613  1.00 81.78           O  
-ATOM   2074  OD2 ASP A 261      10.690 -20.532  10.932  1.00 81.78           O  
-ATOM   2075  N   THR A 262      12.765 -18.044   6.128  1.00 87.01           N  
-ATOM   2076  CA  THR A 262      12.592 -17.782   4.704  1.00 87.01           C  
-ATOM   2077  C   THR A 262      13.922 -17.908   3.966  1.00 87.01           C  
-ATOM   2078  CB  THR A 262      11.998 -16.382   4.461  1.00 87.01           C  
-ATOM   2079  O   THR A 262      14.948 -17.411   4.435  1.00 87.01           O  
-ATOM   2080  CG2 THR A 262      11.727 -16.150   2.978  1.00 87.01           C  
-ATOM   2081  OG1 THR A 262      10.768 -16.259   5.186  1.00 87.01           O  
-ATOM   2082  N   SER A 263      13.971 -18.620   2.798  1.00 88.56           N  
-ATOM   2083  CA  SER A 263      15.167 -18.718   1.967  1.00 88.56           C  
-ATOM   2084  C   SER A 263      15.484 -17.385   1.297  1.00 88.56           C  
-ATOM   2085  CB  SER A 263      14.993 -19.803   0.904  1.00 88.56           C  
-ATOM   2086  O   SER A 263      14.588 -16.716   0.778  1.00 88.56           O  
-ATOM   2087  OG  SER A 263      14.812 -21.073   1.506  1.00 88.56           O  
-ATOM   2088  N   ILE A 264      16.784 -17.015   1.361  1.00 92.24           N  
-ATOM   2089  CA  ILE A 264      17.187 -15.742   0.774  1.00 92.24           C  
-ATOM   2090  C   ILE A 264      18.171 -15.989  -0.368  1.00 92.24           C  
-ATOM   2091  CB  ILE A 264      17.817 -14.807   1.830  1.00 92.24           C  
-ATOM   2092  O   ILE A 264      19.184 -16.669  -0.188  1.00 92.24           O  
-ATOM   2093  CG1 ILE A 264      16.796 -14.473   2.924  1.00 92.24           C  
-ATOM   2094  CG2 ILE A 264      18.352 -13.532   1.172  1.00 92.24           C  
-ATOM   2095  CD1 ILE A 264      17.337 -13.563   4.019  1.00 92.24           C  
-ATOM   2096  N   ILE A 265      17.815 -15.499  -1.532  1.00 94.46           N  
-ATOM   2097  CA  ILE A 265      18.652 -15.556  -2.726  1.00 94.46           C  
-ATOM   2098  C   ILE A 265      19.169 -14.159  -3.061  1.00 94.46           C  
-ATOM   2099  CB  ILE A 265      17.882 -16.146  -3.929  1.00 94.46           C  
-ATOM   2100  O   ILE A 265      18.390 -13.208  -3.154  1.00 94.46           O  
-ATOM   2101  CG1 ILE A 265      17.389 -17.561  -3.606  1.00 94.46           C  
-ATOM   2102  CG2 ILE A 265      18.759 -16.144  -5.184  1.00 94.46           C  
-ATOM   2103  CD1 ILE A 265      16.120 -17.959  -4.346  1.00 94.46           C  
-ATOM   2104  N   LEU A 266      20.461 -14.030  -3.184  1.00 95.90           N  
-ATOM   2105  CA  LEU A 266      21.080 -12.744  -3.486  1.00 95.90           C  
-ATOM   2106  C   LEU A 266      21.486 -12.668  -4.954  1.00 95.90           C  
-ATOM   2107  CB  LEU A 266      22.304 -12.516  -2.594  1.00 95.90           C  
-ATOM   2108  O   LEU A 266      22.343 -13.430  -5.406  1.00 95.90           O  
-ATOM   2109  CG  LEU A 266      23.059 -11.203  -2.803  1.00 95.90           C  
-ATOM   2110  CD1 LEU A 266      22.159 -10.016  -2.476  1.00 95.90           C  
-ATOM   2111  CD2 LEU A 266      24.324 -11.172  -1.951  1.00 95.90           C  
-ATOM   2112  N   PHE A 267      20.802 -11.741  -5.708  1.00 97.04           N  
-ATOM   2113  CA  PHE A 267      21.163 -11.473  -7.096  1.00 97.04           C  
-ATOM   2114  C   PHE A 267      22.087 -10.265  -7.191  1.00 97.04           C  
-ATOM   2115  CB  PHE A 267      19.909 -11.243  -7.944  1.00 97.04           C  
-ATOM   2116  O   PHE A 267      21.711  -9.157  -6.803  1.00 97.04           O  
-ATOM   2117  CG  PHE A 267      19.196 -12.511  -8.331  1.00 97.04           C  
-ATOM   2118  CD1 PHE A 267      19.648 -13.745  -7.878  1.00 97.04           C  
-ATOM   2119  CD2 PHE A 267      18.074 -12.470  -9.147  1.00 97.04           C  
-ATOM   2120  CE1 PHE A 267      18.991 -14.920  -8.234  1.00 97.04           C  
-ATOM   2121  CE2 PHE A 267      17.412 -13.640  -9.508  1.00 97.04           C  
-ATOM   2122  CZ  PHE A 267      17.872 -14.864  -9.050  1.00 97.04           C  
-ATOM   2123  N   LEU A 268      23.310 -10.526  -7.549  1.00 97.42           N  
-ATOM   2124  CA  LEU A 268      24.213  -9.441  -7.917  1.00 97.42           C  
-ATOM   2125  C   LEU A 268      24.116  -9.134  -9.408  1.00 97.42           C  
-ATOM   2126  CB  LEU A 268      25.656  -9.797  -7.550  1.00 97.42           C  
-ATOM   2127  O   LEU A 268      24.770  -9.788 -10.224  1.00 97.42           O  
-ATOM   2128  CG  LEU A 268      25.927 -10.096  -6.075  1.00 97.42           C  
-ATOM   2129  CD1 LEU A 268      27.369 -10.554  -5.883  1.00 97.42           C  
-ATOM   2130  CD2 LEU A 268      25.630  -8.871  -5.217  1.00 97.42           C  
-ATOM   2131  N   ASN A 269      23.180  -8.119  -9.716  1.00 97.06           N  
-ATOM   2132  CA  ASN A 269      22.679  -7.879 -11.065  1.00 97.06           C  
-ATOM   2133  C   ASN A 269      23.505  -6.820 -11.789  1.00 97.06           C  
-ATOM   2134  CB  ASN A 269      21.206  -7.468 -11.026  1.00 97.06           C  
-ATOM   2135  O   ASN A 269      24.357  -6.168 -11.182  1.00 97.06           O  
-ATOM   2136  CG  ASN A 269      20.536  -7.566 -12.382  1.00 97.06           C  
-ATOM   2137  ND2 ASN A 269      19.652  -6.620 -12.677  1.00 97.06           N  
-ATOM   2138  OD1 ASN A 269      20.810  -8.485 -13.159  1.00 97.06           O  
-ATOM   2139  N   LYS A 270      23.370  -6.722 -13.053  1.00 95.88           N  
-ATOM   2140  CA  LYS A 270      24.013  -5.769 -13.953  1.00 95.88           C  
-ATOM   2141  C   LYS A 270      25.516  -6.022 -14.039  1.00 95.88           C  
-ATOM   2142  CB  LYS A 270      23.749  -4.334 -13.494  1.00 95.88           C  
-ATOM   2143  O   LYS A 270      26.312  -5.082 -14.005  1.00 95.88           O  
-ATOM   2144  CG  LYS A 270      22.279  -3.942 -13.503  1.00 95.88           C  
-ATOM   2145  CD  LYS A 270      22.093  -2.465 -13.181  1.00 95.88           C  
-ATOM   2146  CE  LYS A 270      20.619  -2.091 -13.099  1.00 95.88           C  
-ATOM   2147  NZ  LYS A 270      20.431  -0.633 -12.837  1.00 95.88           N  
-ATOM   2148  N   LYS A 271      25.836  -7.261 -14.066  1.00 95.71           N  
-ATOM   2149  CA  LYS A 271      27.244  -7.645 -14.126  1.00 95.71           C  
-ATOM   2150  C   LYS A 271      27.889  -7.165 -15.422  1.00 95.71           C  
-ATOM   2151  CB  LYS A 271      27.393  -9.161 -13.996  1.00 95.71           C  
-ATOM   2152  O   LYS A 271      29.090  -6.889 -15.459  1.00 95.71           O  
-ATOM   2153  CG  LYS A 271      26.875  -9.939 -15.196  1.00 95.71           C  
-ATOM   2154  CD  LYS A 271      27.127 -11.434 -15.045  1.00 95.71           C  
-ATOM   2155  CE  LYS A 271      26.656 -12.208 -16.268  1.00 95.71           C  
-ATOM   2156  NZ  LYS A 271      26.932 -13.670 -16.139  1.00 95.71           N  
-ATOM   2157  N   ASP A 272      27.135  -7.064 -16.510  1.00 94.57           N  
-ATOM   2158  CA  ASP A 272      27.619  -6.580 -17.799  1.00 94.57           C  
-ATOM   2159  C   ASP A 272      28.089  -5.131 -17.701  1.00 94.57           C  
-ATOM   2160  CB  ASP A 272      26.528  -6.708 -18.864  1.00 94.57           C  
-ATOM   2161  O   ASP A 272      29.158  -4.784 -18.208  1.00 94.57           O  
-ATOM   2162  CG  ASP A 272      25.224  -6.043 -18.460  1.00 94.57           C  
-ATOM   2163  OD1 ASP A 272      24.841  -6.122 -17.273  1.00 94.57           O  
-ATOM   2164  OD2 ASP A 272      24.572  -5.436 -19.337  1.00 94.57           O  
-ATOM   2165  N   LEU A 273      27.251  -4.334 -17.001  1.00 94.10           N  
-ATOM   2166  CA  LEU A 273      27.582  -2.922 -16.840  1.00 94.10           C  
-ATOM   2167  C   LEU A 273      28.746  -2.743 -15.870  1.00 94.10           C  
-ATOM   2168  CB  LEU A 273      26.364  -2.140 -16.342  1.00 94.10           C  
-ATOM   2169  O   LEU A 273      29.607  -1.886 -16.079  1.00 94.10           O  
-ATOM   2170  CG  LEU A 273      25.161  -2.086 -17.286  1.00 94.10           C  
-ATOM   2171  CD1 LEU A 273      24.034  -1.269 -16.662  1.00 94.10           C  
-ATOM   2172  CD2 LEU A 273      25.566  -1.505 -18.636  1.00 94.10           C  
-ATOM   2173  N   PHE A 274      28.743  -3.507 -14.864  1.00 96.09           N  
-ATOM   2174  CA  PHE A 274      29.817  -3.469 -13.879  1.00 96.09           C  
-ATOM   2175  C   PHE A 274      31.156  -3.801 -14.525  1.00 96.09           C  
-ATOM   2176  CB  PHE A 274      29.532  -4.444 -12.732  1.00 96.09           C  
-ATOM   2177  O   PHE A 274      32.162  -3.141 -14.257  1.00 96.09           O  
-ATOM   2178  CG  PHE A 274      30.596  -4.459 -11.668  1.00 96.09           C  
-ATOM   2179  CD1 PHE A 274      31.423  -5.563 -11.508  1.00 96.09           C  
-ATOM   2180  CD2 PHE A 274      30.769  -3.366 -10.828  1.00 96.09           C  
-ATOM   2181  CE1 PHE A 274      32.410  -5.579 -10.525  1.00 96.09           C  
-ATOM   2182  CE2 PHE A 274      31.753  -3.375  -9.843  1.00 96.09           C  
-ATOM   2183  CZ  PHE A 274      32.571  -4.483  -9.692  1.00 96.09           C  
-ATOM   2184  N   GLU A 275      31.167  -4.845 -15.363  1.00 95.98           N  
-ATOM   2185  CA  GLU A 275      32.378  -5.290 -16.046  1.00 95.98           C  
-ATOM   2186  C   GLU A 275      33.001  -4.158 -16.858  1.00 95.98           C  
-ATOM   2187  CB  GLU A 275      32.075  -6.484 -16.955  1.00 95.98           C  
-ATOM   2188  O   GLU A 275      34.224  -4.003 -16.879  1.00 95.98           O  
-ATOM   2189  CG  GLU A 275      33.316  -7.142 -17.541  1.00 95.98           C  
-ATOM   2190  CD  GLU A 275      33.022  -8.457 -18.246  1.00 95.98           C  
-ATOM   2191  OE1 GLU A 275      33.977  -9.202 -18.563  1.00 95.98           O  
-ATOM   2192  OE2 GLU A 275      31.827  -8.744 -18.483  1.00 95.98           O  
-ATOM   2193  N   GLU A 276      32.203  -3.332 -17.453  1.00 93.18           N  
-ATOM   2194  CA  GLU A 276      32.683  -2.220 -18.268  1.00 93.18           C  
-ATOM   2195  C   GLU A 276      33.107  -1.041 -17.397  1.00 93.18           C  
-ATOM   2196  CB  GLU A 276      31.607  -1.779 -19.264  1.00 93.18           C  
-ATOM   2197  O   GLU A 276      34.142  -0.420 -17.644  1.00 93.18           O  
-ATOM   2198  CG  GLU A 276      31.322  -2.802 -20.354  1.00 93.18           C  
-ATOM   2199  CD  GLU A 276      32.552  -3.174 -21.165  1.00 93.18           C  
-ATOM   2200  OE1 GLU A 276      32.797  -4.383 -21.377  1.00 93.18           O  
-ATOM   2201  OE2 GLU A 276      33.279  -2.249 -21.591  1.00 93.18           O  
-ATOM   2202  N   LYS A 277      32.425  -0.811 -16.373  1.00 93.45           N  
-ATOM   2203  CA  LYS A 277      32.601   0.361 -15.520  1.00 93.45           C  
-ATOM   2204  C   LYS A 277      33.848   0.226 -14.651  1.00 93.45           C  
-ATOM   2205  CB  LYS A 277      31.368   0.573 -14.639  1.00 93.45           C  
-ATOM   2206  O   LYS A 277      34.552   1.209 -14.410  1.00 93.45           O  
-ATOM   2207  CG  LYS A 277      31.298   1.950 -13.994  1.00 93.45           C  
-ATOM   2208  CD  LYS A 277      29.939   2.198 -13.352  1.00 93.45           C  
-ATOM   2209  CE  LYS A 277      29.842   3.602 -12.772  1.00 93.45           C  
-ATOM   2210  NZ  LYS A 277      28.479   3.883 -12.228  1.00 93.45           N  
-ATOM   2211  N   ILE A 278      34.103  -0.937 -14.191  1.00 94.44           N  
-ATOM   2212  CA  ILE A 278      35.209  -1.177 -13.271  1.00 94.44           C  
-ATOM   2213  C   ILE A 278      36.536  -0.917 -13.980  1.00 94.44           C  
-ATOM   2214  CB  ILE A 278      35.174  -2.615 -12.708  1.00 94.44           C  
-ATOM   2215  O   ILE A 278      37.553  -0.658 -13.332  1.00 94.44           O  
-ATOM   2216  CG1 ILE A 278      36.052  -2.720 -11.455  1.00 94.44           C  
-ATOM   2217  CG2 ILE A 278      35.618  -3.622 -13.773  1.00 94.44           C  
-ATOM   2218  CD1 ILE A 278      35.559  -1.882 -10.283  1.00 94.44           C  
-ATOM   2219  N   LYS A 279      36.553  -0.914 -15.335  1.00 93.37           N  
-ATOM   2220  CA  LYS A 279      37.745  -0.615 -16.123  1.00 93.37           C  
-ATOM   2221  C   LYS A 279      38.105   0.865 -16.037  1.00 93.37           C  
-ATOM   2222  CB  LYS A 279      37.539  -1.020 -17.583  1.00 93.37           C  
-ATOM   2223  O   LYS A 279      39.277   1.232 -16.139  1.00 93.37           O  
-ATOM   2224  CG  LYS A 279      37.382  -2.519 -17.794  1.00 93.37           C  
-ATOM   2225  CD  LYS A 279      37.130  -2.854 -19.259  1.00 93.37           C  
-ATOM   2226  CE  LYS A 279      36.905  -4.346 -19.461  1.00 93.37           C  
-ATOM   2227  NZ  LYS A 279      36.574  -4.669 -20.881  1.00 93.37           N  
-ATOM   2228  N   LYS A 280      37.165   1.700 -15.723  1.00 90.94           N  
-ATOM   2229  CA  LYS A 280      37.391   3.142 -15.768  1.00 90.94           C  
-ATOM   2230  C   LYS A 280      37.205   3.771 -14.390  1.00 90.94           C  
-ATOM   2231  CB  LYS A 280      36.450   3.802 -16.777  1.00 90.94           C  
-ATOM   2232  O   LYS A 280      37.723   4.857 -14.123  1.00 90.94           O  
-ATOM   2233  CG  LYS A 280      36.610   3.288 -18.200  1.00 90.94           C  
-ATOM   2234  CD  LYS A 280      35.566   3.889 -19.133  1.00 90.94           C  
-ATOM   2235  CE  LYS A 280      35.646   3.284 -20.528  1.00 90.94           C  
-ATOM   2236  NZ  LYS A 280      34.602   3.846 -21.436  1.00 90.94           N  
-ATOM   2237  N   SER A 281      36.432   3.175 -13.453  1.00 92.57           N  
-ATOM   2238  CA  SER A 281      36.130   3.684 -12.119  1.00 92.57           C  
-ATOM   2239  C   SER A 281      36.502   2.670 -11.043  1.00 92.57           C  
-ATOM   2240  CB  SER A 281      34.648   4.042 -12.004  1.00 92.57           C  
-ATOM   2241  O   SER A 281      35.914   1.589 -10.972  1.00 92.57           O  
-ATOM   2242  OG  SER A 281      34.371   4.640 -10.750  1.00 92.57           O  
-ATOM   2243  N   PRO A 282      37.523   3.079 -10.213  1.00 94.31           N  
-ATOM   2244  CA  PRO A 282      38.007   2.148  -9.192  1.00 94.31           C  
-ATOM   2245  C   PRO A 282      36.966   1.862  -8.112  1.00 94.31           C  
-ATOM   2246  CB  PRO A 282      39.221   2.871  -8.603  1.00 94.31           C  
-ATOM   2247  O   PRO A 282      36.160   2.735  -7.780  1.00 94.31           O  
-ATOM   2248  CG  PRO A 282      38.975   4.319  -8.880  1.00 94.31           C  
-ATOM   2249  CD  PRO A 282      38.183   4.433 -10.151  1.00 94.31           C  
-ATOM   2250  N   LEU A 283      37.038   0.657  -7.558  1.00 95.68           N  
-ATOM   2251  CA  LEU A 283      36.119   0.229  -6.509  1.00 95.68           C  
-ATOM   2252  C   LEU A 283      36.351   1.019  -5.226  1.00 95.68           C  
-ATOM   2253  CB  LEU A 283      36.278  -1.269  -6.235  1.00 95.68           C  
-ATOM   2254  O   LEU A 283      35.480   1.067  -4.355  1.00 95.68           O  
-ATOM   2255  CG  LEU A 283      35.246  -1.900  -5.299  1.00 95.68           C  
-ATOM   2256  CD1 LEU A 283      33.841  -1.730  -5.866  1.00 95.68           C  
-ATOM   2257  CD2 LEU A 283      35.562  -3.375  -5.071  1.00 95.68           C  
-ATOM   2258  N   THR A 284      37.489   1.575  -5.054  1.00 95.39           N  
-ATOM   2259  CA  THR A 284      37.892   2.317  -3.864  1.00 95.39           C  
-ATOM   2260  C   THR A 284      36.999   3.538  -3.661  1.00 95.39           C  
-ATOM   2261  CB  THR A 284      39.363   2.762  -3.955  1.00 95.39           C  
-ATOM   2262  O   THR A 284      36.930   4.086  -2.559  1.00 95.39           O  
-ATOM   2263  CG2 THR A 284      40.306   1.566  -3.873  1.00 95.39           C  
-ATOM   2264  OG1 THR A 284      39.575   3.440  -5.200  1.00 95.39           O  
-ATOM   2265  N   ILE A 285      36.291   3.993  -4.664  1.00 92.73           N  
-ATOM   2266  CA  ILE A 285      35.335   5.089  -4.552  1.00 92.73           C  
-ATOM   2267  C   ILE A 285      34.245   4.722  -3.547  1.00 92.73           C  
-ATOM   2268  CB  ILE A 285      34.707   5.434  -5.921  1.00 92.73           C  
-ATOM   2269  O   ILE A 285      33.818   5.562  -2.751  1.00 92.73           O  
-ATOM   2270  CG1 ILE A 285      35.762   6.038  -6.855  1.00 92.73           C  
-ATOM   2271  CG2 ILE A 285      33.520   6.386  -5.746  1.00 92.73           C  
-ATOM   2272  CD1 ILE A 285      35.289   6.214  -8.291  1.00 92.73           C  
-ATOM   2273  N   CYS A 286      33.799   3.528  -3.658  1.00 93.96           N  
-ATOM   2274  CA  CYS A 286      32.770   3.040  -2.748  1.00 93.96           C  
-ATOM   2275  C   CYS A 286      33.393   2.397  -1.515  1.00 93.96           C  
-ATOM   2276  CB  CYS A 286      31.861   2.035  -3.455  1.00 93.96           C  
-ATOM   2277  O   CYS A 286      32.884   2.552  -0.403  1.00 93.96           O  
-ATOM   2278  SG  CYS A 286      30.489   1.451  -2.435  1.00 93.96           S  
-ATOM   2279  N   TYR A 287      34.530   1.742  -1.655  1.00 95.43           N  
-ATOM   2280  CA  TYR A 287      35.242   1.022  -0.605  1.00 95.43           C  
-ATOM   2281  C   TYR A 287      36.694   1.477  -0.520  1.00 95.43           C  
-ATOM   2282  CB  TYR A 287      35.182  -0.489  -0.853  1.00 95.43           C  
-ATOM   2283  O   TYR A 287      37.569   0.906  -1.175  1.00 95.43           O  
-ATOM   2284  CG  TYR A 287      33.777  -1.035  -0.935  1.00 95.43           C  
-ATOM   2285  CD1 TYR A 287      32.998  -1.184   0.211  1.00 95.43           C  
-ATOM   2286  CD2 TYR A 287      33.225  -1.403  -2.157  1.00 95.43           C  
-ATOM   2287  CE1 TYR A 287      31.704  -1.688   0.140  1.00 95.43           C  
-ATOM   2288  CE2 TYR A 287      31.932  -1.909  -2.240  1.00 95.43           C  
-ATOM   2289  OH  TYR A 287      29.900  -2.547  -1.163  1.00 95.43           O  
-ATOM   2290  CZ  TYR A 287      31.180  -2.047  -1.087  1.00 95.43           C  
-ATOM   2291  N   PRO A 288      36.972   2.499   0.283  1.00 94.28           N  
-ATOM   2292  CA  PRO A 288      38.328   3.049   0.360  1.00 94.28           C  
-ATOM   2293  C   PRO A 288      39.344   2.040   0.890  1.00 94.28           C  
-ATOM   2294  CB  PRO A 288      38.176   4.229   1.324  1.00 94.28           C  
-ATOM   2295  O   PRO A 288      40.527   2.112   0.547  1.00 94.28           O  
-ATOM   2296  CG  PRO A 288      36.743   4.638   1.203  1.00 94.28           C  
-ATOM   2297  CD  PRO A 288      35.917   3.412   0.940  1.00 94.28           C  
-ATOM   2298  N   GLU A 289      38.886   1.038   1.605  1.00 93.81           N  
-ATOM   2299  CA  GLU A 289      39.745   0.045   2.245  1.00 93.81           C  
-ATOM   2300  C   GLU A 289      40.043  -1.117   1.302  1.00 93.81           C  
-ATOM   2301  CB  GLU A 289      39.100  -0.474   3.533  1.00 93.81           C  
-ATOM   2302  O   GLU A 289      40.826  -2.009   1.637  1.00 93.81           O  
-ATOM   2303  CG  GLU A 289      37.780  -1.198   3.310  1.00 93.81           C  
-ATOM   2304  CD  GLU A 289      36.581  -0.263   3.276  1.00 93.81           C  
-ATOM   2305  OE1 GLU A 289      35.432  -0.744   3.405  1.00 93.81           O  
-ATOM   2306  OE2 GLU A 289      36.792   0.960   3.118  1.00 93.81           O  
-ATOM   2307  N   TYR A 290      39.472  -1.225   0.113  1.00 94.73           N  
-ATOM   2308  CA  TYR A 290      39.653  -2.288  -0.869  1.00 94.73           C  
-ATOM   2309  C   TYR A 290      41.082  -2.303  -1.399  1.00 94.73           C  
-ATOM   2310  CB  TYR A 290      38.667  -2.122  -2.029  1.00 94.73           C  
-ATOM   2311  O   TYR A 290      41.584  -1.283  -1.875  1.00 94.73           O  
-ATOM   2312  CG  TYR A 290      38.807  -3.177  -3.100  1.00 94.73           C  
-ATOM   2313  CD1 TYR A 290      39.283  -2.851  -4.368  1.00 94.73           C  
-ATOM   2314  CD2 TYR A 290      38.463  -4.500  -2.846  1.00 94.73           C  
-ATOM   2315  CE1 TYR A 290      39.412  -3.819  -5.358  1.00 94.73           C  
-ATOM   2316  CE2 TYR A 290      38.587  -5.477  -3.829  1.00 94.73           C  
-ATOM   2317  OH  TYR A 290      39.188  -6.090  -6.057  1.00 94.73           O  
-ATOM   2318  CZ  TYR A 290      39.062  -5.127  -5.080  1.00 94.73           C  
-ATOM   2319  N   ALA A 291      41.794  -3.443  -1.221  1.00 92.57           N  
-ATOM   2320  CA  ALA A 291      43.215  -3.546  -1.541  1.00 92.57           C  
-ATOM   2321  C   ALA A 291      43.440  -4.436  -2.760  1.00 92.57           C  
-ATOM   2322  CB  ALA A 291      43.993  -4.084  -0.342  1.00 92.57           C  
-ATOM   2323  O   ALA A 291      44.579  -4.645  -3.183  1.00 92.57           O  
-ATOM   2324  N   GLY A 292      42.343  -5.021  -3.367  1.00 91.68           N  
-ATOM   2325  CA  GLY A 292      42.445  -5.881  -4.536  1.00 91.68           C  
-ATOM   2326  C   GLY A 292      42.595  -5.109  -5.833  1.00 91.68           C  
-ATOM   2327  O   GLY A 292      42.524  -3.878  -5.841  1.00 91.68           O  
-ATOM   2328  N   SER A 293      42.851  -5.838  -6.968  1.00 92.67           N  
-ATOM   2329  CA  SER A 293      42.947  -5.231  -8.292  1.00 92.67           C  
-ATOM   2330  C   SER A 293      41.581  -4.773  -8.790  1.00 92.67           C  
-ATOM   2331  CB  SER A 293      43.559  -6.215  -9.290  1.00 92.67           C  
-ATOM   2332  O   SER A 293      40.549  -5.265  -8.329  1.00 92.67           O  
-ATOM   2333  OG  SER A 293      42.750  -7.372  -9.416  1.00 92.67           O  
-ATOM   2334  N   ASN A 294      41.538  -3.754  -9.587  1.00 91.91           N  
-ATOM   2335  CA  ASN A 294      40.301  -3.227 -10.153  1.00 91.91           C  
-ATOM   2336  C   ASN A 294      39.833  -4.057 -11.346  1.00 91.91           C  
-ATOM   2337  CB  ASN A 294      40.478  -1.763 -10.562  1.00 91.91           C  
-ATOM   2338  O   ASN A 294      39.537  -3.510 -12.410  1.00 91.91           O  
-ATOM   2339  CG  ASN A 294      39.165  -1.006 -10.605  1.00 91.91           C  
-ATOM   2340  ND2 ASN A 294      38.948  -0.257 -11.679  1.00 91.91           N  
-ATOM   2341  OD1 ASN A 294      38.353  -1.094  -9.680  1.00 91.91           O  
-ATOM   2342  N   THR A 295      39.865  -5.427 -11.143  1.00 94.73           N  
-ATOM   2343  CA  THR A 295      39.350  -6.378 -12.121  1.00 94.73           C  
-ATOM   2344  C   THR A 295      37.953  -6.853 -11.730  1.00 94.73           C  
-ATOM   2345  CB  THR A 295      40.286  -7.592 -12.267  1.00 94.73           C  
-ATOM   2346  O   THR A 295      37.587  -6.818 -10.553  1.00 94.73           O  
-ATOM   2347  CG2 THR A 295      41.699  -7.155 -12.639  1.00 94.73           C  
-ATOM   2348  OG1 THR A 295      40.329  -8.307 -11.026  1.00 94.73           O  
-ATOM   2349  N   TYR A 296      37.148  -7.209 -12.742  1.00 95.22           N  
-ATOM   2350  CA  TYR A 296      35.786  -7.683 -12.525  1.00 95.22           C  
-ATOM   2351  C   TYR A 296      35.755  -8.796 -11.484  1.00 95.22           C  
-ATOM   2352  CB  TYR A 296      35.173  -8.179 -13.838  1.00 95.22           C  
-ATOM   2353  O   TYR A 296      34.979  -8.740 -10.528  1.00 95.22           O  
-ATOM   2354  CG  TYR A 296      33.879  -8.935 -13.657  1.00 95.22           C  
-ATOM   2355  CD1 TYR A 296      33.856 -10.328 -13.672  1.00 95.22           C  
-ATOM   2356  CD2 TYR A 296      32.678  -8.258 -13.472  1.00 95.22           C  
-ATOM   2357  CE1 TYR A 296      32.665 -11.028 -13.507  1.00 95.22           C  
-ATOM   2358  CE2 TYR A 296      31.482  -8.949 -13.307  1.00 95.22           C  
-ATOM   2359  OH  TYR A 296      30.305 -11.020 -13.162  1.00 95.22           O  
-ATOM   2360  CZ  TYR A 296      31.486 -10.331 -13.325  1.00 95.22           C  
-ATOM   2361  N   GLU A 297      36.615  -9.767 -11.587  1.00 95.09           N  
-ATOM   2362  CA  GLU A 297      36.602 -10.970 -10.760  1.00 95.09           C  
-ATOM   2363  C   GLU A 297      36.869 -10.636  -9.295  1.00 95.09           C  
-ATOM   2364  CB  GLU A 297      37.635 -11.981 -11.266  1.00 95.09           C  
-ATOM   2365  O   GLU A 297      36.119 -11.054  -8.411  1.00 95.09           O  
-ATOM   2366  CG  GLU A 297      37.292 -12.586 -12.619  1.00 95.09           C  
-ATOM   2367  CD  GLU A 297      37.610 -11.664 -13.786  1.00 95.09           C  
-ATOM   2368  OE1 GLU A 297      37.103 -11.905 -14.905  1.00 95.09           O  
-ATOM   2369  OE2 GLU A 297      38.372 -10.694 -13.580  1.00 95.09           O  
-ATOM   2370  N   GLU A 298      37.897  -9.767  -8.977  1.00 95.82           N  
-ATOM   2371  CA  GLU A 298      38.281  -9.446  -7.606  1.00 95.82           C  
-ATOM   2372  C   GLU A 298      37.300  -8.462  -6.974  1.00 95.82           C  
-ATOM   2373  CB  GLU A 298      39.700  -8.873  -7.565  1.00 95.82           C  
-ATOM   2374  O   GLU A 298      36.918  -8.619  -5.812  1.00 95.82           O  
-ATOM   2375  CG  GLU A 298      40.789  -9.913  -7.786  1.00 95.82           C  
-ATOM   2376  CD  GLU A 298      42.180  -9.410  -7.430  1.00 95.82           C  
-ATOM   2377  OE1 GLU A 298      43.178 -10.018  -7.880  1.00 95.82           O  
-ATOM   2378  OE2 GLU A 298      42.271  -8.402  -6.696  1.00 95.82           O  
-ATOM   2379  N   ALA A 299      36.883  -7.494  -7.772  1.00 96.71           N  
-ATOM   2380  CA  ALA A 299      35.954  -6.482  -7.277  1.00 96.71           C  
-ATOM   2381  C   ALA A 299      34.579  -7.085  -7.005  1.00 96.71           C  
-ATOM   2382  CB  ALA A 299      35.839  -5.331  -8.273  1.00 96.71           C  
-ATOM   2383  O   ALA A 299      33.965  -6.807  -5.972  1.00 96.71           O  
-ATOM   2384  N   ALA A 300      34.053  -7.921  -7.975  1.00 96.53           N  
-ATOM   2385  CA  ALA A 300      32.761  -8.583  -7.817  1.00 96.53           C  
-ATOM   2386  C   ALA A 300      32.768  -9.518  -6.611  1.00 96.53           C  
-ATOM   2387  CB  ALA A 300      32.400  -9.356  -9.083  1.00 96.53           C  
-ATOM   2388  O   ALA A 300      31.807  -9.551  -5.837  1.00 96.53           O  
-ATOM   2389  N   ALA A 301      33.870 -10.255  -6.398  1.00 96.29           N  
-ATOM   2390  CA  ALA A 301      34.019 -11.159  -5.261  1.00 96.29           C  
-ATOM   2391  C   ALA A 301      34.012 -10.389  -3.943  1.00 96.29           C  
-ATOM   2392  CB  ALA A 301      35.304 -11.972  -5.392  1.00 96.29           C  
-ATOM   2393  O   ALA A 301      33.435 -10.845  -2.954  1.00 96.29           O  
-ATOM   2394  N   TYR A 302      34.658  -9.261  -3.984  1.00 96.99           N  
-ATOM   2395  CA  TYR A 302      34.700  -8.420  -2.793  1.00 96.99           C  
-ATOM   2396  C   TYR A 302      33.303  -7.948  -2.409  1.00 96.99           C  
-ATOM   2397  CB  TYR A 302      35.616  -7.214  -3.019  1.00 96.99           C  
-ATOM   2398  O   TYR A 302      32.920  -8.008  -1.239  1.00 96.99           O  
-ATOM   2399  CG  TYR A 302      35.770  -6.333  -1.802  1.00 96.99           C  
-ATOM   2400  CD1 TYR A 302      34.983  -5.196  -1.637  1.00 96.99           C  
-ATOM   2401  CD2 TYR A 302      36.704  -6.636  -0.817  1.00 96.99           C  
-ATOM   2402  CE1 TYR A 302      35.124  -4.381  -0.518  1.00 96.99           C  
-ATOM   2403  CE2 TYR A 302      36.854  -5.828   0.305  1.00 96.99           C  
-ATOM   2404  OH  TYR A 302      36.203  -3.901   1.555  1.00 96.99           O  
-ATOM   2405  CZ  TYR A 302      36.060  -4.704   0.446  1.00 96.99           C  
-ATOM   2406  N   ILE A 303      32.605  -7.411  -3.363  1.00 96.98           N  
-ATOM   2407  CA  ILE A 303      31.251  -6.926  -3.118  1.00 96.98           C  
-ATOM   2408  C   ILE A 303      30.374  -8.071  -2.618  1.00 96.98           C  
-ATOM   2409  CB  ILE A 303      30.638  -6.297  -4.390  1.00 96.98           C  
-ATOM   2410  O   ILE A 303      29.584  -7.895  -1.688  1.00 96.98           O  
-ATOM   2411  CG1 ILE A 303      31.378  -5.006  -4.758  1.00 96.98           C  
-ATOM   2412  CG2 ILE A 303      29.142  -6.034  -4.194  1.00 96.98           C  
-ATOM   2413  CD1 ILE A 303      30.919  -4.381  -6.068  1.00 96.98           C  
-ATOM   2414  N   GLN A 304      30.509  -9.244  -3.271  1.00 96.78           N  
-ATOM   2415  CA  GLN A 304      29.792 -10.432  -2.819  1.00 96.78           C  
-ATOM   2416  C   GLN A 304      30.073 -10.716  -1.346  1.00 96.78           C  
-ATOM   2417  CB  GLN A 304      30.171 -11.645  -3.670  1.00 96.78           C  
-ATOM   2418  O   GLN A 304      29.147 -10.950  -0.567  1.00 96.78           O  
-ATOM   2419  CG  GLN A 304      29.472 -12.931  -3.252  1.00 96.78           C  
-ATOM   2420  CD  GLN A 304      29.862 -14.117  -4.115  1.00 96.78           C  
-ATOM   2421  NE2 GLN A 304      29.572 -15.321  -3.633  1.00 96.78           N  
-ATOM   2422  OE1 GLN A 304      30.417 -13.953  -5.206  1.00 96.78           O  
-ATOM   2423  N   CYS A 305      31.258 -10.654  -0.945  1.00 95.56           N  
-ATOM   2424  CA  CYS A 305      31.661 -10.912   0.432  1.00 95.56           C  
-ATOM   2425  C   CYS A 305      31.061  -9.880   1.379  1.00 95.56           C  
-ATOM   2426  CB  CYS A 305      33.185 -10.905   0.555  1.00 95.56           C  
-ATOM   2427  O   CYS A 305      30.629 -10.220   2.482  1.00 95.56           O  
-ATOM   2428  SG  CYS A 305      33.975 -12.391  -0.099  1.00 95.56           S  
-ATOM   2429  N   GLN A 306      31.043  -8.677   0.974  1.00 96.36           N  
-ATOM   2430  CA  GLN A 306      30.477  -7.610   1.792  1.00 96.36           C  
-ATOM   2431  C   GLN A 306      29.012  -7.887   2.119  1.00 96.36           C  
-ATOM   2432  CB  GLN A 306      30.611  -6.261   1.085  1.00 96.36           C  
-ATOM   2433  O   GLN A 306      28.581  -7.711   3.260  1.00 96.36           O  
-ATOM   2434  CG  GLN A 306      32.046  -5.759   0.986  1.00 96.36           C  
-ATOM   2435  CD  GLN A 306      32.692  -5.557   2.343  1.00 96.36           C  
-ATOM   2436  NE2 GLN A 306      33.823  -6.218   2.566  1.00 96.36           N  
-ATOM   2437  OE1 GLN A 306      32.180  -4.812   3.185  1.00 96.36           O  
-ATOM   2438  N   PHE A 307      28.292  -8.333   1.229  1.00 96.47           N  
-ATOM   2439  CA  PHE A 307      26.877  -8.621   1.428  1.00 96.47           C  
-ATOM   2440  C   PHE A 307      26.693  -9.890   2.253  1.00 96.47           C  
-ATOM   2441  CB  PHE A 307      26.161  -8.763   0.080  1.00 96.47           C  
-ATOM   2442  O   PHE A 307      25.854  -9.933   3.155  1.00 96.47           O  
-ATOM   2443  CG  PHE A 307      25.675  -7.458  -0.490  1.00 96.47           C  
-ATOM   2444  CD1 PHE A 307      24.406  -6.981  -0.187  1.00 96.47           C  
-ATOM   2445  CD2 PHE A 307      26.489  -6.708  -1.328  1.00 96.47           C  
-ATOM   2446  CE1 PHE A 307      23.953  -5.773  -0.713  1.00 96.47           C  
-ATOM   2447  CE2 PHE A 307      26.044  -5.500  -1.858  1.00 96.47           C  
-ATOM   2448  CZ  PHE A 307      24.775  -5.035  -1.550  1.00 96.47           C  
-ATOM   2449  N   GLU A 308      27.429 -10.884   1.940  1.00 94.64           N  
-ATOM   2450  CA  GLU A 308      27.323 -12.142   2.673  1.00 94.64           C  
-ATOM   2451  C   GLU A 308      27.700 -11.958   4.140  1.00 94.64           C  
-ATOM   2452  CB  GLU A 308      28.207 -13.214   2.032  1.00 94.64           C  
-ATOM   2453  O   GLU A 308      27.137 -12.616   5.019  1.00 94.64           O  
-ATOM   2454  CG  GLU A 308      27.670 -13.745   0.711  1.00 94.64           C  
-ATOM   2455  CD  GLU A 308      28.581 -14.776   0.064  1.00 94.64           C  
-ATOM   2456  OE1 GLU A 308      28.152 -15.442  -0.906  1.00 94.64           O  
-ATOM   2457  OE2 GLU A 308      29.733 -14.921   0.532  1.00 94.64           O  
-ATOM   2458  N   ASP A 309      28.586 -11.029   4.467  1.00 94.68           N  
-ATOM   2459  CA  ASP A 309      29.055 -10.768   5.824  1.00 94.68           C  
-ATOM   2460  C   ASP A 309      27.977 -10.076   6.654  1.00 94.68           C  
-ATOM   2461  CB  ASP A 309      30.327  -9.917   5.798  1.00 94.68           C  
-ATOM   2462  O   ASP A 309      28.046 -10.065   7.885  1.00 94.68           O  
-ATOM   2463  CG  ASP A 309      31.568 -10.716   5.441  1.00 94.68           C  
-ATOM   2464  OD1 ASP A 309      31.511 -11.965   5.442  1.00 94.68           O  
-ATOM   2465  OD2 ASP A 309      32.614 -10.091   5.159  1.00 94.68           O  
-ATOM   2466  N   LEU A 310      26.966  -9.594   5.977  1.00 94.82           N  
-ATOM   2467  CA  LEU A 310      25.888  -8.909   6.682  1.00 94.82           C  
-ATOM   2468  C   LEU A 310      24.928  -9.912   7.314  1.00 94.82           C  
-ATOM   2469  CB  LEU A 310      25.125  -7.986   5.728  1.00 94.82           C  
-ATOM   2470  O   LEU A 310      24.124  -9.550   8.176  1.00 94.82           O  
-ATOM   2471  CG  LEU A 310      25.876  -6.747   5.238  1.00 94.82           C  
-ATOM   2472  CD1 LEU A 310      25.059  -6.017   4.177  1.00 94.82           C  
-ATOM   2473  CD2 LEU A 310      26.195  -5.819   6.406  1.00 94.82           C  
-ATOM   2474  N   ASN A 311      24.973 -11.139   6.899  1.00 93.47           N  
-ATOM   2475  CA  ASN A 311      24.165 -12.221   7.452  1.00 93.47           C  
-ATOM   2476  C   ASN A 311      24.662 -12.643   8.831  1.00 93.47           C  
-ATOM   2477  CB  ASN A 311      24.151 -13.420   6.502  1.00 93.47           C  
-ATOM   2478  O   ASN A 311      25.694 -13.307   8.948  1.00 93.47           O  
-ATOM   2479  CG  ASN A 311      23.282 -14.555   7.007  1.00 93.47           C  
-ATOM   2480  ND2 ASN A 311      23.482 -15.746   6.456  1.00 93.47           N  
-ATOM   2481  OD1 ASN A 311      22.436 -14.363   7.885  1.00 93.47           O  
-ATOM   2482  N   LYS A 312      23.947 -12.319   9.879  1.00 91.29           N  
-ATOM   2483  CA  LYS A 312      24.335 -12.571  11.264  1.00 91.29           C  
-ATOM   2484  C   LYS A 312      24.028 -14.010  11.668  1.00 91.29           C  
-ATOM   2485  CB  LYS A 312      23.624 -11.599  12.207  1.00 91.29           C  
-ATOM   2486  O   LYS A 312      24.529 -14.496  12.684  1.00 91.29           O  
-ATOM   2487  CG  LYS A 312      24.050 -10.148  12.037  1.00 91.29           C  
-ATOM   2488  CD  LYS A 312      23.309  -9.231  13.000  1.00 91.29           C  
-ATOM   2489  CE  LYS A 312      23.703  -7.774  12.802  1.00 91.29           C  
-ATOM   2490  NZ  LYS A 312      22.913  -6.861  13.681  1.00 91.29           N  
-ATOM   2491  N   ARG A 313      23.324 -14.760  10.827  1.00 86.32           N  
-ATOM   2492  CA  ARG A 313      22.930 -16.141  11.087  1.00 86.32           C  
-ATOM   2493  C   ARG A 313      23.599 -17.096  10.104  1.00 86.32           C  
-ATOM   2494  CB  ARG A 313      21.409 -16.290  11.010  1.00 86.32           C  
-ATOM   2495  O   ARG A 313      22.946 -17.983   9.551  1.00 86.32           O  
-ATOM   2496  CG  ARG A 313      20.658 -15.502  12.072  1.00 86.32           C  
-ATOM   2497  CD  ARG A 313      19.151 -15.654  11.926  1.00 86.32           C  
-ATOM   2498  NE  ARG A 313      18.429 -14.746  12.814  1.00 86.32           N  
-ATOM   2499  NH1 ARG A 313      16.327 -15.462  12.176  1.00 86.32           N  
-ATOM   2500  NH2 ARG A 313      16.552 -13.813  13.752  1.00 86.32           N  
-ATOM   2501  CZ  ARG A 313      17.104 -14.676  12.912  1.00 86.32           C  
-ATOM   2502  N   LYS A 314      24.877 -16.924   9.836  1.00 84.05           N  
-ATOM   2503  CA  LYS A 314      25.615 -17.674   8.824  1.00 84.05           C  
-ATOM   2504  C   LYS A 314      25.671 -19.159   9.171  1.00 84.05           C  
-ATOM   2505  CB  LYS A 314      27.032 -17.117   8.671  1.00 84.05           C  
-ATOM   2506  O   LYS A 314      25.796 -20.005   8.283  1.00 84.05           O  
-ATOM   2507  CG  LYS A 314      27.095 -15.772   7.963  1.00 84.05           C  
-ATOM   2508  CD  LYS A 314      28.534 -15.310   7.770  1.00 84.05           C  
-ATOM   2509  CE  LYS A 314      28.597 -13.933   7.122  1.00 84.05           C  
-ATOM   2510  NZ  LYS A 314      30.006 -13.491   6.897  1.00 84.05           N  
-ATOM   2511  N   ASP A 315      25.423 -19.447  10.420  1.00 81.96           N  
-ATOM   2512  CA  ASP A 315      25.499 -20.819  10.912  1.00 81.96           C  
-ATOM   2513  C   ASP A 315      24.185 -21.560  10.678  1.00 81.96           C  
-ATOM   2514  CB  ASP A 315      25.856 -20.837  12.400  1.00 81.96           C  
-ATOM   2515  O   ASP A 315      24.174 -22.784  10.531  1.00 81.96           O  
-ATOM   2516  CG  ASP A 315      24.953 -19.947  13.236  1.00 81.96           C  
-ATOM   2517  OD1 ASP A 315      24.563 -18.858  12.763  1.00 81.96           O  
-ATOM   2518  OD2 ASP A 315      24.632 -20.337  14.380  1.00 81.96           O  
-ATOM   2519  N   THR A 316      23.135 -20.803  10.520  1.00 81.66           N  
-ATOM   2520  CA  THR A 316      21.827 -21.446  10.471  1.00 81.66           C  
-ATOM   2521  C   THR A 316      21.095 -21.087   9.181  1.00 81.66           C  
-ATOM   2522  CB  THR A 316      20.963 -21.048  11.683  1.00 81.66           C  
-ATOM   2523  O   THR A 316      20.181 -21.800   8.761  1.00 81.66           O  
-ATOM   2524  CG2 THR A 316      21.581 -21.544  12.986  1.00 81.66           C  
-ATOM   2525  OG1 THR A 316      20.852 -19.620  11.733  1.00 81.66           O  
-ATOM   2526  N   LYS A 317      21.575 -20.069   8.434  1.00 82.57           N  
-ATOM   2527  CA  LYS A 317      20.896 -19.610   7.226  1.00 82.57           C  
-ATOM   2528  C   LYS A 317      21.897 -19.305   6.115  1.00 82.57           C  
-ATOM   2529  CB  LYS A 317      20.050 -18.371   7.523  1.00 82.57           C  
-ATOM   2530  O   LYS A 317      22.744 -18.422   6.260  1.00 82.57           O  
-ATOM   2531  CG  LYS A 317      19.178 -17.923   6.359  1.00 82.57           C  
-ATOM   2532  CD  LYS A 317      18.263 -16.772   6.756  1.00 82.57           C  
-ATOM   2533  CE  LYS A 317      17.361 -16.351   5.604  1.00 82.57           C  
-ATOM   2534  NZ  LYS A 317      16.402 -15.281   6.014  1.00 82.57           N  
-ATOM   2535  N   GLU A 318      21.797 -20.085   5.090  1.00 84.34           N  
-ATOM   2536  CA  GLU A 318      22.676 -19.901   3.940  1.00 84.34           C  
-ATOM   2537  C   GLU A 318      22.061 -18.943   2.923  1.00 84.34           C  
-ATOM   2538  CB  GLU A 318      22.983 -21.246   3.276  1.00 84.34           C  
-ATOM   2539  O   GLU A 318      20.874 -19.044   2.607  1.00 84.34           O  
-ATOM   2540  CG  GLU A 318      24.065 -21.173   2.209  1.00 84.34           C  
-ATOM   2541  CD  GLU A 318      24.459 -22.535   1.660  1.00 84.34           C  
-ATOM   2542  OE1 GLU A 318      25.470 -22.624   0.927  1.00 84.34           O  
-ATOM   2543  OE2 GLU A 318      23.751 -23.520   1.964  1.00 84.34           O  
-ATOM   2544  N   ILE A 319      22.859 -17.941   2.483  1.00 90.20           N  
-ATOM   2545  CA  ILE A 319      22.449 -17.026   1.424  1.00 90.20           C  
-ATOM   2546  C   ILE A 319      23.010 -17.500   0.086  1.00 90.20           C  
-ATOM   2547  CB  ILE A 319      22.909 -15.580   1.716  1.00 90.20           C  
-ATOM   2548  O   ILE A 319      24.220 -17.700  -0.051  1.00 90.20           O  
-ATOM   2549  CG1 ILE A 319      22.236 -15.051   2.988  1.00 90.20           C  
-ATOM   2550  CG2 ILE A 319      22.616 -14.668   0.521  1.00 90.20           C  
-ATOM   2551  CD1 ILE A 319      22.715 -13.671   3.415  1.00 90.20           C  
-ATOM   2552  N   TYR A 320      22.066 -17.781  -0.916  1.00 91.23           N  
-ATOM   2553  CA  TYR A 320      22.471 -18.224  -2.246  1.00 91.23           C  
-ATOM   2554  C   TYR A 320      22.712 -17.035  -3.168  1.00 91.23           C  
-ATOM   2555  CB  TYR A 320      21.410 -19.148  -2.851  1.00 91.23           C  
-ATOM   2556  O   TYR A 320      21.796 -16.253  -3.435  1.00 91.23           O  
-ATOM   2557  CG  TYR A 320      21.134 -20.380  -2.024  1.00 91.23           C  
-ATOM   2558  CD1 TYR A 320      21.878 -21.544  -2.203  1.00 91.23           C  
-ATOM   2559  CD2 TYR A 320      20.129 -20.383  -1.063  1.00 91.23           C  
-ATOM   2560  CE1 TYR A 320      21.626 -22.682  -1.444  1.00 91.23           C  
-ATOM   2561  CE2 TYR A 320      19.868 -21.515  -0.298  1.00 91.23           C  
-ATOM   2562  OH  TYR A 320      20.368 -23.782   0.258  1.00 91.23           O  
-ATOM   2563  CZ  TYR A 320      20.621 -22.658  -0.496  1.00 91.23           C  
-ATOM   2564  N   THR A 321      23.978 -16.921  -3.597  1.00 94.36           N  
-ATOM   2565  CA  THR A 321      24.373 -15.736  -4.350  1.00 94.36           C  
-ATOM   2566  C   THR A 321      24.621 -16.085  -5.815  1.00 94.36           C  
-ATOM   2567  CB  THR A 321      25.636 -15.090  -3.752  1.00 94.36           C  
-ATOM   2568  O   THR A 321      25.287 -17.077  -6.119  1.00 94.36           O  
-ATOM   2569  CG2 THR A 321      25.996 -13.803  -4.488  1.00 94.36           C  
-ATOM   2570  OG1 THR A 321      25.404 -14.789  -2.371  1.00 94.36           O  
-ATOM   2571  N   HIS A 322      24.065 -15.235  -6.755  1.00 95.23           N  
-ATOM   2572  CA  HIS A 322      24.239 -15.408  -8.192  1.00 95.23           C  
-ATOM   2573  C   HIS A 322      24.549 -14.079  -8.874  1.00 95.23           C  
-ATOM   2574  CB  HIS A 322      22.988 -16.035  -8.811  1.00 95.23           C  
-ATOM   2575  O   HIS A 322      23.928 -13.059  -8.567  1.00 95.23           O  
-ATOM   2576  CG  HIS A 322      22.673 -17.396  -8.277  1.00 95.23           C  
-ATOM   2577  CD2 HIS A 322      21.853 -17.789  -7.273  1.00 95.23           C  
-ATOM   2578  ND1 HIS A 322      23.236 -18.545  -8.788  1.00 95.23           N  
-ATOM   2579  CE1 HIS A 322      22.774 -19.589  -8.120  1.00 95.23           C  
-ATOM   2580  NE2 HIS A 322      21.933 -19.158  -7.196  1.00 95.23           N  
-ATOM   2581  N   PHE A 323      25.546 -14.141  -9.717  1.00 95.96           N  
-ATOM   2582  CA  PHE A 323      25.763 -12.996 -10.593  1.00 95.96           C  
-ATOM   2583  C   PHE A 323      24.828 -13.048 -11.795  1.00 95.96           C  
-ATOM   2584  CB  PHE A 323      27.220 -12.946 -11.063  1.00 95.96           C  
-ATOM   2585  O   PHE A 323      24.791 -14.047 -12.516  1.00 95.96           O  
-ATOM   2586  CG  PHE A 323      28.206 -12.686  -9.956  1.00 95.96           C  
-ATOM   2587  CD1 PHE A 323      28.516 -11.386  -9.573  1.00 95.96           C  
-ATOM   2588  CD2 PHE A 323      28.824 -13.742  -9.299  1.00 95.96           C  
-ATOM   2589  CE1 PHE A 323      29.429 -11.143  -8.550  1.00 95.96           C  
-ATOM   2590  CE2 PHE A 323      29.737 -13.506  -8.274  1.00 95.96           C  
-ATOM   2591  CZ  PHE A 323      30.039 -12.206  -7.902  1.00 95.96           C  
-ATOM   2592  N   THR A 324      24.073 -11.895 -11.969  1.00 95.59           N  
-ATOM   2593  CA  THR A 324      23.020 -11.964 -12.976  1.00 95.59           C  
-ATOM   2594  C   THR A 324      23.079 -10.754 -13.905  1.00 95.59           C  
-ATOM   2595  CB  THR A 324      21.627 -12.045 -12.324  1.00 95.59           C  
-ATOM   2596  O   THR A 324      23.634  -9.715 -13.543  1.00 95.59           O  
-ATOM   2597  CG2 THR A 324      21.508 -13.277 -11.433  1.00 95.59           C  
-ATOM   2598  OG1 THR A 324      21.409 -10.872 -11.530  1.00 95.59           O  
-ATOM   2599  N   CYS A 325      22.628 -10.982 -15.110  1.00 95.25           N  
-ATOM   2600  CA  CYS A 325      22.266  -9.963 -16.089  1.00 95.25           C  
-ATOM   2601  C   CYS A 325      20.809 -10.106 -16.512  1.00 95.25           C  
-ATOM   2602  CB  CYS A 325      23.173 -10.051 -17.316  1.00 95.25           C  
-ATOM   2603  O   CYS A 325      20.471 -10.989 -17.303  1.00 95.25           O  
-ATOM   2604  SG  CYS A 325      22.872  -8.757 -18.539  1.00 95.25           S  
-ATOM   2605  N   ALA A 326      20.022  -9.229 -15.971  1.00 93.76           N  
-ATOM   2606  CA  ALA A 326      18.573  -9.382 -16.067  1.00 93.76           C  
-ATOM   2607  C   ALA A 326      18.099  -9.221 -17.508  1.00 93.76           C  
-ATOM   2608  CB  ALA A 326      17.870  -8.371 -15.164  1.00 93.76           C  
-ATOM   2609  O   ALA A 326      17.014  -9.685 -17.867  1.00 93.76           O  
-ATOM   2610  N   THR A 327      18.932  -8.632 -18.335  1.00 93.24           N  
-ATOM   2611  CA  THR A 327      18.557  -8.440 -19.732  1.00 93.24           C  
-ATOM   2612  C   THR A 327      19.006  -9.626 -20.581  1.00 93.24           C  
-ATOM   2613  CB  THR A 327      19.161  -7.141 -20.298  1.00 93.24           C  
-ATOM   2614  O   THR A 327      18.677  -9.707 -21.766  1.00 93.24           O  
-ATOM   2615  CG2 THR A 327      18.582  -5.915 -19.600  1.00 93.24           C  
-ATOM   2616  OG1 THR A 327      20.581  -7.159 -20.109  1.00 93.24           O  
-ATOM   2617  N   ASP A 328      19.801 -10.534 -20.001  1.00 94.48           N  
-ATOM   2618  CA  ASP A 328      20.259 -11.756 -20.655  1.00 94.48           C  
-ATOM   2619  C   ASP A 328      19.350 -12.935 -20.314  1.00 94.48           C  
-ATOM   2620  CB  ASP A 328      21.701 -12.071 -20.255  1.00 94.48           C  
-ATOM   2621  O   ASP A 328      19.421 -13.481 -19.211  1.00 94.48           O  
-ATOM   2622  CG  ASP A 328      22.289 -13.241 -21.025  1.00 94.48           C  
-ATOM   2623  OD1 ASP A 328      21.520 -14.033 -21.610  1.00 94.48           O  
-ATOM   2624  OD2 ASP A 328      23.531 -13.372 -21.044  1.00 94.48           O  
-ATOM   2625  N   THR A 329      18.491 -13.354 -21.274  1.00 93.26           N  
-ATOM   2626  CA  THR A 329      17.458 -14.362 -21.065  1.00 93.26           C  
-ATOM   2627  C   THR A 329      18.079 -15.698 -20.665  1.00 93.26           C  
-ATOM   2628  CB  THR A 329      16.598 -14.551 -22.328  1.00 93.26           C  
-ATOM   2629  O   THR A 329      17.566 -16.386 -19.779  1.00 93.26           O  
-ATOM   2630  CG2 THR A 329      15.492 -15.574 -22.093  1.00 93.26           C  
-ATOM   2631  OG1 THR A 329      16.005 -13.297 -22.687  1.00 93.26           O  
-ATOM   2632  N   LYS A 330      19.191 -16.110 -21.233  1.00 92.64           N  
-ATOM   2633  CA  LYS A 330      19.864 -17.372 -20.942  1.00 92.64           C  
-ATOM   2634  C   LYS A 330      20.409 -17.389 -19.516  1.00 92.64           C  
-ATOM   2635  CB  LYS A 330      20.997 -17.619 -21.939  1.00 92.64           C  
-ATOM   2636  O   LYS A 330      20.276 -18.387 -18.806  1.00 92.64           O  
-ATOM   2637  CG  LYS A 330      20.522 -17.968 -23.342  1.00 92.64           C  
-ATOM   2638  CD  LYS A 330      21.692 -18.269 -24.269  1.00 92.64           C  
-ATOM   2639  CE  LYS A 330      21.225 -18.517 -25.697  1.00 92.64           C  
-ATOM   2640  NZ  LYS A 330      22.373 -18.762 -26.621  1.00 92.64           N  
-ATOM   2641  N   ASN A 331      21.095 -16.240 -19.153  1.00 92.13           N  
-ATOM   2642  CA  ASN A 331      21.632 -16.095 -17.804  1.00 92.13           C  
-ATOM   2643  C   ASN A 331      20.535 -16.205 -16.749  1.00 92.13           C  
-ATOM   2644  CB  ASN A 331      22.374 -14.764 -17.662  1.00 92.13           C  
-ATOM   2645  O   ASN A 331      20.688 -16.927 -15.762  1.00 92.13           O  
-ATOM   2646  CG  ASN A 331      22.959 -14.567 -16.277  1.00 92.13           C  
-ATOM   2647  ND2 ASN A 331      23.946 -15.385 -15.928  1.00 92.13           N  
-ATOM   2648  OD1 ASN A 331      22.528 -13.688 -15.527  1.00 92.13           O  
-ATOM   2649  N   VAL A 332      19.331 -15.513 -16.935  1.00 91.82           N  
-ATOM   2650  CA  VAL A 332      18.228 -15.484 -15.981  1.00 91.82           C  
-ATOM   2651  C   VAL A 332      17.579 -16.865 -15.899  1.00 91.82           C  
-ATOM   2652  CB  VAL A 332      17.173 -14.422 -16.364  1.00 91.82           C  
-ATOM   2653  O   VAL A 332      17.226 -17.328 -14.812  1.00 91.82           O  
-ATOM   2654  CG1 VAL A 332      15.935 -14.546 -15.477  1.00 91.82           C  
-ATOM   2655  CG2 VAL A 332      17.769 -13.019 -16.262  1.00 91.82           C  
-ATOM   2656  N   GLN A 333      17.437 -17.507 -17.031  1.00 90.58           N  
-ATOM   2657  CA  GLN A 333      16.888 -18.859 -17.052  1.00 90.58           C  
-ATOM   2658  C   GLN A 333      17.759 -19.819 -16.247  1.00 90.58           C  
-ATOM   2659  CB  GLN A 333      16.747 -19.359 -18.491  1.00 90.58           C  
-ATOM   2660  O   GLN A 333      17.247 -20.622 -15.465  1.00 90.58           O  
-ATOM   2661  CG  GLN A 333      16.061 -20.713 -18.607  1.00 90.58           C  
-ATOM   2662  CD  GLN A 333      14.592 -20.661 -18.229  1.00 90.58           C  
-ATOM   2663  NE2 GLN A 333      14.107 -21.718 -17.587  1.00 90.58           N  
-ATOM   2664  OE1 GLN A 333      13.900 -19.678 -18.512  1.00 90.58           O  
-ATOM   2665  N   PHE A 334      19.059 -19.788 -16.450  1.00 88.61           N  
-ATOM   2666  CA  PHE A 334      20.012 -20.642 -15.750  1.00 88.61           C  
-ATOM   2667  C   PHE A 334      19.956 -20.398 -14.247  1.00 88.61           C  
-ATOM   2668  CB  PHE A 334      21.433 -20.401 -16.269  1.00 88.61           C  
-ATOM   2669  O   PHE A 334      19.896 -21.345 -13.461  1.00 88.61           O  
-ATOM   2670  CG  PHE A 334      22.487 -21.188 -15.537  1.00 88.61           C  
-ATOM   2671  CD1 PHE A 334      23.252 -20.593 -14.541  1.00 88.61           C  
-ATOM   2672  CD2 PHE A 334      22.714 -22.523 -15.846  1.00 88.61           C  
-ATOM   2673  CE1 PHE A 334      24.228 -21.319 -13.862  1.00 88.61           C  
-ATOM   2674  CE2 PHE A 334      23.688 -23.254 -15.173  1.00 88.61           C  
-ATOM   2675  CZ  PHE A 334      24.445 -22.650 -14.182  1.00 88.61           C  
-ATOM   2676  N   VAL A 335      20.002 -19.157 -13.847  1.00 87.14           N  
-ATOM   2677  CA  VAL A 335      20.027 -18.754 -12.445  1.00 87.14           C  
-ATOM   2678  C   VAL A 335      18.708 -19.131 -11.775  1.00 87.14           C  
-ATOM   2679  CB  VAL A 335      20.287 -17.238 -12.294  1.00 87.14           C  
-ATOM   2680  O   VAL A 335      18.698 -19.640 -10.651  1.00 87.14           O  
-ATOM   2681  CG1 VAL A 335      20.085 -16.797 -10.845  1.00 87.14           C  
-ATOM   2682  CG2 VAL A 335      21.695 -16.889 -12.771  1.00 87.14           C  
-ATOM   2683  N   PHE A 336      17.596 -18.906 -12.460  1.00 86.03           N  
-ATOM   2684  CA  PHE A 336      16.286 -19.211 -11.897  1.00 86.03           C  
-ATOM   2685  C   PHE A 336      16.091 -20.716 -11.765  1.00 86.03           C  
-ATOM   2686  CB  PHE A 336      15.174 -18.612 -12.764  1.00 86.03           C  
-ATOM   2687  O   PHE A 336      15.483 -21.186 -10.801  1.00 86.03           O  
-ATOM   2688  CG  PHE A 336      13.844 -18.519 -12.066  1.00 86.03           C  
-ATOM   2689  CD1 PHE A 336      12.846 -19.452 -12.317  1.00 86.03           C  
-ATOM   2690  CD2 PHE A 336      13.593 -17.498 -11.159  1.00 86.03           C  
-ATOM   2691  CE1 PHE A 336      11.613 -19.368 -11.673  1.00 86.03           C  
-ATOM   2692  CE2 PHE A 336      12.364 -17.408 -10.511  1.00 86.03           C  
-ATOM   2693  CZ  PHE A 336      11.375 -18.344 -10.770  1.00 86.03           C  
-ATOM   2694  N   ASP A 337      16.537 -21.539 -12.710  1.00 86.48           N  
-ATOM   2695  CA  ASP A 337      16.521 -22.993 -12.587  1.00 86.48           C  
-ATOM   2696  C   ASP A 337      17.279 -23.447 -11.342  1.00 86.48           C  
-ATOM   2697  CB  ASP A 337      17.121 -23.644 -13.835  1.00 86.48           C  
-ATOM   2698  O   ASP A 337      16.833 -24.352 -10.633  1.00 86.48           O  
-ATOM   2699  CG  ASP A 337      16.195 -23.586 -15.037  1.00 86.48           C  
-ATOM   2700  OD1 ASP A 337      14.999 -23.264 -14.871  1.00 86.48           O  
-ATOM   2701  OD2 ASP A 337      16.665 -23.868 -16.160  1.00 86.48           O  
-ATOM   2702  N   ALA A 338      18.395 -22.853 -11.068  1.00 83.03           N  
-ATOM   2703  CA  ALA A 338      19.231 -23.156  -9.909  1.00 83.03           C  
-ATOM   2704  C   ALA A 338      18.533 -22.761  -8.611  1.00 83.03           C  
-ATOM   2705  CB  ALA A 338      20.577 -22.445 -10.023  1.00 83.03           C  
-ATOM   2706  O   ALA A 338      18.566 -23.507  -7.629  1.00 83.03           O  
-ATOM   2707  N   VAL A 339      17.839 -21.604  -8.582  1.00 81.20           N  
-ATOM   2708  CA  VAL A 339      17.129 -21.061  -7.429  1.00 81.20           C  
-ATOM   2709  C   VAL A 339      15.921 -21.937  -7.107  1.00 81.20           C  
-ATOM   2710  CB  VAL A 339      16.679 -19.603  -7.674  1.00 81.20           C  
-ATOM   2711  O   VAL A 339      15.641 -22.215  -5.938  1.00 81.20           O  
-ATOM   2712  CG1 VAL A 339      15.725 -19.140  -6.575  1.00 81.20           C  
-ATOM   2713  CG2 VAL A 339      17.892 -18.678  -7.757  1.00 81.20           C  
-ATOM   2714  N   THR A 340      15.205 -22.390  -8.148  1.00 81.05           N  
-ATOM   2715  CA  THR A 340      14.025 -23.238  -8.014  1.00 81.05           C  
-ATOM   2716  C   THR A 340      14.398 -24.592  -7.415  1.00 81.05           C  
-ATOM   2717  CB  THR A 340      13.330 -23.448  -9.372  1.00 81.05           C  
-ATOM   2718  O   THR A 340      13.658 -25.137  -6.593  1.00 81.05           O  
-ATOM   2719  CG2 THR A 340      12.041 -24.248  -9.212  1.00 81.05           C  
-ATOM   2720  OG1 THR A 340      13.020 -22.173  -9.946  1.00 81.05           O  
-ATOM   2721  N   ASP A 341      15.502 -25.088  -7.708  1.00 78.30           N  
-ATOM   2722  CA  ASP A 341      15.999 -26.345  -7.155  1.00 78.30           C  
-ATOM   2723  C   ASP A 341      16.277 -26.215  -5.659  1.00 78.30           C  
-ATOM   2724  CB  ASP A 341      17.266 -26.790  -7.888  1.00 78.30           C  
-ATOM   2725  O   ASP A 341      15.993 -27.134  -4.887  1.00 78.30           O  
-ATOM   2726  CG  ASP A 341      16.986 -27.330  -9.280  1.00 78.30           C  
-ATOM   2727  OD1 ASP A 341      15.818 -27.651  -9.587  1.00 78.30           O  
-ATOM   2728  OD2 ASP A 341      17.944 -27.439 -10.076  1.00 78.30           O  
-ATOM   2729  N   VAL A 342      16.729 -25.074  -5.279  1.00 73.46           N  
-ATOM   2730  CA  VAL A 342      17.050 -24.762  -3.890  1.00 73.46           C  
-ATOM   2731  C   VAL A 342      15.762 -24.561  -3.094  1.00 73.46           C  
-ATOM   2732  CB  VAL A 342      17.944 -23.507  -3.782  1.00 73.46           C  
-ATOM   2733  O   VAL A 342      15.639 -25.045  -1.967  1.00 73.46           O  
-ATOM   2734  CG1 VAL A 342      18.113 -23.088  -2.322  1.00 73.46           C  
-ATOM   2735  CG2 VAL A 342      19.304 -23.764  -4.429  1.00 73.46           C  
-ATOM   2736  N   ILE A 343      14.779 -23.888  -3.690  1.00 74.52           N  
-ATOM   2737  CA  ILE A 343      13.496 -23.562  -3.076  1.00 74.52           C  
-ATOM   2738  C   ILE A 343      12.669 -24.834  -2.904  1.00 74.52           C  
-ATOM   2739  CB  ILE A 343      12.716 -22.524  -3.914  1.00 74.52           C  
-ATOM   2740  O   ILE A 343      12.044 -25.040  -1.861  1.00 74.52           O  
-ATOM   2741  CG1 ILE A 343      13.455 -21.181  -3.922  1.00 74.52           C  
-ATOM   2742  CG2 ILE A 343      11.290 -22.362  -3.380  1.00 74.52           C  
-ATOM   2743  CD1 ILE A 343      12.859 -20.153  -4.874  1.00 74.52           C  
-ATOM   2744  N   ILE A 344      12.750 -25.708  -3.836  1.00 71.80           N  
-ATOM   2745  CA  ILE A 344      12.033 -26.978  -3.837  1.00 71.80           C  
-ATOM   2746  C   ILE A 344      12.668 -27.929  -2.825  1.00 71.80           C  
-ATOM   2747  CB  ILE A 344      12.023 -27.620  -5.243  1.00 71.80           C  
-ATOM   2748  O   ILE A 344      11.962 -28.640  -2.104  1.00 71.80           O  
-ATOM   2749  CG1 ILE A 344      11.192 -26.772  -6.211  1.00 71.80           C  
-ATOM   2750  CG2 ILE A 344      11.492 -29.055  -5.177  1.00 71.80           C  
-ATOM   2751  CD1 ILE A 344      11.239 -27.254  -7.655  1.00 71.80           C  
-ATOM   2752  N   LYS A 345      13.939 -27.963  -2.689  1.00 69.40           N  
-ATOM   2753  CA  LYS A 345      14.673 -28.787  -1.734  1.00 69.40           C  
-ATOM   2754  C   LYS A 345      14.355 -28.381  -0.298  1.00 69.40           C  
-ATOM   2755  CB  LYS A 345      16.179 -28.687  -1.984  1.00 69.40           C  
-ATOM   2756  O   LYS A 345      14.173 -29.238   0.570  1.00 69.40           O  
-ATOM   2757  CG  LYS A 345      16.678 -29.573  -3.117  1.00 69.40           C  
-ATOM   2758  CD  LYS A 345      18.195 -29.526  -3.236  1.00 69.40           C  
-ATOM   2759  CE  LYS A 345      18.692 -30.369  -4.402  1.00 69.40           C  
-ATOM   2760  NZ  LYS A 345      20.178 -30.304  -4.540  1.00 69.40           N  
-ATOM   2761  N   ASN A 346      14.140 -27.089  -0.026  1.00 66.03           N  
-ATOM   2762  CA  ASN A 346      13.886 -26.542   1.303  1.00 66.03           C  
-ATOM   2763  C   ASN A 346      12.412 -26.648   1.681  1.00 66.03           C  
-ATOM   2764  CB  ASN A 346      14.352 -25.087   1.382  1.00 66.03           C  
-ATOM   2765  O   ASN A 346      12.078 -26.819   2.855  1.00 66.03           O  
-ATOM   2766  CG  ASN A 346      15.857 -24.962   1.513  1.00 66.03           C  
-ATOM   2767  ND2 ASN A 346      16.382 -23.778   1.219  1.00 66.03           N  
-ATOM   2768  OD1 ASN A 346      16.543 -25.921   1.875  1.00 66.03           O  
-ATOM   2769  N   ASN A 347      11.473 -26.546   0.666  1.00 61.66           N  
-ATOM   2770  CA  ASN A 347      10.029 -26.669   0.833  1.00 61.66           C  
-ATOM   2771  C   ASN A 347       9.605 -28.126   0.991  1.00 61.66           C  
-ATOM   2772  CB  ASN A 347       9.296 -26.028  -0.347  1.00 61.66           C  
-ATOM   2773  O   ASN A 347       8.637 -28.422   1.695  1.00 61.66           O  
-ATOM   2774  CG  ASN A 347       8.942 -24.575  -0.095  1.00 61.66           C  
-ATOM   2775  ND2 ASN A 347       8.977 -23.765  -1.147  1.00 61.66           N  
-ATOM   2776  OD1 ASN A 347       8.640 -24.184   1.035  1.00 61.66           O  
-ATOM   2777  N   LEU A 348      10.326 -29.117   0.467  1.00 56.23           N  
-ATOM   2778  CA  LEU A 348      10.125 -30.558   0.578  1.00 56.23           C  
-ATOM   2779  C   LEU A 348      10.685 -31.084   1.895  1.00 56.23           C  
-ATOM   2780  CB  LEU A 348      10.786 -31.283  -0.597  1.00 56.23           C  
-ATOM   2781  O   LEU A 348      10.185 -32.074   2.435  1.00 56.23           O  
-ATOM   2782  CG  LEU A 348      10.096 -31.143  -1.955  1.00 56.23           C  
-ATOM   2783  CD1 LEU A 348      10.994 -31.682  -3.064  1.00 56.23           C  
-ATOM   2784  CD2 LEU A 348       8.753 -31.864  -1.950  1.00 56.23           C  
-ATOM   2785  N   LYS A 349      11.654 -30.412   2.554  1.00 53.94           N  
-ATOM   2786  CA  LYS A 349      12.165 -30.708   3.890  1.00 53.94           C  
-ATOM   2787  C   LYS A 349      11.146 -30.336   4.963  1.00 53.94           C  
-ATOM   2788  CB  LYS A 349      13.481 -29.969   4.137  1.00 53.94           C  
-ATOM   2789  O   LYS A 349      11.007 -31.040   5.965  1.00 53.94           O  
-ATOM   2790  CG  LYS A 349      14.700 -30.659   3.544  1.00 53.94           C  
-ATOM   2791  CD  LYS A 349      15.990 -29.954   3.941  1.00 53.94           C  
-ATOM   2792  CE  LYS A 349      17.202 -30.582   3.265  1.00 53.94           C  
-ATOM   2793  NZ  LYS A 349      18.468 -29.884   3.638  1.00 53.94           N  
-ATOM   2794  N   ASP A 350      10.211 -29.352   4.725  1.00 46.37           N  
-ATOM   2795  CA  ASP A 350       9.164 -28.834   5.600  1.00 46.37           C  
-ATOM   2796  C   ASP A 350       7.886 -29.661   5.476  1.00 46.37           C  
-ATOM   2797  CB  ASP A 350       8.874 -27.366   5.280  1.00 46.37           C  
-ATOM   2798  O   ASP A 350       7.099 -29.742   6.422  1.00 46.37           O  
-ATOM   2799  CG  ASP A 350       9.939 -26.422   5.810  1.00 46.37           C  
-ATOM   2800  OD1 ASP A 350      10.735 -26.829   6.684  1.00 46.37           O  
-ATOM   2801  OD2 ASP A 350       9.980 -25.259   5.353  1.00 46.37           O  
-ATOM   2802  N   CYS A 351       7.785 -30.570   4.419  1.00 41.01           N  
-ATOM   2803  CA  CYS A 351       6.660 -31.465   4.172  1.00 41.01           C  
-ATOM   2804  C   CYS A 351       7.013 -32.901   4.543  1.00 41.01           C  
-ATOM   2805  CB  CYS A 351       6.233 -31.398   2.706  1.00 41.01           C  
-ATOM   2806  O   CYS A 351       6.165 -33.792   4.469  1.00 41.01           O  
-ATOM   2807  SG  CYS A 351       5.627 -29.774   2.198  1.00 41.01           S  
-ATOM   2808  N   GLY A 352       8.238 -33.200   5.314  1.00 30.46           N  
-ATOM   2809  CA  GLY A 352       8.569 -34.516   5.835  1.00 30.46           C  
-ATOM   2810  C   GLY A 352       8.898 -35.523   4.749  1.00 30.46           C  
-ATOM   2811  O   GLY A 352       8.871 -36.732   4.987  1.00 30.46           O  
-ATOM   2812  N   LEU A 353       9.243 -35.210   3.512  1.00 32.77           N  
-ATOM   2813  CA  LEU A 353       9.611 -36.112   2.426  1.00 32.77           C  
-ATOM   2814  C   LEU A 353      11.115 -36.079   2.178  1.00 32.77           C  
-ATOM   2815  CB  LEU A 353       8.862 -35.740   1.144  1.00 32.77           C  
-ATOM   2816  O   LEU A 353      11.645 -36.911   1.438  1.00 32.77           O  
-ATOM   2817  CG  LEU A 353       7.398 -36.175   1.063  1.00 32.77           C  
-ATOM   2818  CD1 LEU A 353       6.642 -35.307   0.062  1.00 32.77           C  
-ATOM   2819  CD2 LEU A 353       7.298 -37.648   0.683  1.00 32.77           C  
-ATOM   2820  N   PHE A 354      11.959 -35.967   3.262  1.00 34.31           N  
-ATOM   2821  CA  PHE A 354      13.367 -36.295   3.454  1.00 34.31           C  
-ATOM   2822  C   PHE A 354      13.701 -36.398   4.937  1.00 34.31           C  
-ATOM   2823  CB  PHE A 354      14.261 -35.246   2.786  1.00 34.31           C  
-ATOM   2824  O   PHE A 354      13.112 -35.696   5.762  1.00 34.31           O  
-ATOM   2825  CG  PHE A 354      14.182 -35.249   1.283  1.00 34.31           C  
-ATOM   2826  CD1 PHE A 354      14.918 -36.160   0.536  1.00 34.31           C  
-ATOM   2827  CD2 PHE A 354      13.370 -34.340   0.617  1.00 34.31           C  
-ATOM   2828  CE1 PHE A 354      14.847 -36.165  -0.855  1.00 34.31           C  
-ATOM   2829  CE2 PHE A 354      13.293 -34.339  -0.773  1.00 34.31           C  
-ATOM   2830  CZ  PHE A 354      14.033 -35.251  -1.507  1.00 34.31           C  
-ATOM   2831  N   MET B 555      18.568  33.210  12.223  1.00 56.77           N  
-ATOM   2832  CA  MET B 555      17.338  32.431  12.323  1.00 56.77           C  
-ATOM   2833  C   MET B 555      16.503  32.567  11.054  1.00 56.77           C  
-ATOM   2834  CB  MET B 555      16.519  32.871  13.538  1.00 56.77           C  
-ATOM   2835  O   MET B 555      16.222  33.681  10.607  1.00 56.77           O  
-ATOM   2836  CG  MET B 555      16.136  31.729  14.465  1.00 56.77           C  
-ATOM   2837  SD  MET B 555      15.081  32.281  15.861  1.00 56.77           S  
-ATOM   2838  CE  MET B 555      16.273  33.293  16.782  1.00 56.77           C  
-ATOM   2839  N   SER B 556      16.410  31.567  10.141  1.00 81.18           N  
-ATOM   2840  CA  SER B 556      15.705  31.482   8.866  1.00 81.18           C  
-ATOM   2841  C   SER B 556      14.236  31.861   9.020  1.00 81.18           C  
-ATOM   2842  CB  SER B 556      15.819  30.072   8.284  1.00 81.18           C  
-ATOM   2843  O   SER B 556      13.683  31.790  10.119  1.00 81.18           O  
-ATOM   2844  OG  SER B 556      14.934  29.183   8.944  1.00 81.18           O  
-ATOM   2845  N   GLU B 557      13.648  32.814   8.309  1.00 83.15           N  
-ATOM   2846  CA  GLU B 557      12.237  33.166   8.178  1.00 83.15           C  
-ATOM   2847  C   GLU B 557      11.340  31.966   8.464  1.00 83.15           C  
-ATOM   2848  CB  GLU B 557      11.949  33.718   6.779  1.00 83.15           C  
-ATOM   2849  O   GLU B 557      10.295  32.104   9.104  1.00 83.15           O  
-ATOM   2850  CG  GLU B 557      10.613  34.437   6.665  1.00 83.15           C  
-ATOM   2851  CD  GLU B 557      10.381  35.059   5.297  1.00 83.15           C  
-ATOM   2852  OE1 GLU B 557       9.300  35.651   5.074  1.00 83.15           O  
-ATOM   2853  OE2 GLU B 557      11.287  34.952   4.440  1.00 83.15           O  
-ATOM   2854  N   LEU B 558      11.701  30.825   8.163  1.00 79.35           N  
-ATOM   2855  CA  LEU B 558      10.991  29.578   8.425  1.00 79.35           C  
-ATOM   2856  C   LEU B 558      11.053  29.218   9.905  1.00 79.35           C  
-ATOM   2857  CB  LEU B 558      11.578  28.440   7.586  1.00 79.35           C  
-ATOM   2858  O   LEU B 558      10.060  28.764  10.480  1.00 79.35           O  
-ATOM   2859  CG  LEU B 558      10.663  27.241   7.335  1.00 79.35           C  
-ATOM   2860  CD1 LEU B 558      10.221  27.207   5.876  1.00 79.35           C  
-ATOM   2861  CD2 LEU B 558      11.366  25.942   7.717  1.00 79.35           C  
-ATOM   2862  N   ASP B 559      12.141  29.434  10.540  1.00 82.36           N  
-ATOM   2863  CA  ASP B 559      12.327  29.188  11.966  1.00 82.36           C  
-ATOM   2864  C   ASP B 559      11.518  30.176  12.804  1.00 82.36           C  
-ATOM   2865  CB  ASP B 559      13.809  29.273  12.337  1.00 82.36           C  
-ATOM   2866  O   ASP B 559      10.947  29.804  13.832  1.00 82.36           O  
-ATOM   2867  CG  ASP B 559      14.601  28.054  11.899  1.00 82.36           C  
-ATOM   2868  OD1 ASP B 559      13.997  26.982  11.677  1.00 82.36           O  
-ATOM   2869  OD2 ASP B 559      15.840  28.165  11.778  1.00 82.36           O  
-ATOM   2870  N   GLN B 560      11.340  31.374  12.372  1.00 84.42           N  
-ATOM   2871  CA  GLN B 560      10.521  32.408  12.997  1.00 84.42           C  
-ATOM   2872  C   GLN B 560       9.035  32.082  12.873  1.00 84.42           C  
-ATOM   2873  CB  GLN B 560      10.813  33.774  12.375  1.00 84.42           C  
-ATOM   2874  O   GLN B 560       8.275  32.253  13.829  1.00 84.42           O  
-ATOM   2875  CG  GLN B 560      12.144  34.375  12.806  1.00 84.42           C  
-ATOM   2876  CD  GLN B 560      12.435  35.702  12.132  1.00 84.42           C  
-ATOM   2877  NE2 GLN B 560      13.613  36.257  12.397  1.00 84.42           N  
-ATOM   2878  OE1 GLN B 560      11.608  36.225  11.378  1.00 84.42           O  
-ATOM   2879  N   LEU B 561       8.643  31.630  11.759  1.00 88.17           N  
-ATOM   2880  CA  LEU B 561       7.260  31.233  11.521  1.00 88.17           C  
-ATOM   2881  C   LEU B 561       6.899  30.002  12.346  1.00 88.17           C  
-ATOM   2882  CB  LEU B 561       7.031  30.951  10.034  1.00 88.17           C  
-ATOM   2883  O   LEU B 561       5.781  29.896  12.856  1.00 88.17           O  
-ATOM   2884  CG  LEU B 561       6.936  32.172   9.119  1.00 88.17           C  
-ATOM   2885  CD1 LEU B 561       6.898  31.738   7.658  1.00 88.17           C  
-ATOM   2886  CD2 LEU B 561       5.708  33.007   9.466  1.00 88.17           C  
-ATOM   2887  N   ARG B 562       7.796  29.075  12.506  1.00 83.09           N  
-ATOM   2888  CA  ARG B 562       7.590  27.890  13.331  1.00 83.09           C  
-ATOM   2889  C   ARG B 562       7.408  28.268  14.798  1.00 83.09           C  
-ATOM   2890  CB  ARG B 562       8.764  26.920  13.182  1.00 83.09           C  
-ATOM   2891  O   ARG B 562       6.546  27.715  15.484  1.00 83.09           O  
-ATOM   2892  CG  ARG B 562       8.709  26.075  11.919  1.00 83.09           C  
-ATOM   2893  CD  ARG B 562       9.851  25.070  11.863  1.00 83.09           C  
-ATOM   2894  NE  ARG B 562       9.823  24.291  10.628  1.00 83.09           N  
-ATOM   2895  NH1 ARG B 562      11.818  23.197  11.029  1.00 83.09           N  
-ATOM   2896  NH2 ARG B 562      10.632  22.764   9.115  1.00 83.09           N  
-ATOM   2897  CZ  ARG B 562      10.758  23.419  10.260  1.00 83.09           C  
-ATOM   2898  N   GLN B 563       8.259  29.166  15.224  1.00 86.49           N  
-ATOM   2899  CA  GLN B 563       8.179  29.646  16.599  1.00 86.49           C  
-ATOM   2900  C   GLN B 563       6.867  30.386  16.847  1.00 86.49           C  
-ATOM   2901  CB  GLN B 563       9.364  30.557  16.921  1.00 86.49           C  
-ATOM   2902  O   GLN B 563       6.238  30.211  17.893  1.00 86.49           O  
-ATOM   2903  CG  GLN B 563      10.639  29.804  17.277  1.00 86.49           C  
-ATOM   2904  CD  GLN B 563      11.803  30.730  17.576  1.00 86.49           C  
-ATOM   2905  NE2 GLN B 563      12.977  30.151  17.806  1.00 86.49           N  
-ATOM   2906  OE1 GLN B 563      11.649  31.955  17.599  1.00 86.49           O  
-ATOM   2907  N   GLU B 564       6.514  31.209  15.955  1.00 91.18           N  
-ATOM   2908  CA  GLU B 564       5.247  31.929  16.035  1.00 91.18           C  
-ATOM   2909  C   GLU B 564       4.064  30.965  16.048  1.00 91.18           C  
-ATOM   2910  CB  GLU B 564       5.112  32.911  14.869  1.00 91.18           C  
-ATOM   2911  O   GLU B 564       3.108  31.157  16.803  1.00 91.18           O  
-ATOM   2912  CG  GLU B 564       3.946  33.879  15.012  1.00 91.18           C  
-ATOM   2913  CD  GLU B 564       3.850  34.876  13.868  1.00 91.18           C  
-ATOM   2914  OE1 GLU B 564       2.884  35.672  13.836  1.00 91.18           O  
-ATOM   2915  OE2 GLU B 564       4.747  34.860  12.996  1.00 91.18           O  
-ATOM   2916  N   ALA B 565       4.047  30.031  15.179  1.00 85.89           N  
-ATOM   2917  CA  ALA B 565       3.009  29.004  15.125  1.00 85.89           C  
-ATOM   2918  C   ALA B 565       2.888  28.277  16.461  1.00 85.89           C  
-ATOM   2919  CB  ALA B 565       3.303  28.009  14.005  1.00 85.89           C  
-ATOM   2920  O   ALA B 565       1.779  28.042  16.949  1.00 85.89           O  
-ATOM   2921  N   GLU B 566       3.994  27.893  17.019  1.00 85.87           N  
-ATOM   2922  CA  GLU B 566       4.024  27.209  18.308  1.00 85.87           C  
-ATOM   2923  C   GLU B 566       3.447  28.087  19.414  1.00 85.87           C  
-ATOM   2924  CB  GLU B 566       5.454  26.791  18.661  1.00 85.87           C  
-ATOM   2925  O   GLU B 566       2.720  27.602  20.283  1.00 85.87           O  
-ATOM   2926  CG  GLU B 566       5.542  25.836  19.843  1.00 85.87           C  
-ATOM   2927  CD  GLU B 566       4.794  24.532  19.618  1.00 85.87           C  
-ATOM   2928  OE1 GLU B 566       4.395  23.882  20.611  1.00 85.87           O  
-ATOM   2929  OE2 GLU B 566       4.605  24.157  18.439  1.00 85.87           O  
-ATOM   2930  N   GLN B 567       3.801  29.373  19.438  1.00 90.55           N  
-ATOM   2931  CA  GLN B 567       3.260  30.329  20.398  1.00 90.55           C  
-ATOM   2932  C   GLN B 567       1.743  30.435  20.273  1.00 90.55           C  
-ATOM   2933  CB  GLN B 567       3.900  31.704  20.207  1.00 90.55           C  
-ATOM   2934  O   GLN B 567       1.032  30.466  21.280  1.00 90.55           O  
-ATOM   2935  CG  GLN B 567       3.582  32.691  21.322  1.00 90.55           C  
-ATOM   2936  CD  GLN B 567       4.232  34.046  21.110  1.00 90.55           C  
-ATOM   2937  NE2 GLN B 567       3.970  34.978  22.020  1.00 90.55           N  
-ATOM   2938  OE1 GLN B 567       4.964  34.253  20.137  1.00 90.55           O  
-ATOM   2939  N   LEU B 568       1.243  30.530  19.100  1.00 90.32           N  
-ATOM   2940  CA  LEU B 568      -0.190  30.610  18.841  1.00 90.32           C  
-ATOM   2941  C   LEU B 568      -0.900  29.347  19.317  1.00 90.32           C  
-ATOM   2942  CB  LEU B 568      -0.454  30.826  17.348  1.00 90.32           C  
-ATOM   2943  O   LEU B 568      -1.996  29.419  19.878  1.00 90.32           O  
-ATOM   2944  CG  LEU B 568      -0.200  32.236  16.812  1.00 90.32           C  
-ATOM   2945  CD1 LEU B 568      -0.252  32.240  15.288  1.00 90.32           C  
-ATOM   2946  CD2 LEU B 568      -1.214  33.218  17.389  1.00 90.32           C  
-ATOM   2947  N   LYS B 569      -0.310  28.215  19.078  1.00 84.04           N  
-ATOM   2948  CA  LYS B 569      -0.866  26.946  19.540  1.00 84.04           C  
-ATOM   2949  C   LYS B 569      -1.012  26.931  21.059  1.00 84.04           C  
-ATOM   2950  CB  LYS B 569       0.011  25.779  19.086  1.00 84.04           C  
-ATOM   2951  O   LYS B 569      -2.030  26.477  21.585  1.00 84.04           O  
-ATOM   2952  CG  LYS B 569      -0.165  25.404  17.622  1.00 84.04           C  
-ATOM   2953  CD  LYS B 569       0.677  24.191  17.250  1.00 84.04           C  
-ATOM   2954  CE  LYS B 569       0.530  23.838  15.776  1.00 84.04           C  
-ATOM   2955  NZ  LYS B 569       1.401  22.687  15.392  1.00 84.04           N  
-ATOM   2956  N   ASN B 570       0.026  27.426  21.768  1.00 86.28           N  
-ATOM   2957  CA  ASN B 570      -0.008  27.502  23.225  1.00 86.28           C  
-ATOM   2958  C   ASN B 570      -1.102  28.447  23.712  1.00 86.28           C  
-ATOM   2959  CB  ASN B 570       1.353  27.937  23.772  1.00 86.28           C  
-ATOM   2960  O   ASN B 570      -1.779  28.164  24.702  1.00 86.28           O  
-ATOM   2961  CG  ASN B 570       2.394  26.838  23.691  1.00 86.28           C  
-ATOM   2962  ND2 ASN B 570       3.664  27.222  23.705  1.00 86.28           N  
-ATOM   2963  OD1 ASN B 570       2.058  25.653  23.616  1.00 86.28           O  
-ATOM   2964  N   GLN B 571      -1.276  29.562  23.044  1.00 89.81           N  
-ATOM   2965  CA  GLN B 571      -2.314  30.529  23.386  1.00 89.81           C  
-ATOM   2966  C   GLN B 571      -3.705  29.919  23.240  1.00 89.81           C  
-ATOM   2967  CB  GLN B 571      -2.194  31.778  22.512  1.00 89.81           C  
-ATOM   2968  O   GLN B 571      -4.580  30.147  24.077  1.00 89.81           O  
-ATOM   2969  CG  GLN B 571      -1.010  32.667  22.869  1.00 89.81           C  
-ATOM   2970  CD  GLN B 571      -0.868  33.857  21.938  1.00 89.81           C  
-ATOM   2971  NE2 GLN B 571       0.199  34.627  22.119  1.00 89.81           N  
-ATOM   2972  OE1 GLN B 571      -1.710  34.081  21.063  1.00 89.81           O  
-ATOM   2973  N   ILE B 572      -3.912  29.213  22.170  1.00 85.32           N  
-ATOM   2974  CA  ILE B 572      -5.185  28.551  21.906  1.00 85.32           C  
-ATOM   2975  C   ILE B 572      -5.463  27.515  22.993  1.00 85.32           C  
-ATOM   2976  CB  ILE B 572      -5.198  27.884  20.513  1.00 85.32           C  
-ATOM   2977  O   ILE B 572      -6.586  27.418  23.495  1.00 85.32           O  
-ATOM   2978  CG1 ILE B 572      -5.208  28.949  19.411  1.00 85.32           C  
-ATOM   2979  CG2 ILE B 572      -6.397  26.941  20.376  1.00 85.32           C  
-ATOM   2980  CD1 ILE B 572      -5.024  28.388  18.007  1.00 85.32           C  
-ATOM   2981  N   ARG B 573      -4.412  26.778  23.328  1.00 83.23           N  
-ATOM   2982  CA  ARG B 573      -4.542  25.775  24.380  1.00 83.23           C  
-ATOM   2983  C   ARG B 573      -4.961  26.416  25.699  1.00 83.23           C  
-ATOM   2984  CB  ARG B 573      -3.227  25.013  24.562  1.00 83.23           C  
-ATOM   2985  O   ARG B 573      -5.844  25.905  26.391  1.00 83.23           O  
-ATOM   2986  CG  ARG B 573      -3.320  23.848  25.534  1.00 83.23           C  
-ATOM   2987  CD  ARG B 573      -1.966  23.189  25.755  1.00 83.23           C  
-ATOM   2988  NE  ARG B 573      -1.351  22.785  24.493  1.00 83.23           N  
-ATOM   2989  NH1 ARG B 573       0.596  21.998  25.456  1.00 83.23           N  
-ATOM   2990  NH2 ARG B 573       0.314  21.901  23.183  1.00 83.23           N  
-ATOM   2991  CZ  ARG B 573      -0.148  22.229  24.380  1.00 83.23           C  
-ATOM   2992  N   ASP B 574      -4.321  27.512  26.068  1.00 86.88           N  
-ATOM   2993  CA  ASP B 574      -4.631  28.230  27.300  1.00 86.88           C  
-ATOM   2994  C   ASP B 574      -6.055  28.781  27.272  1.00 86.88           C  
-ATOM   2995  CB  ASP B 574      -3.632  29.368  27.524  1.00 86.88           C  
-ATOM   2996  O   ASP B 574      -6.767  28.726  28.276  1.00 86.88           O  
-ATOM   2997  CG  ASP B 574      -2.249  28.875  27.913  1.00 86.88           C  
-ATOM   2998  OD1 ASP B 574      -2.114  27.703  28.327  1.00 86.88           O  
-ATOM   2999  OD2 ASP B 574      -1.287  29.666  27.809  1.00 86.88           O  
-ATOM   3000  N   ALA B 575      -6.428  29.307  26.144  1.00 87.42           N  
-ATOM   3001  CA  ALA B 575      -7.779  29.837  25.979  1.00 87.42           C  
-ATOM   3002  C   ALA B 575      -8.823  28.735  26.132  1.00 87.42           C  
-ATOM   3003  CB  ALA B 575      -7.922  30.515  24.619  1.00 87.42           C  
-ATOM   3004  O   ALA B 575      -9.875  28.947  26.740  1.00 87.42           O  
-ATOM   3005  N   ARG B 576      -8.562  27.582  25.578  1.00 83.39           N  
-ATOM   3006  CA  ARG B 576      -9.457  26.434  25.683  1.00 83.39           C  
-ATOM   3007  C   ARG B 576      -9.605  25.986  27.133  1.00 83.39           C  
-ATOM   3008  CB  ARG B 576      -8.948  25.274  24.825  1.00 83.39           C  
-ATOM   3009  O   ARG B 576     -10.711  25.684  27.585  1.00 83.39           O  
-ATOM   3010  CG  ARG B 576      -9.179  25.462  23.334  1.00 83.39           C  
-ATOM   3011  CD  ARG B 576      -8.678  24.270  22.531  1.00 83.39           C  
-ATOM   3012  NE  ARG B 576      -9.014  24.395  21.116  1.00 83.39           N  
-ATOM   3013  NH1 ARG B 576      -7.862  22.501  20.463  1.00 83.39           N  
-ATOM   3014  NH2 ARG B 576      -8.982  23.760  18.909  1.00 83.39           N  
-ATOM   3015  CZ  ARG B 576      -8.618  23.552  20.166  1.00 83.39           C  
-ATOM   3016  N   LYS B 577      -8.458  25.956  27.830  1.00 84.03           N  
-ATOM   3017  CA  LYS B 577      -8.457  25.572  29.238  1.00 84.03           C  
-ATOM   3018  C   LYS B 577      -9.256  26.564  30.079  1.00 84.03           C  
-ATOM   3019  CB  LYS B 577      -7.026  25.471  29.767  1.00 84.03           C  
-ATOM   3020  O   LYS B 577      -9.971  26.168  31.003  1.00 84.03           O  
-ATOM   3021  CG  LYS B 577      -6.317  24.178  29.390  1.00 84.03           C  
-ATOM   3022  CD  LYS B 577      -4.936  24.092  30.027  1.00 84.03           C  
-ATOM   3023  CE  LYS B 577      -4.197  22.833  29.594  1.00 84.03           C  
-ATOM   3024  NZ  LYS B 577      -2.823  22.770  30.176  1.00 84.03           N  
-ATOM   3025  N   ALA B 578      -9.163  27.824  29.754  1.00 86.28           N  
-ATOM   3026  CA  ALA B 578      -9.836  28.884  30.501  1.00 86.28           C  
-ATOM   3027  C   ALA B 578     -11.351  28.784  30.348  1.00 86.28           C  
-ATOM   3028  CB  ALA B 578      -9.347  30.254  30.039  1.00 86.28           C  
-ATOM   3029  O   ALA B 578     -12.098  29.135  31.264  1.00 86.28           O  
-ATOM   3030  N   CYS B 579     -11.832  28.281  29.199  1.00 85.19           N  
-ATOM   3031  CA  CYS B 579     -13.257  28.222  28.890  1.00 85.19           C  
-ATOM   3032  C   CYS B 579     -13.848  26.878  29.300  1.00 85.19           C  
-ATOM   3033  CB  CYS B 579     -13.493  28.459  27.399  1.00 85.19           C  
-ATOM   3034  O   CYS B 579     -15.058  26.670  29.197  1.00 85.19           O  
-ATOM   3035  SG  CYS B 579     -13.030  30.115  26.844  1.00 85.19           S  
-ATOM   3036  N   ALA B 580     -12.992  25.895  29.753  1.00 83.70           N  
-ATOM   3037  CA  ALA B 580     -13.427  24.557  30.145  1.00 83.70           C  
-ATOM   3038  C   ALA B 580     -14.162  24.589  31.482  1.00 83.70           C  
-ATOM   3039  CB  ALA B 580     -12.233  23.610  30.221  1.00 83.70           C  
-ATOM   3040  O   ALA B 580     -13.564  24.888  32.519  1.00 83.70           O  
-ATOM   3041  N   ASP B 581     -15.455  24.466  31.580  1.00 86.86           N  
-ATOM   3042  CA  ASP B 581     -16.275  24.655  32.772  1.00 86.86           C  
-ATOM   3043  C   ASP B 581     -16.547  23.323  33.468  1.00 86.86           C  
-ATOM   3044  CB  ASP B 581     -17.596  25.339  32.412  1.00 86.86           C  
-ATOM   3045  O   ASP B 581     -16.854  23.291  34.661  1.00 86.86           O  
-ATOM   3046  CG  ASP B 581     -18.353  24.623  31.308  1.00 86.86           C  
-ATOM   3047  OD1 ASP B 581     -17.780  23.720  30.661  1.00 86.86           O  
-ATOM   3048  OD2 ASP B 581     -19.533  24.967  31.081  1.00 86.86           O  
-ATOM   3049  N   ALA B 582     -16.409  22.167  32.863  1.00 89.38           N  
-ATOM   3050  CA  ALA B 582     -16.656  20.853  33.452  1.00 89.38           C  
-ATOM   3051  C   ALA B 582     -16.005  19.749  32.624  1.00 89.38           C  
-ATOM   3052  CB  ALA B 582     -18.157  20.602  33.582  1.00 89.38           C  
-ATOM   3053  O   ALA B 582     -15.736  19.933  31.435  1.00 89.38           O  
-ATOM   3054  N   THR B 583     -15.676  18.641  33.240  1.00 90.86           N  
-ATOM   3055  CA  THR B 583     -15.204  17.454  32.535  1.00 90.86           C  
-ATOM   3056  C   THR B 583     -16.323  16.426  32.395  1.00 90.86           C  
-ATOM   3057  CB  THR B 583     -14.004  16.816  33.259  1.00 90.86           C  
-ATOM   3058  O   THR B 583     -17.317  16.481  33.122  1.00 90.86           O  
-ATOM   3059  CG2 THR B 583     -12.905  17.842  33.513  1.00 90.86           C  
-ATOM   3060  OG1 THR B 583     -14.441  16.279  34.514  1.00 90.86           O  
-ATOM   3061  N   LEU B 584     -16.234  15.614  31.367  1.00 91.85           N  
-ATOM   3062  CA  LEU B 584     -17.208  14.542  31.196  1.00 91.85           C  
-ATOM   3063  C   LEU B 584     -17.346  13.724  32.475  1.00 91.85           C  
-ATOM   3064  CB  LEU B 584     -16.803  13.630  30.034  1.00 91.85           C  
-ATOM   3065  O   LEU B 584     -18.454  13.330  32.848  1.00 91.85           O  
-ATOM   3066  CG  LEU B 584     -17.785  12.514  29.675  1.00 91.85           C  
-ATOM   3067  CD1 LEU B 584     -19.141  13.102  29.300  1.00 91.85           C  
-ATOM   3068  CD2 LEU B 584     -17.233  11.662  28.537  1.00 91.85           C  
-ATOM   3069  N   SER B 585     -16.261  13.529  33.206  1.00 91.58           N  
-ATOM   3070  CA  SER B 585     -16.263  12.788  34.463  1.00 91.58           C  
-ATOM   3071  C   SER B 585     -17.106  13.494  35.520  1.00 91.58           C  
-ATOM   3072  CB  SER B 585     -14.835  12.603  34.979  1.00 91.58           C  
-ATOM   3073  O   SER B 585     -17.857  12.849  36.254  1.00 91.58           O  
-ATOM   3074  OG  SER B 585     -14.830  11.881  36.199  1.00 91.58           O  
-ATOM   3075  N   GLN B 586     -16.995  14.823  35.582  1.00 93.00           N  
-ATOM   3076  CA  GLN B 586     -17.759  15.622  36.534  1.00 93.00           C  
-ATOM   3077  C   GLN B 586     -19.251  15.581  36.215  1.00 93.00           C  
-ATOM   3078  CB  GLN B 586     -17.263  17.068  36.542  1.00 93.00           C  
-ATOM   3079  O   GLN B 586     -20.080  15.448  37.117  1.00 93.00           O  
-ATOM   3080  CG  GLN B 586     -15.905  17.249  37.208  1.00 93.00           C  
-ATOM   3081  CD  GLN B 586     -15.311  18.624  36.965  1.00 93.00           C  
-ATOM   3082  NE2 GLN B 586     -14.399  19.038  37.838  1.00 93.00           N  
-ATOM   3083  OE1 GLN B 586     -15.668  19.308  36.001  1.00 93.00           O  
-ATOM   3084  N   ILE B 587     -19.573  15.600  34.935  1.00 92.59           N  
-ATOM   3085  CA  ILE B 587     -20.958  15.687  34.483  1.00 92.59           C  
-ATOM   3086  C   ILE B 587     -21.644  14.334  34.659  1.00 92.59           C  
-ATOM   3087  CB  ILE B 587     -21.043  16.143  33.009  1.00 92.59           C  
-ATOM   3088  O   ILE B 587     -22.842  14.271  34.941  1.00 92.59           O  
-ATOM   3089  CG1 ILE B 587     -20.553  17.589  32.868  1.00 92.59           C  
-ATOM   3090  CG2 ILE B 587     -22.473  15.996  32.480  1.00 92.59           C  
-ATOM   3091  CD1 ILE B 587     -20.431  18.063  31.426  1.00 92.59           C  
-ATOM   3092  N   THR B 588     -20.875  13.256  34.594  1.00 93.90           N  
-ATOM   3093  CA  THR B 588     -21.466  11.922  34.602  1.00 93.90           C  
-ATOM   3094  C   THR B 588     -21.263  11.248  35.956  1.00 93.90           C  
-ATOM   3095  CB  THR B 588     -20.868  11.040  33.491  1.00 93.90           C  
-ATOM   3096  O   THR B 588     -21.451  10.037  36.087  1.00 93.90           O  
-ATOM   3097  CG2 THR B 588     -21.158  11.621  32.111  1.00 93.90           C  
-ATOM   3098  OG1 THR B 588     -19.449  10.951  33.671  1.00 93.90           O  
-ATOM   3099  N   ASN B 589     -20.907  12.050  37.020  1.00 93.07           N  
-ATOM   3100  CA  ASN B 589     -20.586  11.515  38.338  1.00 93.07           C  
-ATOM   3101  C   ASN B 589     -21.762  10.747  38.934  1.00 93.07           C  
-ATOM   3102  CB  ASN B 589     -20.151  12.637  39.282  1.00 93.07           C  
-ATOM   3103  O   ASN B 589     -21.568   9.770  39.659  1.00 93.07           O  
-ATOM   3104  CG  ASN B 589     -19.573  12.116  40.583  1.00 93.07           C  
-ATOM   3105  ND2 ASN B 589     -19.753  12.873  41.658  1.00 93.07           N  
-ATOM   3106  OD1 ASN B 589     -18.968  11.041  40.621  1.00 93.07           O  
-ATOM   3107  N   ASN B 590     -23.012  11.145  38.602  1.00 94.32           N  
-ATOM   3108  CA  ASN B 590     -24.209  10.567  39.203  1.00 94.32           C  
-ATOM   3109  C   ASN B 590     -24.763   9.423  38.358  1.00 94.32           C  
-ATOM   3110  CB  ASN B 590     -25.279  11.642  39.409  1.00 94.32           C  
-ATOM   3111  O   ASN B 590     -25.782   8.825  38.708  1.00 94.32           O  
-ATOM   3112  CG  ASN B 590     -24.880  12.671  40.448  1.00 94.32           C  
-ATOM   3113  ND2 ASN B 590     -25.363  13.897  40.284  1.00 94.32           N  
-ATOM   3114  OD1 ASN B 590     -24.143  12.367  41.390  1.00 94.32           O  
-ATOM   3115  N   ILE B 591     -24.071   9.092  37.260  1.00 94.49           N  
-ATOM   3116  CA  ILE B 591     -24.469   7.994  36.386  1.00 94.49           C  
-ATOM   3117  C   ILE B 591     -23.747   6.714  36.803  1.00 94.49           C  
-ATOM   3118  CB  ILE B 591     -24.175   8.316  34.904  1.00 94.49           C  
-ATOM   3119  O   ILE B 591     -22.530   6.717  37.001  1.00 94.49           O  
-ATOM   3120  CG1 ILE B 591     -24.964   9.553  34.459  1.00 94.49           C  
-ATOM   3121  CG2 ILE B 591     -24.498   7.112  34.014  1.00 94.49           C  
-ATOM   3122  CD1 ILE B 591     -24.621  10.036  33.057  1.00 94.49           C  
-ATOM   3123  N   ASP B 592     -24.488   5.681  36.997  1.00 94.34           N  
-ATOM   3124  CA  ASP B 592     -23.902   4.400  37.379  1.00 94.34           C  
-ATOM   3125  C   ASP B 592     -23.029   3.840  36.258  1.00 94.34           C  
-ATOM   3126  CB  ASP B 592     -24.996   3.396  37.745  1.00 94.34           C  
-ATOM   3127  O   ASP B 592     -23.395   3.914  35.083  1.00 94.34           O  
-ATOM   3128  CG  ASP B 592     -25.711   3.744  39.039  1.00 94.34           C  
-ATOM   3129  OD1 ASP B 592     -25.078   4.321  39.950  1.00 94.34           O  
-ATOM   3130  OD2 ASP B 592     -26.917   3.436  39.151  1.00 94.34           O  
-ATOM   3131  N   PRO B 593     -21.791   3.303  36.681  1.00 93.33           N  
-ATOM   3132  CA  PRO B 593     -20.962   2.656  35.662  1.00 93.33           C  
-ATOM   3133  C   PRO B 593     -21.626   1.420  35.059  1.00 93.33           C  
-ATOM   3134  CB  PRO B 593     -19.694   2.275  36.429  1.00 93.33           C  
-ATOM   3135  O   PRO B 593     -22.461   0.784  35.708  1.00 93.33           O  
-ATOM   3136  CG  PRO B 593     -20.123   2.187  37.858  1.00 93.33           C  
-ATOM   3137  CD  PRO B 593     -21.302   3.096  38.058  1.00 93.33           C  
-ATOM   3138  N   VAL B 594     -21.313   1.212  33.818  1.00 93.82           N  
-ATOM   3139  CA  VAL B 594     -21.785  -0.008  33.172  1.00 93.82           C  
-ATOM   3140  C   VAL B 594     -21.129  -1.224  33.822  1.00 93.82           C  
-ATOM   3141  CB  VAL B 594     -21.496   0.006  31.654  1.00 93.82           C  
-ATOM   3142  O   VAL B 594     -19.916  -1.237  34.047  1.00 93.82           O  
-ATOM   3143  CG1 VAL B 594     -21.885  -1.327  31.018  1.00 93.82           C  
-ATOM   3144  CG2 VAL B 594     -22.238   1.159  30.981  1.00 93.82           C  
-ATOM   3145  N   GLY B 595     -21.889  -2.138  34.406  1.00 92.11           N  
-ATOM   3146  CA  GLY B 595     -21.344  -3.374  34.944  1.00 92.11           C  
-ATOM   3147  C   GLY B 595     -20.598  -4.196  33.910  1.00 92.11           C  
-ATOM   3148  O   GLY B 595     -20.414  -3.756  32.774  1.00 92.11           O  
-ATOM   3149  N   ARG B 596     -20.130  -5.374  34.315  1.00 92.63           N  
-ATOM   3150  CA  ARG B 596     -19.424  -6.302  33.438  1.00 92.63           C  
-ATOM   3151  C   ARG B 596     -20.329  -6.785  32.310  1.00 92.63           C  
-ATOM   3152  CB  ARG B 596     -18.894  -7.497  34.233  1.00 92.63           C  
-ATOM   3153  O   ARG B 596     -21.445  -7.247  32.557  1.00 92.63           O  
-ATOM   3154  CG  ARG B 596     -17.980  -8.412  33.434  1.00 92.63           C  
-ATOM   3155  CD  ARG B 596     -17.404  -9.527  34.296  1.00 92.63           C  
-ATOM   3156  NE  ARG B 596     -16.517 -10.397  33.530  1.00 92.63           N  
-ATOM   3157  NH1 ARG B 596     -16.092 -11.848  35.277  1.00 92.63           N  
-ATOM   3158  NH2 ARG B 596     -15.126 -12.200  33.228  1.00 92.63           N  
-ATOM   3159  CZ  ARG B 596     -15.914 -11.480  34.013  1.00 92.63           C  
-ATOM   3160  N   ILE B 597     -19.852  -6.515  31.048  1.00 91.98           N  
-ATOM   3161  CA  ILE B 597     -20.574  -6.937  29.853  1.00 91.98           C  
-ATOM   3162  C   ILE B 597     -19.949  -8.215  29.297  1.00 91.98           C  
-ATOM   3163  CB  ILE B 597     -20.579  -5.830  28.775  1.00 91.98           C  
-ATOM   3164  O   ILE B 597     -18.740  -8.269  29.057  1.00 91.98           O  
-ATOM   3165  CG1 ILE B 597     -21.318  -4.589  29.287  1.00 91.98           C  
-ATOM   3166  CG2 ILE B 597     -21.206  -6.344  27.475  1.00 91.98           C  
-ATOM   3167  CD1 ILE B 597     -21.338  -3.429  28.301  1.00 91.98           C  
-ATOM   3168  N   GLN B 598     -20.750  -9.236  29.231  1.00 89.50           N  
-ATOM   3169  CA  GLN B 598     -20.305 -10.483  28.618  1.00 89.50           C  
-ATOM   3170  C   GLN B 598     -21.078 -10.772  27.334  1.00 89.50           C  
-ATOM   3171  CB  GLN B 598     -20.460 -11.648  29.597  1.00 89.50           C  
-ATOM   3172  O   GLN B 598     -22.283 -11.031  27.374  1.00 89.50           O  
-ATOM   3173  CG  GLN B 598     -19.494 -11.595  30.774  1.00 89.50           C  
-ATOM   3174  CD  GLN B 598     -19.596 -12.812  31.673  1.00 89.50           C  
-ATOM   3175  NE2 GLN B 598     -18.691 -12.913  32.640  1.00 89.50           N  
-ATOM   3176  OE1 GLN B 598     -20.482 -13.656  31.500  1.00 89.50           O  
-ATOM   3177  N   MET B 599     -20.432 -10.564  26.212  1.00 92.40           N  
-ATOM   3178  CA  MET B 599     -20.999 -10.925  24.916  1.00 92.40           C  
-ATOM   3179  C   MET B 599     -20.473 -12.279  24.450  1.00 92.40           C  
-ATOM   3180  CB  MET B 599     -20.681  -9.854  23.872  1.00 92.40           C  
-ATOM   3181  O   MET B 599     -19.298 -12.593  24.643  1.00 92.40           O  
-ATOM   3182  CG  MET B 599     -21.327  -8.508  24.158  1.00 92.40           C  
-ATOM   3183  SD  MET B 599     -20.988  -7.272  22.845  1.00 92.40           S  
-ATOM   3184  CE  MET B 599     -21.882  -5.841  23.514  1.00 92.40           C  
-ATOM   3185  N   ARG B 600     -21.353 -13.117  23.956  1.00 92.61           N  
-ATOM   3186  CA  ARG B 600     -20.941 -14.429  23.466  1.00 92.61           C  
-ATOM   3187  C   ARG B 600     -20.870 -14.447  21.943  1.00 92.61           C  
-ATOM   3188  CB  ARG B 600     -21.902 -15.513  23.959  1.00 92.61           C  
-ATOM   3189  O   ARG B 600     -21.591 -13.704  21.274  1.00 92.61           O  
-ATOM   3190  CG  ARG B 600     -21.959 -15.645  25.472  1.00 92.61           C  
-ATOM   3191  CD  ARG B 600     -22.910 -16.752  25.907  1.00 92.61           C  
-ATOM   3192  NE  ARG B 600     -22.941 -16.896  27.359  1.00 92.61           N  
-ATOM   3193  NH1 ARG B 600     -24.360 -18.719  27.355  1.00 92.61           N  
-ATOM   3194  NH2 ARG B 600     -23.587 -17.867  29.338  1.00 92.61           N  
-ATOM   3195  CZ  ARG B 600     -23.629 -17.827  28.014  1.00 92.61           C  
-ATOM   3196  N   THR B 601     -19.951 -15.250  21.524  1.00 93.89           N  
-ATOM   3197  CA  THR B 601     -19.884 -15.481  20.085  1.00 93.89           C  
-ATOM   3198  C   THR B 601     -21.067 -16.323  19.616  1.00 93.89           C  
-ATOM   3199  CB  THR B 601     -18.568 -16.177  19.692  1.00 93.89           C  
-ATOM   3200  O   THR B 601     -21.192 -17.491  19.990  1.00 93.89           O  
-ATOM   3201  CG2 THR B 601     -18.442 -16.301  18.177  1.00 93.89           C  
-ATOM   3202  OG1 THR B 601     -17.463 -15.414  20.191  1.00 93.89           O  
-ATOM   3203  N   ARG B 602     -21.932 -15.743  18.758  1.00 93.26           N  
-ATOM   3204  CA  ARG B 602     -23.126 -16.434  18.283  1.00 93.26           C  
-ATOM   3205  C   ARG B 602     -22.838 -17.207  17.000  1.00 93.26           C  
-ATOM   3206  CB  ARG B 602     -24.266 -15.439  18.050  1.00 93.26           C  
-ATOM   3207  O   ARG B 602     -23.347 -18.313  16.808  1.00 93.26           O  
-ATOM   3208  CG  ARG B 602     -24.873 -14.888  19.331  1.00 93.26           C  
-ATOM   3209  CD  ARG B 602     -25.693 -15.940  20.064  1.00 93.26           C  
-ATOM   3210  NE  ARG B 602     -26.422 -15.366  21.192  1.00 93.26           N  
-ATOM   3211  NH1 ARG B 602     -27.285 -17.379  21.926  1.00 93.26           N  
-ATOM   3212  NH2 ARG B 602     -27.782 -15.438  23.041  1.00 93.26           N  
-ATOM   3213  CZ  ARG B 602     -27.161 -16.062  22.050  1.00 93.26           C  
-ATOM   3214  N   ARG B 603     -21.977 -16.591  16.209  1.00 94.67           N  
-ATOM   3215  CA  ARG B 603     -21.644 -17.194  14.922  1.00 94.67           C  
-ATOM   3216  C   ARG B 603     -20.197 -16.905  14.540  1.00 94.67           C  
-ATOM   3217  CB  ARG B 603     -22.587 -16.686  13.829  1.00 94.67           C  
-ATOM   3218  O   ARG B 603     -19.653 -15.858  14.897  1.00 94.67           O  
-ATOM   3219  CG  ARG B 603     -24.049 -17.024  14.070  1.00 94.67           C  
-ATOM   3220  CD  ARG B 603     -24.926 -16.603  12.899  1.00 94.67           C  
-ATOM   3221  NE  ARG B 603     -26.343 -16.802  13.188  1.00 94.67           N  
-ATOM   3222  NH1 ARG B 603     -26.484 -18.850  12.127  1.00 94.67           N  
-ATOM   3223  NH2 ARG B 603     -28.335 -17.944  13.131  1.00 94.67           N  
-ATOM   3224  CZ  ARG B 603     -27.051 -17.865  12.815  1.00 94.67           C  
-ATOM   3225  N   THR B 604     -19.675 -17.916  13.851  1.00 96.07           N  
-ATOM   3226  CA  THR B 604     -18.380 -17.742  13.204  1.00 96.07           C  
-ATOM   3227  C   THR B 604     -18.509 -17.882  11.690  1.00 96.07           C  
-ATOM   3228  CB  THR B 604     -17.351 -18.760  13.730  1.00 96.07           C  
-ATOM   3229  O   THR B 604     -18.966 -18.914  11.193  1.00 96.07           O  
-ATOM   3230  CG2 THR B 604     -15.993 -18.564  13.063  1.00 96.07           C  
-ATOM   3231  OG1 THR B 604     -17.204 -18.593  15.146  1.00 96.07           O  
-ATOM   3232  N   LEU B 605     -18.188 -16.755  11.025  1.00 96.54           N  
-ATOM   3233  CA  LEU B 605     -18.244 -16.787   9.567  1.00 96.54           C  
-ATOM   3234  C   LEU B 605     -16.923 -17.277   8.983  1.00 96.54           C  
-ATOM   3235  CB  LEU B 605     -18.578 -15.400   9.013  1.00 96.54           C  
-ATOM   3236  O   LEU B 605     -15.900 -16.598   9.095  1.00 96.54           O  
-ATOM   3237  CG  LEU B 605     -19.809 -14.711   9.605  1.00 96.54           C  
-ATOM   3238  CD1 LEU B 605     -20.041 -13.366   8.926  1.00 96.54           C  
-ATOM   3239  CD2 LEU B 605     -21.038 -15.604   9.471  1.00 96.54           C  
-ATOM   3240  N   ARG B 606     -17.013 -18.538   8.306  1.00 95.41           N  
-ATOM   3241  CA  ARG B 606     -15.829 -19.189   7.756  1.00 95.41           C  
-ATOM   3242  C   ARG B 606     -15.844 -19.155   6.231  1.00 95.41           C  
-ATOM   3243  CB  ARG B 606     -15.733 -20.635   8.246  1.00 95.41           C  
-ATOM   3244  O   ARG B 606     -16.864 -19.456   5.608  1.00 95.41           O  
-ATOM   3245  CG  ARG B 606     -15.624 -20.767   9.757  1.00 95.41           C  
-ATOM   3246  CD  ARG B 606     -15.613 -22.225  10.196  1.00 95.41           C  
-ATOM   3247  NE  ARG B 606     -15.617 -22.349  11.651  1.00 95.41           N  
-ATOM   3248  NH1 ARG B 606     -13.320 -22.506  11.850  1.00 95.41           N  
-ATOM   3249  NH2 ARG B 606     -14.646 -22.585  13.719  1.00 95.41           N  
-ATOM   3250  CZ  ARG B 606     -14.528 -22.480  12.403  1.00 95.41           C  
-ATOM   3251  N   GLY B 607     -14.752 -18.780   5.692  1.00 93.04           N  
-ATOM   3252  CA  GLY B 607     -14.650 -18.744   4.242  1.00 93.04           C  
-ATOM   3253  C   GLY B 607     -13.342 -18.153   3.751  1.00 93.04           C  
-ATOM   3254  O   GLY B 607     -12.712 -18.696   2.840  1.00 93.04           O  
-ATOM   3255  N   HIS B 608     -12.888 -17.149   4.343  1.00 96.05           N  
-ATOM   3256  CA  HIS B 608     -11.614 -16.555   3.952  1.00 96.05           C  
-ATOM   3257  C   HIS B 608     -10.449 -17.479   4.286  1.00 96.05           C  
-ATOM   3258  CB  HIS B 608     -11.423 -15.200   4.637  1.00 96.05           C  
-ATOM   3259  O   HIS B 608     -10.488 -18.197   5.288  1.00 96.05           O  
-ATOM   3260  CG  HIS B 608     -12.186 -14.088   3.990  1.00 96.05           C  
-ATOM   3261  CD2 HIS B 608     -13.123 -13.247   4.486  1.00 96.05           C  
-ATOM   3262  ND1 HIS B 608     -12.017 -13.741   2.667  1.00 96.05           N  
-ATOM   3263  CE1 HIS B 608     -12.819 -12.731   2.377  1.00 96.05           C  
-ATOM   3264  NE2 HIS B 608     -13.502 -12.412   3.463  1.00 96.05           N  
-ATOM   3265  N   LEU B 609      -9.366 -17.421   3.475  1.00 91.52           N  
-ATOM   3266  CA  LEU B 609      -8.222 -18.316   3.603  1.00 91.52           C  
-ATOM   3267  C   LEU B 609      -6.995 -17.562   4.106  1.00 91.52           C  
-ATOM   3268  CB  LEU B 609      -7.910 -18.983   2.260  1.00 91.52           C  
-ATOM   3269  O   LEU B 609      -5.911 -18.139   4.222  1.00 91.52           O  
-ATOM   3270  CG  LEU B 609      -9.035 -19.812   1.638  1.00 91.52           C  
-ATOM   3271  CD1 LEU B 609      -8.614 -20.330   0.267  1.00 91.52           C  
-ATOM   3272  CD2 LEU B 609      -9.420 -20.966   2.557  1.00 91.52           C  
-ATOM   3273  N   ALA B 610      -7.141 -16.265   4.227  1.00 91.32           N  
-ATOM   3274  CA  ALA B 610      -6.045 -15.420   4.694  1.00 91.32           C  
-ATOM   3275  C   ALA B 610      -6.561 -14.298   5.590  1.00 91.32           C  
-ATOM   3276  CB  ALA B 610      -5.278 -14.839   3.508  1.00 91.32           C  
-ATOM   3277  O   ALA B 610      -7.703 -14.340   6.052  1.00 91.32           O  
-ATOM   3278  N   LYS B 611      -5.746 -13.349   5.987  1.00 94.90           N  
-ATOM   3279  CA  LYS B 611      -6.034 -12.263   6.920  1.00 94.90           C  
-ATOM   3280  C   LYS B 611      -7.194 -11.405   6.423  1.00 94.90           C  
-ATOM   3281  CB  LYS B 611      -4.794 -11.395   7.133  1.00 94.90           C  
-ATOM   3282  O   LYS B 611      -7.250 -11.050   5.244  1.00 94.90           O  
-ATOM   3283  CG  LYS B 611      -3.622 -12.133   7.764  1.00 94.90           C  
-ATOM   3284  CD  LYS B 611      -2.372 -11.263   7.809  1.00 94.90           C  
-ATOM   3285  CE  LYS B 611      -1.201 -11.999   8.445  1.00 94.90           C  
-ATOM   3286  NZ  LYS B 611       0.050 -11.183   8.411  1.00 94.90           N  
-ATOM   3287  N   ILE B 612      -8.062 -11.101   7.305  1.00 97.74           N  
-ATOM   3288  CA  ILE B 612      -9.166 -10.191   7.019  1.00 97.74           C  
-ATOM   3289  C   ILE B 612      -8.781  -8.770   7.424  1.00 97.74           C  
-ATOM   3290  CB  ILE B 612     -10.458 -10.624   7.747  1.00 97.74           C  
-ATOM   3291  O   ILE B 612      -8.421  -8.522   8.578  1.00 97.74           O  
-ATOM   3292  CG1 ILE B 612     -10.890 -12.020   7.283  1.00 97.74           C  
-ATOM   3293  CG2 ILE B 612     -11.575  -9.602   7.518  1.00 97.74           C  
-ATOM   3294  CD1 ILE B 612     -12.008 -12.631   8.117  1.00 97.74           C  
-ATOM   3295  N   TYR B 613      -8.975  -7.823   6.493  1.00 96.11           N  
-ATOM   3296  CA  TYR B 613      -8.488  -6.472   6.743  1.00 96.11           C  
-ATOM   3297  C   TYR B 613      -9.643  -5.517   7.018  1.00 96.11           C  
-ATOM   3298  CB  TYR B 613      -7.667  -5.967   5.552  1.00 96.11           C  
-ATOM   3299  O   TYR B 613      -9.483  -4.531   7.740  1.00 96.11           O  
-ATOM   3300  CG  TYR B 613      -6.209  -6.354   5.612  1.00 96.11           C  
-ATOM   3301  CD1 TYR B 613      -5.285  -5.561   6.288  1.00 96.11           C  
-ATOM   3302  CD2 TYR B 613      -5.753  -7.513   4.993  1.00 96.11           C  
-ATOM   3303  CE1 TYR B 613      -3.940  -5.913   6.345  1.00 96.11           C  
-ATOM   3304  CE2 TYR B 613      -4.410  -7.874   5.043  1.00 96.11           C  
-ATOM   3305  OH  TYR B 613      -2.183  -7.422   5.773  1.00 96.11           O  
-ATOM   3306  CZ  TYR B 613      -3.513  -7.069   5.720  1.00 96.11           C  
-ATOM   3307  N   ALA B 614     -10.767  -5.787   6.394  1.00 97.71           N  
-ATOM   3308  CA  ALA B 614     -11.871  -4.847   6.567  1.00 97.71           C  
-ATOM   3309  C   ALA B 614     -13.218  -5.553   6.436  1.00 97.71           C  
-ATOM   3310  CB  ALA B 614     -11.768  -3.712   5.552  1.00 97.71           C  
-ATOM   3311  O   ALA B 614     -13.331  -6.564   5.738  1.00 97.71           O  
-ATOM   3312  N   MET B 615     -14.171  -5.000   7.106  1.00 97.73           N  
-ATOM   3313  CA  MET B 615     -15.556  -5.448   6.991  1.00 97.73           C  
-ATOM   3314  C   MET B 615     -16.520  -4.271   7.104  1.00 97.73           C  
-ATOM   3315  CB  MET B 615     -15.876  -6.490   8.064  1.00 97.73           C  
-ATOM   3316  O   MET B 615     -16.180  -3.238   7.685  1.00 97.73           O  
-ATOM   3317  CG  MET B 615     -15.863  -5.936   9.480  1.00 97.73           C  
-ATOM   3318  SD  MET B 615     -17.501  -5.292   9.998  1.00 97.73           S  
-ATOM   3319  CE  MET B 615     -18.547  -6.720   9.598  1.00 97.73           C  
-ATOM   3320  N   HIS B 616     -17.651  -4.389   6.478  1.00 98.02           N  
-ATOM   3321  CA  HIS B 616     -18.669  -3.347   6.554  1.00 98.02           C  
-ATOM   3322  C   HIS B 616     -20.072  -3.940   6.485  1.00 98.02           C  
-ATOM   3323  CB  HIS B 616     -18.474  -2.326   5.432  1.00 98.02           C  
-ATOM   3324  O   HIS B 616     -20.346  -4.799   5.644  1.00 98.02           O  
-ATOM   3325  CG  HIS B 616     -19.297  -1.088   5.597  1.00 98.02           C  
-ATOM   3326  CD2 HIS B 616     -19.181  -0.052   6.461  1.00 98.02           C  
-ATOM   3327  ND1 HIS B 616     -20.397  -0.815   4.813  1.00 98.02           N  
-ATOM   3328  CE1 HIS B 616     -20.922   0.339   5.187  1.00 98.02           C  
-ATOM   3329  NE2 HIS B 616     -20.203   0.823   6.185  1.00 98.02           N  
-ATOM   3330  N   TRP B 617     -20.928  -3.473   7.461  1.00 97.48           N  
-ATOM   3331  CA  TRP B 617     -22.314  -3.929   7.460  1.00 97.48           C  
-ATOM   3332  C   TRP B 617     -23.111  -3.247   6.354  1.00 97.48           C  
-ATOM   3333  CB  TRP B 617     -22.969  -3.662   8.818  1.00 97.48           C  
-ATOM   3334  O   TRP B 617     -22.903  -2.065   6.069  1.00 97.48           O  
-ATOM   3335  CG  TRP B 617     -22.532  -4.604   9.901  1.00 97.48           C  
-ATOM   3336  CD1 TRP B 617     -21.649  -4.344  10.911  1.00 97.48           C  
-ATOM   3337  CD2 TRP B 617     -22.956  -5.959  10.076  1.00 97.48           C  
-ATOM   3338  CE2 TRP B 617     -22.289  -6.461  11.216  1.00 97.48           C  
-ATOM   3339  CE3 TRP B 617     -23.837  -6.798   9.380  1.00 97.48           C  
-ATOM   3340  NE1 TRP B 617     -21.499  -5.457  11.706  1.00 97.48           N  
-ATOM   3341  CH2 TRP B 617     -23.343  -8.567  10.976  1.00 97.48           C  
-ATOM   3342  CZ2 TRP B 617     -22.477  -7.767  11.675  1.00 97.48           C  
-ATOM   3343  CZ3 TRP B 617     -24.022  -8.097   9.839  1.00 97.48           C  
-ATOM   3344  N   GLY B 618     -24.018  -3.957   5.745  1.00 96.01           N  
-ATOM   3345  CA  GLY B 618     -25.049  -3.330   4.933  1.00 96.01           C  
-ATOM   3346  C   GLY B 618     -26.103  -2.614   5.756  1.00 96.01           C  
-ATOM   3347  O   GLY B 618     -26.200  -2.822   6.967  1.00 96.01           O  
-ATOM   3348  N   THR B 619     -26.935  -1.757   5.158  1.00 93.50           N  
-ATOM   3349  CA  THR B 619     -27.930  -0.975   5.884  1.00 93.50           C  
-ATOM   3350  C   THR B 619     -29.100  -1.855   6.315  1.00 93.50           C  
-ATOM   3351  CB  THR B 619     -28.452   0.196   5.031  1.00 93.50           C  
-ATOM   3352  O   THR B 619     -29.910  -1.454   7.153  1.00 93.50           O  
-ATOM   3353  CG2 THR B 619     -27.357   1.229   4.787  1.00 93.50           C  
-ATOM   3354  OG1 THR B 619     -28.908  -0.307   3.769  1.00 93.50           O  
-ATOM   3355  N   ASP B 620     -29.129  -3.114   5.856  1.00 93.80           N  
-ATOM   3356  CA  ASP B 620     -30.222  -4.034   6.158  1.00 93.80           C  
-ATOM   3357  C   ASP B 620     -29.956  -4.794   7.455  1.00 93.80           C  
-ATOM   3358  CB  ASP B 620     -30.430  -5.018   5.005  1.00 93.80           C  
-ATOM   3359  O   ASP B 620     -30.721  -5.688   7.825  1.00 93.80           O  
-ATOM   3360  CG  ASP B 620     -29.203  -5.866   4.720  1.00 93.80           C  
-ATOM   3361  OD1 ASP B 620     -28.163  -5.677   5.388  1.00 93.80           O  
-ATOM   3362  OD2 ASP B 620     -29.276  -6.729   3.819  1.00 93.80           O  
-ATOM   3363  N   SER B 621     -28.890  -4.514   8.198  1.00 93.72           N  
-ATOM   3364  CA  SER B 621     -28.478  -5.109   9.466  1.00 93.72           C  
-ATOM   3365  C   SER B 621     -28.370  -6.626   9.355  1.00 93.72           C  
-ATOM   3366  CB  SER B 621     -29.463  -4.739  10.576  1.00 93.72           C  
-ATOM   3367  O   SER B 621     -28.448  -7.334  10.361  1.00 93.72           O  
-ATOM   3368  OG  SER B 621     -29.479  -3.338  10.788  1.00 93.72           O  
-ATOM   3369  N   ARG B 622     -28.233  -7.094   8.144  1.00 94.84           N  
-ATOM   3370  CA  ARG B 622     -28.170  -8.528   7.883  1.00 94.84           C  
-ATOM   3371  C   ARG B 622     -26.922  -8.884   7.081  1.00 94.84           C  
-ATOM   3372  CB  ARG B 622     -29.422  -8.995   7.138  1.00 94.84           C  
-ATOM   3373  O   ARG B 622     -26.110  -9.703   7.517  1.00 94.84           O  
-ATOM   3374  CG  ARG B 622     -29.411 -10.473   6.781  1.00 94.84           C  
-ATOM   3375  CD  ARG B 622     -30.707 -10.899   6.105  1.00 94.84           C  
-ATOM   3376  NE  ARG B 622     -30.642 -12.282   5.639  1.00 94.84           N  
-ATOM   3377  NH1 ARG B 622     -32.842 -12.366   4.938  1.00 94.84           N  
-ATOM   3378  NH2 ARG B 622     -31.489 -14.202   4.707  1.00 94.84           N  
-ATOM   3379  CZ  ARG B 622     -31.658 -12.947   5.096  1.00 94.84           C  
-ATOM   3380  N   LEU B 623     -26.696  -8.264   5.980  1.00 96.57           N  
-ATOM   3381  CA  LEU B 623     -25.584  -8.570   5.086  1.00 96.57           C  
-ATOM   3382  C   LEU B 623     -24.327  -7.814   5.502  1.00 96.57           C  
-ATOM   3383  CB  LEU B 623     -25.948  -8.221   3.640  1.00 96.57           C  
-ATOM   3384  O   LEU B 623     -24.411  -6.688   6.000  1.00 96.57           O  
-ATOM   3385  CG  LEU B 623     -27.117  -8.995   3.029  1.00 96.57           C  
-ATOM   3386  CD1 LEU B 623     -27.402  -8.498   1.616  1.00 96.57           C  
-ATOM   3387  CD2 LEU B 623     -26.825 -10.492   3.026  1.00 96.57           C  
-ATOM   3388  N   LEU B 624     -23.279  -8.450   5.338  1.00 96.86           N  
-ATOM   3389  CA  LEU B 624     -21.983  -7.849   5.634  1.00 96.86           C  
-ATOM   3390  C   LEU B 624     -20.958  -8.213   4.565  1.00 96.86           C  
-ATOM   3391  CB  LEU B 624     -21.484  -8.299   7.010  1.00 96.86           C  
-ATOM   3392  O   LEU B 624     -21.007  -9.308   3.999  1.00 96.86           O  
-ATOM   3393  CG  LEU B 624     -21.082  -9.769   7.137  1.00 96.86           C  
-ATOM   3394  CD1 LEU B 624     -19.598  -9.941   6.832  1.00 96.86           C  
-ATOM   3395  CD2 LEU B 624     -21.412 -10.295   8.530  1.00 96.86           C  
-ATOM   3396  N   VAL B 625     -20.099  -7.287   4.210  1.00 98.07           N  
-ATOM   3397  CA  VAL B 625     -19.019  -7.545   3.263  1.00 98.07           C  
-ATOM   3398  C   VAL B 625     -17.680  -7.559   3.998  1.00 98.07           C  
-ATOM   3399  CB  VAL B 625     -18.994  -6.494   2.130  1.00 98.07           C  
-ATOM   3400  O   VAL B 625     -17.471  -6.785   4.935  1.00 98.07           O  
-ATOM   3401  CG1 VAL B 625     -18.771  -5.093   2.698  1.00 98.07           C  
-ATOM   3402  CG2 VAL B 625     -17.912  -6.838   1.108  1.00 98.07           C  
-ATOM   3403  N   SER B 626     -16.828  -8.525   3.651  1.00 98.37           N  
-ATOM   3404  CA  SER B 626     -15.483  -8.614   4.209  1.00 98.37           C  
-ATOM   3405  C   SER B 626     -14.429  -8.662   3.108  1.00 98.37           C  
-ATOM   3406  CB  SER B 626     -15.354  -9.847   5.104  1.00 98.37           C  
-ATOM   3407  O   SER B 626     -14.678  -9.200   2.027  1.00 98.37           O  
-ATOM   3408  OG  SER B 626     -15.554 -11.034   4.355  1.00 98.37           O  
-ATOM   3409  N   ALA B 627     -13.297  -8.028   3.350  1.00 97.73           N  
-ATOM   3410  CA  ALA B 627     -12.163  -8.001   2.429  1.00 97.73           C  
-ATOM   3411  C   ALA B 627     -10.953  -8.712   3.028  1.00 97.73           C  
-ATOM   3412  CB  ALA B 627     -11.806  -6.562   2.066  1.00 97.73           C  
-ATOM   3413  O   ALA B 627     -10.541  -8.410   4.150  1.00 97.73           O  
-ATOM   3414  N   SER B 628     -10.343  -9.584   2.246  1.00 96.49           N  
-ATOM   3415  CA  SER B 628      -9.274 -10.415   2.790  1.00 96.49           C  
-ATOM   3416  C   SER B 628      -8.078 -10.464   1.846  1.00 96.49           C  
-ATOM   3417  CB  SER B 628      -9.781 -11.833   3.058  1.00 96.49           C  
-ATOM   3418  O   SER B 628      -8.220 -10.236   0.643  1.00 96.49           O  
-ATOM   3419  OG  SER B 628      -8.708 -12.694   3.401  1.00 96.49           O  
-ATOM   3420  N   GLN B 629      -6.960 -10.795   2.392  1.00 91.34           N  
-ATOM   3421  CA  GLN B 629      -5.719 -10.951   1.641  1.00 91.34           C  
-ATOM   3422  C   GLN B 629      -5.748 -12.215   0.787  1.00 91.34           C  
-ATOM   3423  CB  GLN B 629      -4.519 -10.985   2.588  1.00 91.34           C  
-ATOM   3424  O   GLN B 629      -4.792 -12.505   0.065  1.00 91.34           O  
-ATOM   3425  CG  GLN B 629      -3.183 -10.745   1.898  1.00 91.34           C  
-ATOM   3426  CD  GLN B 629      -2.024 -10.667   2.873  1.00 91.34           C  
-ATOM   3427  NE2 GLN B 629      -0.874 -10.208   2.392  1.00 91.34           N  
-ATOM   3428  OE1 GLN B 629      -2.161 -11.015   4.050  1.00 91.34           O  
-ATOM   3429  N   ASP B 630      -6.770 -12.890   0.954  1.00 90.02           N  
-ATOM   3430  CA  ASP B 630      -6.929 -14.052   0.085  1.00 90.02           C  
-ATOM   3431  C   ASP B 630      -7.393 -13.635  -1.309  1.00 90.02           C  
-ATOM   3432  CB  ASP B 630      -7.920 -15.046   0.694  1.00 90.02           C  
-ATOM   3433  O   ASP B 630      -7.609 -14.484  -2.177  1.00 90.02           O  
-ATOM   3434  CG  ASP B 630      -9.320 -14.477   0.834  1.00 90.02           C  
-ATOM   3435  OD1 ASP B 630      -9.583 -13.368   0.320  1.00 90.02           O  
-ATOM   3436  OD2 ASP B 630     -10.169 -15.142   1.468  1.00 90.02           O  
-ATOM   3437  N   GLY B 631      -7.512 -12.345  -1.509  1.00 90.07           N  
-ATOM   3438  CA  GLY B 631      -7.856 -11.789  -2.809  1.00 90.07           C  
-ATOM   3439  C   GLY B 631      -9.342 -11.851  -3.109  1.00 90.07           C  
-ATOM   3440  O   GLY B 631      -9.745 -11.869  -4.274  1.00 90.07           O  
-ATOM   3441  N   LYS B 632     -10.187 -11.900  -2.027  1.00 94.76           N  
-ATOM   3442  CA  LYS B 632     -11.626 -12.020  -2.242  1.00 94.76           C  
-ATOM   3443  C   LYS B 632     -12.397 -11.045  -1.358  1.00 94.76           C  
-ATOM   3444  CB  LYS B 632     -12.091 -13.452  -1.972  1.00 94.76           C  
-ATOM   3445  O   LYS B 632     -11.985 -10.761  -0.231  1.00 94.76           O  
-ATOM   3446  CG  LYS B 632     -11.565 -14.472  -2.971  1.00 94.76           C  
-ATOM   3447  CD  LYS B 632     -12.174 -15.849  -2.737  1.00 94.76           C  
-ATOM   3448  CE  LYS B 632     -11.731 -16.845  -3.800  1.00 94.76           C  
-ATOM   3449  NZ  LYS B 632     -10.515 -17.602  -3.378  1.00 94.76           N  
-ATOM   3450  N   LEU B 633     -13.491 -10.529  -1.927  1.00 97.21           N  
-ATOM   3451  CA  LEU B 633     -14.596 -10.007  -1.131  1.00 97.21           C  
-ATOM   3452  C   LEU B 633     -15.661 -11.076  -0.911  1.00 97.21           C  
-ATOM   3453  CB  LEU B 633     -15.216  -8.784  -1.811  1.00 97.21           C  
-ATOM   3454  O   LEU B 633     -16.040 -11.783  -1.848  1.00 97.21           O  
-ATOM   3455  CG  LEU B 633     -14.315  -7.556  -1.952  1.00 97.21           C  
-ATOM   3456  CD1 LEU B 633     -15.034  -6.457  -2.727  1.00 97.21           C  
-ATOM   3457  CD2 LEU B 633     -13.878  -7.053  -0.581  1.00 97.21           C  
-ATOM   3458  N   ILE B 634     -16.041 -11.209   0.359  1.00 97.35           N  
-ATOM   3459  CA  ILE B 634     -17.143 -12.137   0.588  1.00 97.35           C  
-ATOM   3460  C   ILE B 634     -18.333 -11.390   1.184  1.00 97.35           C  
-ATOM   3461  CB  ILE B 634     -16.720 -13.298   1.515  1.00 97.35           C  
-ATOM   3462  O   ILE B 634     -18.183 -10.643   2.153  1.00 97.35           O  
-ATOM   3463  CG1 ILE B 634     -15.586 -14.108   0.875  1.00 97.35           C  
-ATOM   3464  CG2 ILE B 634     -17.918 -14.195   1.839  1.00 97.35           C  
-ATOM   3465  CD1 ILE B 634     -15.093 -15.267   1.730  1.00 97.35           C  
-ATOM   3466  N   ILE B 635     -19.472 -11.549   0.561  1.00 97.07           N  
-ATOM   3467  CA  ILE B 635     -20.718 -11.027   1.113  1.00 97.07           C  
-ATOM   3468  C   ILE B 635     -21.429 -12.121   1.906  1.00 97.07           C  
-ATOM   3469  CB  ILE B 635     -21.643 -10.483   0.001  1.00 97.07           C  
-ATOM   3470  O   ILE B 635     -21.703 -13.201   1.377  1.00 97.07           O  
-ATOM   3471  CG1 ILE B 635     -20.889  -9.478  -0.877  1.00 97.07           C  
-ATOM   3472  CG2 ILE B 635     -22.898  -9.847   0.607  1.00 97.07           C  
-ATOM   3473  CD1 ILE B 635     -20.331  -8.285  -0.113  1.00 97.07           C  
-ATOM   3474  N   TRP B 636     -21.712 -11.745   3.190  1.00 96.81           N  
-ATOM   3475  CA  TRP B 636     -22.251 -12.730   4.122  1.00 96.81           C  
-ATOM   3476  C   TRP B 636     -23.697 -12.406   4.481  1.00 96.81           C  
-ATOM   3477  CB  TRP B 636     -21.398 -12.791   5.392  1.00 96.81           C  
-ATOM   3478  O   TRP B 636     -24.077 -11.235   4.556  1.00 96.81           O  
-ATOM   3479  CG  TRP B 636     -19.925 -12.891   5.133  1.00 96.81           C  
-ATOM   3480  CD1 TRP B 636     -19.068 -11.866   4.842  1.00 96.81           C  
-ATOM   3481  CD2 TRP B 636     -19.136 -14.085   5.135  1.00 96.81           C  
-ATOM   3482  CE2 TRP B 636     -17.807 -13.709   4.839  1.00 96.81           C  
-ATOM   3483  CE3 TRP B 636     -19.425 -15.438   5.361  1.00 96.81           C  
-ATOM   3484  NE1 TRP B 636     -17.793 -12.352   4.664  1.00 96.81           N  
-ATOM   3485  CH2 TRP B 636     -17.077 -15.956   4.987  1.00 96.81           C  
-ATOM   3486  CZ2 TRP B 636     -16.768 -14.640   4.762  1.00 96.81           C  
-ATOM   3487  CZ3 TRP B 636     -18.389 -16.362   5.284  1.00 96.81           C  
-ATOM   3488  N   ASP B 637     -24.434 -13.424   4.612  1.00 95.39           N  
-ATOM   3489  CA  ASP B 637     -25.630 -13.330   5.443  1.00 95.39           C  
-ATOM   3490  C   ASP B 637     -25.326 -13.719   6.889  1.00 95.39           C  
-ATOM   3491  CB  ASP B 637     -26.745 -14.216   4.884  1.00 95.39           C  
-ATOM   3492  O   ASP B 637     -25.107 -14.894   7.187  1.00 95.39           O  
-ATOM   3493  CG  ASP B 637     -28.075 -14.011   5.587  1.00 95.39           C  
-ATOM   3494  OD1 ASP B 637     -28.089 -13.830   6.824  1.00 95.39           O  
-ATOM   3495  OD2 ASP B 637     -29.118 -14.035   4.900  1.00 95.39           O  
-ATOM   3496  N   SER B 638     -25.424 -12.737   7.788  1.00 93.97           N  
-ATOM   3497  CA  SER B 638     -24.923 -12.923   9.146  1.00 93.97           C  
-ATOM   3498  C   SER B 638     -25.853 -13.816   9.961  1.00 93.97           C  
-ATOM   3499  CB  SER B 638     -24.756 -11.574   9.846  1.00 93.97           C  
-ATOM   3500  O   SER B 638     -25.436 -14.411  10.957  1.00 93.97           O  
-ATOM   3501  OG  SER B 638     -26.004 -10.914   9.970  1.00 93.97           O  
-ATOM   3502  N   TYR B 639     -27.099 -13.997   9.610  1.00 91.92           N  
-ATOM   3503  CA  TYR B 639     -28.065 -14.823  10.325  1.00 91.92           C  
-ATOM   3504  C   TYR B 639     -27.912 -16.291   9.949  1.00 91.92           C  
-ATOM   3505  CB  TYR B 639     -29.494 -14.355  10.032  1.00 91.92           C  
-ATOM   3506  O   TYR B 639     -27.897 -17.164  10.821  1.00 91.92           O  
-ATOM   3507  CG  TYR B 639     -29.870 -13.074  10.735  1.00 91.92           C  
-ATOM   3508  CD1 TYR B 639     -30.261 -13.079  12.073  1.00 91.92           C  
-ATOM   3509  CD2 TYR B 639     -29.837 -11.856  10.065  1.00 91.92           C  
-ATOM   3510  CE1 TYR B 639     -30.611 -11.901  12.725  1.00 91.92           C  
-ATOM   3511  CE2 TYR B 639     -30.184 -10.672  10.707  1.00 91.92           C  
-ATOM   3512  OH  TYR B 639     -30.913  -9.535  12.675  1.00 91.92           O  
-ATOM   3513  CZ  TYR B 639     -30.569 -10.704  12.035  1.00 91.92           C  
-ATOM   3514  N   THR B 640     -27.731 -16.492   8.603  1.00 92.94           N  
-ATOM   3515  CA  THR B 640     -27.712 -17.864   8.108  1.00 92.94           C  
-ATOM   3516  C   THR B 640     -26.278 -18.361   7.946  1.00 92.94           C  
-ATOM   3517  CB  THR B 640     -28.455 -17.984   6.765  1.00 92.94           C  
-ATOM   3518  O   THR B 640     -26.046 -19.560   7.784  1.00 92.94           O  
-ATOM   3519  CG2 THR B 640     -29.887 -17.472   6.880  1.00 92.94           C  
-ATOM   3520  OG1 THR B 640     -27.763 -17.216   5.773  1.00 92.94           O  
-ATOM   3521  N   THR B 641     -25.330 -17.428   7.896  1.00 93.74           N  
-ATOM   3522  CA  THR B 641     -23.906 -17.672   7.695  1.00 93.74           C  
-ATOM   3523  C   THR B 641     -23.625 -18.068   6.248  1.00 93.74           C  
-ATOM   3524  CB  THR B 641     -23.389 -18.772   8.640  1.00 93.74           C  
-ATOM   3525  O   THR B 641     -22.522 -18.515   5.924  1.00 93.74           O  
-ATOM   3526  CG2 THR B 641     -23.708 -18.442  10.095  1.00 93.74           C  
-ATOM   3527  OG1 THR B 641     -24.007 -20.018   8.298  1.00 93.74           O  
-ATOM   3528  N   ASN B 642     -24.658 -17.914   5.453  1.00 94.51           N  
-ATOM   3529  CA  ASN B 642     -24.491 -18.203   4.033  1.00 94.51           C  
-ATOM   3530  C   ASN B 642     -23.607 -17.164   3.349  1.00 94.51           C  
-ATOM   3531  CB  ASN B 642     -25.852 -18.281   3.338  1.00 94.51           C  
-ATOM   3532  O   ASN B 642     -23.664 -15.978   3.682  1.00 94.51           O  
-ATOM   3533  CG  ASN B 642     -26.654 -19.497   3.758  1.00 94.51           C  
-ATOM   3534  ND2 ASN B 642     -27.963 -19.448   3.544  1.00 94.51           N  
-ATOM   3535  OD1 ASN B 642     -26.100 -20.473   4.272  1.00 94.51           O  
-ATOM   3536  N   LYS B 643     -22.749 -17.617   2.431  1.00 94.95           N  
-ATOM   3537  CA  LYS B 643     -22.031 -16.721   1.530  1.00 94.95           C  
-ATOM   3538  C   LYS B 643     -22.883 -16.364   0.315  1.00 94.95           C  
-ATOM   3539  CB  LYS B 643     -20.715 -17.356   1.078  1.00 94.95           C  
-ATOM   3540  O   LYS B 643     -23.282 -17.245  -0.450  1.00 94.95           O  
-ATOM   3541  CG  LYS B 643     -19.751 -17.658   2.216  1.00 94.95           C  
-ATOM   3542  CD  LYS B 643     -18.711 -18.694   1.808  1.00 94.95           C  
-ATOM   3543  CE  LYS B 643     -17.919 -19.195   3.008  1.00 94.95           C  
-ATOM   3544  NZ  LYS B 643     -18.705 -20.170   3.823  1.00 94.95           N  
-ATOM   3545  N   VAL B 644     -23.154 -15.009   0.284  1.00 93.39           N  
-ATOM   3546  CA  VAL B 644     -24.025 -14.542  -0.790  1.00 93.39           C  
-ATOM   3547  C   VAL B 644     -23.216 -14.377  -2.075  1.00 93.39           C  
-ATOM   3548  CB  VAL B 644     -24.718 -13.211  -0.422  1.00 93.39           C  
-ATOM   3549  O   VAL B 644     -23.653 -14.798  -3.149  1.00 93.39           O  
-ATOM   3550  CG1 VAL B 644     -25.590 -12.719  -1.575  1.00 93.39           C  
-ATOM   3551  CG2 VAL B 644     -25.550 -13.378   0.848  1.00 93.39           C  
-ATOM   3552  N   HIS B 645     -22.023 -13.804  -1.976  1.00 93.50           N  
-ATOM   3553  CA  HIS B 645     -21.067 -13.622  -3.063  1.00 93.50           C  
-ATOM   3554  C   HIS B 645     -19.636 -13.835  -2.579  1.00 93.50           C  
-ATOM   3555  CB  HIS B 645     -21.212 -12.229  -3.676  1.00 93.50           C  
-ATOM   3556  O   HIS B 645     -19.313 -13.528  -1.429  1.00 93.50           O  
-ATOM   3557  CG  HIS B 645     -22.535 -11.997  -4.333  1.00 93.50           C  
-ATOM   3558  CD2 HIS B 645     -23.627 -11.314  -3.916  1.00 93.50           C  
-ATOM   3559  ND1 HIS B 645     -22.848 -12.505  -5.575  1.00 93.50           N  
-ATOM   3560  CE1 HIS B 645     -24.079 -12.141  -5.895  1.00 93.50           C  
-ATOM   3561  NE2 HIS B 645     -24.574 -11.418  -4.905  1.00 93.50           N  
-ATOM   3562  N   ALA B 646     -18.853 -14.367  -3.480  1.00 94.04           N  
-ATOM   3563  CA  ALA B 646     -17.398 -14.333  -3.357  1.00 94.04           C  
-ATOM   3564  C   ALA B 646     -16.757 -13.711  -4.595  1.00 94.04           C  
-ATOM   3565  CB  ALA B 646     -16.850 -15.740  -3.128  1.00 94.04           C  
-ATOM   3566  O   ALA B 646     -16.697 -14.341  -5.653  1.00 94.04           O  
-ATOM   3567  N   ILE B 647     -16.344 -12.475  -4.356  1.00 94.17           N  
-ATOM   3568  CA  ILE B 647     -15.893 -11.663  -5.481  1.00 94.17           C  
-ATOM   3569  C   ILE B 647     -14.367 -11.659  -5.536  1.00 94.17           C  
-ATOM   3570  CB  ILE B 647     -16.430 -10.217  -5.386  1.00 94.17           C  
-ATOM   3571  O   ILE B 647     -13.707 -11.205  -4.598  1.00 94.17           O  
-ATOM   3572  CG1 ILE B 647     -17.959 -10.222  -5.274  1.00 94.17           C  
-ATOM   3573  CG2 ILE B 647     -15.971  -9.391  -6.590  1.00 94.17           C  
-ATOM   3574  CD1 ILE B 647     -18.554  -8.880  -4.870  1.00 94.17           C  
-ATOM   3575  N   PRO B 648     -13.779 -12.253  -6.655  1.00 91.65           N  
-ATOM   3576  CA  PRO B 648     -12.323 -12.183  -6.801  1.00 91.65           C  
-ATOM   3577  C   PRO B 648     -11.825 -10.764  -7.068  1.00 91.65           C  
-ATOM   3578  CB  PRO B 648     -12.044 -13.094  -7.998  1.00 91.65           C  
-ATOM   3579  O   PRO B 648     -12.433 -10.030  -7.851  1.00 91.65           O  
-ATOM   3580  CG  PRO B 648     -13.320 -13.103  -8.777  1.00 91.65           C  
-ATOM   3581  CD  PRO B 648     -14.461 -12.876  -7.827  1.00 91.65           C  
-ATOM   3582  N   LEU B 649     -10.747 -10.434  -6.363  1.00 91.20           N  
-ATOM   3583  CA  LEU B 649     -10.181  -9.097  -6.498  1.00 91.20           C  
-ATOM   3584  C   LEU B 649      -8.975  -9.108  -7.432  1.00 91.20           C  
-ATOM   3585  CB  LEU B 649      -9.774  -8.546  -5.129  1.00 91.20           C  
-ATOM   3586  O   LEU B 649      -8.289 -10.125  -7.554  1.00 91.20           O  
-ATOM   3587  CG  LEU B 649     -10.882  -8.456  -4.078  1.00 91.20           C  
-ATOM   3588  CD1 LEU B 649     -10.299  -8.068  -2.724  1.00 91.20           C  
-ATOM   3589  CD2 LEU B 649     -11.951  -7.459  -4.512  1.00 91.20           C  
-ATOM   3590  N   ARG B 650      -8.690  -8.055  -8.058  1.00 81.06           N  
-ATOM   3591  CA  ARG B 650      -7.525  -7.870  -8.916  1.00 81.06           C  
-ATOM   3592  C   ARG B 650      -6.234  -7.909  -8.104  1.00 81.06           C  
-ATOM   3593  CB  ARG B 650      -7.623  -6.548  -9.680  1.00 81.06           C  
-ATOM   3594  O   ARG B 650      -5.219  -8.432  -8.567  1.00 81.06           O  
-ATOM   3595  CG  ARG B 650      -6.552  -6.369 -10.744  1.00 81.06           C  
-ATOM   3596  CD  ARG B 650      -6.706  -5.048 -11.484  1.00 81.06           C  
-ATOM   3597  NE  ARG B 650      -5.702  -4.897 -12.533  1.00 81.06           N  
-ATOM   3598  NH1 ARG B 650      -6.548  -2.906 -13.343  1.00 81.06           N  
-ATOM   3599  NH2 ARG B 650      -4.693  -3.846 -14.308  1.00 81.06           N  
-ATOM   3600  CZ  ARG B 650      -5.650  -3.883 -13.393  1.00 81.06           C  
-ATOM   3601  N   SER B 651      -6.375  -7.346  -6.995  1.00 83.31           N  
-ATOM   3602  CA  SER B 651      -5.247  -7.317  -6.069  1.00 83.31           C  
-ATOM   3603  C   SER B 651      -5.618  -7.938  -4.727  1.00 83.31           C  
-ATOM   3604  CB  SER B 651      -4.762  -5.882  -5.860  1.00 83.31           C  
-ATOM   3605  O   SER B 651      -6.699  -7.679  -4.194  1.00 83.31           O  
-ATOM   3606  OG  SER B 651      -3.781  -5.826  -4.838  1.00 83.31           O  
-ATOM   3607  N   SER B 652      -4.751  -8.770  -4.163  1.00 84.98           N  
-ATOM   3608  CA  SER B 652      -4.964  -9.431  -2.880  1.00 84.98           C  
-ATOM   3609  C   SER B 652      -4.587  -8.517  -1.718  1.00 84.98           C  
-ATOM   3610  CB  SER B 652      -4.156 -10.727  -2.803  1.00 84.98           C  
-ATOM   3611  O   SER B 652      -4.882  -8.821  -0.561  1.00 84.98           O  
-ATOM   3612  OG  SER B 652      -2.770 -10.464  -2.943  1.00 84.98           O  
-ATOM   3613  N   TRP B 653      -4.019  -7.356  -2.068  1.00 85.67           N  
-ATOM   3614  CA  TRP B 653      -3.575  -6.411  -1.048  1.00 85.67           C  
-ATOM   3615  C   TRP B 653      -4.662  -5.384  -0.748  1.00 85.67           C  
-ATOM   3616  CB  TRP B 653      -2.294  -5.701  -1.494  1.00 85.67           C  
-ATOM   3617  O   TRP B 653      -4.482  -4.190  -0.997  1.00 85.67           O  
-ATOM   3618  CG  TRP B 653      -1.177  -6.633  -1.858  1.00 85.67           C  
-ATOM   3619  CD1 TRP B 653      -0.737  -6.941  -3.115  1.00 85.67           C  
-ATOM   3620  CD2 TRP B 653      -0.360  -7.382  -0.953  1.00 85.67           C  
-ATOM   3621  CE2 TRP B 653       0.556  -8.123  -1.732  1.00 85.67           C  
-ATOM   3622  CE3 TRP B 653      -0.313  -7.497   0.443  1.00 85.67           C  
-ATOM   3623  NE1 TRP B 653       0.305  -7.836  -3.046  1.00 85.67           N  
-ATOM   3624  CH2 TRP B 653       1.533  -9.064   0.208  1.00 85.67           C  
-ATOM   3625  CZ2 TRP B 653       1.509  -8.969  -1.160  1.00 85.67           C  
-ATOM   3626  CZ3 TRP B 653       0.636  -8.340   1.010  1.00 85.67           C  
-ATOM   3627  N   VAL B 654      -5.766  -5.870  -0.302  1.00 93.96           N  
-ATOM   3628  CA  VAL B 654      -6.948  -5.066  -0.010  1.00 93.96           C  
-ATOM   3629  C   VAL B 654      -6.859  -4.513   1.411  1.00 93.96           C  
-ATOM   3630  CB  VAL B 654      -8.248  -5.883  -0.183  1.00 93.96           C  
-ATOM   3631  O   VAL B 654      -6.378  -5.193   2.319  1.00 93.96           O  
-ATOM   3632  CG1 VAL B 654      -8.310  -7.020   0.836  1.00 93.96           C  
-ATOM   3633  CG2 VAL B 654      -9.470  -4.976  -0.052  1.00 93.96           C  
-ATOM   3634  N   MET B 655      -7.287  -3.292   1.605  1.00 94.93           N  
-ATOM   3635  CA  MET B 655      -7.169  -2.682   2.927  1.00 94.93           C  
-ATOM   3636  C   MET B 655      -8.525  -2.194   3.424  1.00 94.93           C  
-ATOM   3637  CB  MET B 655      -6.173  -1.521   2.897  1.00 94.93           C  
-ATOM   3638  O   MET B 655      -8.705  -1.960   4.620  1.00 94.93           O  
-ATOM   3639  CG  MET B 655      -4.727  -1.958   2.726  1.00 94.93           C  
-ATOM   3640  SD  MET B 655      -3.547  -0.564   2.897  1.00 94.93           S  
-ATOM   3641  CE  MET B 655      -3.649  -0.275   4.686  1.00 94.93           C  
-ATOM   3642  N   THR B 656      -9.517  -2.065   2.544  1.00 97.71           N  
-ATOM   3643  CA  THR B 656     -10.812  -1.521   2.936  1.00 97.71           C  
-ATOM   3644  C   THR B 656     -11.920  -2.062   2.037  1.00 97.71           C  
-ATOM   3645  CB  THR B 656     -10.810   0.018   2.883  1.00 97.71           C  
-ATOM   3646  O   THR B 656     -11.669  -2.439   0.891  1.00 97.71           O  
-ATOM   3647  CG2 THR B 656     -10.672   0.519   1.449  1.00 97.71           C  
-ATOM   3648  OG1 THR B 656     -12.038   0.511   3.434  1.00 97.71           O  
-ATOM   3649  N   CYS B 657     -13.094  -2.063   2.520  1.00 98.04           N  
-ATOM   3650  CA  CYS B 657     -14.312  -2.353   1.770  1.00 98.04           C  
-ATOM   3651  C   CYS B 657     -15.501  -1.594   2.347  1.00 98.04           C  
-ATOM   3652  CB  CYS B 657     -14.601  -3.853   1.777  1.00 98.04           C  
-ATOM   3653  O   CYS B 657     -15.485  -1.201   3.515  1.00 98.04           O  
-ATOM   3654  SG  CYS B 657     -14.951  -4.520   3.418  1.00 98.04           S  
-ATOM   3655  N   ALA B 658     -16.528  -1.365   1.484  1.00 98.08           N  
-ATOM   3656  CA  ALA B 658     -17.700  -0.632   1.956  1.00 98.08           C  
-ATOM   3657  C   ALA B 658     -18.942  -1.007   1.152  1.00 98.08           C  
-ATOM   3658  CB  ALA B 658     -17.454   0.872   1.878  1.00 98.08           C  
-ATOM   3659  O   ALA B 658     -18.864  -1.217  -0.061  1.00 98.08           O  
-ATOM   3660  N   TYR B 659     -20.016  -1.081   1.929  1.00 96.75           N  
-ATOM   3661  CA  TYR B 659     -21.328  -1.289   1.327  1.00 96.75           C  
-ATOM   3662  C   TYR B 659     -21.984   0.042   0.976  1.00 96.75           C  
-ATOM   3663  CB  TYR B 659     -22.234  -2.084   2.272  1.00 96.75           C  
-ATOM   3664  O   TYR B 659     -21.958   0.983   1.773  1.00 96.75           O  
-ATOM   3665  CG  TYR B 659     -22.540  -3.480   1.787  1.00 96.75           C  
-ATOM   3666  CD1 TYR B 659     -23.353  -3.690   0.674  1.00 96.75           C  
-ATOM   3667  CD2 TYR B 659     -22.020  -4.592   2.440  1.00 96.75           C  
-ATOM   3668  CE1 TYR B 659     -23.639  -4.974   0.225  1.00 96.75           C  
-ATOM   3669  CE2 TYR B 659     -22.300  -5.882   1.999  1.00 96.75           C  
-ATOM   3670  OH  TYR B 659     -23.390  -7.336   0.452  1.00 96.75           O  
-ATOM   3671  CZ  TYR B 659     -23.109  -6.062   0.892  1.00 96.75           C  
-ATOM   3672  N   ALA B 660     -22.563   0.135  -0.277  1.00 96.94           N  
-ATOM   3673  CA  ALA B 660     -23.374   1.304  -0.610  1.00 96.94           C  
-ATOM   3674  C   ALA B 660     -24.715   1.266   0.119  1.00 96.94           C  
-ATOM   3675  CB  ALA B 660     -23.594   1.386  -2.118  1.00 96.94           C  
-ATOM   3676  O   ALA B 660     -25.251   0.190   0.390  1.00 96.94           O  
-ATOM   3677  N   PRO B 661     -25.326   2.418   0.413  1.00 95.12           N  
-ATOM   3678  CA  PRO B 661     -26.592   2.473   1.148  1.00 95.12           C  
-ATOM   3679  C   PRO B 661     -27.709   1.695   0.457  1.00 95.12           C  
-ATOM   3680  CB  PRO B 661     -26.912   3.969   1.187  1.00 95.12           C  
-ATOM   3681  O   PRO B 661     -28.561   1.105   1.126  1.00 95.12           O  
-ATOM   3682  CG  PRO B 661     -25.580   4.646   1.141  1.00 95.12           C  
-ATOM   3683  CD  PRO B 661     -24.668   3.845   0.258  1.00 95.12           C  
-ATOM   3684  N   SER B 662     -27.659   1.658  -0.849  1.00 94.65           N  
-ATOM   3685  CA  SER B 662     -28.680   0.950  -1.614  1.00 94.65           C  
-ATOM   3686  C   SER B 662     -28.586  -0.557  -1.398  1.00 94.65           C  
-ATOM   3687  CB  SER B 662     -28.551   1.268  -3.104  1.00 94.65           C  
-ATOM   3688  O   SER B 662     -29.558  -1.283  -1.619  1.00 94.65           O  
-ATOM   3689  OG  SER B 662     -27.353   0.726  -3.633  1.00 94.65           O  
-ATOM   3690  N   GLY B 663     -27.342  -1.016  -1.067  1.00 93.37           N  
-ATOM   3691  CA  GLY B 663     -27.061  -2.439  -0.964  1.00 93.37           C  
-ATOM   3692  C   GLY B 663     -26.721  -3.078  -2.298  1.00 93.37           C  
-ATOM   3693  O   GLY B 663     -26.469  -4.283  -2.368  1.00 93.37           O  
-ATOM   3694  N   ASN B 664     -26.619  -2.259  -3.320  1.00 92.66           N  
-ATOM   3695  CA  ASN B 664     -26.418  -2.751  -4.679  1.00 92.66           C  
-ATOM   3696  C   ASN B 664     -24.943  -2.725  -5.072  1.00 92.66           C  
-ATOM   3697  CB  ASN B 664     -27.246  -1.935  -5.674  1.00 92.66           C  
-ATOM   3698  O   ASN B 664     -24.536  -3.407  -6.014  1.00 92.66           O  
-ATOM   3699  CG  ASN B 664     -28.737  -2.159  -5.515  1.00 92.66           C  
-ATOM   3700  ND2 ASN B 664     -29.528  -1.147  -5.852  1.00 92.66           N  
-ATOM   3701  OD1 ASN B 664     -29.174  -3.233  -5.092  1.00 92.66           O  
-ATOM   3702  N   TYR B 665     -24.144  -1.911  -4.367  1.00 96.13           N  
-ATOM   3703  CA  TYR B 665     -22.731  -1.764  -4.698  1.00 96.13           C  
-ATOM   3704  C   TYR B 665     -21.853  -2.062  -3.488  1.00 96.13           C  
-ATOM   3705  CB  TYR B 665     -22.444  -0.352  -5.217  1.00 96.13           C  
-ATOM   3706  O   TYR B 665     -22.241  -1.788  -2.350  1.00 96.13           O  
-ATOM   3707  CG  TYR B 665     -23.214   0.005  -6.465  1.00 96.13           C  
-ATOM   3708  CD1 TYR B 665     -22.817  -0.474  -7.712  1.00 96.13           C  
-ATOM   3709  CD2 TYR B 665     -24.338   0.821  -6.401  1.00 96.13           C  
-ATOM   3710  CE1 TYR B 665     -23.522  -0.146  -8.866  1.00 96.13           C  
-ATOM   3711  CE2 TYR B 665     -25.050   1.155  -7.548  1.00 96.13           C  
-ATOM   3712  OH  TYR B 665     -25.337   0.994  -9.912  1.00 96.13           O  
-ATOM   3713  CZ  TYR B 665     -24.636   0.667  -8.774  1.00 96.13           C  
-ATOM   3714  N   VAL B 666     -20.696  -2.625  -3.800  1.00 97.71           N  
-ATOM   3715  CA  VAL B 666     -19.626  -2.709  -2.811  1.00 97.71           C  
-ATOM   3716  C   VAL B 666     -18.333  -2.150  -3.400  1.00 97.71           C  
-ATOM   3717  CB  VAL B 666     -19.409  -4.161  -2.331  1.00 97.71           C  
-ATOM   3718  O   VAL B 666     -18.111  -2.225  -4.611  1.00 97.71           O  
-ATOM   3719  CG1 VAL B 666     -20.633  -4.667  -1.570  1.00 97.71           C  
-ATOM   3720  CG2 VAL B 666     -19.098  -5.074  -3.516  1.00 97.71           C  
-ATOM   3721  N   ALA B 667     -17.601  -1.539  -2.543  1.00 98.03           N  
-ATOM   3722  CA  ALA B 667     -16.323  -0.968  -2.960  1.00 98.03           C  
-ATOM   3723  C   ALA B 667     -15.165  -1.586  -2.182  1.00 98.03           C  
-ATOM   3724  CB  ALA B 667     -16.333   0.548  -2.778  1.00 98.03           C  
-ATOM   3725  O   ALA B 667     -15.341  -2.032  -1.046  1.00 98.03           O  
-ATOM   3726  N   CYS B 668     -14.008  -1.628  -2.838  1.00 97.81           N  
-ATOM   3727  CA  CYS B 668     -12.780  -2.042  -2.169  1.00 97.81           C  
-ATOM   3728  C   CYS B 668     -11.589  -1.229  -2.663  1.00 97.81           C  
-ATOM   3729  CB  CYS B 668     -12.522  -3.531  -2.397  1.00 97.81           C  
-ATOM   3730  O   CYS B 668     -11.635  -0.651  -3.750  1.00 97.81           O  
-ATOM   3731  SG  CYS B 668     -12.094  -3.943  -4.103  1.00 97.81           S  
-ATOM   3732  N   GLY B 669     -10.637  -1.145  -1.817  1.00 96.34           N  
-ATOM   3733  CA  GLY B 669      -9.395  -0.450  -2.117  1.00 96.34           C  
-ATOM   3734  C   GLY B 669      -8.217  -0.957  -1.306  1.00 96.34           C  
-ATOM   3735  O   GLY B 669      -8.400  -1.583  -0.261  1.00 96.34           O  
-ATOM   3736  N   GLY B 670      -6.989  -0.720  -1.842  1.00 94.14           N  
-ATOM   3737  CA  GLY B 670      -5.820  -1.201  -1.123  1.00 94.14           C  
-ATOM   3738  C   GLY B 670      -4.513  -0.698  -1.705  1.00 94.14           C  
-ATOM   3739  O   GLY B 670      -4.388   0.483  -2.036  1.00 94.14           O  
-ATOM   3740  N   LEU B 671      -3.506  -1.514  -1.861  1.00 88.61           N  
-ATOM   3741  CA  LEU B 671      -2.138  -1.126  -2.189  1.00 88.61           C  
-ATOM   3742  C   LEU B 671      -1.991  -0.868  -3.685  1.00 88.61           C  
-ATOM   3743  CB  LEU B 671      -1.153  -2.210  -1.747  1.00 88.61           C  
-ATOM   3744  O   LEU B 671      -0.957  -0.367  -4.134  1.00 88.61           O  
-ATOM   3745  CG  LEU B 671      -0.922  -2.344  -0.241  1.00 88.61           C  
-ATOM   3746  CD1 LEU B 671      -0.003  -3.525   0.052  1.00 88.61           C  
-ATOM   3747  CD2 LEU B 671      -0.341  -1.054   0.328  1.00 88.61           C  
-ATOM   3748  N   ASP B 672      -3.058  -1.131  -4.394  1.00 88.64           N  
-ATOM   3749  CA  ASP B 672      -2.994  -0.886  -5.832  1.00 88.64           C  
-ATOM   3750  C   ASP B 672      -3.441   0.535  -6.168  1.00 88.64           C  
-ATOM   3751  CB  ASP B 672      -3.855  -1.901  -6.587  1.00 88.64           C  
-ATOM   3752  O   ASP B 672      -3.567   0.890  -7.342  1.00 88.64           O  
-ATOM   3753  CG  ASP B 672      -5.307  -1.895  -6.142  1.00 88.64           C  
-ATOM   3754  OD1 ASP B 672      -5.658  -1.131  -5.216  1.00 88.64           O  
-ATOM   3755  OD2 ASP B 672      -6.107  -2.663  -6.719  1.00 88.64           O  
-ATOM   3756  N   ASN B 673      -3.783   1.310  -5.153  1.00 92.54           N  
-ATOM   3757  CA  ASN B 673      -4.112   2.730  -5.230  1.00 92.54           C  
-ATOM   3758  C   ASN B 673      -5.432   2.960  -5.960  1.00 92.54           C  
-ATOM   3759  CB  ASN B 673      -2.984   3.506  -5.913  1.00 92.54           C  
-ATOM   3760  O   ASN B 673      -5.768   4.096  -6.301  1.00 92.54           O  
-ATOM   3761  CG  ASN B 673      -1.649   3.330  -5.217  1.00 92.54           C  
-ATOM   3762  ND2 ASN B 673      -0.567   3.637  -5.922  1.00 92.54           N  
-ATOM   3763  OD1 ASN B 673      -1.591   2.920  -4.054  1.00 92.54           O  
-ATOM   3764  N   ILE B 674      -6.133   1.925  -6.239  1.00 94.09           N  
-ATOM   3765  CA  ILE B 674      -7.375   2.028  -6.999  1.00 94.09           C  
-ATOM   3766  C   ILE B 674      -8.557   1.650  -6.109  1.00 94.09           C  
-ATOM   3767  CB  ILE B 674      -7.343   1.131  -8.257  1.00 94.09           C  
-ATOM   3768  O   ILE B 674      -8.492   0.671  -5.362  1.00 94.09           O  
-ATOM   3769  CG1 ILE B 674      -6.190   1.544  -9.178  1.00 94.09           C  
-ATOM   3770  CG2 ILE B 674      -8.683   1.190  -8.996  1.00 94.09           C  
-ATOM   3771  CD1 ILE B 674      -5.948   0.585 -10.336  1.00 94.09           C  
-ATOM   3772  N   CYS B 675      -9.623   2.476  -6.179  1.00 96.89           N  
-ATOM   3773  CA  CYS B 675     -10.901   2.095  -5.587  1.00 96.89           C  
-ATOM   3774  C   CYS B 675     -11.797   1.414  -6.615  1.00 96.89           C  
-ATOM   3775  CB  CYS B 675     -11.610   3.318  -5.009  1.00 96.89           C  
-ATOM   3776  O   CYS B 675     -12.187   2.030  -7.609  1.00 96.89           O  
-ATOM   3777  SG  CYS B 675     -13.188   2.938  -4.216  1.00 96.89           S  
-ATOM   3778  N   SER B 676     -12.117   0.166  -6.394  1.00 96.99           N  
-ATOM   3779  CA  SER B 676     -12.937  -0.624  -7.307  1.00 96.99           C  
-ATOM   3780  C   SER B 676     -14.370  -0.744  -6.800  1.00 96.99           C  
-ATOM   3781  CB  SER B 676     -12.336  -2.017  -7.498  1.00 96.99           C  
-ATOM   3782  O   SER B 676     -14.596  -1.032  -5.623  1.00 96.99           O  
-ATOM   3783  OG  SER B 676     -11.026  -1.931  -8.032  1.00 96.99           O  
-ATOM   3784  N   ILE B 677     -15.341  -0.485  -7.698  1.00 97.14           N  
-ATOM   3785  CA  ILE B 677     -16.762  -0.571  -7.378  1.00 97.14           C  
-ATOM   3786  C   ILE B 677     -17.375  -1.783  -8.077  1.00 97.14           C  
-ATOM   3787  CB  ILE B 677     -17.512   0.718  -7.783  1.00 97.14           C  
-ATOM   3788  O   ILE B 677     -17.209  -1.959  -9.286  1.00 97.14           O  
-ATOM   3789  CG1 ILE B 677     -16.810   1.949  -7.200  1.00 97.14           C  
-ATOM   3790  CG2 ILE B 677     -18.974   0.656  -7.333  1.00 97.14           C  
-ATOM   3791  CD1 ILE B 677     -16.824   2.007  -5.678  1.00 97.14           C  
-ATOM   3792  N   TYR B 678     -18.065  -2.578  -7.291  1.00 95.71           N  
-ATOM   3793  CA  TYR B 678     -18.706  -3.778  -7.817  1.00 95.71           C  
-ATOM   3794  C   TYR B 678     -20.223  -3.670  -7.726  1.00 95.71           C  
-ATOM   3795  CB  TYR B 678     -18.224  -5.020  -7.061  1.00 95.71           C  
-ATOM   3796  O   TYR B 678     -20.760  -3.234  -6.705  1.00 95.71           O  
-ATOM   3797  CG  TYR B 678     -16.744  -5.281  -7.204  1.00 95.71           C  
-ATOM   3798  CD1 TYR B 678     -16.264  -6.173  -8.160  1.00 95.71           C  
-ATOM   3799  CD2 TYR B 678     -15.824  -4.638  -6.382  1.00 95.71           C  
-ATOM   3800  CE1 TYR B 678     -14.901  -6.419  -8.294  1.00 95.71           C  
-ATOM   3801  CE2 TYR B 678     -14.459  -4.876  -6.507  1.00 95.71           C  
-ATOM   3802  OH  TYR B 678     -12.658  -6.006  -7.592  1.00 95.71           O  
-ATOM   3803  CZ  TYR B 678     -14.008  -5.766  -7.464  1.00 95.71           C  
-ATOM   3804  N   ASN B 679     -20.807  -4.103  -8.787  1.00 93.19           N  
-ATOM   3805  CA  ASN B 679     -22.264  -4.165  -8.834  1.00 93.19           C  
-ATOM   3806  C   ASN B 679     -22.779  -5.551  -8.456  1.00 93.19           C  
-ATOM   3807  CB  ASN B 679     -22.774  -3.769 -10.221  1.00 93.19           C  
-ATOM   3808  O   ASN B 679     -22.462  -6.538  -9.122  1.00 93.19           O  
-ATOM   3809  CG  ASN B 679     -24.282  -3.615 -10.267  1.00 93.19           C  
-ATOM   3810  ND2 ASN B 679     -24.768  -2.821 -11.214  1.00 93.19           N  
-ATOM   3811  OD1 ASN B 679     -25.003  -4.204  -9.458  1.00 93.19           O  
-ATOM   3812  N   LEU B 680     -23.611  -5.538  -7.418  1.00 91.40           N  
-ATOM   3813  CA  LEU B 680     -24.052  -6.823  -6.886  1.00 91.40           C  
-ATOM   3814  C   LEU B 680     -25.298  -7.314  -7.614  1.00 91.40           C  
-ATOM   3815  CB  LEU B 680     -24.333  -6.713  -5.385  1.00 91.40           C  
-ATOM   3816  O   LEU B 680     -25.684  -8.477  -7.478  1.00 91.40           O  
-ATOM   3817  CG  LEU B 680     -23.144  -6.345  -4.497  1.00 91.40           C  
-ATOM   3818  CD1 LEU B 680     -23.589  -6.206  -3.045  1.00 91.40           C  
-ATOM   3819  CD2 LEU B 680     -22.038  -7.388  -4.624  1.00 91.40           C  
-ATOM   3820  N   LYS B 681     -25.900  -6.463  -8.440  1.00 83.30           N  
-ATOM   3821  CA  LYS B 681     -27.080  -6.842  -9.213  1.00 83.30           C  
-ATOM   3822  C   LYS B 681     -26.685  -7.477 -10.543  1.00 83.30           C  
-ATOM   3823  CB  LYS B 681     -27.975  -5.626  -9.457  1.00 83.30           C  
-ATOM   3824  O   LYS B 681     -26.097  -6.816 -11.402  1.00 83.30           O  
-ATOM   3825  CG  LYS B 681     -28.724  -5.151  -8.221  1.00 83.30           C  
-ATOM   3826  CD  LYS B 681     -29.773  -4.103  -8.572  1.00 83.30           C  
-ATOM   3827  CE  LYS B 681     -30.568  -3.674  -7.346  1.00 83.30           C  
-ATOM   3828  NZ  LYS B 681     -31.591  -2.639  -7.684  1.00 83.30           N  
-ATOM   3829  N   THR B 682     -26.378  -8.753 -10.557  1.00 68.50           N  
-ATOM   3830  CA  THR B 682     -26.044  -9.365 -11.838  1.00 68.50           C  
-ATOM   3831  C   THR B 682     -27.010 -10.500 -12.164  1.00 68.50           C  
-ATOM   3832  CB  THR B 682     -24.600  -9.900 -11.841  1.00 68.50           C  
-ATOM   3833  O   THR B 682     -27.517 -11.169 -11.261  1.00 68.50           O  
-ATOM   3834  CG2 THR B 682     -23.605  -8.802 -11.479  1.00 68.50           C  
-ATOM   3835  OG1 THR B 682     -24.488 -10.964 -10.888  1.00 68.50           O  
-ATOM   3836  N   ARG B 683     -27.554 -10.566 -13.466  1.00 56.77           N  
-ATOM   3837  CA  ARG B 683     -28.457 -11.555 -14.046  1.00 56.77           C  
-ATOM   3838  C   ARG B 683     -27.736 -12.876 -14.292  1.00 56.77           C  
-ATOM   3839  CB  ARG B 683     -29.056 -11.034 -15.354  1.00 56.77           C  
-ATOM   3840  O   ARG B 683     -28.325 -13.948 -14.141  1.00 56.77           O  
-ATOM   3841  CG  ARG B 683     -30.163 -10.010 -15.159  1.00 56.77           C  
-ATOM   3842  CD  ARG B 683     -30.837  -9.651 -16.476  1.00 56.77           C  
-ATOM   3843  NE  ARG B 683     -31.916  -8.685 -16.284  1.00 56.77           N  
-ATOM   3844  NH1 ARG B 683     -32.729  -8.852 -18.440  1.00 56.77           N  
-ATOM   3845  NH2 ARG B 683     -33.731  -7.440 -16.938  1.00 56.77           N  
-ATOM   3846  CZ  ARG B 683     -32.789  -8.328 -17.221  1.00 56.77           C  
-ATOM   3847  N   GLU B 684     -26.236 -12.925 -14.194  1.00 57.13           N  
-ATOM   3848  CA  GLU B 684     -25.414 -14.037 -14.662  1.00 57.13           C  
-ATOM   3849  C   GLU B 684     -24.500 -14.552 -13.553  1.00 57.13           C  
-ATOM   3850  CB  GLU B 684     -24.583 -13.619 -15.877  1.00 57.13           C  
-ATOM   3851  O   GLU B 684     -23.718 -15.481 -13.768  1.00 57.13           O  
-ATOM   3852  CG  GLU B 684     -25.403 -13.412 -17.142  1.00 57.13           C  
-ATOM   3853  CD  GLU B 684     -24.555 -13.079 -18.359  1.00 57.13           C  
-ATOM   3854  OE1 GLU B 684     -25.117 -12.933 -19.469  1.00 57.13           O  
-ATOM   3855  OE2 GLU B 684     -23.319 -12.964 -18.203  1.00 57.13           O  
-ATOM   3856  N   GLY B 685     -24.893 -14.141 -12.145  1.00 63.24           N  
-ATOM   3857  CA  GLY B 685     -24.284 -14.768 -10.983  1.00 63.24           C  
-ATOM   3858  C   GLY B 685     -22.830 -14.378 -10.789  1.00 63.24           C  
-ATOM   3859  O   GLY B 685     -22.282 -14.532  -9.696  1.00 63.24           O  
-ATOM   3860  N   ASN B 686     -22.072 -13.690 -11.893  1.00 72.50           N  
-ATOM   3861  CA  ASN B 686     -20.706 -13.222 -11.684  1.00 72.50           C  
-ATOM   3862  C   ASN B 686     -20.654 -11.708 -11.496  1.00 72.50           C  
-ATOM   3863  CB  ASN B 686     -19.810 -13.644 -12.850  1.00 72.50           C  
-ATOM   3864  O   ASN B 686     -21.191 -10.959 -12.314  1.00 72.50           O  
-ATOM   3865  CG  ASN B 686     -19.551 -15.137 -12.878  1.00 72.50           C  
-ATOM   3866  ND2 ASN B 686     -19.225 -15.661 -14.053  1.00 72.50           N  
-ATOM   3867  OD1 ASN B 686     -19.645 -15.815 -11.851  1.00 72.50           O  
-ATOM   3868  N   VAL B 687     -20.261 -11.285 -10.363  1.00 84.48           N  
-ATOM   3869  CA  VAL B 687     -20.121  -9.872 -10.026  1.00 84.48           C  
-ATOM   3870  C   VAL B 687     -18.870  -9.303 -10.692  1.00 84.48           C  
-ATOM   3871  CB  VAL B 687     -20.055  -9.658  -8.497  1.00 84.48           C  
-ATOM   3872  O   VAL B 687     -17.773  -9.843 -10.532  1.00 84.48           O  
-ATOM   3873  CG1 VAL B 687     -19.911  -8.173  -8.166  1.00 84.48           C  
-ATOM   3874  CG2 VAL B 687     -21.295 -10.241  -7.822  1.00 84.48           C  
-ATOM   3875  N   ARG B 688     -19.060  -8.310 -11.599  1.00 83.72           N  
-ATOM   3876  CA  ARG B 688     -17.944  -7.668 -12.286  1.00 83.72           C  
-ATOM   3877  C   ARG B 688     -17.716  -6.255 -11.760  1.00 83.72           C  
-ATOM   3878  CB  ARG B 688     -18.191  -7.631 -13.796  1.00 83.72           C  
-ATOM   3879  O   ARG B 688     -18.604  -5.667 -11.139  1.00 83.72           O  
-ATOM   3880  CG  ARG B 688     -18.289  -9.006 -14.438  1.00 83.72           C  
-ATOM   3881  CD  ARG B 688     -18.451  -8.912 -15.949  1.00 83.72           C  
-ATOM   3882  NE  ARG B 688     -18.548 -10.233 -16.563  1.00 83.72           N  
-ATOM   3883  NH1 ARG B 688     -18.470  -9.456 -18.737  1.00 83.72           N  
-ATOM   3884  NH2 ARG B 688     -18.649 -11.704 -18.325  1.00 83.72           N  
-ATOM   3885  CZ  ARG B 688     -18.556 -10.461 -17.874  1.00 83.72           C  
-ATOM   3886  N   VAL B 689     -16.503  -5.878 -12.075  1.00 89.85           N  
-ATOM   3887  CA  VAL B 689     -16.135  -4.520 -11.684  1.00 89.85           C  
-ATOM   3888  C   VAL B 689     -16.958  -3.512 -12.483  1.00 89.85           C  
-ATOM   3889  CB  VAL B 689     -14.626  -4.260 -11.890  1.00 89.85           C  
-ATOM   3890  O   VAL B 689     -16.975  -3.553 -13.715  1.00 89.85           O  
-ATOM   3891  CG1 VAL B 689     -14.266  -2.830 -11.490  1.00 89.85           C  
-ATOM   3892  CG2 VAL B 689     -13.798  -5.266 -11.094  1.00 89.85           C  
-ATOM   3893  N   SER B 690     -17.720  -2.615 -11.793  1.00 90.89           N  
-ATOM   3894  CA  SER B 690     -18.537  -1.587 -12.430  1.00 90.89           C  
-ATOM   3895  C   SER B 690     -17.703  -0.361 -12.787  1.00 90.89           C  
-ATOM   3896  CB  SER B 690     -19.694  -1.179 -11.517  1.00 90.89           C  
-ATOM   3897  O   SER B 690     -17.845   0.196 -13.878  1.00 90.89           O  
-ATOM   3898  OG  SER B 690     -20.485  -0.173 -12.126  1.00 90.89           O  
-ATOM   3899  N   ARG B 691     -16.803  -0.028 -11.821  1.00 93.78           N  
-ATOM   3900  CA  ARG B 691     -15.988   1.167 -12.011  1.00 93.78           C  
-ATOM   3901  C   ARG B 691     -14.686   1.074 -11.222  1.00 93.78           C  
-ATOM   3902  CB  ARG B 691     -16.764   2.419 -11.595  1.00 93.78           C  
-ATOM   3903  O   ARG B 691     -14.675   0.593 -10.087  1.00 93.78           O  
-ATOM   3904  CG  ARG B 691     -16.297   3.691 -12.284  1.00 93.78           C  
-ATOM   3905  CD  ARG B 691     -16.637   3.686 -13.768  1.00 93.78           C  
-ATOM   3906  NE  ARG B 691     -17.852   4.447 -14.045  1.00 93.78           N  
-ATOM   3907  NH1 ARG B 691     -17.907   3.936 -16.297  1.00 93.78           N  
-ATOM   3908  NH2 ARG B 691     -19.532   5.267 -15.379  1.00 93.78           N  
-ATOM   3909  CZ  ARG B 691     -18.428   4.549 -15.240  1.00 93.78           C  
-ATOM   3910  N   GLU B 692     -13.608   1.676 -11.868  1.00 95.09           N  
-ATOM   3911  CA  GLU B 692     -12.333   1.838 -11.176  1.00 95.09           C  
-ATOM   3912  C   GLU B 692     -11.970   3.313 -11.024  1.00 95.09           C  
-ATOM   3913  CB  GLU B 692     -11.219   1.097 -11.920  1.00 95.09           C  
-ATOM   3914  O   GLU B 692     -11.963   4.060 -12.005  1.00 95.09           O  
-ATOM   3915  CG  GLU B 692     -11.347  -0.419 -11.867  1.00 95.09           C  
-ATOM   3916  CD  GLU B 692     -10.185  -1.143 -12.527  1.00 95.09           C  
-ATOM   3917  OE1 GLU B 692     -10.011  -2.359 -12.286  1.00 95.09           O  
-ATOM   3918  OE2 GLU B 692      -9.441  -0.488 -13.291  1.00 95.09           O  
-ATOM   3919  N   LEU B 693     -11.810   3.640  -9.806  1.00 96.01           N  
-ATOM   3920  CA  LEU B 693     -11.464   5.026  -9.510  1.00 96.01           C  
-ATOM   3921  C   LEU B 693      -9.974   5.164  -9.217  1.00 96.01           C  
-ATOM   3922  CB  LEU B 693     -12.279   5.539  -8.320  1.00 96.01           C  
-ATOM   3923  O   LEU B 693      -9.521   4.842  -8.117  1.00 96.01           O  
-ATOM   3924  CG  LEU B 693     -13.783   5.260  -8.358  1.00 96.01           C  
-ATOM   3925  CD1 LEU B 693     -14.442   5.732  -7.066  1.00 96.01           C  
-ATOM   3926  CD2 LEU B 693     -14.422   5.934  -9.567  1.00 96.01           C  
-ATOM   3927  N   ALA B 694      -9.227   5.636 -10.284  1.00 92.48           N  
-ATOM   3928  CA  ALA B 694      -7.769   5.713 -10.229  1.00 92.48           C  
-ATOM   3929  C   ALA B 694      -7.300   7.161 -10.121  1.00 92.48           C  
-ATOM   3930  CB  ALA B 694      -7.155   5.048 -11.459  1.00 92.48           C  
-ATOM   3931  O   ALA B 694      -7.508   7.958 -11.039  1.00 92.48           O  
-ATOM   3932  N   GLY B 695      -6.917   7.628  -8.959  1.00 88.81           N  
-ATOM   3933  CA  GLY B 695      -6.491   9.007  -8.779  1.00 88.81           C  
-ATOM   3934  C   GLY B 695      -5.516   9.185  -7.630  1.00 88.81           C  
-ATOM   3935  O   GLY B 695      -4.683  10.093  -7.652  1.00 88.81           O  
-ATOM   3936  N   HIS B 696      -5.468   8.302  -6.775  1.00 93.63           N  
-ATOM   3937  CA  HIS B 696      -4.551   8.375  -5.643  1.00 93.63           C  
-ATOM   3938  C   HIS B 696      -3.152   7.913  -6.036  1.00 93.63           C  
-ATOM   3939  CB  HIS B 696      -5.073   7.534  -4.476  1.00 93.63           C  
-ATOM   3940  O   HIS B 696      -2.999   7.058  -6.912  1.00 93.63           O  
-ATOM   3941  CG  HIS B 696      -6.137   8.213  -3.675  1.00 93.63           C  
-ATOM   3942  CD2 HIS B 696      -7.414   7.853  -3.406  1.00 93.63           C  
-ATOM   3943  ND1 HIS B 696      -5.935   9.422  -3.043  1.00 93.63           N  
-ATOM   3944  CE1 HIS B 696      -7.046   9.775  -2.418  1.00 93.63           C  
-ATOM   3945  NE2 HIS B 696      -7.958   8.841  -2.622  1.00 93.63           N  
-ATOM   3946  N   THR B 697      -2.070   8.446  -5.443  1.00 91.07           N  
-ATOM   3947  CA  THR B 697      -0.678   8.078  -5.681  1.00 91.07           C  
-ATOM   3948  C   THR B 697      -0.138   7.232  -4.532  1.00 91.07           C  
-ATOM   3949  CB  THR B 697       0.206   9.326  -5.864  1.00 91.07           C  
-ATOM   3950  O   THR B 697       1.061   6.955  -4.469  1.00 91.07           O  
-ATOM   3951  CG2 THR B 697      -0.230  10.136  -7.080  1.00 91.07           C  
-ATOM   3952  OG1 THR B 697       0.107  10.149  -4.695  1.00 91.07           O  
-ATOM   3953  N   GLY B 698      -0.990   6.915  -3.571  1.00 88.21           N  
-ATOM   3954  CA  GLY B 698      -0.706   6.056  -2.432  1.00 88.21           C  
-ATOM   3955  C   GLY B 698      -1.789   5.024  -2.179  1.00 88.21           C  
-ATOM   3956  O   GLY B 698      -2.840   5.048  -2.822  1.00 88.21           O  
-ATOM   3957  N   TYR B 699      -1.544   4.028  -1.264  1.00 93.21           N  
-ATOM   3958  CA  TYR B 699      -2.515   2.972  -1.003  1.00 93.21           C  
-ATOM   3959  C   TYR B 699      -3.799   3.544  -0.413  1.00 93.21           C  
-ATOM   3960  CB  TYR B 699      -1.927   1.923  -0.054  1.00 93.21           C  
-ATOM   3961  O   TYR B 699      -3.774   4.582   0.252  1.00 93.21           O  
-ATOM   3962  CG  TYR B 699      -1.489   2.486   1.276  1.00 93.21           C  
-ATOM   3963  CD1 TYR B 699      -0.163   2.852   1.497  1.00 93.21           C  
-ATOM   3964  CD2 TYR B 699      -2.399   2.653   2.314  1.00 93.21           C  
-ATOM   3965  CE1 TYR B 699       0.246   3.369   2.721  1.00 93.21           C  
-ATOM   3966  CE2 TYR B 699      -2.001   3.170   3.543  1.00 93.21           C  
-ATOM   3967  OH  TYR B 699      -0.279   4.036   4.951  1.00 93.21           O  
-ATOM   3968  CZ  TYR B 699      -0.678   3.525   3.737  1.00 93.21           C  
-ATOM   3969  N   LEU B 700      -4.890   2.839  -0.724  1.00 96.71           N  
-ATOM   3970  CA  LEU B 700      -6.173   3.220  -0.143  1.00 96.71           C  
-ATOM   3971  C   LEU B 700      -6.365   2.572   1.224  1.00 96.71           C  
-ATOM   3972  CB  LEU B 700      -7.322   2.825  -1.074  1.00 96.71           C  
-ATOM   3973  O   LEU B 700      -6.290   1.348   1.350  1.00 96.71           O  
-ATOM   3974  CG  LEU B 700      -7.600   3.768  -2.246  1.00 96.71           C  
-ATOM   3975  CD1 LEU B 700      -6.594   3.531  -3.368  1.00 96.71           C  
-ATOM   3976  CD2 LEU B 700      -9.026   3.586  -2.753  1.00 96.71           C  
-ATOM   3977  N   SER B 701      -6.514   3.409   2.183  1.00 96.81           N  
-ATOM   3978  CA  SER B 701      -6.614   2.914   3.552  1.00 96.81           C  
-ATOM   3979  C   SER B 701      -8.069   2.727   3.968  1.00 96.81           C  
-ATOM   3980  CB  SER B 701      -5.917   3.870   4.520  1.00 96.81           C  
-ATOM   3981  O   SER B 701      -8.375   1.883   4.813  1.00 96.81           O  
-ATOM   3982  OG  SER B 701      -6.468   5.172   4.425  1.00 96.81           O  
-ATOM   3983  N   CYS B 702      -9.059   3.513   3.502  1.00 97.94           N  
-ATOM   3984  CA  CYS B 702     -10.470   3.438   3.864  1.00 97.94           C  
-ATOM   3985  C   CYS B 702     -11.345   4.050   2.776  1.00 97.94           C  
-ATOM   3986  CB  CYS B 702     -10.721   4.150   5.193  1.00 97.94           C  
-ATOM   3987  O   CYS B 702     -10.926   4.981   2.086  1.00 97.94           O  
-ATOM   3988  SG  CYS B 702     -12.390   3.911   5.842  1.00 97.94           S  
-ATOM   3989  N   CYS B 703     -12.586   3.511   2.609  1.00 97.98           N  
-ATOM   3990  CA  CYS B 703     -13.567   4.074   1.688  1.00 97.98           C  
-ATOM   3991  C   CYS B 703     -14.972   4.001   2.276  1.00 97.98           C  
-ATOM   3992  CB  CYS B 703     -13.527   3.340   0.348  1.00 97.98           C  
-ATOM   3993  O   CYS B 703     -15.318   3.027   2.947  1.00 97.98           O  
-ATOM   3994  SG  CYS B 703     -13.974   1.593   0.461  1.00 97.98           S  
-ATOM   3995  N   ARG B 704     -15.803   5.042   2.035  1.00 98.01           N  
-ATOM   3996  CA  ARG B 704     -17.185   5.103   2.500  1.00 98.01           C  
-ATOM   3997  C   ARG B 704     -18.081   5.778   1.467  1.00 98.01           C  
-ATOM   3998  CB  ARG B 704     -17.271   5.847   3.835  1.00 98.01           C  
-ATOM   3999  O   ARG B 704     -17.716   6.809   0.899  1.00 98.01           O  
-ATOM   4000  CG  ARG B 704     -16.605   5.118   4.991  1.00 98.01           C  
-ATOM   4001  CD  ARG B 704     -17.356   3.847   5.363  1.00 98.01           C  
-ATOM   4002  NE  ARG B 704     -16.796   3.221   6.557  1.00 98.01           N  
-ATOM   4003  NH1 ARG B 704     -15.309   1.878   5.407  1.00 98.01           N  
-ATOM   4004  NH2 ARG B 704     -15.401   1.796   7.696  1.00 98.01           N  
-ATOM   4005  CZ  ARG B 704     -15.837   2.299   6.551  1.00 98.01           C  
-ATOM   4006  N   PHE B 705     -19.234   5.099   1.188  1.00 97.95           N  
-ATOM   4007  CA  PHE B 705     -20.214   5.675   0.276  1.00 97.95           C  
-ATOM   4008  C   PHE B 705     -20.990   6.799   0.953  1.00 97.95           C  
-ATOM   4009  CB  PHE B 705     -21.181   4.599  -0.227  1.00 97.95           C  
-ATOM   4010  O   PHE B 705     -21.468   6.639   2.078  1.00 97.95           O  
-ATOM   4011  CG  PHE B 705     -20.582   3.676  -1.254  1.00 97.95           C  
-ATOM   4012  CD1 PHE B 705     -20.629   3.994  -2.606  1.00 97.95           C  
-ATOM   4013  CD2 PHE B 705     -19.970   2.491  -0.866  1.00 97.95           C  
-ATOM   4014  CE1 PHE B 705     -20.075   3.141  -3.558  1.00 97.95           C  
-ATOM   4015  CE2 PHE B 705     -19.415   1.634  -1.813  1.00 97.95           C  
-ATOM   4016  CZ  PHE B 705     -19.469   1.961  -3.158  1.00 97.95           C  
-ATOM   4017  N   LEU B 706     -20.986   7.948   0.270  1.00 96.32           N  
-ATOM   4018  CA  LEU B 706     -21.939   8.974   0.683  1.00 96.32           C  
-ATOM   4019  C   LEU B 706     -23.358   8.593   0.274  1.00 96.32           C  
-ATOM   4020  CB  LEU B 706     -21.565  10.328   0.075  1.00 96.32           C  
-ATOM   4021  O   LEU B 706     -24.298   8.755   1.055  1.00 96.32           O  
-ATOM   4022  CG  LEU B 706     -20.468  11.115   0.794  1.00 96.32           C  
-ATOM   4023  CD1 LEU B 706     -19.092  10.671   0.308  1.00 96.32           C  
-ATOM   4024  CD2 LEU B 706     -20.658  12.613   0.583  1.00 96.32           C  
-ATOM   4025  N   ASP B 707     -23.419   8.129  -0.909  1.00 96.13           N  
-ATOM   4026  CA  ASP B 707     -24.583   7.554  -1.577  1.00 96.13           C  
-ATOM   4027  C   ASP B 707     -24.161   6.646  -2.730  1.00 96.13           C  
-ATOM   4028  CB  ASP B 707     -25.507   8.660  -2.089  1.00 96.13           C  
-ATOM   4029  O   ASP B 707     -22.985   6.300  -2.856  1.00 96.13           O  
-ATOM   4030  CG  ASP B 707     -24.829   9.588  -3.082  1.00 96.13           C  
-ATOM   4031  OD1 ASP B 707     -24.124   9.098  -3.991  1.00 96.13           O  
-ATOM   4032  OD2 ASP B 707     -24.999  10.819  -2.953  1.00 96.13           O  
-ATOM   4033  N   ASP B 708     -25.123   6.235  -3.545  1.00 95.21           N  
-ATOM   4034  CA  ASP B 708     -24.819   5.276  -4.603  1.00 95.21           C  
-ATOM   4035  C   ASP B 708     -24.008   5.928  -5.719  1.00 95.21           C  
-ATOM   4036  CB  ASP B 708     -26.108   4.677  -5.170  1.00 95.21           C  
-ATOM   4037  O   ASP B 708     -23.412   5.236  -6.547  1.00 95.21           O  
-ATOM   4038  CG  ASP B 708     -26.704   3.601  -4.279  1.00 95.21           C  
-ATOM   4039  OD1 ASP B 708     -26.221   3.414  -3.142  1.00 95.21           O  
-ATOM   4040  OD2 ASP B 708     -27.664   2.932  -4.721  1.00 95.21           O  
-ATOM   4041  N   ASN B 709     -23.890   7.298  -5.652  1.00 96.95           N  
-ATOM   4042  CA  ASN B 709     -23.233   8.010  -6.743  1.00 96.95           C  
-ATOM   4043  C   ASN B 709     -21.891   8.590  -6.306  1.00 96.95           C  
-ATOM   4044  CB  ASN B 709     -24.140   9.118  -7.283  1.00 96.95           C  
-ATOM   4045  O   ASN B 709     -21.065   8.954  -7.145  1.00 96.95           O  
-ATOM   4046  CG  ASN B 709     -25.398   8.578  -7.933  1.00 96.95           C  
-ATOM   4047  ND2 ASN B 709     -26.501   9.302  -7.782  1.00 96.95           N  
-ATOM   4048  OD1 ASN B 709     -25.380   7.518  -8.564  1.00 96.95           O  
-ATOM   4049  N   GLN B 710     -21.724   8.697  -5.076  1.00 97.67           N  
-ATOM   4050  CA  GLN B 710     -20.502   9.325  -4.583  1.00 97.67           C  
-ATOM   4051  C   GLN B 710     -19.854   8.483  -3.489  1.00 97.67           C  
-ATOM   4052  CB  GLN B 710     -20.795  10.732  -4.059  1.00 97.67           C  
-ATOM   4053  O   GLN B 710     -20.549   7.863  -2.681  1.00 97.67           O  
-ATOM   4054  CG  GLN B 710     -21.238  11.711  -5.138  1.00 97.67           C  
-ATOM   4055  CD  GLN B 710     -21.460  13.113  -4.603  1.00 97.67           C  
-ATOM   4056  NE2 GLN B 710     -21.266  14.112  -5.458  1.00 97.67           N  
-ATOM   4057  OE1 GLN B 710     -21.804  13.297  -3.431  1.00 97.67           O  
-ATOM   4058  N   ILE B 711     -18.523   8.564  -3.438  1.00 98.31           N  
-ATOM   4059  CA  ILE B 711     -17.763   7.833  -2.429  1.00 98.31           C  
-ATOM   4060  C   ILE B 711     -16.554   8.659  -1.995  1.00 98.31           C  
-ATOM   4061  CB  ILE B 711     -17.308   6.453  -2.954  1.00 98.31           C  
-ATOM   4062  O   ILE B 711     -15.958   9.373  -2.806  1.00 98.31           O  
-ATOM   4063  CG1 ILE B 711     -16.670   5.636  -1.825  1.00 98.31           C  
-ATOM   4064  CG2 ILE B 711     -16.339   6.614  -4.129  1.00 98.31           C  
-ATOM   4065  CD1 ILE B 711     -16.444   4.171  -2.173  1.00 98.31           C  
-ATOM   4066  N   VAL B 712     -16.218   8.535  -0.681  1.00 98.20           N  
-ATOM   4067  CA  VAL B 712     -15.038   9.204  -0.146  1.00 98.20           C  
-ATOM   4068  C   VAL B 712     -13.959   8.172   0.174  1.00 98.20           C  
-ATOM   4069  CB  VAL B 712     -15.377  10.030   1.116  1.00 98.20           C  
-ATOM   4070  O   VAL B 712     -14.250   7.115   0.739  1.00 98.20           O  
-ATOM   4071  CG1 VAL B 712     -14.136  10.751   1.639  1.00 98.20           C  
-ATOM   4072  CG2 VAL B 712     -16.492  11.029   0.815  1.00 98.20           C  
-ATOM   4073  N   THR B 713     -12.694   8.532  -0.196  1.00 98.40           N  
-ATOM   4074  CA  THR B 713     -11.579   7.623   0.045  1.00 98.40           C  
-ATOM   4075  C   THR B 713     -10.468   8.323   0.821  1.00 98.40           C  
-ATOM   4076  CB  THR B 713     -11.015   7.068  -1.277  1.00 98.40           C  
-ATOM   4077  O   THR B 713     -10.299   9.539   0.712  1.00 98.40           O  
-ATOM   4078  CG2 THR B 713     -12.087   6.319  -2.061  1.00 98.40           C  
-ATOM   4079  OG1 THR B 713     -10.526   8.154  -2.073  1.00 98.40           O  
-ATOM   4080  N   SER B 714      -9.787   7.561   1.677  1.00 97.98           N  
-ATOM   4081  CA  SER B 714      -8.560   8.019   2.321  1.00 97.98           C  
-ATOM   4082  C   SER B 714      -7.349   7.239   1.821  1.00 97.98           C  
-ATOM   4083  CB  SER B 714      -8.671   7.885   3.841  1.00 97.98           C  
-ATOM   4084  O   SER B 714      -7.453   6.050   1.514  1.00 97.98           O  
-ATOM   4085  OG  SER B 714      -8.767   6.523   4.220  1.00 97.98           O  
-ATOM   4086  N   SER B 715      -6.161   7.941   1.771  1.00 97.78           N  
-ATOM   4087  CA  SER B 715      -5.043   7.331   1.060  1.00 97.78           C  
-ATOM   4088  C   SER B 715      -3.721   7.607   1.769  1.00 97.78           C  
-ATOM   4089  CB  SER B 715      -4.977   7.845  -0.378  1.00 97.78           C  
-ATOM   4090  O   SER B 715      -3.615   8.556   2.548  1.00 97.78           O  
-ATOM   4091  OG  SER B 715      -3.821   7.353  -1.036  1.00 97.78           O  
-ATOM   4092  N   GLY B 716      -2.729   6.713   1.439  1.00 94.57           N  
-ATOM   4093  CA  GLY B 716      -1.359   6.891   1.894  1.00 94.57           C  
-ATOM   4094  C   GLY B 716      -0.656   8.060   1.228  1.00 94.57           C  
-ATOM   4095  O   GLY B 716       0.510   8.335   1.517  1.00 94.57           O  
-ATOM   4096  N   ASP B 717      -1.296   8.734   0.376  1.00 94.72           N  
-ATOM   4097  CA  ASP B 717      -0.741   9.918  -0.273  1.00 94.72           C  
-ATOM   4098  C   ASP B 717      -1.050  11.179   0.530  1.00 94.72           C  
-ATOM   4099  CB  ASP B 717      -1.283  10.054  -1.697  1.00 94.72           C  
-ATOM   4100  O   ASP B 717      -0.912  12.294   0.022  1.00 94.72           O  
-ATOM   4101  CG  ASP B 717      -2.778  10.320  -1.739  1.00 94.72           C  
-ATOM   4102  OD1 ASP B 717      -3.385  10.559  -0.673  1.00 94.72           O  
-ATOM   4103  OD2 ASP B 717      -3.353  10.288  -2.848  1.00 94.72           O  
-ATOM   4104  N   THR B 718      -1.549  11.007   1.698  1.00 96.92           N  
-ATOM   4105  CA  THR B 718      -1.792  12.021   2.718  1.00 96.92           C  
-ATOM   4106  C   THR B 718      -3.069  12.800   2.414  1.00 96.92           C  
-ATOM   4107  CB  THR B 718      -0.607  12.997   2.830  1.00 96.92           C  
-ATOM   4108  O   THR B 718      -3.299  13.870   2.980  1.00 96.92           O  
-ATOM   4109  CG2 THR B 718       0.705  12.247   3.041  1.00 96.92           C  
-ATOM   4110  OG1 THR B 718      -0.515  13.768   1.626  1.00 96.92           O  
-ATOM   4111  N   THR B 719      -3.881  12.344   1.473  1.00 97.39           N  
-ATOM   4112  CA  THR B 719      -5.093  13.060   1.092  1.00 97.39           C  
-ATOM   4113  C   THR B 719      -6.318  12.160   1.228  1.00 97.39           C  
-ATOM   4114  CB  THR B 719      -4.999  13.589  -0.351  1.00 97.39           C  
-ATOM   4115  O   THR B 719      -6.191  10.936   1.304  1.00 97.39           O  
-ATOM   4116  CG2 THR B 719      -3.741  14.428  -0.549  1.00 97.39           C  
-ATOM   4117  OG1 THR B 719      -4.968  12.481  -1.259  1.00 97.39           O  
-ATOM   4118  N   CYS B 720      -7.516  12.794   1.310  1.00 98.10           N  
-ATOM   4119  CA  CYS B 720      -8.819  12.193   1.048  1.00 98.10           C  
-ATOM   4120  C   CYS B 720      -9.404  12.708  -0.262  1.00 98.10           C  
-ATOM   4121  CB  CYS B 720      -9.784  12.482   2.197  1.00 98.10           C  
-ATOM   4122  O   CYS B 720      -9.043  13.792  -0.723  1.00 98.10           O  
-ATOM   4123  SG  CYS B 720      -9.217  11.866   3.797  1.00 98.10           S  
-ATOM   4124  N   ALA B 721     -10.249  11.886  -0.830  1.00 97.71           N  
-ATOM   4125  CA  ALA B 721     -10.820  12.312  -2.105  1.00 97.71           C  
-ATOM   4126  C   ALA B 721     -12.300  11.952  -2.191  1.00 97.71           C  
-ATOM   4127  CB  ALA B 721     -10.054  11.684  -3.268  1.00 97.71           C  
-ATOM   4128  O   ALA B 721     -12.715  10.888  -1.725  1.00 97.71           O  
-ATOM   4129  N   LEU B 722     -13.067  12.879  -2.716  1.00 98.02           N  
-ATOM   4130  CA  LEU B 722     -14.461  12.644  -3.077  1.00 98.02           C  
-ATOM   4131  C   LEU B 722     -14.588  12.297  -4.556  1.00 98.02           C  
-ATOM   4132  CB  LEU B 722     -15.313  13.874  -2.754  1.00 98.02           C  
-ATOM   4133  O   LEU B 722     -14.069  13.016  -5.414  1.00 98.02           O  
-ATOM   4134  CG  LEU B 722     -16.808  13.763  -3.061  1.00 98.02           C  
-ATOM   4135  CD1 LEU B 722     -17.446  12.679  -2.199  1.00 98.02           C  
-ATOM   4136  CD2 LEU B 722     -17.500  15.104  -2.841  1.00 98.02           C  
-ATOM   4137  N   TRP B 723     -15.353  11.171  -4.795  1.00 97.97           N  
-ATOM   4138  CA  TRP B 723     -15.427  10.654  -6.157  1.00 97.97           C  
-ATOM   4139  C   TRP B 723     -16.869  10.633  -6.654  1.00 97.97           C  
-ATOM   4140  CB  TRP B 723     -14.827   9.248  -6.232  1.00 97.97           C  
-ATOM   4141  O   TRP B 723     -17.792  10.345  -5.888  1.00 97.97           O  
-ATOM   4142  CG  TRP B 723     -13.401   9.169  -5.775  1.00 97.97           C  
-ATOM   4143  CD1 TRP B 723     -12.953   9.067  -4.488  1.00 97.97           C  
-ATOM   4144  CD2 TRP B 723     -12.236   9.191  -6.605  1.00 97.97           C  
-ATOM   4145  CE2 TRP B 723     -11.113   9.098  -5.753  1.00 97.97           C  
-ATOM   4146  CE3 TRP B 723     -12.031   9.280  -7.989  1.00 97.97           C  
-ATOM   4147  NE1 TRP B 723     -11.578   9.023  -4.467  1.00 97.97           N  
-ATOM   4148  CH2 TRP B 723      -9.632   9.179  -7.597  1.00 97.97           C  
-ATOM   4149  CZ2 TRP B 723      -9.804   9.091  -6.240  1.00 97.97           C  
-ATOM   4150  CZ3 TRP B 723     -10.728   9.273  -8.472  1.00 97.97           C  
-ATOM   4151  N   ASP B 724     -16.942  10.991  -7.908  1.00 97.05           N  
-ATOM   4152  CA  ASP B 724     -18.155  10.668  -8.652  1.00 97.05           C  
-ATOM   4153  C   ASP B 724     -18.037   9.304  -9.329  1.00 97.05           C  
-ATOM   4154  CB  ASP B 724     -18.449  11.749  -9.695  1.00 97.05           C  
-ATOM   4155  O   ASP B 724     -17.207   9.118 -10.222  1.00 97.05           O  
-ATOM   4156  CG  ASP B 724     -19.768  11.533 -10.417  1.00 97.05           C  
-ATOM   4157  OD1 ASP B 724     -19.819  10.717 -11.362  1.00 97.05           O  
-ATOM   4158  OD2 ASP B 724     -20.763  12.187 -10.038  1.00 97.05           O  
-ATOM   4159  N   ILE B 725     -18.900   8.424  -8.899  1.00 96.83           N  
-ATOM   4160  CA  ILE B 725     -18.745   7.031  -9.304  1.00 96.83           C  
-ATOM   4161  C   ILE B 725     -19.070   6.886 -10.789  1.00 96.83           C  
-ATOM   4162  CB  ILE B 725     -19.643   6.095  -8.464  1.00 96.83           C  
-ATOM   4163  O   ILE B 725     -18.368   6.181 -11.518  1.00 96.83           O  
-ATOM   4164  CG1 ILE B 725     -19.190   6.093  -7.000  1.00 96.83           C  
-ATOM   4165  CG2 ILE B 725     -19.635   4.677  -9.043  1.00 96.83           C  
-ATOM   4166  CD1 ILE B 725     -20.124   5.338  -6.064  1.00 96.83           C  
-ATOM   4167  N   GLU B 726     -20.034   7.575 -11.264  1.00 94.77           N  
-ATOM   4168  CA  GLU B 726     -20.459   7.485 -12.658  1.00 94.77           C  
-ATOM   4169  C   GLU B 726     -19.361   7.967 -13.602  1.00 94.77           C  
-ATOM   4170  CB  GLU B 726     -21.739   8.295 -12.883  1.00 94.77           C  
-ATOM   4171  O   GLU B 726     -19.035   7.291 -14.580  1.00 94.77           O  
-ATOM   4172  CG  GLU B 726     -22.311   8.163 -14.287  1.00 94.77           C  
-ATOM   4173  CD  GLU B 726     -23.641   8.879 -14.462  1.00 94.77           C  
-ATOM   4174  OE1 GLU B 726     -24.221   8.818 -15.570  1.00 94.77           O  
-ATOM   4175  OE2 GLU B 726     -24.106   9.506 -13.484  1.00 94.77           O  
-ATOM   4176  N   THR B 727     -18.768   9.117 -13.320  1.00 94.96           N  
-ATOM   4177  CA  THR B 727     -17.773   9.713 -14.204  1.00 94.96           C  
-ATOM   4178  C   THR B 727     -16.383   9.156 -13.909  1.00 94.96           C  
-ATOM   4179  CB  THR B 727     -17.753  11.247 -14.070  1.00 94.96           C  
-ATOM   4180  O   THR B 727     -15.474   9.270 -14.734  1.00 94.96           O  
-ATOM   4181  CG2 THR B 727     -19.143  11.836 -14.285  1.00 94.96           C  
-ATOM   4182  OG1 THR B 727     -17.294  11.601 -12.760  1.00 94.96           O  
-ATOM   4183  N   GLY B 728     -16.165   8.553 -12.746  1.00 93.63           N  
-ATOM   4184  CA  GLY B 728     -14.874   8.019 -12.341  1.00 93.63           C  
-ATOM   4185  C   GLY B 728     -13.864   9.098 -11.998  1.00 93.63           C  
-ATOM   4186  O   GLY B 728     -12.669   8.822 -11.882  1.00 93.63           O  
-ATOM   4187  N   GLN B 729     -14.393  10.358 -11.839  1.00 94.59           N  
-ATOM   4188  CA  GLN B 729     -13.525  11.507 -11.601  1.00 94.59           C  
-ATOM   4189  C   GLN B 729     -13.521  11.896 -10.125  1.00 94.59           C  
-ATOM   4190  CB  GLN B 729     -13.962  12.697 -12.456  1.00 94.59           C  
-ATOM   4191  O   GLN B 729     -14.539  11.771  -9.442  1.00 94.59           O  
-ATOM   4192  CG  GLN B 729     -13.791  12.474 -13.953  1.00 94.59           C  
-ATOM   4193  CD  GLN B 729     -12.344  12.568 -14.399  1.00 94.59           C  
-ATOM   4194  NE2 GLN B 729     -12.036  11.968 -15.543  1.00 94.59           N  
-ATOM   4195  OE1 GLN B 729     -11.510  13.176 -13.721  1.00 94.59           O  
-ATOM   4196  N   GLN B 730     -12.320  12.392  -9.755  1.00 95.31           N  
-ATOM   4197  CA  GLN B 730     -12.210  13.013  -8.440  1.00 95.31           C  
-ATOM   4198  C   GLN B 730     -12.868  14.390  -8.425  1.00 95.31           C  
-ATOM   4199  CB  GLN B 730     -10.744  13.128  -8.021  1.00 95.31           C  
-ATOM   4200  O   GLN B 730     -12.490  15.273  -9.197  1.00 95.31           O  
-ATOM   4201  CG  GLN B 730     -10.063  11.786  -7.790  1.00 95.31           C  
-ATOM   4202  CD  GLN B 730      -8.589  11.924  -7.458  1.00 95.31           C  
-ATOM   4203  NE2 GLN B 730      -8.012  10.879  -6.875  1.00 95.31           N  
-ATOM   4204  OE1 GLN B 730      -7.974  12.961  -7.724  1.00 95.31           O  
-ATOM   4205  N   THR B 731     -13.925  14.559  -7.572  1.00 95.10           N  
-ATOM   4206  CA  THR B 731     -14.643  15.828  -7.538  1.00 95.10           C  
-ATOM   4207  C   THR B 731     -13.957  16.812  -6.595  1.00 95.10           C  
-ATOM   4208  CB  THR B 731     -16.107  15.630  -7.102  1.00 95.10           C  
-ATOM   4209  O   THR B 731     -13.872  18.006  -6.890  1.00 95.10           O  
-ATOM   4210  CG2 THR B 731     -16.890  14.843  -8.147  1.00 95.10           C  
-ATOM   4211  OG1 THR B 731     -16.137  14.917  -5.860  1.00 95.10           O  
-ATOM   4212  N   THR B 732     -13.450  16.279  -5.500  1.00 96.23           N  
-ATOM   4213  CA  THR B 732     -12.780  17.104  -4.501  1.00 96.23           C  
-ATOM   4214  C   THR B 732     -11.602  16.356  -3.883  1.00 96.23           C  
-ATOM   4215  CB  THR B 732     -13.755  17.540  -3.391  1.00 96.23           C  
-ATOM   4216  O   THR B 732     -11.713  15.172  -3.559  1.00 96.23           O  
-ATOM   4217  CG2 THR B 732     -13.093  18.525  -2.434  1.00 96.23           C  
-ATOM   4218  OG1 THR B 732     -14.899  18.164  -3.986  1.00 96.23           O  
-ATOM   4219  N   THR B 733     -10.474  17.073  -3.727  1.00 96.54           N  
-ATOM   4220  CA  THR B 733      -9.332  16.545  -2.989  1.00 96.54           C  
-ATOM   4221  C   THR B 733      -9.157  17.282  -1.664  1.00 96.54           C  
-ATOM   4222  CB  THR B 733      -8.036  16.652  -3.813  1.00 96.54           C  
-ATOM   4223  O   THR B 733      -9.062  18.511  -1.639  1.00 96.54           O  
-ATOM   4224  CG2 THR B 733      -6.853  16.053  -3.059  1.00 96.54           C  
-ATOM   4225  OG1 THR B 733      -8.205  15.949  -5.051  1.00 96.54           O  
-ATOM   4226  N   PHE B 734      -9.197  16.498  -0.602  1.00 97.17           N  
-ATOM   4227  CA  PHE B 734      -9.041  17.067   0.732  1.00 97.17           C  
-ATOM   4228  C   PHE B 734      -7.597  16.949   1.206  1.00 97.17           C  
-ATOM   4229  CB  PHE B 734      -9.978  16.373   1.726  1.00 97.17           C  
-ATOM   4230  O   PHE B 734      -7.126  15.851   1.512  1.00 97.17           O  
-ATOM   4231  CG  PHE B 734     -11.425  16.398   1.315  1.00 97.17           C  
-ATOM   4232  CD1 PHE B 734     -12.251  17.450   1.693  1.00 97.17           C  
-ATOM   4233  CD2 PHE B 734     -11.960  15.370   0.551  1.00 97.17           C  
-ATOM   4234  CE1 PHE B 734     -13.591  17.476   1.314  1.00 97.17           C  
-ATOM   4235  CE2 PHE B 734     -13.298  15.389   0.168  1.00 97.17           C  
-ATOM   4236  CZ  PHE B 734     -14.112  16.442   0.552  1.00 97.17           C  
-ATOM   4237  N   THR B 735      -6.912  18.233   1.296  1.00 95.34           N  
-ATOM   4238  CA  THR B 735      -5.502  18.294   1.663  1.00 95.34           C  
-ATOM   4239  C   THR B 735      -5.328  18.938   3.035  1.00 95.34           C  
-ATOM   4240  CB  THR B 735      -4.685  19.077   0.618  1.00 95.34           C  
-ATOM   4241  O   THR B 735      -5.999  19.921   3.355  1.00 95.34           O  
-ATOM   4242  CG2 THR B 735      -4.754  18.406  -0.749  1.00 95.34           C  
-ATOM   4243  OG1 THR B 735      -5.208  20.407   0.512  1.00 95.34           O  
-ATOM   4244  N   GLY B 736      -4.592  18.291   3.912  1.00 92.58           N  
-ATOM   4245  CA  GLY B 736      -4.374  18.855   5.234  1.00 92.58           C  
-ATOM   4246  C   GLY B 736      -3.537  17.965   6.132  1.00 92.58           C  
-ATOM   4247  O   GLY B 736      -2.772  18.456   6.964  1.00 92.58           O  
-ATOM   4248  N   HIS B 737      -3.501  16.748   5.964  1.00 96.41           N  
-ATOM   4249  CA  HIS B 737      -2.698  15.820   6.752  1.00 96.41           C  
-ATOM   4250  C   HIS B 737      -1.251  15.798   6.272  1.00 96.41           C  
-ATOM   4251  CB  HIS B 737      -3.293  14.412   6.692  1.00 96.41           C  
-ATOM   4252  O   HIS B 737      -0.984  15.994   5.084  1.00 96.41           O  
-ATOM   4253  CG  HIS B 737      -4.463  14.216   7.602  1.00 96.41           C  
-ATOM   4254  CD2 HIS B 737      -5.773  14.003   7.332  1.00 96.41           C  
-ATOM   4255  ND1 HIS B 737      -4.349  14.230   8.975  1.00 96.41           N  
-ATOM   4256  CE1 HIS B 737      -5.541  14.033   9.512  1.00 96.41           C  
-ATOM   4257  NE2 HIS B 737      -6.423  13.893   8.537  1.00 96.41           N  
-ATOM   4258  N   THR B 738      -0.289  15.556   7.144  1.00 94.42           N  
-ATOM   4259  CA  THR B 738       1.132  15.472   6.822  1.00 94.42           C  
-ATOM   4260  C   THR B 738       1.620  14.029   6.900  1.00 94.42           C  
-ATOM   4261  CB  THR B 738       1.971  16.353   7.767  1.00 94.42           C  
-ATOM   4262  O   THR B 738       2.818  13.765   6.774  1.00 94.42           O  
-ATOM   4263  CG2 THR B 738       1.630  17.829   7.591  1.00 94.42           C  
-ATOM   4264  OG1 THR B 738       1.710  15.972   9.123  1.00 94.42           O  
-ATOM   4265  N   GLY B 739       0.743  13.113   7.174  1.00 93.98           N  
-ATOM   4266  CA  GLY B 739       0.981  11.679   7.199  1.00 93.98           C  
-ATOM   4267  C   GLY B 739      -0.087  10.884   6.472  1.00 93.98           C  
-ATOM   4268  O   GLY B 739      -1.085  11.447   6.017  1.00 93.98           O  
-ATOM   4269  N   ASP B 740       0.121   9.548   6.339  1.00 96.89           N  
-ATOM   4270  CA  ASP B 740      -0.853   8.667   5.703  1.00 96.89           C  
-ATOM   4271  C   ASP B 740      -2.211   8.758   6.396  1.00 96.89           C  
-ATOM   4272  CB  ASP B 740      -0.354   7.221   5.710  1.00 96.89           C  
-ATOM   4273  O   ASP B 740      -2.296   8.653   7.621  1.00 96.89           O  
-ATOM   4274  CG  ASP B 740       0.896   7.020   4.871  1.00 96.89           C  
-ATOM   4275  OD1 ASP B 740       1.383   7.996   4.261  1.00 96.89           O  
-ATOM   4276  OD2 ASP B 740       1.396   5.876   4.818  1.00 96.89           O  
-ATOM   4277  N   VAL B 741      -3.214   9.003   5.589  1.00 98.16           N  
-ATOM   4278  CA  VAL B 741      -4.559   8.978   6.154  1.00 98.16           C  
-ATOM   4279  C   VAL B 741      -5.035   7.534   6.293  1.00 98.16           C  
-ATOM   4280  CB  VAL B 741      -5.553   9.786   5.289  1.00 98.16           C  
-ATOM   4281  O   VAL B 741      -5.162   6.817   5.298  1.00 98.16           O  
-ATOM   4282  CG1 VAL B 741      -6.927   9.842   5.954  1.00 98.16           C  
-ATOM   4283  CG2 VAL B 741      -5.019  11.195   5.039  1.00 98.16           C  
-ATOM   4284  N   MET B 742      -5.277   7.111   7.517  1.00 97.10           N  
-ATOM   4285  CA  MET B 742      -5.431   5.689   7.814  1.00 97.10           C  
-ATOM   4286  C   MET B 742      -6.905   5.305   7.885  1.00 97.10           C  
-ATOM   4287  CB  MET B 742      -4.735   5.336   9.129  1.00 97.10           C  
-ATOM   4288  O   MET B 742      -7.259   4.142   7.681  1.00 97.10           O  
-ATOM   4289  CG  MET B 742      -3.226   5.519   9.092  1.00 97.10           C  
-ATOM   4290  SD  MET B 742      -2.419   4.448   7.840  1.00 97.10           S  
-ATOM   4291  CE  MET B 742      -2.785   2.812   8.533  1.00 97.10           C  
-ATOM   4292  N   SER B 743      -7.826   6.232   8.265  1.00 97.24           N  
-ATOM   4293  CA  SER B 743      -9.234   5.911   8.472  1.00 97.24           C  
-ATOM   4294  C   SER B 743     -10.114   7.145   8.301  1.00 97.24           C  
-ATOM   4295  CB  SER B 743      -9.449   5.309   9.861  1.00 97.24           C  
-ATOM   4296  O   SER B 743      -9.664   8.270   8.527  1.00 97.24           O  
-ATOM   4297  OG  SER B 743     -10.800   4.920  10.037  1.00 97.24           O  
-ATOM   4298  N   LEU B 744     -11.296   6.977   7.886  1.00 97.61           N  
-ATOM   4299  CA  LEU B 744     -12.280   8.053   7.821  1.00 97.61           C  
-ATOM   4300  C   LEU B 744     -13.655   7.558   8.256  1.00 97.61           C  
-ATOM   4301  CB  LEU B 744     -12.355   8.625   6.403  1.00 97.61           C  
-ATOM   4302  O   LEU B 744     -13.950   6.365   8.160  1.00 97.61           O  
-ATOM   4303  CG  LEU B 744     -12.795   7.657   5.303  1.00 97.61           C  
-ATOM   4304  CD1 LEU B 744     -14.313   7.509   5.303  1.00 97.61           C  
-ATOM   4305  CD2 LEU B 744     -12.298   8.132   3.942  1.00 97.61           C  
-ATOM   4306  N   SER B 745     -14.515   8.399   8.819  1.00 98.00           N  
-ATOM   4307  CA  SER B 745     -15.883   8.102   9.232  1.00 98.00           C  
-ATOM   4308  C   SER B 745     -16.836   9.224   8.834  1.00 98.00           C  
-ATOM   4309  CB  SER B 745     -15.950   7.876  10.742  1.00 98.00           C  
-ATOM   4310  O   SER B 745     -16.529  10.403   9.025  1.00 98.00           O  
-ATOM   4311  OG  SER B 745     -17.276   7.590  11.150  1.00 98.00           O  
-ATOM   4312  N   LEU B 746     -17.939   8.807   8.218  1.00 97.39           N  
-ATOM   4313  CA  LEU B 746     -18.946   9.782   7.816  1.00 97.39           C  
-ATOM   4314  C   LEU B 746     -19.851  10.145   8.988  1.00 97.39           C  
-ATOM   4315  CB  LEU B 746     -19.786   9.238   6.657  1.00 97.39           C  
-ATOM   4316  O   LEU B 746     -20.213   9.280   9.790  1.00 97.39           O  
-ATOM   4317  CG  LEU B 746     -19.048   8.998   5.339  1.00 97.39           C  
-ATOM   4318  CD1 LEU B 746     -19.961   8.294   4.341  1.00 97.39           C  
-ATOM   4319  CD2 LEU B 746     -18.535  10.315   4.766  1.00 97.39           C  
-ATOM   4320  N   ALA B 747     -20.208  11.409   9.093  1.00 96.26           N  
-ATOM   4321  CA  ALA B 747     -21.261  11.819  10.018  1.00 96.26           C  
-ATOM   4322  C   ALA B 747     -22.615  11.259   9.591  1.00 96.26           C  
-ATOM   4323  CB  ALA B 747     -21.324  13.341  10.112  1.00 96.26           C  
-ATOM   4324  O   ALA B 747     -22.847  11.016   8.405  1.00 96.26           O  
-ATOM   4325  N   PRO B 748     -23.519  11.038  10.526  1.00 93.66           N  
-ATOM   4326  CA  PRO B 748     -24.827  10.468  10.192  1.00 93.66           C  
-ATOM   4327  C   PRO B 748     -25.553  11.254   9.103  1.00 93.66           C  
-ATOM   4328  CB  PRO B 748     -25.590  10.538  11.517  1.00 93.66           C  
-ATOM   4329  O   PRO B 748     -26.232  10.664   8.259  1.00 93.66           O  
-ATOM   4330  CG  PRO B 748     -24.537  10.424  12.572  1.00 93.66           C  
-ATOM   4331  CD  PRO B 748     -23.309  11.149  12.100  1.00 93.66           C  
-ATOM   4332  N   ASP B 749     -25.363  12.538   9.048  1.00 91.55           N  
-ATOM   4333  CA  ASP B 749     -26.038  13.369   8.055  1.00 91.55           C  
-ATOM   4334  C   ASP B 749     -25.251  13.408   6.746  1.00 91.55           C  
-ATOM   4335  CB  ASP B 749     -26.240  14.788   8.590  1.00 91.55           C  
-ATOM   4336  O   ASP B 749     -25.676  14.043   5.779  1.00 91.55           O  
-ATOM   4337  CG  ASP B 749     -24.934  15.487   8.924  1.00 91.55           C  
-ATOM   4338  OD1 ASP B 749     -23.853  14.904   8.691  1.00 91.55           O  
-ATOM   4339  OD2 ASP B 749     -24.986  16.630   9.429  1.00 91.55           O  
-ATOM   4340  N   THR B 750     -24.013  12.804   6.665  1.00 93.05           N  
-ATOM   4341  CA  THR B 750     -23.162  12.567   5.505  1.00 93.05           C  
-ATOM   4342  C   THR B 750     -22.658  13.886   4.925  1.00 93.05           C  
-ATOM   4343  CB  THR B 750     -23.909  11.777   4.415  1.00 93.05           C  
-ATOM   4344  O   THR B 750     -22.202  13.933   3.781  1.00 93.05           O  
-ATOM   4345  CG2 THR B 750     -24.341  10.407   4.928  1.00 93.05           C  
-ATOM   4346  OG1 THR B 750     -25.072  12.512   4.013  1.00 93.05           O  
-ATOM   4347  N   ARG B 751     -22.825  14.992   5.694  1.00 92.33           N  
-ATOM   4348  CA  ARG B 751     -22.330  16.297   5.268  1.00 92.33           C  
-ATOM   4349  C   ARG B 751     -20.882  16.500   5.700  1.00 92.33           C  
-ATOM   4350  CB  ARG B 751     -23.207  17.416   5.833  1.00 92.33           C  
-ATOM   4351  O   ARG B 751     -20.140  17.255   5.067  1.00 92.33           O  
-ATOM   4352  CG  ARG B 751     -24.606  17.462   5.239  1.00 92.33           C  
-ATOM   4353  CD  ARG B 751     -25.402  18.650   5.762  1.00 92.33           C  
-ATOM   4354  NE  ARG B 751     -26.763  18.661   5.234  1.00 92.33           N  
-ATOM   4355  NH1 ARG B 751     -27.331  20.695   6.170  1.00 92.33           N  
-ATOM   4356  NH2 ARG B 751     -28.860  19.540   4.912  1.00 92.33           N  
-ATOM   4357  CZ  ARG B 751     -27.648  19.632   5.440  1.00 92.33           C  
-ATOM   4358  N   LEU B 752     -20.573  15.877   6.797  1.00 95.63           N  
-ATOM   4359  CA  LEU B 752     -19.236  15.956   7.375  1.00 95.63           C  
-ATOM   4360  C   LEU B 752     -18.577  14.581   7.411  1.00 95.63           C  
-ATOM   4361  CB  LEU B 752     -19.296  16.543   8.787  1.00 95.63           C  
-ATOM   4362  O   LEU B 752     -19.266  13.559   7.461  1.00 95.63           O  
-ATOM   4363  CG  LEU B 752     -19.935  17.926   8.920  1.00 95.63           C  
-ATOM   4364  CD1 LEU B 752     -20.142  18.275  10.390  1.00 95.63           C  
-ATOM   4365  CD2 LEU B 752     -19.077  18.981   8.230  1.00 95.63           C  
-ATOM   4366  N   PHE B 753     -17.307  14.582   7.416  1.00 97.76           N  
-ATOM   4367  CA  PHE B 753     -16.568  13.372   7.757  1.00 97.76           C  
-ATOM   4368  C   PHE B 753     -15.283  13.714   8.502  1.00 97.76           C  
-ATOM   4369  CB  PHE B 753     -16.244  12.565   6.496  1.00 97.76           C  
-ATOM   4370  O   PHE B 753     -14.792  14.842   8.417  1.00 97.76           O  
-ATOM   4371  CG  PHE B 753     -15.184  13.190   5.630  1.00 97.76           C  
-ATOM   4372  CD1 PHE B 753     -15.521  14.125   4.659  1.00 97.76           C  
-ATOM   4373  CD2 PHE B 753     -13.848  12.843   5.789  1.00 97.76           C  
-ATOM   4374  CE1 PHE B 753     -14.541  14.705   3.857  1.00 97.76           C  
-ATOM   4375  CE2 PHE B 753     -12.864  13.419   4.991  1.00 97.76           C  
-ATOM   4376  CZ  PHE B 753     -13.213  14.349   4.025  1.00 97.76           C  
-ATOM   4377  N   VAL B 754     -14.838  12.730   9.246  1.00 98.31           N  
-ATOM   4378  CA  VAL B 754     -13.598  12.901   9.996  1.00 98.31           C  
-ATOM   4379  C   VAL B 754     -12.553  11.903   9.502  1.00 98.31           C  
-ATOM   4380  CB  VAL B 754     -13.825  12.729  11.514  1.00 98.31           C  
-ATOM   4381  O   VAL B 754     -12.887  10.770   9.148  1.00 98.31           O  
-ATOM   4382  CG1 VAL B 754     -12.510  12.882  12.277  1.00 98.31           C  
-ATOM   4383  CG2 VAL B 754     -14.859  13.734  12.017  1.00 98.31           C  
-ATOM   4384  N   SER B 755     -11.290  12.370   9.429  1.00 98.40           N  
-ATOM   4385  CA  SER B 755     -10.183  11.508   9.030  1.00 98.40           C  
-ATOM   4386  C   SER B 755      -9.114  11.442  10.116  1.00 98.40           C  
-ATOM   4387  CB  SER B 755      -9.563  12.002   7.722  1.00 98.40           C  
-ATOM   4388  O   SER B 755      -8.894  12.417  10.837  1.00 98.40           O  
-ATOM   4389  OG  SER B 755      -9.001  13.292   7.888  1.00 98.40           O  
-ATOM   4390  N   GLY B 756      -8.569  10.256  10.332  1.00 98.17           N  
-ATOM   4391  CA  GLY B 756      -7.421  10.030  11.195  1.00 98.17           C  
-ATOM   4392  C   GLY B 756      -6.165   9.656  10.431  1.00 98.17           C  
-ATOM   4393  O   GLY B 756      -6.221   8.881   9.474  1.00 98.17           O  
-ATOM   4394  N   ALA B 757      -4.968  10.129  10.937  1.00 98.14           N  
-ATOM   4395  CA  ALA B 757      -3.789   9.962  10.092  1.00 98.14           C  
-ATOM   4396  C   ALA B 757      -2.555   9.636  10.929  1.00 98.14           C  
-ATOM   4397  CB  ALA B 757      -3.547  11.219   9.261  1.00 98.14           C  
-ATOM   4398  O   ALA B 757      -2.622   9.611  12.160  1.00 98.14           O  
-ATOM   4399  N   CYS B 758      -1.431   9.364  10.257  1.00 97.01           N  
-ATOM   4400  CA  CYS B 758      -0.147   9.031  10.863  1.00 97.01           C  
-ATOM   4401  C   CYS B 758       0.556  10.283  11.374  1.00 97.01           C  
-ATOM   4402  CB  CYS B 758       0.749   8.306   9.859  1.00 97.01           C  
-ATOM   4403  O   CYS B 758       1.640  10.199  11.954  1.00 97.01           O  
-ATOM   4404  SG  CYS B 758       0.164   6.655   9.421  1.00 97.01           S  
-ATOM   4405  N   ASP B 759      -0.044  11.396  11.273  1.00 95.47           N  
-ATOM   4406  CA  ASP B 759       0.465  12.628  11.869  1.00 95.47           C  
-ATOM   4407  C   ASP B 759      -0.123  12.847  13.261  1.00 95.47           C  
-ATOM   4408  CB  ASP B 759       0.153  13.827  10.972  1.00 95.47           C  
-ATOM   4409  O   ASP B 759      -0.017  13.941  13.821  1.00 95.47           O  
-ATOM   4410  CG  ASP B 759      -1.336  14.045  10.768  1.00 95.47           C  
-ATOM   4411  OD1 ASP B 759      -2.147  13.409  11.475  1.00 95.47           O  
-ATOM   4412  OD2 ASP B 759      -1.701  14.857   9.891  1.00 95.47           O  
-ATOM   4413  N   ALA B 760      -0.777  11.881  13.763  1.00 96.29           N  
-ATOM   4414  CA  ALA B 760      -1.330  11.784  15.112  1.00 96.29           C  
-ATOM   4415  C   ALA B 760      -2.487  12.760  15.302  1.00 96.29           C  
-ATOM   4416  CB  ALA B 760      -0.243  12.043  16.152  1.00 96.29           C  
-ATOM   4417  O   ALA B 760      -2.770  13.187  16.424  1.00 96.29           O  
-ATOM   4418  N   SER B 761      -3.108  13.185  14.193  1.00 96.99           N  
-ATOM   4419  CA  SER B 761      -4.219  14.127  14.285  1.00 96.99           C  
-ATOM   4420  C   SER B 761      -5.458  13.592  13.575  1.00 96.99           C  
-ATOM   4421  CB  SER B 761      -3.826  15.481  13.692  1.00 96.99           C  
-ATOM   4422  O   SER B 761      -5.351  12.768  12.665  1.00 96.99           O  
-ATOM   4423  OG  SER B 761      -3.653  15.383  12.289  1.00 96.99           O  
-ATOM   4424  N   ALA B 762      -6.642  14.039  14.085  1.00 98.15           N  
-ATOM   4425  CA  ALA B 762      -7.925  13.847  13.414  1.00 98.15           C  
-ATOM   4426  C   ALA B 762      -8.444  15.160  12.836  1.00 98.15           C  
-ATOM   4427  CB  ALA B 762      -8.948  13.253  14.381  1.00 98.15           C  
-ATOM   4428  O   ALA B 762      -8.390  16.201  13.496  1.00 98.15           O  
-ATOM   4429  N   LYS B 763      -8.938  15.082  11.616  1.00 97.95           N  
-ATOM   4430  CA  LYS B 763      -9.400  16.306  10.968  1.00 97.95           C  
-ATOM   4431  C   LYS B 763     -10.855  16.180  10.527  1.00 97.95           C  
-ATOM   4432  CB  LYS B 763      -8.516  16.644   9.766  1.00 97.95           C  
-ATOM   4433  O   LYS B 763     -11.258  15.148   9.985  1.00 97.95           O  
-ATOM   4434  CG  LYS B 763      -7.118  17.115  10.139  1.00 97.95           C  
-ATOM   4435  CD  LYS B 763      -6.292  17.450   8.904  1.00 97.95           C  
-ATOM   4436  CE  LYS B 763      -4.883  17.893   9.274  1.00 97.95           C  
-ATOM   4437  NZ  LYS B 763      -4.882  19.219   9.961  1.00 97.95           N  
-ATOM   4438  N   LEU B 764     -11.638  17.234  10.767  1.00 97.75           N  
-ATOM   4439  CA  LEU B 764     -13.041  17.333  10.380  1.00 97.75           C  
-ATOM   4440  C   LEU B 764     -13.188  18.064   9.050  1.00 97.75           C  
-ATOM   4441  CB  LEU B 764     -13.847  18.054  11.464  1.00 97.75           C  
-ATOM   4442  O   LEU B 764     -12.674  19.173   8.886  1.00 97.75           O  
-ATOM   4443  CG  LEU B 764     -15.350  18.187  11.215  1.00 97.75           C  
-ATOM   4444  CD1 LEU B 764     -16.032  16.829  11.348  1.00 97.75           C  
-ATOM   4445  CD2 LEU B 764     -15.964  19.196  12.180  1.00 97.75           C  
-ATOM   4446  N   TRP B 765     -13.978  17.419   8.120  1.00 97.26           N  
-ATOM   4447  CA  TRP B 765     -14.103  17.950   6.767  1.00 97.26           C  
-ATOM   4448  C   TRP B 765     -15.567  18.168   6.401  1.00 97.26           C  
-ATOM   4449  CB  TRP B 765     -13.446  17.007   5.756  1.00 97.26           C  
-ATOM   4450  O   TRP B 765     -16.435  17.387   6.797  1.00 97.26           O  
-ATOM   4451  CG  TRP B 765     -12.053  16.592   6.126  1.00 97.26           C  
-ATOM   4452  CD1 TRP B 765     -11.688  15.514   6.883  1.00 97.26           C  
-ATOM   4453  CD2 TRP B 765     -10.839  17.253   5.757  1.00 97.26           C  
-ATOM   4454  CE2 TRP B 765      -9.774  16.520   6.326  1.00 97.26           C  
-ATOM   4455  CE3 TRP B 765     -10.547  18.395   4.999  1.00 97.26           C  
-ATOM   4456  NE1 TRP B 765     -10.319  15.465   7.008  1.00 97.26           N  
-ATOM   4457  CH2 TRP B 765      -8.181  18.013   5.415  1.00 97.26           C  
-ATOM   4458  CZ2 TRP B 765      -8.438  16.892   6.161  1.00 97.26           C  
-ATOM   4459  CZ3 TRP B 765      -9.217  18.764   4.836  1.00 97.26           C  
-ATOM   4460  N   ASP B 766     -15.743  19.222   5.705  1.00 94.37           N  
-ATOM   4461  CA  ASP B 766     -17.020  19.418   5.026  1.00 94.37           C  
-ATOM   4462  C   ASP B 766     -16.949  18.946   3.575  1.00 94.37           C  
-ATOM   4463  CB  ASP B 766     -17.437  20.889   5.080  1.00 94.37           C  
-ATOM   4464  O   ASP B 766     -16.134  19.443   2.795  1.00 94.37           O  
-ATOM   4465  CG  ASP B 766     -18.865  21.119   4.617  1.00 94.37           C  
-ATOM   4466  OD1 ASP B 766     -19.230  20.660   3.513  1.00 94.37           O  
-ATOM   4467  OD2 ASP B 766     -19.632  21.767   5.362  1.00 94.37           O  
-ATOM   4468  N   VAL B 767     -17.888  18.086   3.198  1.00 92.63           N  
-ATOM   4469  CA  VAL B 767     -17.826  17.431   1.896  1.00 92.63           C  
-ATOM   4470  C   VAL B 767     -18.059  18.457   0.789  1.00 92.63           C  
-ATOM   4471  CB  VAL B 767     -18.857  16.285   1.788  1.00 92.63           C  
-ATOM   4472  O   VAL B 767     -17.523  18.323  -0.313  1.00 92.63           O  
-ATOM   4473  CG1 VAL B 767     -18.861  15.694   0.379  1.00 92.63           C  
-ATOM   4474  CG2 VAL B 767     -18.562  15.203   2.824  1.00 92.63           C  
-ATOM   4475  N   ARG B 768     -18.664  19.606   1.020  1.00 90.50           N  
-ATOM   4476  CA  ARG B 768     -19.034  20.610   0.027  1.00 90.50           C  
-ATOM   4477  C   ARG B 768     -17.926  21.643  -0.147  1.00 90.50           C  
-ATOM   4478  CB  ARG B 768     -20.339  21.303   0.423  1.00 90.50           C  
-ATOM   4479  O   ARG B 768     -17.656  22.090  -1.263  1.00 90.50           O  
-ATOM   4480  CG  ARG B 768     -21.540  20.371   0.475  1.00 90.50           C  
-ATOM   4481  CD  ARG B 768     -22.776  21.075   1.018  1.00 90.50           C  
-ATOM   4482  NE  ARG B 768     -22.613  21.444   2.422  1.00 90.50           N  
-ATOM   4483  NH1 ARG B 768     -24.723  22.360   2.640  1.00 90.50           N  
-ATOM   4484  NH2 ARG B 768     -23.289  22.336   4.428  1.00 90.50           N  
-ATOM   4485  CZ  ARG B 768     -23.542  22.046   3.160  1.00 90.50           C  
-ATOM   4486  N   GLU B 769     -17.258  21.981   0.995  1.00 88.37           N  
-ATOM   4487  CA  GLU B 769     -16.330  23.107   1.014  1.00 88.37           C  
-ATOM   4488  C   GLU B 769     -14.913  22.661   0.669  1.00 88.37           C  
-ATOM   4489  CB  GLU B 769     -16.347  23.795   2.382  1.00 88.37           C  
-ATOM   4490  O   GLU B 769     -14.113  23.451   0.163  1.00 88.37           O  
-ATOM   4491  CG  GLU B 769     -17.674  24.457   2.722  1.00 88.37           C  
-ATOM   4492  CD  GLU B 769     -17.661  25.176   4.061  1.00 88.37           C  
-ATOM   4493  OE1 GLU B 769     -18.703  25.748   4.454  1.00 88.37           O  
-ATOM   4494  OE2 GLU B 769     -16.600  25.167   4.724  1.00 88.37           O  
-ATOM   4495  N   GLY B 770     -14.584  21.412   0.856  1.00 85.39           N  
-ATOM   4496  CA  GLY B 770     -13.288  20.837   0.530  1.00 85.39           C  
-ATOM   4497  C   GLY B 770     -12.176  21.315   1.446  1.00 85.39           C  
-ATOM   4498  O   GLY B 770     -11.000  21.261   1.082  1.00 85.39           O  
-ATOM   4499  N   MET B 771     -12.612  22.001   2.607  1.00 84.71           N  
-ATOM   4500  CA  MET B 771     -11.617  22.495   3.555  1.00 84.71           C  
-ATOM   4501  C   MET B 771     -11.763  21.804   4.907  1.00 84.71           C  
-ATOM   4502  CB  MET B 771     -11.741  24.010   3.725  1.00 84.71           C  
-ATOM   4503  O   MET B 771     -12.856  21.363   5.268  1.00 84.71           O  
-ATOM   4504  CG  MET B 771     -11.517  24.792   2.441  1.00 84.71           C  
-ATOM   4505  SD  MET B 771     -11.510  26.606   2.715  1.00 84.71           S  
-ATOM   4506  CE  MET B 771     -10.982  27.175   1.075  1.00 84.71           C  
-ATOM   4507  N   CYS B 772     -10.580  21.777   5.539  1.00 92.78           N  
-ATOM   4508  CA  CYS B 772     -10.573  21.264   6.905  1.00 92.78           C  
-ATOM   4509  C   CYS B 772     -11.215  22.258   7.865  1.00 92.78           C  
-ATOM   4510  CB  CYS B 772      -9.145  20.956   7.354  1.00 92.78           C  
-ATOM   4511  O   CYS B 772     -10.781  23.408   7.955  1.00 92.78           O  
-ATOM   4512  SG  CYS B 772      -9.031  20.342   9.049  1.00 92.78           S  
-ATOM   4513  N   ARG B 773     -12.283  21.817   8.696  1.00 94.14           N  
-ATOM   4514  CA  ARG B 773     -13.043  22.683   9.592  1.00 94.14           C  
-ATOM   4515  C   ARG B 773     -12.422  22.711  10.985  1.00 94.14           C  
-ATOM   4516  CB  ARG B 773     -14.500  22.223   9.677  1.00 94.14           C  
-ATOM   4517  O   ARG B 773     -12.423  23.749  11.650  1.00 94.14           O  
-ATOM   4518  CG  ARG B 773     -15.279  22.404   8.385  1.00 94.14           C  
-ATOM   4519  CD  ARG B 773     -15.708  23.850   8.182  1.00 94.14           C  
-ATOM   4520  NE  ARG B 773     -16.647  23.984   7.072  1.00 94.14           N  
-ATOM   4521  NH1 ARG B 773     -17.315  26.125   7.623  1.00 94.14           N  
-ATOM   4522  NH2 ARG B 773     -18.211  25.076   5.792  1.00 94.14           N  
-ATOM   4523  CZ  ARG B 773     -17.389  25.061   6.831  1.00 94.14           C  
-ATOM   4524  N   GLN B 774     -11.934  21.580  11.417  1.00 94.66           N  
-ATOM   4525  CA  GLN B 774     -11.328  21.450  12.738  1.00 94.66           C  
-ATOM   4526  C   GLN B 774     -10.213  20.408  12.731  1.00 94.66           C  
-ATOM   4527  CB  GLN B 774     -12.385  21.081  13.781  1.00 94.66           C  
-ATOM   4528  O   GLN B 774     -10.270  19.435  11.976  1.00 94.66           O  
-ATOM   4529  CG  GLN B 774     -13.419  22.173  14.020  1.00 94.66           C  
-ATOM   4530  CD  GLN B 774     -14.438  21.794  15.078  1.00 94.66           C  
-ATOM   4531  NE2 GLN B 774     -15.371  22.699  15.354  1.00 94.66           N  
-ATOM   4532  OE1 GLN B 774     -14.389  20.696  15.641  1.00 94.66           O  
-ATOM   4533  N   THR B 775      -9.180  20.677  13.578  1.00 95.16           N  
-ATOM   4534  CA  THR B 775      -8.103  19.718  13.798  1.00 95.16           C  
-ATOM   4535  C   THR B 775      -8.028  19.318  15.269  1.00 95.16           C  
-ATOM   4536  CB  THR B 775      -6.745  20.289  13.349  1.00 95.16           C  
-ATOM   4537  O   THR B 775      -7.970  20.178  16.150  1.00 95.16           O  
-ATOM   4538  CG2 THR B 775      -5.622  19.285  13.584  1.00 95.16           C  
-ATOM   4539  OG1 THR B 775      -6.805  20.604  11.952  1.00 95.16           O  
-ATOM   4540  N   PHE B 776      -8.125  17.982  15.452  1.00 95.68           N  
-ATOM   4541  CA  PHE B 776      -8.074  17.451  16.809  1.00 95.68           C  
-ATOM   4542  C   PHE B 776      -6.755  16.728  17.057  1.00 95.68           C  
-ATOM   4543  CB  PHE B 776      -9.249  16.501  17.061  1.00 95.68           C  
-ATOM   4544  O   PHE B 776      -6.384  15.826  16.304  1.00 95.68           O  
-ATOM   4545  CG  PHE B 776     -10.598  17.154  16.922  1.00 95.68           C  
-ATOM   4546  CD1 PHE B 776     -11.202  17.771  18.011  1.00 95.68           C  
-ATOM   4547  CD2 PHE B 776     -11.262  17.151  15.703  1.00 95.68           C  
-ATOM   4548  CE1 PHE B 776     -12.450  18.376  17.886  1.00 95.68           C  
-ATOM   4549  CE2 PHE B 776     -12.509  17.754  15.570  1.00 95.68           C  
-ATOM   4550  CZ  PHE B 776     -13.102  18.365  16.663  1.00 95.68           C  
-ATOM   4551  N   THR B 777      -6.066  17.193  18.163  1.00 93.48           N  
-ATOM   4552  CA  THR B 777      -4.790  16.606  18.557  1.00 93.48           C  
-ATOM   4553  C   THR B 777      -4.889  15.976  19.943  1.00 93.48           C  
-ATOM   4554  CB  THR B 777      -3.665  17.657  18.547  1.00 93.48           C  
-ATOM   4555  O   THR B 777      -5.823  16.262  20.695  1.00 93.48           O  
-ATOM   4556  CG2 THR B 777      -3.502  18.276  17.163  1.00 93.48           C  
-ATOM   4557  OG1 THR B 777      -3.978  18.692  19.488  1.00 93.48           O  
-ATOM   4558  N   GLY B 778      -4.038  15.016  20.304  1.00 91.06           N  
-ATOM   4559  CA  GLY B 778      -4.043  14.375  21.609  1.00 91.06           C  
-ATOM   4560  C   GLY B 778      -3.283  13.063  21.633  1.00 91.06           C  
-ATOM   4561  O   GLY B 778      -2.626  12.738  22.624  1.00 91.06           O  
-ATOM   4562  N   HIS B 779      -3.269  12.395  20.599  1.00 96.45           N  
-ATOM   4563  CA  HIS B 779      -2.547  11.131  20.513  1.00 96.45           C  
-ATOM   4564  C   HIS B 779      -1.051  11.361  20.333  1.00 96.45           C  
-ATOM   4565  CB  HIS B 779      -3.090  10.281  19.362  1.00 96.45           C  
-ATOM   4566  O   HIS B 779      -0.637  12.388  19.790  1.00 96.45           O  
-ATOM   4567  CG  HIS B 779      -4.379   9.593  19.679  1.00 96.45           C  
-ATOM   4568  CD2 HIS B 779      -5.626   9.769  19.185  1.00 96.45           C  
-ATOM   4569  ND1 HIS B 779      -4.473   8.587  20.617  1.00 96.45           N  
-ATOM   4570  CE1 HIS B 779      -5.728   8.173  20.684  1.00 96.45           C  
-ATOM   4571  NE2 HIS B 779      -6.448   8.874  19.825  1.00 96.45           N  
-ATOM   4572  N   GLU B 780      -0.227  10.389  20.726  1.00 94.27           N  
-ATOM   4573  CA  GLU B 780       1.229  10.455  20.640  1.00 94.27           C  
-ATOM   4574  C   GLU B 780       1.751   9.628  19.468  1.00 94.27           C  
-ATOM   4575  CB  GLU B 780       1.867   9.975  21.947  1.00 94.27           C  
-ATOM   4576  O   GLU B 780       2.950   9.634  19.183  1.00 94.27           O  
-ATOM   4577  CG  GLU B 780       1.544  10.853  23.147  1.00 94.27           C  
-ATOM   4578  CD  GLU B 780       2.148  10.341  24.445  1.00 94.27           C  
-ATOM   4579  OE1 GLU B 780       2.038  11.035  25.481  1.00 94.27           O  
-ATOM   4580  OE2 GLU B 780       2.738   9.237  24.425  1.00 94.27           O  
-ATOM   4581  N   SER B 781       0.891   8.856  18.867  1.00 95.95           N  
-ATOM   4582  CA  SER B 781       1.244   7.987  17.749  1.00 95.95           C  
-ATOM   4583  C   SER B 781       0.157   7.995  16.679  1.00 95.95           C  
-ATOM   4584  CB  SER B 781       1.481   6.557  18.235  1.00 95.95           C  
-ATOM   4585  O   SER B 781      -0.761   8.817  16.725  1.00 95.95           O  
-ATOM   4586  OG  SER B 781       2.072   5.770  17.215  1.00 95.95           O  
-ATOM   4587  N   ASP B 782       0.233   7.146  15.607  1.00 97.22           N  
-ATOM   4588  CA  ASP B 782      -0.656   7.076  14.451  1.00 97.22           C  
-ATOM   4589  C   ASP B 782      -2.090   6.773  14.878  1.00 97.22           C  
-ATOM   4590  CB  ASP B 782      -0.167   6.016  13.461  1.00 97.22           C  
-ATOM   4591  O   ASP B 782      -2.320   5.923  15.741  1.00 97.22           O  
-ATOM   4592  CG  ASP B 782       1.216   6.312  12.910  1.00 97.22           C  
-ATOM   4593  OD1 ASP B 782       1.756   7.408  13.174  1.00 97.22           O  
-ATOM   4594  OD2 ASP B 782       1.771   5.443  12.203  1.00 97.22           O  
-ATOM   4595  N   ILE B 783      -3.033   7.520  14.304  1.00 98.27           N  
-ATOM   4596  CA  ILE B 783      -4.450   7.219  14.471  1.00 98.27           C  
-ATOM   4597  C   ILE B 783      -4.888   6.198  13.424  1.00 98.27           C  
-ATOM   4598  CB  ILE B 783      -5.315   8.496  14.368  1.00 98.27           C  
-ATOM   4599  O   ILE B 783      -4.889   6.490  12.225  1.00 98.27           O  
-ATOM   4600  CG1 ILE B 783      -4.942   9.484  15.480  1.00 98.27           C  
-ATOM   4601  CG2 ILE B 783      -6.804   8.145  14.425  1.00 98.27           C  
-ATOM   4602  CD1 ILE B 783      -5.673  10.817  15.394  1.00 98.27           C  
-ATOM   4603  N   ASN B 784      -5.283   4.991  13.897  1.00 97.48           N  
-ATOM   4604  CA  ASN B 784      -5.580   3.886  12.992  1.00 97.48           C  
-ATOM   4605  C   ASN B 784      -7.076   3.775  12.713  1.00 97.48           C  
-ATOM   4606  CB  ASN B 784      -5.047   2.569  13.560  1.00 97.48           C  
-ATOM   4607  O   ASN B 784      -7.483   3.183  11.712  1.00 97.48           O  
-ATOM   4608  CG  ASN B 784      -3.537   2.561  13.700  1.00 97.48           C  
-ATOM   4609  ND2 ASN B 784      -3.052   2.166  14.871  1.00 97.48           N  
-ATOM   4610  OD1 ASN B 784      -2.813   2.908  12.763  1.00 97.48           O  
-ATOM   4611  N   ALA B 785      -7.930   4.212  13.645  1.00 97.80           N  
-ATOM   4612  CA  ALA B 785      -9.370   4.002  13.521  1.00 97.80           C  
-ATOM   4613  C   ALA B 785     -10.146   5.215  14.027  1.00 97.80           C  
-ATOM   4614  CB  ALA B 785      -9.793   2.748  14.282  1.00 97.80           C  
-ATOM   4615  O   ALA B 785      -9.757   5.840  15.017  1.00 97.80           O  
-ATOM   4616  N   ILE B 786     -11.184   5.507  13.327  1.00 98.00           N  
-ATOM   4617  CA  ILE B 786     -12.043   6.632  13.683  1.00 98.00           C  
-ATOM   4618  C   ILE B 786     -13.508   6.237  13.513  1.00 98.00           C  
-ATOM   4619  CB  ILE B 786     -11.722   7.879  12.830  1.00 98.00           C  
-ATOM   4620  O   ILE B 786     -13.857   5.506  12.583  1.00 98.00           O  
-ATOM   4621  CG1 ILE B 786     -12.437   9.112  13.397  1.00 98.00           C  
-ATOM   4622  CG2 ILE B 786     -12.108   7.647  11.366  1.00 98.00           C  
-ATOM   4623  CD1 ILE B 786     -11.889  10.436  12.883  1.00 98.00           C  
-ATOM   4624  N   CYS B 787     -14.375   6.730  14.429  1.00 97.93           N  
-ATOM   4625  CA  CYS B 787     -15.801   6.446  14.312  1.00 97.93           C  
-ATOM   4626  C   CYS B 787     -16.633   7.588  14.884  1.00 97.93           C  
-ATOM   4627  CB  CYS B 787     -16.148   5.141  15.028  1.00 97.93           C  
-ATOM   4628  O   CYS B 787     -16.398   8.029  16.010  1.00 97.93           O  
-ATOM   4629  SG  CYS B 787     -17.899   4.706  14.941  1.00 97.93           S  
-ATOM   4630  N   PHE B 788     -17.560   8.051  14.101  1.00 97.85           N  
-ATOM   4631  CA  PHE B 788     -18.472   9.087  14.572  1.00 97.85           C  
-ATOM   4632  C   PHE B 788     -19.383   8.549  15.669  1.00 97.85           C  
-ATOM   4633  CB  PHE B 788     -19.312   9.633  13.412  1.00 97.85           C  
-ATOM   4634  O   PHE B 788     -19.813   7.395  15.615  1.00 97.85           O  
-ATOM   4635  CG  PHE B 788     -18.769  10.903  12.816  1.00 97.85           C  
-ATOM   4636  CD1 PHE B 788     -18.930  12.119  13.469  1.00 97.85           C  
-ATOM   4637  CD2 PHE B 788     -18.098  10.882  11.600  1.00 97.85           C  
-ATOM   4638  CE1 PHE B 788     -18.428  13.296  12.919  1.00 97.85           C  
-ATOM   4639  CE2 PHE B 788     -17.595  12.054  11.044  1.00 97.85           C  
-ATOM   4640  CZ  PHE B 788     -17.762  13.260  11.704  1.00 97.85           C  
-ATOM   4641  N   PHE B 789     -19.643   9.407  16.625  1.00 97.42           N  
-ATOM   4642  CA  PHE B 789     -20.656   9.130  17.636  1.00 97.42           C  
-ATOM   4643  C   PHE B 789     -22.049   9.122  17.018  1.00 97.42           C  
-ATOM   4644  CB  PHE B 789     -20.589  10.164  18.765  1.00 97.42           C  
-ATOM   4645  O   PHE B 789     -22.318   9.861  16.069  1.00 97.42           O  
-ATOM   4646  CG  PHE B 789     -21.275   9.726  20.031  1.00 97.42           C  
-ATOM   4647  CD1 PHE B 789     -22.528  10.224  20.366  1.00 97.42           C  
-ATOM   4648  CD2 PHE B 789     -20.666   8.817  20.886  1.00 97.42           C  
-ATOM   4649  CE1 PHE B 789     -23.166   9.821  21.537  1.00 97.42           C  
-ATOM   4650  CE2 PHE B 789     -21.297   8.409  22.058  1.00 97.42           C  
-ATOM   4651  CZ  PHE B 789     -22.546   8.914  22.382  1.00 97.42           C  
-ATOM   4652  N   PRO B 790     -22.992   8.269  17.516  1.00 95.57           N  
-ATOM   4653  CA  PRO B 790     -24.282   8.037  16.861  1.00 95.57           C  
-ATOM   4654  C   PRO B 790     -25.060   9.328  16.617  1.00 95.57           C  
-ATOM   4655  CB  PRO B 790     -25.021   7.132  17.850  1.00 95.57           C  
-ATOM   4656  O   PRO B 790     -25.727   9.466  15.588  1.00 95.57           O  
-ATOM   4657  CG  PRO B 790     -23.947   6.331  18.512  1.00 95.57           C  
-ATOM   4658  CD  PRO B 790     -22.754   7.218  18.725  1.00 95.57           C  
-ATOM   4659  N   ASN B 791     -24.924  10.318  17.461  1.00 94.31           N  
-ATOM   4660  CA  ASN B 791     -25.714  11.535  17.310  1.00 94.31           C  
-ATOM   4661  C   ASN B 791     -25.014  12.550  16.410  1.00 94.31           C  
-ATOM   4662  CB  ASN B 791     -26.011  12.155  18.677  1.00 94.31           C  
-ATOM   4663  O   ASN B 791     -25.563  13.615  16.124  1.00 94.31           O  
-ATOM   4664  CG  ASN B 791     -24.762  12.648  19.380  1.00 94.31           C  
-ATOM   4665  ND2 ASN B 791     -24.917  13.099  20.619  1.00 94.31           N  
-ATOM   4666  OD1 ASN B 791     -23.666  12.624  18.814  1.00 94.31           O  
-ATOM   4667  N   GLY B 792     -23.696  12.279  16.066  1.00 95.66           N  
-ATOM   4668  CA  GLY B 792     -23.001  13.072  15.063  1.00 95.66           C  
-ATOM   4669  C   GLY B 792     -22.274  14.269  15.648  1.00 95.66           C  
-ATOM   4670  O   GLY B 792     -21.696  15.070  14.911  1.00 95.66           O  
-ATOM   4671  N   ASN B 793     -22.294  14.431  16.946  1.00 95.88           N  
-ATOM   4672  CA  ASN B 793     -21.697  15.601  17.581  1.00 95.88           C  
-ATOM   4673  C   ASN B 793     -20.344  15.271  18.205  1.00 95.88           C  
-ATOM   4674  CB  ASN B 793     -22.641  16.180  18.636  1.00 95.88           C  
-ATOM   4675  O   ASN B 793     -19.678  16.150  18.754  1.00 95.88           O  
-ATOM   4676  CG  ASN B 793     -23.879  16.811  18.029  1.00 95.88           C  
-ATOM   4677  ND2 ASN B 793     -25.001  16.714  18.733  1.00 95.88           N  
-ATOM   4678  OD1 ASN B 793     -23.827  17.382  16.936  1.00 95.88           O  
-ATOM   4679  N   ALA B 794     -19.917  14.066  18.177  1.00 97.52           N  
-ATOM   4680  CA  ALA B 794     -18.648  13.603  18.732  1.00 97.52           C  
-ATOM   4681  C   ALA B 794     -18.081  12.447  17.914  1.00 97.52           C  
-ATOM   4682  CB  ALA B 794     -18.826  13.183  20.189  1.00 97.52           C  
-ATOM   4683  O   ALA B 794     -18.771  11.885  17.060  1.00 97.52           O  
-ATOM   4684  N   PHE B 795     -16.869  12.138  18.205  1.00 98.26           N  
-ATOM   4685  CA  PHE B 795     -16.258  10.986  17.551  1.00 98.26           C  
-ATOM   4686  C   PHE B 795     -15.145  10.403  18.413  1.00 98.26           C  
-ATOM   4687  CB  PHE B 795     -15.709  11.377  16.176  1.00 98.26           C  
-ATOM   4688  O   PHE B 795     -14.619  11.079  19.299  1.00 98.26           O  
-ATOM   4689  CG  PHE B 795     -14.596  12.389  16.232  1.00 98.26           C  
-ATOM   4690  CD1 PHE B 795     -14.876  13.750  16.247  1.00 98.26           C  
-ATOM   4691  CD2 PHE B 795     -13.270  11.978  16.268  1.00 98.26           C  
-ATOM   4692  CE1 PHE B 795     -13.848  14.688  16.299  1.00 98.26           C  
-ATOM   4693  CE2 PHE B 795     -12.237  12.911  16.320  1.00 98.26           C  
-ATOM   4694  CZ  PHE B 795     -12.529  14.265  16.334  1.00 98.26           C  
-ATOM   4695  N   ALA B 796     -14.827   9.125  18.140  1.00 98.43           N  
-ATOM   4696  CA  ALA B 796     -13.762   8.445  18.873  1.00 98.43           C  
-ATOM   4697  C   ALA B 796     -12.633   8.024  17.936  1.00 98.43           C  
-ATOM   4698  CB  ALA B 796     -14.316   7.230  19.613  1.00 98.43           C  
-ATOM   4699  O   ALA B 796     -12.873   7.701  16.771  1.00 98.43           O  
-ATOM   4700  N   THR B 797     -11.438   8.023  18.485  1.00 98.57           N  
-ATOM   4701  CA  THR B 797     -10.259   7.593  17.740  1.00 98.57           C  
-ATOM   4702  C   THR B 797      -9.530   6.475  18.480  1.00 98.57           C  
-ATOM   4703  CB  THR B 797      -9.293   8.767  17.498  1.00 98.57           C  
-ATOM   4704  O   THR B 797      -9.567   6.411  19.710  1.00 98.57           O  
-ATOM   4705  CG2 THR B 797      -9.982   9.901  16.746  1.00 98.57           C  
-ATOM   4706  OG1 THR B 797      -8.824   9.261  18.759  1.00 98.57           O  
-ATOM   4707  N   GLY B 798      -8.977   5.575  17.722  1.00 98.19           N  
-ATOM   4708  CA  GLY B 798      -8.049   4.563  18.201  1.00 98.19           C  
-ATOM   4709  C   GLY B 798      -6.651   4.720  17.634  1.00 98.19           C  
-ATOM   4710  O   GLY B 798      -6.478   4.847  16.420  1.00 98.19           O  
-ATOM   4711  N   SER B 799      -5.608   4.532  18.499  1.00 98.17           N  
-ATOM   4712  CA  SER B 799      -4.260   4.904  18.081  1.00 98.17           C  
-ATOM   4713  C   SER B 799      -3.245   3.835  18.472  1.00 98.17           C  
-ATOM   4714  CB  SER B 799      -3.860   6.246  18.695  1.00 98.17           C  
-ATOM   4715  O   SER B 799      -3.516   3.001  19.339  1.00 98.17           O  
-ATOM   4716  OG  SER B 799      -2.500   6.539  18.422  1.00 98.17           O  
-ATOM   4717  N   ASP B 800      -2.041   3.963  17.839  1.00 96.24           N  
-ATOM   4718  CA  ASP B 800      -0.912   3.093  18.153  1.00 96.24           C  
-ATOM   4719  C   ASP B 800      -0.359   3.392  19.545  1.00 96.24           C  
-ATOM   4720  CB  ASP B 800       0.192   3.247  17.105  1.00 96.24           C  
-ATOM   4721  O   ASP B 800       0.490   2.656  20.053  1.00 96.24           O  
-ATOM   4722  CG  ASP B 800      -0.111   2.509  15.812  1.00 96.24           C  
-ATOM   4723  OD1 ASP B 800      -0.991   1.621  15.809  1.00 96.24           O  
-ATOM   4724  OD2 ASP B 800       0.537   2.817  14.789  1.00 96.24           O  
-ATOM   4725  N   ASP B 801      -0.830   4.393  20.188  1.00 95.65           N  
-ATOM   4726  CA  ASP B 801      -0.395   4.712  21.545  1.00 95.65           C  
-ATOM   4727  C   ASP B 801      -1.221   3.952  22.580  1.00 95.65           C  
-ATOM   4728  CB  ASP B 801      -0.489   6.218  21.799  1.00 95.65           C  
-ATOM   4729  O   ASP B 801      -1.157   4.251  23.774  1.00 95.65           O  
-ATOM   4730  CG  ASP B 801      -1.917   6.732  21.793  1.00 95.65           C  
-ATOM   4731  OD1 ASP B 801      -2.860   5.913  21.738  1.00 95.65           O  
-ATOM   4732  OD2 ASP B 801      -2.102   7.967  21.842  1.00 95.65           O  
-ATOM   4733  N   ALA B 802      -2.011   3.078  22.136  1.00 95.57           N  
-ATOM   4734  CA  ALA B 802      -2.779   2.116  22.922  1.00 95.57           C  
-ATOM   4735  C   ALA B 802      -3.968   2.788  23.603  1.00 95.57           C  
-ATOM   4736  CB  ALA B 802      -1.885   1.443  23.961  1.00 95.57           C  
-ATOM   4737  O   ALA B 802      -4.502   2.271  24.587  1.00 95.57           O  
-ATOM   4738  N   THR B 803      -4.386   3.964  23.142  1.00 97.61           N  
-ATOM   4739  CA  THR B 803      -5.511   4.671  23.743  1.00 97.61           C  
-ATOM   4740  C   THR B 803      -6.591   4.954  22.702  1.00 97.61           C  
-ATOM   4741  CB  THR B 803      -5.060   5.993  24.390  1.00 97.61           C  
-ATOM   4742  O   THR B 803      -6.294   5.092  21.513  1.00 97.61           O  
-ATOM   4743  CG2 THR B 803      -3.945   5.757  25.403  1.00 97.61           C  
-ATOM   4744  OG1 THR B 803      -4.582   6.879  23.369  1.00 97.61           O  
-ATOM   4745  N   CYS B 804      -7.902   4.901  23.216  1.00 97.99           N  
-ATOM   4746  CA  CYS B 804      -9.004   5.546  22.510  1.00 97.99           C  
-ATOM   4747  C   CYS B 804      -9.260   6.944  23.061  1.00 97.99           C  
-ATOM   4748  CB  CYS B 804     -10.275   4.705  22.617  1.00 97.99           C  
-ATOM   4749  O   CYS B 804      -9.112   7.180  24.261  1.00 97.99           O  
-ATOM   4750  SG  CYS B 804     -10.132   3.070  21.864  1.00 97.99           S  
-ATOM   4751  N   ARG B 805      -9.643   7.808  22.187  1.00 98.10           N  
-ATOM   4752  CA  ARG B 805      -9.980   9.153  22.643  1.00 98.10           C  
-ATOM   4753  C   ARG B 805     -11.336   9.592  22.099  1.00 98.10           C  
-ATOM   4754  CB  ARG B 805      -8.899  10.150  22.222  1.00 98.10           C  
-ATOM   4755  O   ARG B 805     -11.667   9.315  20.944  1.00 98.10           O  
-ATOM   4756  CG  ARG B 805      -7.551   9.914  22.885  1.00 98.10           C  
-ATOM   4757  CD  ARG B 805      -6.555  11.013  22.543  1.00 98.10           C  
-ATOM   4758  NE  ARG B 805      -5.258  10.779  23.173  1.00 98.10           N  
-ATOM   4759  NH1 ARG B 805      -4.669  13.011  23.267  1.00 98.10           N  
-ATOM   4760  NH2 ARG B 805      -3.240  11.409  24.071  1.00 98.10           N  
-ATOM   4761  CZ  ARG B 805      -4.392  11.734  23.502  1.00 98.10           C  
-ATOM   4762  N   LEU B 806     -12.103  10.220  22.963  1.00 98.13           N  
-ATOM   4763  CA  LEU B 806     -13.402  10.774  22.595  1.00 98.13           C  
-ATOM   4764  C   LEU B 806     -13.321  12.288  22.433  1.00 98.13           C  
-ATOM   4765  CB  LEU B 806     -14.454  10.417  23.648  1.00 98.13           C  
-ATOM   4766  O   LEU B 806     -12.904  12.994  23.354  1.00 98.13           O  
-ATOM   4767  CG  LEU B 806     -15.874  10.924  23.386  1.00 98.13           C  
-ATOM   4768  CD1 LEU B 806     -16.436  10.294  22.117  1.00 98.13           C  
-ATOM   4769  CD2 LEU B 806     -16.775  10.629  24.580  1.00 98.13           C  
-ATOM   4770  N   PHE B 807     -13.744  12.774  21.273  1.00 97.25           N  
-ATOM   4771  CA  PHE B 807     -13.708  14.194  20.943  1.00 97.25           C  
-ATOM   4772  C   PHE B 807     -15.112  14.723  20.678  1.00 97.25           C  
-ATOM   4773  CB  PHE B 807     -12.815  14.442  19.724  1.00 97.25           C  
-ATOM   4774  O   PHE B 807     -15.928  14.047  20.047  1.00 97.25           O  
-ATOM   4775  CG  PHE B 807     -11.383  14.023  19.925  1.00 97.25           C  
-ATOM   4776  CD1 PHE B 807     -10.454  14.907  20.460  1.00 97.25           C  
-ATOM   4777  CD2 PHE B 807     -10.967  12.744  19.579  1.00 97.25           C  
-ATOM   4778  CE1 PHE B 807      -9.129  14.522  20.647  1.00 97.25           C  
-ATOM   4779  CE2 PHE B 807      -9.644  12.352  19.763  1.00 97.25           C  
-ATOM   4780  CZ  PHE B 807      -8.726  13.243  20.296  1.00 97.25           C  
-ATOM   4781  N   ASP B 808     -15.354  15.891  21.132  1.00 94.93           N  
-ATOM   4782  CA  ASP B 808     -16.627  16.560  20.886  1.00 94.93           C  
-ATOM   4783  C   ASP B 808     -16.459  17.717  19.904  1.00 94.93           C  
-ATOM   4784  CB  ASP B 808     -17.229  17.068  22.198  1.00 94.93           C  
-ATOM   4785  O   ASP B 808     -15.554  18.541  20.056  1.00 94.93           O  
-ATOM   4786  CG  ASP B 808     -18.656  17.564  22.043  1.00 94.93           C  
-ATOM   4787  OD1 ASP B 808     -18.856  18.746  21.687  1.00 94.93           O  
-ATOM   4788  OD2 ASP B 808     -19.589  16.767  22.282  1.00 94.93           O  
-ATOM   4789  N   LEU B 809     -17.381  17.773  18.921  1.00 95.05           N  
-ATOM   4790  CA  LEU B 809     -17.271  18.795  17.886  1.00 95.05           C  
-ATOM   4791  C   LEU B 809     -17.659  20.165  18.431  1.00 95.05           C  
-ATOM   4792  CB  LEU B 809     -18.155  18.441  16.687  1.00 95.05           C  
-ATOM   4793  O   LEU B 809     -17.060  21.178  18.062  1.00 95.05           O  
-ATOM   4794  CG  LEU B 809     -17.819  17.139  15.958  1.00 95.05           C  
-ATOM   4795  CD1 LEU B 809     -18.741  16.951  14.758  1.00 95.05           C  
-ATOM   4796  CD2 LEU B 809     -16.358  17.133  15.522  1.00 95.05           C  
-ATOM   4797  N   ARG B 810     -18.523  20.200  19.366  1.00 92.20           N  
-ATOM   4798  CA  ARG B 810     -19.053  21.453  19.894  1.00 92.20           C  
-ATOM   4799  C   ARG B 810     -18.090  22.074  20.900  1.00 92.20           C  
-ATOM   4800  CB  ARG B 810     -20.419  21.228  20.546  1.00 92.20           C  
-ATOM   4801  O   ARG B 810     -17.907  23.293  20.923  1.00 92.20           O  
-ATOM   4802  CG  ARG B 810     -21.470  20.673  19.598  1.00 92.20           C  
-ATOM   4803  CD  ARG B 810     -22.728  20.244  20.340  1.00 92.20           C  
-ATOM   4804  NE  ARG B 810     -22.457  19.158  21.277  1.00 92.20           N  
-ATOM   4805  NH1 ARG B 810     -24.619  19.034  22.080  1.00 92.20           N  
-ATOM   4806  NH2 ARG B 810     -23.006  17.625  22.896  1.00 92.20           N  
-ATOM   4807  CZ  ARG B 810     -23.361  18.608  22.082  1.00 92.20           C  
-ATOM   4808  N   ALA B 811     -17.529  21.173  21.642  1.00 88.82           N  
-ATOM   4809  CA  ALA B 811     -16.584  21.628  22.659  1.00 88.82           C  
-ATOM   4810  C   ALA B 811     -15.196  21.841  22.062  1.00 88.82           C  
-ATOM   4811  CB  ALA B 811     -16.517  20.626  23.809  1.00 88.82           C  
-ATOM   4812  O   ALA B 811     -14.340  22.479  22.679  1.00 88.82           O  
-ATOM   4813  N   ASP B 812     -15.052  21.411  20.810  1.00 89.48           N  
-ATOM   4814  CA  ASP B 812     -13.788  21.484  20.083  1.00 89.48           C  
-ATOM   4815  C   ASP B 812     -12.626  21.008  20.951  1.00 89.48           C  
-ATOM   4816  CB  ASP B 812     -13.530  22.911  19.596  1.00 89.48           C  
-ATOM   4817  O   ASP B 812     -11.592  21.674  21.034  1.00 89.48           O  
-ATOM   4818  CG  ASP B 812     -12.446  22.990  18.535  1.00 89.48           C  
-ATOM   4819  OD1 ASP B 812     -12.190  21.977  17.849  1.00 89.48           O  
-ATOM   4820  OD2 ASP B 812     -11.841  24.073  18.387  1.00 89.48           O  
-ATOM   4821  N   GLN B 813     -12.767  19.893  21.661  1.00 89.43           N  
-ATOM   4822  CA  GLN B 813     -11.716  19.353  22.518  1.00 89.43           C  
-ATOM   4823  C   GLN B 813     -11.920  17.860  22.763  1.00 89.43           C  
-ATOM   4824  CB  GLN B 813     -11.671  20.102  23.850  1.00 89.43           C  
-ATOM   4825  O   GLN B 813     -12.999  17.325  22.503  1.00 89.43           O  
-ATOM   4826  CG  GLN B 813     -12.924  19.927  24.698  1.00 89.43           C  
-ATOM   4827  CD  GLN B 813     -12.875  20.722  25.989  1.00 89.43           C  
-ATOM   4828  NE2 GLN B 813     -14.011  20.813  26.672  1.00 89.43           N  
-ATOM   4829  OE1 GLN B 813     -11.825  21.248  26.370  1.00 89.43           O  
-ATOM   4830  N   GLU B 814     -10.884  17.297  23.314  1.00 93.71           N  
-ATOM   4831  CA  GLU B 814     -10.925  15.923  23.805  1.00 93.71           C  
-ATOM   4832  C   GLU B 814     -11.717  15.825  25.105  1.00 93.71           C  
-ATOM   4833  CB  GLU B 814      -9.507  15.383  24.010  1.00 93.71           C  
-ATOM   4834  O   GLU B 814     -11.484  16.594  26.040  1.00 93.71           O  
-ATOM   4835  CG  GLU B 814      -9.463  13.975  24.586  1.00 93.71           C  
-ATOM   4836  CD  GLU B 814      -8.062  13.528  24.971  1.00 93.71           C  
-ATOM   4837  OE1 GLU B 814      -7.839  13.179  26.153  1.00 93.71           O  
-ATOM   4838  OE2 GLU B 814      -7.179  13.528  24.084  1.00 93.71           O  
-ATOM   4839  N   LEU B 815     -12.709  14.827  25.190  1.00 94.08           N  
-ATOM   4840  CA  LEU B 815     -13.568  14.701  26.362  1.00 94.08           C  
-ATOM   4841  C   LEU B 815     -13.042  13.628  27.309  1.00 94.08           C  
-ATOM   4842  CB  LEU B 815     -15.002  14.368  25.942  1.00 94.08           C  
-ATOM   4843  O   LEU B 815     -13.162  13.758  28.530  1.00 94.08           O  
-ATOM   4844  CG  LEU B 815     -15.730  15.429  25.114  1.00 94.08           C  
-ATOM   4845  CD1 LEU B 815     -17.167  14.997  24.844  1.00 94.08           C  
-ATOM   4846  CD2 LEU B 815     -15.695  16.778  25.824  1.00 94.08           C  
-ATOM   4847  N   MET B 816     -12.480  12.568  26.744  1.00 95.65           N  
-ATOM   4848  CA  MET B 816     -12.128  11.413  27.565  1.00 95.65           C  
-ATOM   4849  C   MET B 816     -11.069  10.559  26.878  1.00 95.65           C  
-ATOM   4850  CB  MET B 816     -13.368  10.569  27.865  1.00 95.65           C  
-ATOM   4851  O   MET B 816     -11.010  10.506  25.648  1.00 95.65           O  
-ATOM   4852  CG  MET B 816     -13.152   9.526  28.950  1.00 95.65           C  
-ATOM   4853  SD  MET B 816     -13.260  10.235  30.638  1.00 95.65           S  
-ATOM   4854  CE  MET B 816     -11.831  11.353  30.608  1.00 95.65           C  
-ATOM   4855  N   THR B 817     -10.163   9.911  27.753  1.00 97.12           N  
-ATOM   4856  CA  THR B 817      -9.179   8.934  27.304  1.00 97.12           C  
-ATOM   4857  C   THR B 817      -9.481   7.555  27.886  1.00 97.12           C  
-ATOM   4858  CB  THR B 817      -7.751   9.357  27.697  1.00 97.12           C  
-ATOM   4859  O   THR B 817      -9.710   7.420  29.089  1.00 97.12           O  
-ATOM   4860  CG2 THR B 817      -6.720   8.355  27.189  1.00 97.12           C  
-ATOM   4861  OG1 THR B 817      -7.469  10.644  27.133  1.00 97.12           O  
-ATOM   4862  N   TYR B 818      -9.569   6.604  26.963  1.00 97.18           N  
-ATOM   4863  CA  TYR B 818      -9.805   5.221  27.364  1.00 97.18           C  
-ATOM   4864  C   TYR B 818      -8.519   4.406  27.293  1.00 97.18           C  
-ATOM   4865  CB  TYR B 818     -10.878   4.580  26.479  1.00 97.18           C  
-ATOM   4866  O   TYR B 818      -7.994   4.155  26.206  1.00 97.18           O  
-ATOM   4867  CG  TYR B 818     -12.146   5.392  26.379  1.00 97.18           C  
-ATOM   4868  CD1 TYR B 818     -13.233   5.127  27.209  1.00 97.18           C  
-ATOM   4869  CD2 TYR B 818     -12.261   6.425  25.454  1.00 97.18           C  
-ATOM   4870  CE1 TYR B 818     -14.405   5.872  27.119  1.00 97.18           C  
-ATOM   4871  CE2 TYR B 818     -13.428   7.176  25.355  1.00 97.18           C  
-ATOM   4872  OH  TYR B 818     -15.650   7.632  26.098  1.00 97.18           O  
-ATOM   4873  CZ  TYR B 818     -14.493   6.892  26.191  1.00 97.18           C  
-ATOM   4874  N   SER B 819      -8.041   3.978  28.462  1.00 95.37           N  
-ATOM   4875  CA  SER B 819      -6.780   3.249  28.543  1.00 95.37           C  
-ATOM   4876  C   SER B 819      -6.766   2.301  29.738  1.00 95.37           C  
-ATOM   4877  CB  SER B 819      -5.603   4.220  28.639  1.00 95.37           C  
-ATOM   4878  O   SER B 819      -7.556   2.457  30.670  1.00 95.37           O  
-ATOM   4879  OG  SER B 819      -5.661   4.963  29.844  1.00 95.37           O  
-ATOM   4880  N   HIS B 820      -5.955   1.270  29.595  1.00 93.05           N  
-ATOM   4881  CA  HIS B 820      -5.723   0.301  30.661  1.00 93.05           C  
-ATOM   4882  C   HIS B 820      -4.245  -0.062  30.762  1.00 93.05           C  
-ATOM   4883  CB  HIS B 820      -6.559  -0.959  30.431  1.00 93.05           C  
-ATOM   4884  O   HIS B 820      -3.563  -0.194  29.744  1.00 93.05           O  
-ATOM   4885  CG  HIS B 820      -6.686  -1.824  31.644  1.00 93.05           C  
-ATOM   4886  CD2 HIS B 820      -7.721  -2.014  32.496  1.00 93.05           C  
-ATOM   4887  ND1 HIS B 820      -5.659  -2.620  32.101  1.00 93.05           N  
-ATOM   4888  CE1 HIS B 820      -6.058  -3.265  33.184  1.00 93.05           C  
-ATOM   4889  NE2 HIS B 820      -7.306  -2.915  33.445  1.00 93.05           N  
-ATOM   4890  N   ASP B 821      -3.714  -0.235  32.039  1.00 88.81           N  
-ATOM   4891  CA  ASP B 821      -2.296  -0.451  32.315  1.00 88.81           C  
-ATOM   4892  C   ASP B 821      -1.798  -1.735  31.655  1.00 88.81           C  
-ATOM   4893  CB  ASP B 821      -2.045  -0.502  33.823  1.00 88.81           C  
-ATOM   4894  O   ASP B 821      -0.623  -1.841  31.300  1.00 88.81           O  
-ATOM   4895  CG  ASP B 821      -2.142   0.860  34.487  1.00 88.81           C  
-ATOM   4896  OD1 ASP B 821      -2.093   1.889  33.779  1.00 88.81           O  
-ATOM   4897  OD2 ASP B 821      -2.266   0.904  35.730  1.00 88.81           O  
-ATOM   4898  N   ASN B 822      -2.691  -2.620  31.359  1.00 87.49           N  
-ATOM   4899  CA  ASN B 822      -2.315  -3.928  30.833  1.00 87.49           C  
-ATOM   4900  C   ASN B 822      -2.436  -3.976  29.312  1.00 87.49           C  
-ATOM   4901  CB  ASN B 822      -3.168  -5.028  31.468  1.00 87.49           C  
-ATOM   4902  O   ASN B 822      -2.091  -4.982  28.689  1.00 87.49           O  
-ATOM   4903  CG  ASN B 822      -2.872  -5.218  32.943  1.00 87.49           C  
-ATOM   4904  ND2 ASN B 822      -3.873  -5.658  33.697  1.00 87.49           N  
-ATOM   4905  OD1 ASN B 822      -1.753  -4.971  33.401  1.00 87.49           O  
-ATOM   4906  N   ILE B 823      -2.816  -2.870  28.712  1.00 89.39           N  
-ATOM   4907  CA  ILE B 823      -2.950  -2.795  27.261  1.00 89.39           C  
-ATOM   4908  C   ILE B 823      -1.847  -1.909  26.687  1.00 89.39           C  
-ATOM   4909  CB  ILE B 823      -4.338  -2.257  26.849  1.00 89.39           C  
-ATOM   4910  O   ILE B 823      -1.818  -0.701  26.937  1.00 89.39           O  
-ATOM   4911  CG1 ILE B 823      -5.447  -3.155  27.409  1.00 89.39           C  
-ATOM   4912  CG2 ILE B 823      -4.443  -2.144  25.325  1.00 89.39           C  
-ATOM   4913  CD1 ILE B 823      -6.852  -2.608  27.202  1.00 89.39           C  
-ATOM   4914  N   ILE B 824      -0.921  -2.531  25.934  1.00 88.33           N  
-ATOM   4915  CA  ILE B 824       0.202  -1.766  25.404  1.00 88.33           C  
-ATOM   4916  C   ILE B 824       0.235  -1.886  23.882  1.00 88.33           C  
-ATOM   4917  CB  ILE B 824       1.543  -2.238  26.008  1.00 88.33           C  
-ATOM   4918  O   ILE B 824       1.109  -1.313  23.227  1.00 88.33           O  
-ATOM   4919  CG1 ILE B 824       1.726  -3.744  25.791  1.00 88.33           C  
-ATOM   4920  CG2 ILE B 824       1.619  -1.886  27.497  1.00 88.33           C  
-ATOM   4921  CD1 ILE B 824       3.119  -4.254  26.135  1.00 88.33           C  
-ATOM   4922  N   CYS B 825      -0.723  -2.528  23.365  1.00 90.95           N  
-ATOM   4923  CA  CYS B 825      -0.777  -2.785  21.930  1.00 90.95           C  
-ATOM   4924  C   CYS B 825      -1.638  -1.746  21.222  1.00 90.95           C  
-ATOM   4925  CB  CYS B 825      -1.323  -4.186  21.657  1.00 90.95           C  
-ATOM   4926  O   CYS B 825      -2.503  -1.125  21.842  1.00 90.95           O  
-ATOM   4927  SG  CYS B 825      -0.473  -5.491  22.571  1.00 90.95           S  
-ATOM   4928  N   GLY B 826      -1.360  -1.490  19.953  1.00 93.33           N  
-ATOM   4929  CA  GLY B 826      -2.059  -0.492  19.159  1.00 93.33           C  
-ATOM   4930  C   GLY B 826      -3.499  -0.866  18.865  1.00 93.33           C  
-ATOM   4931  O   GLY B 826      -3.829  -2.049  18.755  1.00 93.33           O  
-ATOM   4932  N   ILE B 827      -4.322   0.094  18.732  1.00 97.48           N  
-ATOM   4933  CA  ILE B 827      -5.738  -0.067  18.417  1.00 97.48           C  
-ATOM   4934  C   ILE B 827      -5.928  -0.109  16.903  1.00 97.48           C  
-ATOM   4935  CB  ILE B 827      -6.586   1.069  19.032  1.00 97.48           C  
-ATOM   4936  O   ILE B 827      -5.395   0.737  16.180  1.00 97.48           O  
-ATOM   4937  CG1 ILE B 827      -6.480   1.046  20.562  1.00 97.48           C  
-ATOM   4938  CG2 ILE B 827      -8.046   0.958  18.582  1.00 97.48           C  
-ATOM   4939  CD1 ILE B 827      -7.094   2.261  21.243  1.00 97.48           C  
-ATOM   4940  N   THR B 828      -6.736  -1.073  16.455  1.00 97.05           N  
-ATOM   4941  CA  THR B 828      -6.854  -1.277  15.016  1.00 97.05           C  
-ATOM   4942  C   THR B 828      -8.238  -0.865  14.522  1.00 97.05           C  
-ATOM   4943  CB  THR B 828      -6.587  -2.746  14.636  1.00 97.05           C  
-ATOM   4944  O   THR B 828      -8.420  -0.575  13.338  1.00 97.05           O  
-ATOM   4945  CG2 THR B 828      -5.152  -3.146  14.963  1.00 97.05           C  
-ATOM   4946  OG1 THR B 828      -7.485  -3.592  15.365  1.00 97.05           O  
-ATOM   4947  N   SER B 829      -9.275  -0.913  15.340  1.00 97.72           N  
-ATOM   4948  CA  SER B 829     -10.638  -0.570  14.946  1.00 97.72           C  
-ATOM   4949  C   SER B 829     -11.458  -0.102  16.144  1.00 97.72           C  
-ATOM   4950  CB  SER B 829     -11.323  -1.767  14.285  1.00 97.72           C  
-ATOM   4951  O   SER B 829     -11.187  -0.495  17.280  1.00 97.72           O  
-ATOM   4952  OG  SER B 829     -11.396  -2.862  15.182  1.00 97.72           O  
-ATOM   4953  N   VAL B 830     -12.437   0.788  15.883  1.00 98.21           N  
-ATOM   4954  CA  VAL B 830     -13.305   1.301  16.938  1.00 98.21           C  
-ATOM   4955  C   VAL B 830     -14.741   1.395  16.426  1.00 98.21           C  
-ATOM   4956  CB  VAL B 830     -12.828   2.681  17.444  1.00 98.21           C  
-ATOM   4957  O   VAL B 830     -14.969   1.632  15.238  1.00 98.21           O  
-ATOM   4958  CG1 VAL B 830     -11.463   2.566  18.119  1.00 98.21           C  
-ATOM   4959  CG2 VAL B 830     -12.775   3.682  16.292  1.00 98.21           C  
-ATOM   4960  N   SER B 831     -15.724   1.182  17.303  1.00 98.11           N  
-ATOM   4961  CA  SER B 831     -17.139   1.345  16.988  1.00 98.11           C  
-ATOM   4962  C   SER B 831     -17.957   1.618  18.245  1.00 98.11           C  
-ATOM   4963  CB  SER B 831     -17.678   0.102  16.279  1.00 98.11           C  
-ATOM   4964  O   SER B 831     -17.626   1.128  19.326  1.00 98.11           O  
-ATOM   4965  OG  SER B 831     -18.971   0.344  15.752  1.00 98.11           O  
-ATOM   4966  N   PHE B 832     -19.017   2.418  18.084  1.00 98.07           N  
-ATOM   4967  CA  PHE B 832     -19.931   2.678  19.190  1.00 98.07           C  
-ATOM   4968  C   PHE B 832     -21.131   1.741  19.133  1.00 98.07           C  
-ATOM   4969  CB  PHE B 832     -20.403   4.136  19.168  1.00 98.07           C  
-ATOM   4970  O   PHE B 832     -21.572   1.354  18.049  1.00 98.07           O  
-ATOM   4971  CG  PHE B 832     -19.398   5.107  19.726  1.00 98.07           C  
-ATOM   4972  CD1 PHE B 832     -19.176   5.190  21.095  1.00 98.07           C  
-ATOM   4973  CD2 PHE B 832     -18.674   5.938  18.880  1.00 98.07           C  
-ATOM   4974  CE1 PHE B 832     -18.247   6.089  21.614  1.00 98.07           C  
-ATOM   4975  CE2 PHE B 832     -17.744   6.839  19.392  1.00 98.07           C  
-ATOM   4976  CZ  PHE B 832     -17.533   6.913  20.759  1.00 98.07           C  
-ATOM   4977  N   SER B 833     -21.624   1.398  20.350  1.00 97.02           N  
-ATOM   4978  CA  SER B 833     -22.972   0.840  20.376  1.00 97.02           C  
-ATOM   4979  C   SER B 833     -24.001   1.857  19.894  1.00 97.02           C  
-ATOM   4980  CB  SER B 833     -23.330   0.369  21.786  1.00 97.02           C  
-ATOM   4981  O   SER B 833     -23.744   3.063  19.909  1.00 97.02           O  
-ATOM   4982  OG  SER B 833     -23.391   1.465  22.682  1.00 97.02           O  
-ATOM   4983  N   LYS B 834     -25.126   1.343  19.406  1.00 95.16           N  
-ATOM   4984  CA  LYS B 834     -26.144   2.237  18.862  1.00 95.16           C  
-ATOM   4985  C   LYS B 834     -26.579   3.269  19.898  1.00 95.16           C  
-ATOM   4986  CB  LYS B 834     -27.355   1.440  18.375  1.00 95.16           C  
-ATOM   4987  O   LYS B 834     -26.857   4.421  19.556  1.00 95.16           O  
-ATOM   4988  CG  LYS B 834     -28.416   2.286  17.686  1.00 95.16           C  
-ATOM   4989  CD  LYS B 834     -27.918   2.830  16.353  1.00 95.16           C  
-ATOM   4990  CE  LYS B 834     -29.012   3.587  15.613  1.00 95.16           C  
-ATOM   4991  NZ  LYS B 834     -28.523   4.139  14.314  1.00 95.16           N  
-ATOM   4992  N   SER B 835     -26.594   2.924  21.210  1.00 94.95           N  
-ATOM   4993  CA  SER B 835     -26.963   3.827  22.295  1.00 94.95           C  
-ATOM   4994  C   SER B 835     -25.863   4.850  22.561  1.00 94.95           C  
-ATOM   4995  CB  SER B 835     -27.259   3.040  23.572  1.00 94.95           C  
-ATOM   4996  O   SER B 835     -26.110   5.889  23.177  1.00 94.95           O  
-ATOM   4997  OG  SER B 835     -26.080   2.433  24.073  1.00 94.95           O  
-ATOM   4998  N   GLY B 836     -24.634   4.506  22.145  1.00 95.64           N  
-ATOM   4999  CA  GLY B 836     -23.488   5.360  22.415  1.00 95.64           C  
-ATOM   5000  C   GLY B 836     -22.884   5.131  23.788  1.00 95.64           C  
-ATOM   5001  O   GLY B 836     -21.916   5.795  24.165  1.00 95.64           O  
-ATOM   5002  N   ARG B 837     -23.449   4.143  24.528  1.00 95.76           N  
-ATOM   5003  CA  ARG B 837     -23.037   3.858  25.899  1.00 95.76           C  
-ATOM   5004  C   ARG B 837     -21.770   3.010  25.924  1.00 95.76           C  
-ATOM   5005  CB  ARG B 837     -24.158   3.147  26.660  1.00 95.76           C  
-ATOM   5006  O   ARG B 837     -20.980   3.094  26.867  1.00 95.76           O  
-ATOM   5007  CG  ARG B 837     -23.776   2.731  28.072  1.00 95.76           C  
-ATOM   5008  CD  ARG B 837     -23.465   3.934  28.950  1.00 95.76           C  
-ATOM   5009  NE  ARG B 837     -23.149   3.535  30.319  1.00 95.76           N  
-ATOM   5010  NH1 ARG B 837     -22.565   5.657  31.022  1.00 95.76           N  
-ATOM   5011  NH2 ARG B 837     -22.469   3.894  32.483  1.00 95.76           N  
-ATOM   5012  CZ  ARG B 837     -22.728   4.363  31.272  1.00 95.76           C  
-ATOM   5013  N   LEU B 838     -21.545   2.239  24.909  1.00 97.45           N  
-ATOM   5014  CA  LEU B 838     -20.372   1.375  24.833  1.00 97.45           C  
-ATOM   5015  C   LEU B 838     -19.460   1.796  23.685  1.00 97.45           C  
-ATOM   5016  CB  LEU B 838     -20.793  -0.086  24.655  1.00 97.45           C  
-ATOM   5017  O   LEU B 838     -19.937   2.131  22.598  1.00 97.45           O  
-ATOM   5018  CG  LEU B 838     -21.743  -0.651  25.712  1.00 97.45           C  
-ATOM   5019  CD1 LEU B 838     -22.101  -2.097  25.385  1.00 97.45           C  
-ATOM   5020  CD2 LEU B 838     -21.120  -0.551  27.100  1.00 97.45           C  
-ATOM   5021  N   LEU B 839     -18.196   1.881  23.975  1.00 98.20           N  
-ATOM   5022  CA  LEU B 839     -17.149   2.021  22.968  1.00 98.20           C  
-ATOM   5023  C   LEU B 839     -16.359   0.725  22.823  1.00 98.20           C  
-ATOM   5024  CB  LEU B 839     -16.206   3.170  23.333  1.00 98.20           C  
-ATOM   5025  O   LEU B 839     -15.736   0.262  23.781  1.00 98.20           O  
-ATOM   5026  CG  LEU B 839     -14.991   3.364  22.424  1.00 98.20           C  
-ATOM   5027  CD1 LEU B 839     -15.438   3.699  21.005  1.00 98.20           C  
-ATOM   5028  CD2 LEU B 839     -14.079   4.456  22.974  1.00 98.20           C  
-ATOM   5029  N   LEU B 840     -16.472   0.111  21.605  1.00 98.20           N  
-ATOM   5030  CA  LEU B 840     -15.760  -1.125  21.300  1.00 98.20           C  
-ATOM   5031  C   LEU B 840     -14.461  -0.834  20.556  1.00 98.20           C  
-ATOM   5032  CB  LEU B 840     -16.641  -2.060  20.468  1.00 98.20           C  
-ATOM   5033  O   LEU B 840     -14.449  -0.055  19.600  1.00 98.20           O  
-ATOM   5034  CG  LEU B 840     -17.978  -2.465  21.091  1.00 98.20           C  
-ATOM   5035  CD1 LEU B 840     -19.112  -1.641  20.491  1.00 98.20           C  
-ATOM   5036  CD2 LEU B 840     -18.230  -3.956  20.895  1.00 98.20           C  
-ATOM   5037  N   ALA B 841     -13.346  -1.485  21.013  1.00 98.15           N  
-ATOM   5038  CA  ALA B 841     -12.052  -1.246  20.380  1.00 98.15           C  
-ATOM   5039  C   ALA B 841     -11.299  -2.555  20.160  1.00 98.15           C  
-ATOM   5040  CB  ALA B 841     -11.214  -0.290  21.225  1.00 98.15           C  
-ATOM   5041  O   ALA B 841     -11.069  -3.313  21.106  1.00 98.15           O  
-ATOM   5042  N   GLY B 842     -10.961  -2.807  18.848  1.00 97.49           N  
-ATOM   5043  CA  GLY B 842     -10.112  -3.936  18.503  1.00 97.49           C  
-ATOM   5044  C   GLY B 842      -8.633  -3.639  18.657  1.00 97.49           C  
-ATOM   5045  O   GLY B 842      -8.170  -2.555  18.293  1.00 97.49           O  
-ATOM   5046  N   TYR B 843      -7.871  -4.652  19.134  1.00 95.99           N  
-ATOM   5047  CA  TYR B 843      -6.460  -4.431  19.427  1.00 95.99           C  
-ATOM   5048  C   TYR B 843      -5.587  -5.455  18.712  1.00 95.99           C  
-ATOM   5049  CB  TYR B 843      -6.208  -4.493  20.937  1.00 95.99           C  
-ATOM   5050  O   TYR B 843      -6.070  -6.512  18.301  1.00 95.99           O  
-ATOM   5051  CG  TYR B 843      -6.785  -3.324  21.698  1.00 95.99           C  
-ATOM   5052  CD1 TYR B 843      -5.970  -2.281  22.133  1.00 95.99           C  
-ATOM   5053  CD2 TYR B 843      -8.145  -3.260  21.983  1.00 95.99           C  
-ATOM   5054  CE1 TYR B 843      -6.497  -1.203  22.836  1.00 95.99           C  
-ATOM   5055  CE2 TYR B 843      -8.682  -2.187  22.685  1.00 95.99           C  
-ATOM   5056  OH  TYR B 843      -8.379  -0.099  23.802  1.00 95.99           O  
-ATOM   5057  CZ  TYR B 843      -7.852  -1.164  23.107  1.00 95.99           C  
-ATOM   5058  N   ASP B 844      -4.279  -5.163  18.675  1.00 92.45           N  
-ATOM   5059  CA  ASP B 844      -3.273  -6.020  18.055  1.00 92.45           C  
-ATOM   5060  C   ASP B 844      -3.072  -7.302  18.860  1.00 92.45           C  
-ATOM   5061  CB  ASP B 844      -1.944  -5.273  17.916  1.00 92.45           C  
-ATOM   5062  O   ASP B 844      -2.554  -8.293  18.340  1.00 92.45           O  
-ATOM   5063  CG  ASP B 844      -1.938  -4.285  16.763  1.00 92.45           C  
-ATOM   5064  OD1 ASP B 844      -2.755  -4.432  15.829  1.00 92.45           O  
-ATOM   5065  OD2 ASP B 844      -1.106  -3.352  16.788  1.00 92.45           O  
-ATOM   5066  N   ASP B 845      -3.539  -7.296  20.027  1.00 91.60           N  
-ATOM   5067  CA  ASP B 845      -3.328  -8.435  20.916  1.00 91.60           C  
-ATOM   5068  C   ASP B 845      -4.471  -9.441  20.800  1.00 91.60           C  
-ATOM   5069  CB  ASP B 845      -3.186  -7.965  22.366  1.00 91.60           C  
-ATOM   5070  O   ASP B 845      -4.679 -10.258  21.700  1.00 91.60           O  
-ATOM   5071  CG  ASP B 845      -4.458  -7.343  22.915  1.00 91.60           C  
-ATOM   5072  OD1 ASP B 845      -5.402  -7.096  22.134  1.00 91.60           O  
-ATOM   5073  OD2 ASP B 845      -4.514  -7.095  24.139  1.00 91.60           O  
-ATOM   5074  N   PHE B 846      -5.325  -9.314  19.792  1.00 93.71           N  
-ATOM   5075  CA  PHE B 846      -6.338 -10.288  19.402  1.00 93.71           C  
-ATOM   5076  C   PHE B 846      -7.666  -9.992  20.088  1.00 93.71           C  
-ATOM   5077  CB  PHE B 846      -5.877 -11.709  19.740  1.00 93.71           C  
-ATOM   5078  O   PHE B 846      -8.693 -10.583  19.746  1.00 93.71           O  
-ATOM   5079  CG  PHE B 846      -4.473 -12.015  19.292  1.00 93.71           C  
-ATOM   5080  CD1 PHE B 846      -3.858 -11.245  18.313  1.00 93.71           C  
-ATOM   5081  CD2 PHE B 846      -3.768 -13.072  19.852  1.00 93.71           C  
-ATOM   5082  CE1 PHE B 846      -2.558 -11.525  17.897  1.00 93.71           C  
-ATOM   5083  CE2 PHE B 846      -2.469 -13.359  19.442  1.00 93.71           C  
-ATOM   5084  CZ  PHE B 846      -1.867 -12.584  18.463  1.00 93.71           C  
-ATOM   5085  N   ASN B 847      -7.629  -9.031  21.087  1.00 94.71           N  
-ATOM   5086  CA  ASN B 847      -8.832  -8.775  21.871  1.00 94.71           C  
-ATOM   5087  C   ASN B 847      -9.560  -7.523  21.388  1.00 94.71           C  
-ATOM   5088  CB  ASN B 847      -8.488  -8.649  23.357  1.00 94.71           C  
-ATOM   5089  O   ASN B 847      -8.939  -6.614  20.834  1.00 94.71           O  
-ATOM   5090  CG  ASN B 847      -7.951  -9.940  23.943  1.00 94.71           C  
-ATOM   5091  ND2 ASN B 847      -6.889  -9.836  24.733  1.00 94.71           N  
-ATOM   5092  OD1 ASN B 847      -8.486 -11.022  23.688  1.00 94.71           O  
-ATOM   5093  N   CYS B 848     -10.890  -7.550  21.638  1.00 96.65           N  
-ATOM   5094  CA  CYS B 848     -11.729  -6.362  21.532  1.00 96.65           C  
-ATOM   5095  C   CYS B 848     -12.201  -5.903  22.906  1.00 96.65           C  
-ATOM   5096  CB  CYS B 848     -12.935  -6.635  20.633  1.00 96.65           C  
-ATOM   5097  O   CYS B 848     -12.913  -6.633  23.598  1.00 96.65           O  
-ATOM   5098  SG  CYS B 848     -14.017  -5.206  20.413  1.00 96.65           S  
-ATOM   5099  N   ASN B 849     -11.784  -4.718  23.306  1.00 96.74           N  
-ATOM   5100  CA  ASN B 849     -12.165  -4.179  24.608  1.00 96.74           C  
-ATOM   5101  C   ASN B 849     -13.440  -3.345  24.518  1.00 96.74           C  
-ATOM   5102  CB  ASN B 849     -11.026  -3.347  25.199  1.00 96.74           C  
-ATOM   5103  O   ASN B 849     -13.621  -2.580  23.569  1.00 96.74           O  
-ATOM   5104  CG  ASN B 849      -9.840  -4.194  25.617  1.00 96.74           C  
-ATOM   5105  ND2 ASN B 849      -8.836  -4.277  24.752  1.00 96.74           N  
-ATOM   5106  OD1 ASN B 849      -9.826  -4.769  26.708  1.00 96.74           O  
-ATOM   5107  N   VAL B 850     -14.341  -3.528  25.489  1.00 97.55           N  
-ATOM   5108  CA  VAL B 850     -15.595  -2.789  25.585  1.00 97.55           C  
-ATOM   5109  C   VAL B 850     -15.511  -1.772  26.721  1.00 97.55           C  
-ATOM   5110  CB  VAL B 850     -16.796  -3.736  25.806  1.00 97.55           C  
-ATOM   5111  O   VAL B 850     -15.326  -2.143  27.882  1.00 97.55           O  
-ATOM   5112  CG1 VAL B 850     -18.110  -2.956  25.787  1.00 97.55           C  
-ATOM   5113  CG2 VAL B 850     -16.809  -4.837  24.746  1.00 97.55           C  
-ATOM   5114  N   TRP B 851     -15.582  -0.490  26.327  1.00 97.65           N  
-ATOM   5115  CA  TRP B 851     -15.440   0.590  27.298  1.00 97.65           C  
-ATOM   5116  C   TRP B 851     -16.792   1.223  27.609  1.00 97.65           C  
-ATOM   5117  CB  TRP B 851     -14.471   1.656  26.779  1.00 97.65           C  
-ATOM   5118  O   TRP B 851     -17.649   1.337  26.729  1.00 97.65           O  
-ATOM   5119  CG  TRP B 851     -13.110   1.128  26.440  1.00 97.65           C  
-ATOM   5120  CD1 TRP B 851     -12.669   0.711  25.215  1.00 97.65           C  
-ATOM   5121  CD2 TRP B 851     -12.012   0.956  27.341  1.00 97.65           C  
-ATOM   5122  CE2 TRP B 851     -10.935   0.430  26.593  1.00 97.65           C  
-ATOM   5123  CE3 TRP B 851     -11.833   1.197  28.710  1.00 97.65           C  
-ATOM   5124  NE1 TRP B 851     -11.362   0.290  25.300  1.00 97.65           N  
-ATOM   5125  CH2 TRP B 851      -9.548   0.385  28.510  1.00 97.65           C  
-ATOM   5126  CZ2 TRP B 851      -9.696   0.141  27.169  1.00 97.65           C  
-ATOM   5127  CZ3 TRP B 851     -10.599   0.908  29.282  1.00 97.65           C  
-ATOM   5128  N   ASP B 852     -16.924   1.528  28.844  1.00 97.09           N  
-ATOM   5129  CA  ASP B 852     -17.977   2.471  29.208  1.00 97.09           C  
-ATOM   5130  C   ASP B 852     -17.640   3.882  28.731  1.00 97.09           C  
-ATOM   5131  CB  ASP B 852     -18.202   2.466  30.721  1.00 97.09           C  
-ATOM   5132  O   ASP B 852     -16.750   4.532  29.282  1.00 97.09           O  
-ATOM   5133  CG  ASP B 852     -19.389   3.312  31.147  1.00 97.09           C  
-ATOM   5134  OD1 ASP B 852     -19.795   4.219  30.389  1.00 97.09           O  
-ATOM   5135  OD2 ASP B 852     -19.922   3.070  32.252  1.00 97.09           O  
-ATOM   5136  N   ALA B 853     -18.419   4.330  27.765  1.00 96.42           N  
-ATOM   5137  CA  ALA B 853     -18.077   5.572  27.077  1.00 96.42           C  
-ATOM   5138  C   ALA B 853     -18.120   6.759  28.034  1.00 96.42           C  
-ATOM   5139  CB  ALA B 853     -19.022   5.806  25.901  1.00 96.42           C  
-ATOM   5140  O   ALA B 853     -17.382   7.732  27.860  1.00 96.42           O  
-ATOM   5141  N   LEU B 854     -18.853   6.711  29.103  1.00 95.57           N  
-ATOM   5142  CA  LEU B 854     -19.069   7.836  30.005  1.00 95.57           C  
-ATOM   5143  C   LEU B 854     -18.085   7.795  31.170  1.00 95.57           C  
-ATOM   5144  CB  LEU B 854     -20.505   7.831  30.535  1.00 95.57           C  
-ATOM   5145  O   LEU B 854     -17.728   8.838  31.723  1.00 95.57           O  
-ATOM   5146  CG  LEU B 854     -21.612   8.020  29.496  1.00 95.57           C  
-ATOM   5147  CD1 LEU B 854     -22.981   7.980  30.166  1.00 95.57           C  
-ATOM   5148  CD2 LEU B 854     -21.419   9.330  28.740  1.00 95.57           C  
-ATOM   5149  N   LYS B 855     -17.585   6.513  31.522  1.00 94.83           N  
-ATOM   5150  CA  LYS B 855     -16.805   6.363  32.747  1.00 94.83           C  
-ATOM   5151  C   LYS B 855     -15.367   5.954  32.437  1.00 94.83           C  
-ATOM   5152  CB  LYS B 855     -17.453   5.333  33.674  1.00 94.83           C  
-ATOM   5153  O   LYS B 855     -14.507   5.970  33.320  1.00 94.83           O  
-ATOM   5154  CG  LYS B 855     -18.856   5.708  34.129  1.00 94.83           C  
-ATOM   5155  CD  LYS B 855     -18.838   6.905  35.070  1.00 94.83           C  
-ATOM   5156  CE  LYS B 855     -20.223   7.198  35.630  1.00 94.83           C  
-ATOM   5157  NZ  LYS B 855     -20.204   8.349  36.582  1.00 94.83           N  
-ATOM   5158  N   ALA B 856     -15.127   5.579  31.246  1.00 94.90           N  
-ATOM   5159  CA  ALA B 856     -13.813   5.173  30.753  1.00 94.90           C  
-ATOM   5160  C   ALA B 856     -13.332   3.906  31.454  1.00 94.90           C  
-ATOM   5161  CB  ALA B 856     -12.802   6.301  30.944  1.00 94.90           C  
-ATOM   5162  O   ALA B 856     -12.129   3.640  31.510  1.00 94.90           O  
-ATOM   5163  N   ASP B 857     -14.328   3.242  32.095  1.00 94.71           N  
-ATOM   5164  CA  ASP B 857     -14.033   1.943  32.690  1.00 94.71           C  
-ATOM   5165  C   ASP B 857     -14.162   0.824  31.659  1.00 94.71           C  
-ATOM   5166  CB  ASP B 857     -14.961   1.673  33.877  1.00 94.71           C  
-ATOM   5167  O   ASP B 857     -15.039   0.868  30.793  1.00 94.71           O  
-ATOM   5168  CG  ASP B 857     -14.717   2.612  35.045  1.00 94.71           C  
-ATOM   5169  OD1 ASP B 857     -13.612   3.188  35.145  1.00 94.71           O  
-ATOM   5170  OD2 ASP B 857     -15.637   2.776  35.876  1.00 94.71           O  
-ATOM   5171  N   ARG B 858     -13.248  -0.116  31.758  1.00 95.10           N  
-ATOM   5172  CA  ARG B 858     -13.351  -1.299  30.910  1.00 95.10           C  
-ATOM   5173  C   ARG B 858     -14.497  -2.198  31.362  1.00 95.10           C  
-ATOM   5174  CB  ARG B 858     -12.036  -2.082  30.917  1.00 95.10           C  
-ATOM   5175  O   ARG B 858     -14.462  -2.751  32.463  1.00 95.10           O  
-ATOM   5176  CG  ARG B 858     -11.985  -3.208  29.897  1.00 95.10           C  
-ATOM   5177  CD  ARG B 858     -10.599  -3.835  29.819  1.00 95.10           C  
-ATOM   5178  NE  ARG B 858     -10.300  -4.632  31.005  1.00 95.10           N  
-ATOM   5179  NH1 ARG B 858      -8.287  -5.438  30.210  1.00 95.10           N  
-ATOM   5180  NH2 ARG B 858      -9.037  -6.061  32.285  1.00 95.10           N  
-ATOM   5181  CZ  ARG B 858      -9.209  -5.375  31.164  1.00 95.10           C  
-ATOM   5182  N   ALA B 859     -15.555  -2.257  30.517  1.00 95.45           N  
-ATOM   5183  CA  ALA B 859     -16.795  -2.949  30.859  1.00 95.45           C  
-ATOM   5184  C   ALA B 859     -16.736  -4.417  30.446  1.00 95.45           C  
-ATOM   5185  CB  ALA B 859     -17.988  -2.261  30.201  1.00 95.45           C  
-ATOM   5186  O   ALA B 859     -17.451  -5.254  31.001  1.00 95.45           O  
-ATOM   5187  N   GLY B 860     -15.840  -4.819  29.520  1.00 95.37           N  
-ATOM   5188  CA  GLY B 860     -15.725  -6.198  29.071  1.00 95.37           C  
-ATOM   5189  C   GLY B 860     -14.663  -6.391  28.004  1.00 95.37           C  
-ATOM   5190  O   GLY B 860     -14.113  -5.417  27.485  1.00 95.37           O  
-ATOM   5191  N   VAL B 861     -14.351  -7.687  27.773  1.00 95.42           N  
-ATOM   5192  CA  VAL B 861     -13.391  -8.087  26.749  1.00 95.42           C  
-ATOM   5193  C   VAL B 861     -14.001  -9.171  25.864  1.00 95.42           C  
-ATOM   5194  CB  VAL B 861     -12.071  -8.590  27.374  1.00 95.42           C  
-ATOM   5195  O   VAL B 861     -14.519 -10.172  26.365  1.00 95.42           O  
-ATOM   5196  CG1 VAL B 861     -11.078  -8.995  26.286  1.00 95.42           C  
-ATOM   5197  CG2 VAL B 861     -11.467  -7.518  28.280  1.00 95.42           C  
-ATOM   5198  N   LEU B 862     -14.041  -8.871  24.552  1.00 95.69           N  
-ATOM   5199  CA  LEU B 862     -14.414  -9.904  23.592  1.00 95.69           C  
-ATOM   5200  C   LEU B 862     -13.189 -10.689  23.134  1.00 95.69           C  
-ATOM   5201  CB  LEU B 862     -15.118  -9.283  22.382  1.00 95.69           C  
-ATOM   5202  O   LEU B 862     -12.404 -10.201  22.317  1.00 95.69           O  
-ATOM   5203  CG  LEU B 862     -16.228  -8.276  22.688  1.00 95.69           C  
-ATOM   5204  CD1 LEU B 862     -16.881  -7.799  21.395  1.00 95.69           C  
-ATOM   5205  CD2 LEU B 862     -17.265  -8.889  23.622  1.00 95.69           C  
-ATOM   5206  N   ALA B 863     -13.084 -11.937  23.729  1.00 93.89           N  
-ATOM   5207  CA  ALA B 863     -11.938 -12.796  23.441  1.00 93.89           C  
-ATOM   5208  C   ALA B 863     -12.364 -14.034  22.658  1.00 93.89           C  
-ATOM   5209  CB  ALA B 863     -11.240 -13.203  24.736  1.00 93.89           C  
-ATOM   5210  O   ALA B 863     -13.102 -14.878  23.172  1.00 93.89           O  
-ATOM   5211  N   GLY B 864     -12.068 -14.087  21.406  1.00 92.51           N  
-ATOM   5212  CA  GLY B 864     -12.463 -15.231  20.600  1.00 92.51           C  
-ATOM   5213  C   GLY B 864     -11.564 -15.454  19.399  1.00 92.51           C  
-ATOM   5214  O   GLY B 864     -11.517 -16.556  18.848  1.00 92.51           O  
-ATOM   5215  N   HIS B 865     -10.721 -14.537  19.143  1.00 96.31           N  
-ATOM   5216  CA  HIS B 865      -9.829 -14.633  17.993  1.00 96.31           C  
-ATOM   5217  C   HIS B 865      -8.446 -15.123  18.408  1.00 96.31           C  
-ATOM   5218  CB  HIS B 865      -9.716 -13.280  17.288  1.00 96.31           C  
-ATOM   5219  O   HIS B 865      -8.046 -14.961  19.563  1.00 96.31           O  
-ATOM   5220  CG  HIS B 865     -10.929 -12.916  16.491  1.00 96.31           C  
-ATOM   5221  CD2 HIS B 865     -11.864 -11.956  16.684  1.00 96.31           C  
-ATOM   5222  ND1 HIS B 865     -11.291 -13.582  15.340  1.00 96.31           N  
-ATOM   5223  CE1 HIS B 865     -12.399 -13.045  14.858  1.00 96.31           C  
-ATOM   5224  NE2 HIS B 865     -12.767 -12.056  15.655  1.00 96.31           N  
-ATOM   5225  N   ASP B 866      -7.664 -15.667  17.469  1.00 94.63           N  
-ATOM   5226  CA  ASP B 866      -6.344 -16.236  17.720  1.00 94.63           C  
-ATOM   5227  C   ASP B 866      -5.246 -15.370  17.107  1.00 94.63           C  
-ATOM   5228  CB  ASP B 866      -6.260 -17.661  17.167  1.00 94.63           C  
-ATOM   5229  O   ASP B 866      -4.078 -15.763  17.083  1.00 94.63           O  
-ATOM   5230  CG  ASP B 866      -7.144 -18.641  17.918  1.00 94.63           C  
-ATOM   5231  OD1 ASP B 866      -7.243 -18.545  19.160  1.00 94.63           O  
-ATOM   5232  OD2 ASP B 866      -7.743 -19.520  17.262  1.00 94.63           O  
-ATOM   5233  N   ASN B 867      -5.689 -14.316  16.531  1.00 94.39           N  
-ATOM   5234  CA  ASN B 867      -4.790 -13.342  15.921  1.00 94.39           C  
-ATOM   5235  C   ASN B 867      -5.356 -11.927  16.003  1.00 94.39           C  
-ATOM   5236  CB  ASN B 867      -4.503 -13.714  14.464  1.00 94.39           C  
-ATOM   5237  O   ASN B 867      -6.403 -11.708  16.614  1.00 94.39           O  
-ATOM   5238  CG  ASN B 867      -3.095 -13.349  14.035  1.00 94.39           C  
-ATOM   5239  ND2 ASN B 867      -2.476 -14.212  13.237  1.00 94.39           N  
-ATOM   5240  OD1 ASN B 867      -2.568 -12.302  14.418  1.00 94.39           O  
-ATOM   5241  N   ARG B 868      -4.654 -10.942  15.454  1.00 93.76           N  
-ATOM   5242  CA  ARG B 868      -4.986  -9.521  15.496  1.00 93.76           C  
-ATOM   5243  C   ARG B 868      -6.410  -9.277  15.007  1.00 93.76           C  
-ATOM   5244  CB  ARG B 868      -3.996  -8.712  14.655  1.00 93.76           C  
-ATOM   5245  O   ARG B 868      -6.805  -9.783  13.954  1.00 93.76           O  
-ATOM   5246  CG  ARG B 868      -4.363  -7.243  14.517  1.00 93.76           C  
-ATOM   5247  CD  ARG B 868      -3.381  -6.499  13.623  1.00 93.76           C  
-ATOM   5248  NE  ARG B 868      -3.643  -5.063  13.612  1.00 93.76           N  
-ATOM   5249  NH1 ARG B 868      -2.034  -4.570  12.030  1.00 93.76           N  
-ATOM   5250  NH2 ARG B 868      -3.317  -2.895  12.925  1.00 93.76           N  
-ATOM   5251  CZ  ARG B 868      -2.998  -4.179  12.856  1.00 93.76           C  
-ATOM   5252  N   VAL B 869      -7.243  -8.467  15.850  1.00 97.13           N  
-ATOM   5253  CA  VAL B 869      -8.547  -7.998  15.395  1.00 97.13           C  
-ATOM   5254  C   VAL B 869      -8.374  -6.762  14.516  1.00 97.13           C  
-ATOM   5255  CB  VAL B 869      -9.482  -7.680  16.584  1.00 97.13           C  
-ATOM   5256  O   VAL B 869      -7.960  -5.704  14.997  1.00 97.13           O  
-ATOM   5257  CG1 VAL B 869     -10.830  -7.160  16.086  1.00 97.13           C  
-ATOM   5258  CG2 VAL B 869      -9.673  -8.919  17.457  1.00 97.13           C  
-ATOM   5259  N   SER B 870      -8.630  -6.957  13.258  1.00 96.65           N  
-ATOM   5260  CA  SER B 870      -8.290  -5.926  12.283  1.00 96.65           C  
-ATOM   5261  C   SER B 870      -9.475  -5.005  12.015  1.00 96.65           C  
-ATOM   5262  CB  SER B 870      -7.821  -6.561  10.973  1.00 96.65           C  
-ATOM   5263  O   SER B 870      -9.298  -3.870  11.568  1.00 96.65           O  
-ATOM   5264  OG  SER B 870      -8.810  -7.433  10.453  1.00 96.65           O  
-ATOM   5265  N   CYS B 871     -10.688  -5.392  12.160  1.00 97.51           N  
-ATOM   5266  CA  CYS B 871     -11.865  -4.578  11.879  1.00 97.51           C  
-ATOM   5267  C   CYS B 871     -13.031  -4.975  12.776  1.00 97.51           C  
-ATOM   5268  CB  CYS B 871     -12.271  -4.711  10.411  1.00 97.51           C  
-ATOM   5269  O   CYS B 871     -13.076  -6.099  13.280  1.00 97.51           O  
-ATOM   5270  SG  CYS B 871     -12.533  -6.418   9.881  1.00 97.51           S  
-ATOM   5271  N   LEU B 872     -13.883  -4.075  13.066  1.00 97.47           N  
-ATOM   5272  CA  LEU B 872     -15.081  -4.312  13.864  1.00 97.47           C  
-ATOM   5273  C   LEU B 872     -16.214  -3.388  13.430  1.00 97.47           C  
-ATOM   5274  CB  LEU B 872     -14.783  -4.111  15.352  1.00 97.47           C  
-ATOM   5275  O   LEU B 872     -15.967  -2.294  12.919  1.00 97.47           O  
-ATOM   5276  CG  LEU B 872     -14.516  -2.674  15.801  1.00 97.47           C  
-ATOM   5277  CD1 LEU B 872     -15.818  -1.996  16.214  1.00 97.47           C  
-ATOM   5278  CD2 LEU B 872     -13.508  -2.650  16.946  1.00 97.47           C  
-ATOM   5279  N   GLY B 873     -17.517  -3.801  13.623  1.00 96.97           N  
-ATOM   5280  CA  GLY B 873     -18.691  -3.014  13.283  1.00 96.97           C  
-ATOM   5281  C   GLY B 873     -19.938  -3.450  14.030  1.00 96.97           C  
-ATOM   5282  O   GLY B 873     -20.058  -4.612  14.423  1.00 96.97           O  
-ATOM   5283  N   VAL B 874     -20.808  -2.457  14.286  1.00 97.13           N  
-ATOM   5284  CA  VAL B 874     -22.083  -2.705  14.950  1.00 97.13           C  
-ATOM   5285  C   VAL B 874     -23.226  -2.545  13.951  1.00 97.13           C  
-ATOM   5286  CB  VAL B 874     -22.289  -1.758  16.153  1.00 97.13           C  
-ATOM   5287  O   VAL B 874     -23.209  -1.634  13.120  1.00 97.13           O  
-ATOM   5288  CG1 VAL B 874     -23.645  -2.008  16.812  1.00 97.13           C  
-ATOM   5289  CG2 VAL B 874     -21.159  -1.929  17.167  1.00 97.13           C  
-ATOM   5290  N   THR B 875     -24.182  -3.511  13.899  1.00 95.78           N  
-ATOM   5291  CA  THR B 875     -25.317  -3.428  12.986  1.00 95.78           C  
-ATOM   5292  C   THR B 875     -26.151  -2.182  13.271  1.00 95.78           C  
-ATOM   5293  CB  THR B 875     -26.208  -4.680  13.087  1.00 95.78           C  
-ATOM   5294  O   THR B 875     -26.178  -1.692  14.401  1.00 95.78           O  
-ATOM   5295  CG2 THR B 875     -25.457  -5.928  12.634  1.00 95.78           C  
-ATOM   5296  OG1 THR B 875     -26.625  -4.854  14.447  1.00 95.78           O  
-ATOM   5297  N   ASP B 876     -26.858  -1.663  12.279  1.00 92.33           N  
-ATOM   5298  CA  ASP B 876     -27.645  -0.436  12.355  1.00 92.33           C  
-ATOM   5299  C   ASP B 876     -28.738  -0.550  13.416  1.00 92.33           C  
-ATOM   5300  CB  ASP B 876     -28.265  -0.111  10.994  1.00 92.33           C  
-ATOM   5301  O   ASP B 876     -29.134   0.451  14.016  1.00 92.33           O  
-ATOM   5302  CG  ASP B 876     -27.284   0.545  10.038  1.00 92.33           C  
-ATOM   5303  OD1 ASP B 876     -26.130   0.811  10.436  1.00 92.33           O  
-ATOM   5304  OD2 ASP B 876     -27.670   0.800   8.877  1.00 92.33           O  
-ATOM   5305  N   ASP B 877     -29.204  -1.804  13.597  1.00 94.09           N  
-ATOM   5306  CA  ASP B 877     -30.255  -1.997  14.591  1.00 94.09           C  
-ATOM   5307  C   ASP B 877     -29.663  -2.198  15.984  1.00 94.09           C  
-ATOM   5308  CB  ASP B 877     -31.136  -3.191  14.217  1.00 94.09           C  
-ATOM   5309  O   ASP B 877     -30.399  -2.350  16.961  1.00 94.09           O  
-ATOM   5310  CG  ASP B 877     -30.368  -4.500  14.162  1.00 94.09           C  
-ATOM   5311  OD1 ASP B 877     -29.152  -4.507  14.451  1.00 94.09           O  
-ATOM   5312  OD2 ASP B 877     -30.984  -5.534  13.823  1.00 94.09           O  
-ATOM   5313  N   GLY B 878     -28.285  -2.377  16.129  1.00 94.34           N  
-ATOM   5314  CA  GLY B 878     -27.572  -2.434  17.395  1.00 94.34           C  
-ATOM   5315  C   GLY B 878     -27.608  -3.807  18.039  1.00 94.34           C  
-ATOM   5316  O   GLY B 878     -27.233  -3.962  19.203  1.00 94.34           O  
-ATOM   5317  N   MET B 879     -27.998  -4.811  17.346  1.00 93.79           N  
-ATOM   5318  CA  MET B 879     -28.267  -6.127  17.918  1.00 93.79           C  
-ATOM   5319  C   MET B 879     -27.026  -7.012  17.856  1.00 93.79           C  
-ATOM   5320  CB  MET B 879     -29.429  -6.804  17.189  1.00 93.79           C  
-ATOM   5321  O   MET B 879     -26.928  -8.003  18.582  1.00 93.79           O  
-ATOM   5322  CG  MET B 879     -30.778  -6.153  17.450  1.00 93.79           C  
-ATOM   5323  SD  MET B 879     -31.239  -6.180  19.226  1.00 93.79           S  
-ATOM   5324  CE  MET B 879     -32.849  -5.345  19.151  1.00 93.79           C  
-ATOM   5325  N   ALA B 880     -26.055  -6.642  17.036  1.00 94.98           N  
-ATOM   5326  CA  ALA B 880     -24.898  -7.520  16.885  1.00 94.98           C  
-ATOM   5327  C   ALA B 880     -23.626  -6.714  16.635  1.00 94.98           C  
-ATOM   5328  CB  ALA B 880     -25.128  -8.512  15.748  1.00 94.98           C  
-ATOM   5329  O   ALA B 880     -23.679  -5.618  16.074  1.00 94.98           O  
-ATOM   5330  N   VAL B 881     -22.545  -7.271  17.097  1.00 97.14           N  
-ATOM   5331  CA  VAL B 881     -21.197  -6.787  16.820  1.00 97.14           C  
-ATOM   5332  C   VAL B 881     -20.438  -7.818  15.988  1.00 97.14           C  
-ATOM   5333  CB  VAL B 881     -20.425  -6.479  18.122  1.00 97.14           C  
-ATOM   5334  O   VAL B 881     -20.474  -9.014  16.288  1.00 97.14           O  
-ATOM   5335  CG1 VAL B 881     -19.017  -5.975  17.809  1.00 97.14           C  
-ATOM   5336  CG2 VAL B 881     -21.187  -5.458  18.965  1.00 97.14           C  
-ATOM   5337  N   ALA B 882     -19.814  -7.327  14.898  1.00 97.83           N  
-ATOM   5338  CA  ALA B 882     -18.962  -8.201  14.095  1.00 97.83           C  
-ATOM   5339  C   ALA B 882     -17.492  -7.817  14.238  1.00 97.83           C  
-ATOM   5340  CB  ALA B 882     -19.381  -8.151  12.628  1.00 97.83           C  
-ATOM   5341  O   ALA B 882     -17.148  -6.633  14.210  1.00 97.83           O  
-ATOM   5342  N   THR B 883     -16.645  -8.836  14.446  1.00 98.28           N  
-ATOM   5343  CA  THR B 883     -15.201  -8.634  14.457  1.00 98.28           C  
-ATOM   5344  C   THR B 883     -14.528  -9.482  13.381  1.00 98.28           C  
-ATOM   5345  CB  THR B 883     -14.600  -8.975  15.833  1.00 98.28           C  
-ATOM   5346  O   THR B 883     -14.898 -10.639  13.173  1.00 98.28           O  
-ATOM   5347  CG2 THR B 883     -15.187  -8.086  16.925  1.00 98.28           C  
-ATOM   5348  OG1 THR B 883     -14.881 -10.345  16.145  1.00 98.28           O  
-ATOM   5349  N   GLY B 884     -13.613  -8.870  12.614  1.00 97.92           N  
-ATOM   5350  CA  GLY B 884     -12.753  -9.553  11.662  1.00 97.92           C  
-ATOM   5351  C   GLY B 884     -11.308  -9.639  12.117  1.00 97.92           C  
-ATOM   5352  O   GLY B 884     -10.773  -8.685  12.685  1.00 97.92           O  
-ATOM   5353  N   SER B 885     -10.646 -10.752  11.786  1.00 97.95           N  
-ATOM   5354  CA  SER B 885      -9.326 -10.979  12.365  1.00 97.95           C  
-ATOM   5355  C   SER B 885      -8.360 -11.548  11.331  1.00 97.95           C  
-ATOM   5356  CB  SER B 885      -9.421 -11.927  13.561  1.00 97.95           C  
-ATOM   5357  O   SER B 885      -8.784 -12.091  10.309  1.00 97.95           O  
-ATOM   5358  OG  SER B 885      -8.130 -12.274  14.032  1.00 97.95           O  
-ATOM   5359  N   TRP B 886      -7.101 -11.448  11.645  1.00 96.28           N  
-ATOM   5360  CA  TRP B 886      -6.041 -12.037  10.833  1.00 96.28           C  
-ATOM   5361  C   TRP B 886      -6.022 -13.554  10.979  1.00 96.28           C  
-ATOM   5362  CB  TRP B 886      -4.678 -11.457  11.225  1.00 96.28           C  
-ATOM   5363  O   TRP B 886      -5.248 -14.240  10.307  1.00 96.28           O  
-ATOM   5364  CG  TRP B 886      -4.449 -10.057  10.739  1.00 96.28           C  
-ATOM   5365  CD1 TRP B 886      -5.375  -9.213  10.192  1.00 96.28           C  
-ATOM   5366  CD2 TRP B 886      -3.211  -9.341  10.752  1.00 96.28           C  
-ATOM   5367  CE2 TRP B 886      -3.461  -8.065  10.198  1.00 96.28           C  
-ATOM   5368  CE3 TRP B 886      -1.914  -9.653  11.180  1.00 96.28           C  
-ATOM   5369  NE1 TRP B 886      -4.787  -8.013   9.865  1.00 96.28           N  
-ATOM   5370  CH2 TRP B 886      -1.198  -7.433  10.487  1.00 96.28           C  
-ATOM   5371  CZ2 TRP B 886      -2.458  -7.102  10.061  1.00 96.28           C  
-ATOM   5372  CZ3 TRP B 886      -0.918  -8.692  11.043  1.00 96.28           C  
-ATOM   5373  N   ASP B 887      -6.867 -14.068  11.786  1.00 95.23           N  
-ATOM   5374  CA  ASP B 887      -7.017 -15.516  11.884  1.00 95.23           C  
-ATOM   5375  C   ASP B 887      -7.951 -16.046  10.798  1.00 95.23           C  
-ATOM   5376  CB  ASP B 887      -7.541 -15.909  13.266  1.00 95.23           C  
-ATOM   5377  O   ASP B 887      -8.286 -17.233  10.785  1.00 95.23           O  
-ATOM   5378  CG  ASP B 887      -8.936 -15.377  13.545  1.00 95.23           C  
-ATOM   5379  OD1 ASP B 887      -9.590 -14.862  12.612  1.00 95.23           O  
-ATOM   5380  OD2 ASP B 887      -9.384 -15.471  14.708  1.00 95.23           O  
-ATOM   5381  N   SER B 888      -8.419 -15.249   9.961  1.00 95.53           N  
-ATOM   5382  CA  SER B 888      -9.213 -15.527   8.769  1.00 95.53           C  
-ATOM   5383  C   SER B 888     -10.684 -15.726   9.118  1.00 95.53           C  
-ATOM   5384  CB  SER B 888      -8.680 -16.765   8.047  1.00 95.53           C  
-ATOM   5385  O   SER B 888     -11.455 -16.245   8.308  1.00 95.53           O  
-ATOM   5386  OG  SER B 888      -8.737 -17.903   8.890  1.00 95.53           O  
-ATOM   5387  N   PHE B 889     -11.074 -15.357  10.381  1.00 97.00           N  
-ATOM   5388  CA  PHE B 889     -12.456 -15.551  10.804  1.00 97.00           C  
-ATOM   5389  C   PHE B 889     -13.125 -14.213  11.095  1.00 97.00           C  
-ATOM   5390  CB  PHE B 889     -12.520 -16.450  12.042  1.00 97.00           C  
-ATOM   5391  O   PHE B 889     -12.467 -13.266  11.532  1.00 97.00           O  
-ATOM   5392  CG  PHE B 889     -11.980 -17.836  11.814  1.00 97.00           C  
-ATOM   5393  CD1 PHE B 889     -12.585 -18.691  10.900  1.00 97.00           C  
-ATOM   5394  CD2 PHE B 889     -10.867 -18.285  12.514  1.00 97.00           C  
-ATOM   5395  CE1 PHE B 889     -12.087 -19.975  10.687  1.00 97.00           C  
-ATOM   5396  CE2 PHE B 889     -10.365 -19.566  12.306  1.00 97.00           C  
-ATOM   5397  CZ  PHE B 889     -10.977 -20.410  11.393  1.00 97.00           C  
-ATOM   5398  N   LEU B 890     -14.454 -14.192  10.764  1.00 97.81           N  
-ATOM   5399  CA  LEU B 890     -15.343 -13.170  11.306  1.00 97.81           C  
-ATOM   5400  C   LEU B 890     -16.196 -13.736  12.436  1.00 97.81           C  
-ATOM   5401  CB  LEU B 890     -16.243 -12.604  10.205  1.00 97.81           C  
-ATOM   5402  O   LEU B 890     -16.715 -14.850  12.330  1.00 97.81           O  
-ATOM   5403  CG  LEU B 890     -15.559 -11.732   9.151  1.00 97.81           C  
-ATOM   5404  CD1 LEU B 890     -15.806 -12.296   7.756  1.00 97.81           C  
-ATOM   5405  CD2 LEU B 890     -16.052 -10.292   9.246  1.00 97.81           C  
-ATOM   5406  N   LYS B 891     -16.317 -12.993  13.459  1.00 97.58           N  
-ATOM   5407  CA  LYS B 891     -17.163 -13.428  14.566  1.00 97.58           C  
-ATOM   5408  C   LYS B 891     -18.308 -12.448  14.801  1.00 97.58           C  
-ATOM   5409  CB  LYS B 891     -16.337 -13.585  15.844  1.00 97.58           C  
-ATOM   5410  O   LYS B 891     -18.109 -11.232  14.766  1.00 97.58           O  
-ATOM   5411  CG  LYS B 891     -15.320 -14.716  15.789  1.00 97.58           C  
-ATOM   5412  CD  LYS B 891     -14.641 -14.923  17.136  1.00 97.58           C  
-ATOM   5413  CE  LYS B 891     -13.627 -16.058  17.084  1.00 97.58           C  
-ATOM   5414  NZ  LYS B 891     -14.156 -17.302  17.718  1.00 97.58           N  
-ATOM   5415  N   ILE B 892     -19.514 -13.041  15.014  1.00 97.37           N  
-ATOM   5416  CA  ILE B 892     -20.693 -12.254  15.359  1.00 97.37           C  
-ATOM   5417  C   ILE B 892     -20.994 -12.400  16.849  1.00 97.37           C  
-ATOM   5418  CB  ILE B 892     -21.920 -12.676  14.520  1.00 97.37           C  
-ATOM   5419  O   ILE B 892     -21.137 -13.517  17.353  1.00 97.37           O  
-ATOM   5420  CG1 ILE B 892     -21.591 -12.616  13.024  1.00 97.37           C  
-ATOM   5421  CG2 ILE B 892     -23.129 -11.796  14.851  1.00 97.37           C  
-ATOM   5422  CD1 ILE B 892     -21.231 -11.223  12.525  1.00 97.37           C  
-ATOM   5423  N   TRP B 893     -21.061 -11.179  17.548  1.00 96.10           N  
-ATOM   5424  CA  TRP B 893     -21.259 -11.156  18.993  1.00 96.10           C  
-ATOM   5425  C   TRP B 893     -22.643 -10.621  19.345  1.00 96.10           C  
-ATOM   5426  CB  TRP B 893     -20.181 -10.305  19.670  1.00 96.10           C  
-ATOM   5427  O   TRP B 893     -23.141  -9.697  18.697  1.00 96.10           O  
-ATOM   5428  CG  TRP B 893     -18.787 -10.608  19.209  1.00 96.10           C  
-ATOM   5429  CD1 TRP B 893     -18.182 -10.161  18.067  1.00 96.10           C  
-ATOM   5430  CD2 TRP B 893     -17.826 -11.429  19.879  1.00 96.10           C  
-ATOM   5431  CE2 TRP B 893     -16.657 -11.435  19.085  1.00 96.10           C  
-ATOM   5432  CE3 TRP B 893     -17.838 -12.160  21.074  1.00 96.10           C  
-ATOM   5433  NE1 TRP B 893     -16.900 -10.655  17.987  1.00 96.10           N  
-ATOM   5434  CH2 TRP B 893     -15.550 -12.852  20.624  1.00 96.10           C  
-ATOM   5435  CZ2 TRP B 893     -15.511 -12.146  19.450  1.00 96.10           C  
-ATOM   5436  CZ3 TRP B 893     -16.697 -12.866  21.435  1.00 96.10           C  
-ATOM   5437  N   ASN B 894     -23.395 -11.116  20.390  1.00 87.49           N  
-ATOM   5438  CA  ASN B 894     -24.644 -10.624  20.961  1.00 87.49           C  
-ATOM   5439  C   ASN B 894     -24.710 -10.875  22.465  1.00 87.49           C  
-ATOM   5440  CB  ASN B 894     -25.844 -11.266  20.263  1.00 87.49           C  
-ATOM   5441  O   ASN B 894     -23.990 -11.727  22.989  1.00 87.49           O  
-ATOM   5442  CG  ASN B 894     -25.909 -12.766  20.475  1.00 87.49           C  
-ATOM   5443  ND2 ASN B 894     -26.823 -13.425  19.772  1.00 87.49           N  
-ATOM   5444  OD1 ASN B 894     -25.145 -13.328  21.264  1.00 87.49           O  
diff --git a/modules/core/test/test_rigid_body_initial_reference_frame.py b/modules/core/test/test_rigid_body_initial_reference_frame.py
index 65903b2486..644e18785c 100644
--- a/modules/core/test/test_rigid_body_initial_reference_frame.py
+++ b/modules/core/test/test_rigid_body_initial_reference_frame.py
@@ -14,7 +14,7 @@ class Tests(IMP.test.TestCase):
     construction for rigid bodies"""
 
     def make_binary_complex(self, conf_num=1):
-        pdb_file = os.path.abspath("input/1gp2/1gp2_AB_conf%d.pdb" % conf_num)
+        pdb_file = self.get_input_file_name("1gp2/1gp2_AB_conf%d.pdb" % conf_num)
         m = IMP.Model()
         selector = IMP.atom.ATOMPDBSelector() & \
                    IMP.atom.NonWaterNonHydrogenPDBSelector() & \
@@ -35,8 +35,7 @@ def make_binary_complex(self, conf_num=1):
             rf = IMP.algebra.ReferenceFrame3D(tr)
 
             rb = IMP.core.RigidBody.setup_particle(IMP.Particle(m), rf)
-            for h in calpha_hiers:
-                rb.add_member(h.get_particle())
+            [rb.add_member(h) for h in calpha_hiers]
             rbs.append(rb)
         return m, root_hier, rbs
 
@@ -83,20 +82,20 @@ def _test_conf_against_reference(self, rbs, rbs_ref):
         # restore the conformations
         self._align_to_reference(rbs, rbs_ref, invert=True)
 
-        print("Rigid body 1:")
-        print("%15s" % "params_before: " + fmt % params_before[0])
-        print("%15s" % "params_ref: " + fmt % params_ref[0])
-        print("%15s" % "params_after: " + fmt % params_after[0])
-        print("--------------------------------------------------")
-        print("Rigid body 2:")
-        print("%15s" % "params_before: " + fmt % params_before[1])
-        print("%15s" % "params_ref: " + fmt % params_ref[1])
-        print("%15s" % "params_after: " + fmt % params_after[1])
+        #print("Rigid body 1:")
+        #print("%15s" % "params_before: " + fmt % params_before[0])
+        #print("%15s" % "params_ref: " + fmt % params_ref[0])
+        #print("%15s" % "params_after: " + fmt % params_after[0])
+        #print("--------------------------------------------------")
+        #print("Rigid body 2:")
+        #print("%15s" % "params_before: " + fmt % params_before[1])
+        #print("%15s" % "params_ref: " + fmt % params_ref[1])
+        #print("%15s" % "params_after: " + fmt % params_after[1])
 
         # check that for rigid body 1, params are
         # very close between ref and after. For the particular conformations
         # used in this test, the parameters of reference and after alignment
-        # agreed to within 1%. However, they are reasonably close as can be
+        # agreed to within 10%. However, they are reasonably close as can be
         # seen from the printed log.
         test = np.allclose(params_after[0], params_ref[0], atol=0.1)
         self.assertTrue(test)
@@ -107,8 +106,8 @@ def test_initial_reference_frame(self):
         two conformations of the same rigid body, aligned with a common
         reference
         """
-        # create complexes from all (5) conformations
-        n_conf = 5
+        # create complexes from all (3) conformations
+        n_conf = 3
         conf = [self.make_binary_complex(i+1) for i in range(n_conf)]
 
         # treating each complex as reference
@@ -116,7 +115,7 @@ def test_initial_reference_frame(self):
             rbs_ref = conf[i][-1]
             # for each conformation
             for j in range(n_conf):
-                print("\nReference conf = %d, conf = %d" % (i+1, j+1))
+                #print("\nReference conf = %d, conf = %d" % (i+1, j+1))
                 rbs = conf[j][-1]
                 self._test_conf_against_reference(rbs, rbs_ref)
 

From d289289df6fed4dd9fca6113b5a175ed7961bd86 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 27 Aug 2021 16:29:26 -0700
Subject: [PATCH 181/250] Don't lose reset info if reset==moved

It's not correct to just ignore reset particles when
the reset particles are the same as the moved
(the last-last score needs to be handled differently).
---
 modules/kernel/src/RestraintSet.cpp | 3 +--
 1 file changed, 1 insertion(+), 2 deletions(-)

diff --git a/modules/kernel/src/RestraintSet.cpp b/modules/kernel/src/RestraintSet.cpp
index 0ee10ec2da..d708ac9886 100644
--- a/modules/kernel/src/RestraintSet.cpp
+++ b/modules/kernel/src/RestraintSet.cpp
@@ -89,8 +89,7 @@ void RestraintSet::do_add_score_and_derivatives_moved(
   // evaluate the restraints that depend on that particle, and use the
   // last score for the rest
   if (!sa.get_derivative_accumulator() && moved_pis.size() == 1
-      && (reset_pis.size() == 0
-          || (reset_pis.size() == 1 && reset_pis[0] == moved_pis[0]))) {
+      && reset_pis.size() == 0) {
     const std::set<Restraint *> &rsset
            = get_model()->get_dependent_restraints(moved_pis[0]);
     for (unsigned int i = 0; i < get_number_of_restraints(); ++i) {

From ee393e5447f26975585838863391cefacfe5bae3 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 27 Aug 2021 16:46:52 -0700
Subject: [PATCH 182/250] Handle reset particles in LogWrapper

Speed up LogWrapper by using cached scores for
any restraints involving particles that have been
reset to their previous positions.
---
 modules/isd/src/LogWrapper.cpp       | 103 ++++++++++++++++++++++-----
 modules/isd/test/test_monte_carlo.py |  78 ++++++++++++++++++++
 2 files changed, 162 insertions(+), 19 deletions(-)
 create mode 100644 modules/isd/test/test_monte_carlo.py

diff --git a/modules/isd/src/LogWrapper.cpp b/modules/isd/src/LogWrapper.cpp
index 70bb300db5..3f1382e383 100644
--- a/modules/isd/src/LogWrapper.cpp
+++ b/modules/isd/src/LogWrapper.cpp
@@ -44,6 +44,32 @@ double LogWrapper::unprotected_evaluate(DerivativeAccumulator* accum) const {
     return score;
 }
 
+namespace {
+void add_last_score_restraint(Restraint *r, DerivativeAccumulator *accum,
+#if IMP_HAS_CHECKS >= IMP_INTERNAL
+                              const ParticleIndexes &moved_pis,
+                              const ParticleIndexes &reset_pis,
+#endif
+                              double &prob, double last_score) {
+  // If the restraint is new, get the full score
+  if (last_score == NO_MAX) {
+    double rsrval = r->unprotected_evaluate(accum);
+    r->set_last_score(rsrval);
+    prob *= rsrval;
+  } else {
+#if IMP_HAS_CHECKS >= IMP_INTERNAL
+    double rsrval = r->unprotected_evaluate_moved(accum, moved_pis,
+                                                  reset_pis);
+    IMP_INTERNAL_CHECK_FLOAT_EQUAL(
+           rsrval, last_score,
+           "Restraint " << *r
+           << " changed score even though particles didn't move");
+#endif
+    prob *= last_score;
+  }
+}
+}
+
 double LogWrapper::unprotected_evaluate_moved(
         DerivativeAccumulator* accum, const ParticleIndexes &moved_pis,
         const ParticleIndexes &reset_pis) const {
@@ -59,29 +85,17 @@ double LogWrapper::unprotected_evaluate_moved(
 
     for (unsigned int i = 0; i <get_number_of_restraints(); ++i) {
       Restraint *r = get_restraint(i);
-      if (rsset.find(r) == rsset.end()) {
-        double last_score = r->get_last_score();
-        // If the restraint is new, get the full score
-        if (last_score == NO_MAX) {
-          double rsrval = r->unprotected_evaluate(accum);
-          r->set_last_score(rsrval);
-          prob *= rsrval;
-        } else {
-#if IMP_HAS_CHECKS >= IMP_INTERNAL
-          double rsrval = r->unprotected_evaluate_moved(accum, moved_pis,
-                                                        reset_pis);
-          IMP_INTERNAL_CHECK_FLOAT_EQUAL(
-                 rsrval, last_score,
-                 "Restraint " << *r
-                 << " changed score even though particles didn't move");
-#endif
-          prob *= last_score;
-        }
-      } else {
+      if (rsset.find(r) != rsset.end()) {
         double rsrval = r->unprotected_evaluate_moved(accum, moved_pis,
                                                       reset_pis);
         r->set_last_score(rsrval);
         prob *= rsrval;
+      } else {
+        add_last_score_restraint(r, accum,
+#if IMP_HAS_CHECKS >= IMP_INTERNAL
+                                 moved_pis, reset_pis,
+#endif
+                                 prob, r->get_last_score());
       }
       if (prob<=std::numeric_limits<double>::min()*1000000.0){
         score=score-std::log(prob);
@@ -89,6 +103,57 @@ double LogWrapper::unprotected_evaluate_moved(
       }
     }
 
+    return score-std::log(prob);
+  // If we have *both* moved and reset particles, we need to check each
+  // restraint for both
+  } else if (!accum && moved_pis.size() == 1 && reset_pis.size() == 1) {
+    const std::set<Restraint *> &moved_set
+           = get_model()->get_dependent_restraints(moved_pis[0]);
+    const std::set<Restraint *> &reset_set
+           = get_model()->get_dependent_restraints(reset_pis[0]);
+
+    double prob = 1;
+    double score = 0;
+
+    for (unsigned int i = 0; i <get_number_of_restraints(); ++i) {
+      Restraint *r = get_restraint(i);
+      // must check moved first, since if a given restraint is affected by
+      // *both* moved and reset particles, we need to recalculate it
+      if (moved_set.find(r) != moved_set.end()) {
+        double rsrval;
+        // preserve last-last score if reset
+        if (reset_set.find(r) != reset_set.end()) {
+          double last_last_score = r->get_last_last_score();
+          rsrval = r->unprotected_evaluate_moved(accum, moved_pis, reset_pis);
+          r->set_last_score(rsrval);
+          r->set_last_last_score(last_last_score);
+        } else {
+          rsrval = r->unprotected_evaluate_moved(accum, moved_pis, reset_pis);
+          r->set_last_score(rsrval);
+        }
+        prob *= rsrval;
+      } else if (reset_set.find(r) != reset_set.end()) {
+        // If reset, we can use the last-but-one score
+        double score = r->get_last_last_score();
+        add_last_score_restraint(r, accum,
+#if IMP_HAS_CHECKS >= IMP_INTERNAL
+                                 moved_pis, reset_pis,
+#endif
+                                 prob, score);
+        r->set_last_score(score);
+      } else {
+        // If not moved, we can use the last score
+        add_last_score_restraint(r, accum,
+#if IMP_HAS_CHECKS >= IMP_INTERNAL
+                                 moved_pis, reset_pis,
+#endif
+                                 prob, r->get_last_score());
+      }
+      if (prob<=std::numeric_limits<double>::min()*1000000.0){
+        score=score-std::log(prob);
+        prob=1.0;
+      }
+    }
     return score-std::log(prob);
   } else {
     return unprotected_evaluate(accum);
diff --git a/modules/isd/test/test_monte_carlo.py b/modules/isd/test/test_monte_carlo.py
new file mode 100644
index 0000000000..80270d44eb
--- /dev/null
+++ b/modules/isd/test/test_monte_carlo.py
@@ -0,0 +1,78 @@
+import IMP
+import IMP.test
+import IMP.core
+import IMP.isd
+import IMP.container
+
+def setupnuisance(m, initialvalue, minvalue, maxvalue, isoptimized=True):
+
+    nuisance = IMP.isd.Scale.setup_particle(IMP.Particle(m), initialvalue)
+    if minvalue:
+        nuisance.set_lower(minvalue)
+    if maxvalue:
+        nuisance.set_upper(maxvalue)
+
+    nuisance.set_is_optimized(nuisance.get_nuisance_key(), isoptimized)
+
+    return nuisance
+
+
+def setup_system(coords):
+    m = IMP.Model()
+    mc = IMP.core.MonteCarlo(m)
+    ps = []
+    for i in range(len(coords)):
+        p = IMP.Particle(m)
+        d = IMP.core.XYZR.setup_particle(p)
+        ps.append(d)
+        d.set_coordinates(coords[i])
+        d.set_radius(.1)
+        d.set_coordinates_are_optimized(True)
+
+    sigma1 = setupnuisance(m, 1., 0, 100, False)
+    sigma2 = setupnuisance(m, 1., 0, 100, False)
+    psi = setupnuisance(m, 0.1, 0.0, 0.5, False)
+    r1 = IMP.isd.CrossLinkMSRestraint(m, 5.0, 0.5)
+    r1.add_contribution((ps[0], ps[1]), (sigma1, sigma2), psi)
+    r2 = IMP.isd.CrossLinkMSRestraint(m, 1.0, 0.01)
+    r2.add_contribution((ps[1], ps[2]), (sigma1, sigma2), psi)
+    r3 = IMP.isd.CrossLinkMSRestraint(m, 1.0, 0.01)
+    r3.add_contribution((ps[2], ps[3]), (sigma1, sigma2), psi)
+    lw = IMP.isd.LogWrapper([r1, r2, r3], 1.0)
+    mc.set_scoring_function(lw)
+    ms = [IMP.core.BallMover(m, x, 0.05) for x in ps[:5]]
+    ms.append(IMP.core.BallMover(m, ps[5:8], 0.05))
+    mv = IMP.core.SerialMover(ms)
+    mc.add_mover(mv)
+    # Always reject upwards moves
+    mc.set_kt(0.)
+    mc.set_return_best(False)
+    return m, mc
+
+
+class Tests(IMP.test.TestCase):
+
+    def test_moved_same_trajectory(self):
+        """MonteCarlo trajectory should not be changed by set_score_moved()"""
+        # This test is very similar to that in
+        # modules/core/test/test_monte_carlo.py but uses XLMS restraints
+        # together with LogWrapper rather than harmonic restraints with
+        # RestraintSet.
+        bb = IMP.algebra.get_unit_bounding_box_3d()
+        coords = [IMP.algebra.get_random_vector_in(bb) for _ in range(10)]
+        m1, mc1 = setup_system(coords)
+        m2, mc2 = setup_system(coords)
+
+        # Same seeed, same system, so we should get identical trajectories
+        IMP.random_number_generator.seed(99)
+        mc1_score = mc1.optimize(100)
+
+        mc2.set_score_moved(True)
+        IMP.random_number_generator.seed(99)
+        mc2_score = mc2.optimize(100)
+
+        self.assertAlmostEqual(mc1_score, mc2_score, delta=1e-2)
+
+
+if __name__ == '__main__':
+    IMP.test.main()

From 8b529e2898720d5819613e2ac7564cb93494e17e Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 27 Aug 2021 16:50:22 -0700
Subject: [PATCH 183/250] Pass moved info to LogWrapper children

---
 modules/isd/src/LogWrapper.cpp | 20 +++++++++++++++++++-
 1 file changed, 19 insertions(+), 1 deletion(-)

diff --git a/modules/isd/src/LogWrapper.cpp b/modules/isd/src/LogWrapper.cpp
index 3f1382e383..4c728139af 100644
--- a/modules/isd/src/LogWrapper.cpp
+++ b/modules/isd/src/LogWrapper.cpp
@@ -156,7 +156,25 @@ double LogWrapper::unprotected_evaluate_moved(
     }
     return score-std::log(prob);
   } else {
-    return unprotected_evaluate(accum);
+    double prob = 1;
+    double score = 0;
+
+    for (unsigned int i = 0; i <get_number_of_restraints(); ++i) {
+      double rsrval = get_restraint(i)->unprotected_evaluate_moved(
+                                           accum, moved_pis, reset_pis);
+      get_restraint(i)->set_last_score(rsrval);
+      prob *= rsrval;
+      if (prob<=std::numeric_limits<double>::min()*1000000.0){
+        score=score-std::log(prob);
+        prob=1.0;
+      }
+    }
+
+    score=score-std::log(prob);
+    if (accum) {
+      // derivatives should be accurately handled in the restraints
+    }
+    return score;
   }
 }
 

From 0c52c636896664d25b880ae16ef84046872be8fc Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Sat, 28 Aug 2021 00:07:54 -0700
Subject: [PATCH 184/250] Add ScoreStates to moved-particle MC tests

Make the scoring function dependent on at
least score ScoreState (here, one that updates
a Centroid) so that we can check that the
correct set of ScoreStates is called during
evaluate_moved().
---
 modules/core/test/test_monte_carlo.py | 6 +++++-
 modules/isd/test/test_monte_carlo.py  | 5 ++++-
 2 files changed, 9 insertions(+), 2 deletions(-)

diff --git a/modules/core/test/test_monte_carlo.py b/modules/core/test/test_monte_carlo.py
index 7ac807a7a2..7907fc8b83 100644
--- a/modules/core/test/test_monte_carlo.py
+++ b/modules/core/test/test_monte_carlo.py
@@ -15,12 +15,16 @@ def setup_system(coords):
         d.set_coordinates(coords[i])
         d.set_radius(.1)
         d.set_coordinates_are_optimized(True)
+    # Make the scoring function dependent on at least one ScoreState,
+    # so we can check that any needed states are updated
+    cent = IMP.core.Centroid.setup_particle(IMP.Particle(m), [ps[5], ps[6]])
     hps = IMP.core.HarmonicDistancePairScore(1, 100)
     r1 = IMP.core.PairRestraint(m, hps, [ps[0], ps[1]])
     r2 = IMP.core.PairRestraint(m, hps, [ps[1], ps[2]])
     r3 = IMP.core.PairRestraint(m, hps, [ps[2], ps[3]])
+    r4 = IMP.core.PairRestraint(m, hps, [ps[4], cent])
     rs = IMP.RestraintSet(m)
-    rs.add_restraints([r1, r2, r3])
+    rs.add_restraints([r1, r2, r3, r4])
     mc.set_scoring_function(rs)
     ms = [IMP.core.BallMover(m, x, 0.05) for x in ps[:5]]
     ms.append(IMP.core.BallMover(m, ps[5:8], 0.05))
diff --git a/modules/isd/test/test_monte_carlo.py b/modules/isd/test/test_monte_carlo.py
index 80270d44eb..722c2a51c1 100644
--- a/modules/isd/test/test_monte_carlo.py
+++ b/modules/isd/test/test_monte_carlo.py
@@ -28,6 +28,7 @@ def setup_system(coords):
         d.set_coordinates(coords[i])
         d.set_radius(.1)
         d.set_coordinates_are_optimized(True)
+    cent = IMP.core.Centroid.setup_particle(IMP.Particle(m), [ps[5], ps[6]])
 
     sigma1 = setupnuisance(m, 1., 0, 100, False)
     sigma2 = setupnuisance(m, 1., 0, 100, False)
@@ -38,7 +39,9 @@ def setup_system(coords):
     r2.add_contribution((ps[1], ps[2]), (sigma1, sigma2), psi)
     r3 = IMP.isd.CrossLinkMSRestraint(m, 1.0, 0.01)
     r3.add_contribution((ps[2], ps[3]), (sigma1, sigma2), psi)
-    lw = IMP.isd.LogWrapper([r1, r2, r3], 1.0)
+    r4 = IMP.isd.CrossLinkMSRestraint(m, 1.0, 0.01)
+    r4.add_contribution((ps[4], cent), (sigma1, sigma2), psi)
+    lw = IMP.isd.LogWrapper([r1, r2, r3, r4], 1.0)
     mc.set_scoring_function(lw)
     ms = [IMP.core.BallMover(m, x, 0.05) for x in ps[:5]]
     ms.append(IMP.core.BallMover(m, ps[5:8], 0.05))

From 4f9cd6858feb39cd2567fceef6485435775fcb48 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Sat, 28 Aug 2021 00:58:01 -0700
Subject: [PATCH 185/250] Handle ScoreStates acting on reset particles

Speed up ScoreStates by skipping any state that
is explicitly marked as skippable and that is
not an input or an output of either moved or
reset particles.
---
 modules/kernel/include/ScoringFunction.h      |  2 +-
 .../include/internal/moved_particles_cache.h  | 12 ++----
 modules/kernel/src/ScoringFunction.cpp        | 39 +++++++++++++++++--
 .../src/internal/moved_particles_cache.cpp    | 28 ++-----------
 4 files changed, 43 insertions(+), 38 deletions(-)

diff --git a/modules/kernel/include/ScoringFunction.h b/modules/kernel/include/ScoringFunction.h
index e490a06995..4b5afc15ff 100644
--- a/modules/kernel/include/ScoringFunction.h
+++ b/modules/kernel/include/ScoringFunction.h
@@ -46,7 +46,7 @@ class IMPKERNELEXPORT ScoringFunction : public ModelObject {
   // time when moved_particles_cache_ was last updated, or 0
   unsigned moved_particles_cache_age_;
 
-  const ScoreStatesTemp& get_moved_required_score_states(
+  ScoreStatesTemp get_moved_required_score_states(
                                const ParticleIndexes &moved_pis,
                                const ParticleIndexes &reset_pis);
 
diff --git a/modules/kernel/include/internal/moved_particles_cache.h b/modules/kernel/include/internal/moved_particles_cache.h
index 06776538d7..f13234c0fd 100644
--- a/modules/kernel/include/internal/moved_particles_cache.h
+++ b/modules/kernel/include/internal/moved_particles_cache.h
@@ -41,19 +41,15 @@ class MovedParticlesRestraintCache {
 //! Cache ScoreStates that change when a Particle moves
 class MovedParticlesScoreStateCache {
   Model *m_;
-  typedef std::map<ParticleIndex, ScoreStatesTemp> CacheMap;
+  typedef std::map<ParticleIndex, std::set<ScoreState *> > CacheMap;
   CacheMap cache_;
 
 public:
   MovedParticlesScoreStateCache(Model *m) : m_(m) {}
 
-  //! Get a list of all ScoreStates affected by this particle
-  /** The list is a subset of ScoreStates that the given ScoringFunction
-      requires, that either take the particle as input/output or are marked
-      as always requiring evaluation (e.g. for logging).
-    */
-  const ScoreStatesTemp &get_affected_score_states(ParticleIndex pi,
-                                                   ScoringFunction *sf);
+  //! Get the set of all ScoreStates affected by this particle
+  /** The set is all ScoreStates that take the particle as input/output. */
+  const std::set<ScoreState *> &get_affected_score_states(ParticleIndex pi);
 
   // clear when dependency graph changes, and/or
   // particles/scorestates added/removed
diff --git a/modules/kernel/src/ScoringFunction.cpp b/modules/kernel/src/ScoringFunction.cpp
index f612f4ad62..e1272192ad 100644
--- a/modules/kernel/src/ScoringFunction.cpp
+++ b/modules/kernel/src/ScoringFunction.cpp
@@ -68,18 +68,49 @@ double ScoringFunction::evaluate(bool derivatives) {
   return es_.score;
 }
 
-const ScoreStatesTemp& ScoringFunction::get_moved_required_score_states(
+namespace {
+class should_skip_score_state {
+  const std::set<ScoreState *> &needed_ss_;
+public:
+  should_skip_score_state(const std::set<ScoreState *> &needed_ss)
+       : needed_ss_(needed_ss) {}
+
+  bool operator()(const ScoreState *ss) {
+    return ss->get_can_skip()
+        && needed_ss_.find(const_cast<ScoreState *>(ss)) == needed_ss_.end();
+  }
+};
+}
+
+ScoreStatesTemp ScoringFunction::get_moved_required_score_states(
                                const ParticleIndexes &moved_pis,
                                const ParticleIndexes &reset_pis) {
-  if (moved_pis.size() == 1 && reset_pis.size() == 0) {
+  if (moved_pis.size() <= 1 && reset_pis.size() <= 1) {
     // Clear cache if dependencies changed
     unsigned dependencies_age = get_model()->get_dependencies_updated();
     if (moved_particles_cache_age_ != dependencies_age) {
       moved_particles_cache_age_ = dependencies_age;
       moved_particles_cache_.clear();
     }
-    return moved_particles_cache_.get_affected_score_states(
-                                              moved_pis[0], this);
+    set_has_required_score_states(true);
+    ScoreStatesTemp allss = get_required_score_states();
+    std::set<ScoreState *> sset;
+    if (moved_pis.size() == 1) {
+      const std::set<ScoreState *> &moved_set =
+            moved_particles_cache_.get_affected_score_states(moved_pis[0]);
+      sset.insert(moved_set.begin(), moved_set.end());
+    }
+    if (reset_pis.size() == 1) {
+      const std::set<ScoreState *> &reset_set =
+            moved_particles_cache_.get_affected_score_states(reset_pis[0]);
+      sset.insert(reset_set.begin(), reset_set.end());
+    }
+    // Remove any ScoreState that can be skipped and that
+    // doesn't affect the moved/reset particle(s)
+    allss.erase(std::remove_if(allss.begin(), allss.end(),
+                               should_skip_score_state(sset)),
+                allss.end());
+    return allss;
   } else {
     set_has_required_score_states(true);
     return get_required_score_states();
diff --git a/modules/kernel/src/internal/moved_particles_cache.cpp b/modules/kernel/src/internal/moved_particles_cache.cpp
index c2707c7648..2f04c2716c 100644
--- a/modules/kernel/src/internal/moved_particles_cache.cpp
+++ b/modules/kernel/src/internal/moved_particles_cache.cpp
@@ -25,27 +25,10 @@ MovedParticlesRestraintCache::get_dependent_restraints(ParticleIndex pi) {
   return it->second;
 }
 
-namespace {
-class should_skip_score_state {
-  const std::set<ScoreState *> &needed_ss_;
-public:
-  should_skip_score_state(const std::set<ScoreState *> &needed_ss)
-       : needed_ss_(needed_ss) {}
-
-  bool operator()(const ScoreState *ss) {
-    return ss->get_can_skip()
-        && needed_ss_.find(const_cast<ScoreState *>(ss)) == needed_ss_.end();
-  }
-};
-}
-
-const ScoreStatesTemp&
-MovedParticlesScoreStateCache::get_affected_score_states(ParticleIndex pi,
-                                                         ScoringFunction *sf) {
+const std::set<ScoreState *> &
+MovedParticlesScoreStateCache::get_affected_score_states(ParticleIndex pi) {
   CacheMap::const_iterator it = cache_.find(pi);
   if (it == cache_.end()) {
-    sf->set_has_required_score_states(true);
-    ScoreStatesTemp allss = sf->get_required_score_states();
     ScoreStatesTemp pssin = IMP::get_dependent_score_states(m_, pi);
     // We should not be moving a particle that will just be overwritten by
     // a ScoreState, but include these anyway to make sure the Model stays
@@ -53,12 +36,7 @@ MovedParticlesScoreStateCache::get_affected_score_states(ParticleIndex pi,
     ScoreStatesTemp pssout = IMP::get_required_score_states(m_, pi);
     std::set<ScoreState *> pss_set(pssin.begin(), pssin.end());
     pss_set.insert(pssout.begin(), pssout.end());
-    // Remove any ScoreState that can be skipped and that
-    // doesn't affect the particle
-    allss.erase(std::remove_if(allss.begin(), allss.end(),
-                               should_skip_score_state(pss_set)),
-                allss.end());
-    cache_[pi] = allss;
+    cache_[pi] = pss_set;
     it = cache_.find(pi);
   }
   return it->second;

From 2968ff02579df27f269f4194fd9588f5cae63e8b Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Sat, 28 Aug 2021 09:35:08 -0700
Subject: [PATCH 186/250] Fix to work with older Pythons

Only one unpacking is allowed in an argument
list prior to PEP 448.
---
 modules/core/test/test_rigid_body_initial_reference_frame.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/core/test/test_rigid_body_initial_reference_frame.py b/modules/core/test/test_rigid_body_initial_reference_frame.py
index 644e18785c..446e2698bc 100644
--- a/modules/core/test/test_rigid_body_initial_reference_frame.py
+++ b/modules/core/test/test_rigid_body_initial_reference_frame.py
@@ -61,7 +61,7 @@ def _get_body_centric_reference_frame_params(self, rb):
         rf = IMP.core.get_initial_reference_frame(ps)
         q = rf.get_transformation_to().get_rotation().get_quaternion()
         v = rf.get_transformation_to().get_translation()
-        return (*v, *q)
+        return list(v) + list(q)
 
     def _test_conf_against_reference(self, rbs, rbs_ref):
         # get reference frame params before alignment

From 4588ce64cb510d80cca321f832722c073672dda8 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Sat, 28 Aug 2021 09:38:26 -0700
Subject: [PATCH 187/250] LogWrapper children now get move info

---
 modules/isd/test/test_log_wrapper.py | 16 ++++++++--------
 1 file changed, 8 insertions(+), 8 deletions(-)

diff --git a/modules/isd/test/test_log_wrapper.py b/modules/isd/test/test_log_wrapper.py
index 512afb2e37..b410ef2919 100644
--- a/modules/isd/test/test_log_wrapper.py
+++ b/modules/isd/test/test_log_wrapper.py
@@ -78,21 +78,21 @@ def clear_restraints():
         assert_restraint_skipped(r1)
         assert_restraint_evaluate_moved(r4)
 
-        # Moves of multiple particles are not currently handled and will
-        # fall back to plain evaluate
+        # Moves of multiple particles are not specially handled but will
+        # pass through to evaluate_moved
         clear_restraints()
         self.assertAlmostEqual(lw.evaluate_moved(False, [p1, p2], []),
                                -6.908, delta=1e-3)
-        assert_restraint_evaluate(r1)
-        assert_restraint_evaluate(r4)
+        assert_restraint_evaluate_moved(r1)
+        assert_restraint_evaluate_moved(r4)
 
-        # Moves with derivatives are not currently handled and will
-        # fall back to plain evaluate
+        # Moves with derivatives are not specially handled but will
+        # pass through to evaluate_moved
         clear_restraints()
         self.assertAlmostEqual(lw.evaluate_moved(True, [p1], []),
                                -6.908, delta=1e-3)
-        assert_restraint_evaluate(r1)
-        assert_restraint_evaluate(r4)
+        assert_restraint_evaluate_moved(r1)
+        assert_restraint_evaluate_moved(r4)
 
         # Newly-added restraints should use regular evaluate to get first score
         clear_restraints()

From 02f3c1f0891025e9185721d505269a2299d0211d Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Sun, 29 Aug 2021 18:55:37 -0700
Subject: [PATCH 188/250] Mark slower test as 'medium'

This test times out when run in debug mode on our Macs,
so make it a medium test.
---
 ...frame.py => medium_test_rigid_body_initial_reference_frame.py} | 0
 1 file changed, 0 insertions(+), 0 deletions(-)
 rename modules/core/test/{test_rigid_body_initial_reference_frame.py => medium_test_rigid_body_initial_reference_frame.py} (100%)

diff --git a/modules/core/test/test_rigid_body_initial_reference_frame.py b/modules/core/test/medium_test_rigid_body_initial_reference_frame.py
similarity index 100%
rename from modules/core/test/test_rigid_body_initial_reference_frame.py
rename to modules/core/test/medium_test_rigid_body_initial_reference_frame.py

From 294c871301821a82786cff1f7bf30128fa8b3e0f Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 30 Aug 2021 13:52:44 -0700
Subject: [PATCH 189/250] Get latest PMI1

---
 modules/pmi1 | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/pmi1 b/modules/pmi1
index fbdbbdf596..241dfe28e2 160000
--- a/modules/pmi1
+++ b/modules/pmi1
@@ -1 +1 @@
-Subproject commit fbdbbdf5960e65959c39b0c4c0d3379935093d27
+Subproject commit 241dfe28e2d89e18ebdf72c42c6fb7de347fa6f5

From 6c8a481646dc1eee0ccaa5c58c6a8e462acce8b7 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 30 Aug 2021 14:16:46 -0700
Subject: [PATCH 190/250] Squashed 'modules/core/dependency/python-ihm/'
 changes from f09c025bb6..5d4e0173d2

5d4e0173d2 Add citation for any comparative model found
1c25ccdf3e Add citations for Phyre2 and SWISS-MODEL
d2e1e0f9be Provide citations for some commonly-used packages.

git-subtree-dir: modules/core/dependency/python-ihm
git-subtree-split: 5d4e0173d2cb166ba34684b3e8eb3a209fcdd9e2
---
 .../core/dependency/python-ihm/ChangeLog.rst  |  7 ++
 .../dependency/python-ihm/docs/citations.rst  | 45 +++++++++
 .../core/dependency/python-ihm/docs/index.rst |  1 +
 .../dependency/python-ihm/ihm/citations.py    | 91 +++++++++++++++++++
 .../dependency/python-ihm/ihm/metadata.py     | 10 +-
 .../python-ihm/test/test_citations.py         | 20 ++++
 6 files changed, 171 insertions(+), 3 deletions(-)
 create mode 100644 modules/core/dependency/python-ihm/docs/citations.rst
 create mode 100644 modules/core/dependency/python-ihm/ihm/citations.py
 create mode 100644 modules/core/dependency/python-ihm/test/test_citations.py

diff --git a/modules/core/dependency/python-ihm/ChangeLog.rst b/modules/core/dependency/python-ihm/ChangeLog.rst
index 67706a60c9..791dc48815 100644
--- a/modules/core/dependency/python-ihm/ChangeLog.rst
+++ b/modules/core/dependency/python-ihm/ChangeLog.rst
@@ -1,3 +1,10 @@
+HEAD
+====
+  - The :class:`ihm.Software` class now allows a citation for the software
+    to be provided.
+  - A new :mod:`ihm.citations` module contains citations for some packages
+    that are commonly used in integrative modeling.
+
 0.21 - 2021-07-14
 =================
   - BinaryCIF files now use UTF8 msgpack strings for all text, rather than
diff --git a/modules/core/dependency/python-ihm/docs/citations.rst b/modules/core/dependency/python-ihm/docs/citations.rst
new file mode 100644
index 0000000000..853857b1f0
--- /dev/null
+++ b/modules/core/dependency/python-ihm/docs/citations.rst
@@ -0,0 +1,45 @@
+.. highlight:: rest
+
+.. _citations_module:
+
+The :mod:`ihm.citations` Python module
+======================================
+
+.. automodule:: ihm.citations
+
+.. data:: imp
+
+   The Integrative Modeling Platform (IMP).
+
+.. data:: pmi
+
+   The PMI module of the Integrative Modeling Platform (IMP).
+
+.. data:: modeller
+
+   MODELLER, comparative modeling by satisfaction of spatial restraints.
+
+.. data:: psipred
+
+   PSIPRED, protein secondary structure prediction based on position-specific
+   scoring matrices.
+
+.. data:: disopred
+
+   DISOPRED, disordered region prediction.
+
+.. data:: hhpred
+
+   HHpred, protein homology detection and structure prediction.
+
+.. data:: relion
+
+   RELION, a Bayesian approach for cryo-EM structure determination.
+
+.. data:: phyre2
+
+   Phyre2, a web portal for protein modeling, prediction and analysis.
+
+.. data:: swiss_model
+
+   SWISS-MODEL: homology modeling of protein structures and complexes.
diff --git a/modules/core/dependency/python-ihm/docs/index.rst b/modules/core/dependency/python-ihm/docs/index.rst
index c01c14311c..e48d60be00 100644
--- a/modules/core/dependency/python-ihm/docs/index.rst
+++ b/modules/core/dependency/python-ihm/docs/index.rst
@@ -38,6 +38,7 @@ API Reference:
    geometry
    restraint
    cross_linkers
+   citations
    protocol
    analysis
    model
diff --git a/modules/core/dependency/python-ihm/ihm/citations.py b/modules/core/dependency/python-ihm/ihm/citations.py
new file mode 100644
index 0000000000..e3b542c194
--- /dev/null
+++ b/modules/core/dependency/python-ihm/ihm/citations.py
@@ -0,0 +1,91 @@
+# -*- coding: utf-8 -*-
+
+"""Citations for some commonly-used software packages.
+
+   Each of these is an instance of the :class:`ihm.Citation` class,
+   and so can be used anywhere these objects are required, generally for
+   :class:`ihm.Software`.
+"""
+
+import ihm
+
+
+imp = ihm.Citation(
+    pmid='22272186',
+    title='Putting the pieces together: integrative modeling platform '
+          'software for structure determination of macromolecular assemblies',
+    journal='PLoS Biol', volume=10, page_range='e1001244', year=2012,
+    authors=['Russel D', 'Lasker K', 'Webb B', 'Velázquez-Muriel J', 'Tjioe E',
+             'Schneidman-Duhovny D', 'Peterson B', 'Sali A'],
+    doi='10.1371/journal.pbio.1001244')
+
+
+pmi = ihm.Citation(
+    pmid='31396911',
+    title='Modeling Biological Complexes Using Integrative Modeling Platform.',
+    journal='Methods Mol Biol', volume=2022, page_range=(353, 377), year=2019,
+    authors=['Saltzberg D', 'Greenberg CH', 'Viswanath S', 'Chemmama I',
+             'Webb B', 'Pellarin R', 'Echeverria I', 'Sali A'],
+    doi='10.1007/978-1-4939-9608-7_15')
+
+
+modeller = ihm.Citation(
+    pmid='8254673',
+    title='Comparative protein modelling by satisfaction of '
+          'spatial restraints.',
+    journal='J Mol Biol', volume=234, page_range=(779, 815), year=1993,
+    authors=['Sali A', 'Blundell TL'], doi='10.1006/jmbi.1993.1626')
+
+
+psipred = ihm.Citation(
+    pmid='10493868',
+    title='Protein secondary structure prediction based on position-specific '
+          'scoring matrices.',
+    journal='J Mol Biol', volume=292, page_range=(195, 202), year=1999,
+    authors=['Jones DT'], doi='10.1006/jmbi.1999.3091')
+
+
+disopred = ihm.Citation(
+    pmid='25391399',
+    title='DISOPRED3: precise disordered region predictions with annotated '
+          'protein-binding activity.',
+    journal='Bioinformatics', volume=31, page_range=(857, 863), year=2015,
+    authors=['Jones DT', 'Cozzetto D'], doi='10.1093/bioinformatics/btu744')
+
+
+hhpred = ihm.Citation(
+    pmid='15980461',
+    title='The HHpred interactive server for protein homology detection '
+          'and structure prediction.',
+    journal='Nucleic Acids Res', volume=33, page_range=('W244', 'W248'),
+    year=2005, authors=['Söding J', 'Biegert A', 'Lupas AN'],
+    doi='10.1093/nar/gki408')
+
+
+relion = ihm.Citation(
+    pmid='23000701',
+    title='RELION: implementation of a Bayesian approach to cryo-EM '
+          'structure determination.',
+    journal='J Struct Biol', volume=180, page_range=(519, 530), year=2012,
+    authors=['Scheres SH'], doi='10.1016/j.jsb.2012.09.006')
+
+
+phyre2 = ihm.Citation(
+    pmid='25950237',
+    title='The Phyre2 web portal for protein modeling, prediction '
+          'and analysis.',
+    journal='Nat Protoc', volume=10, page_range=('845', '858'), year=2015,
+    authors=['Kelley LA', 'Mezulis S', 'Yates CM', 'Wass MN', 'Sternberg MJ'],
+    doi='10.1038/nprot.2015.053')
+
+
+swiss_model = ihm.Citation(
+    pmid='29788355',
+    title='SWISS-MODEL: homology modelling of protein structures '
+          'and complexes.',
+    journal='Nucleic Acids Res', volume=46, page_range=('W296', 'W303'),
+    year=2018,
+    authors=['Waterhouse A', 'Bertoni M', 'Bienert S', 'Studer G',
+             'Tauriello G', 'Gumienny R', 'Heer FT', 'de Beer TAP',
+             'Rempfer C', 'Bordoli L', 'Lepore R', 'Schwede T'],
+    doi='10.1093/nar/gky427')
diff --git a/modules/core/dependency/python-ihm/ihm/metadata.py b/modules/core/dependency/python-ihm/ihm/metadata.py
index ea8ea8e473..9382615bbb 100644
--- a/modules/core/dependency/python-ihm/ihm/metadata.py
+++ b/modules/core/dependency/python-ihm/ihm/metadata.py
@@ -14,6 +14,7 @@
 from . import location, dataset, startmodel, util
 from .startmodel import SequenceIdentityDenominator
 import ihm.source
+import ihm.citations
 
 import operator
 import struct
@@ -365,7 +366,8 @@ def _parse_modeller_model(self, fh, first_line, local_file, filename, ret):
             description='Comparative modeling by satisfaction '
                         'of spatial restraints, build ' + date,
             location='https://salilab.org/modeller/',
-            version=version)
+            version=version,
+            citation=ihm.citations.modeller)
         ret['software'].append(s)
         self._handle_comparative_model(local_file, filename, ret)
 
@@ -375,7 +377,8 @@ def _parse_phyre_model(self, fh, first_line, local_file, filename, ret):
             name='Phyre2', classification='protein homology modeling',
             description='Protein Homology/analogY Recognition '
                         'Engine V 2.0',
-            version='2.0', location='http://www.sbg.bio.ic.ac.uk/~phyre2/')
+            version='2.0', location='http://www.sbg.bio.ic.ac.uk/~phyre2/',
+            citation=ihm.citations.phyre2)
         ret['software'].append(s)
         self._handle_comparative_model(local_file, filename, ret)
 
@@ -388,7 +391,8 @@ def _parse_swiss_model(self, fh, first_line, local_file, filename, ret):
                         'structures and complexes, using %s engine'
                         % meta.get('info', {}).get('ENGIN', 'unknown'),
             version=meta.get('info', {}).get('VERSN', ihm.unknown),
-            location='https://swissmodel.expasy.org/')
+            location='https://swissmodel.expasy.org/',
+            citation=ihm.citations.swiss_model)
         ret['software'].append(s)
         comp_model_ds = dataset.ComparativeModelDataset(local_file)
         ret['dataset'] = comp_model_ds
diff --git a/modules/core/dependency/python-ihm/test/test_citations.py b/modules/core/dependency/python-ihm/test/test_citations.py
new file mode 100644
index 0000000000..6da04b7e66
--- /dev/null
+++ b/modules/core/dependency/python-ihm/test/test_citations.py
@@ -0,0 +1,20 @@
+import utils
+import os
+import unittest
+
+TOPDIR = os.path.abspath(os.path.join(os.path.dirname(__file__), '..'))
+utils.set_search_paths(TOPDIR)
+import ihm.citations
+
+
+class Tests(unittest.TestCase):
+
+    def test_citations(self):
+        """Test citations module"""
+        pmi = ihm.citations.pmi
+        self.assertEqual(pmi.pmid, '31396911')
+        self.assertEqual(pmi.doi, '10.1007/978-1-4939-9608-7_15')
+
+
+if __name__ == '__main__':
+    unittest.main()

From cdf47527441721d47a1a4b82217ce906ccbc575e Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 30 Aug 2021 23:24:26 -0700
Subject: [PATCH 191/250] Squashed 'modules/pmi/' changes from
 0e83ae4d9c..8126af942a

8126af942a Remove COM particle when we're done with it

git-subtree-dir: modules/pmi
git-subtree-split: 8126af942a8f7f944b0815712ae3c9c18643ae04
---
 modules/pmi/pyext/src/dof/__init__.py | 7 +++++++
 1 file changed, 7 insertions(+)

diff --git a/modules/pmi/pyext/src/dof/__init__.py b/modules/pmi/pyext/src/dof/__init__.py
index 621a864115..310e378907 100644
--- a/modules/pmi/pyext/src/dof/__init__.py
+++ b/modules/pmi/pyext/src/dof/__init__.py
@@ -154,6 +154,13 @@ def create_rigid_body(self, rigid_parts, nonrigid_parts=None,
             com = IMP.atom.CenterOfMass.setup_particle(IMP.Particle(model),
                                                        hiers)
             comcoor = IMP.core.XYZ(com).get_coordinates()
+
+            # Don't needlessly update the COM of this particle for the
+            # entire sampling run; we are done with both the ScoreState
+            # and the Particle.
+            IMP.atom.CenterOfMass.teardown_particle(com)
+            model.remove_particle(com)
+
             tr = IMP.algebra.Transformation3D(
                 IMP.algebra.get_identity_rotation_3d(), comcoor)
             rf = IMP.algebra.ReferenceFrame3D(tr)

From ed018eff7b830a1bdcb5e8517023715dfe3e0f50 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 7 Sep 2021 15:20:30 -0700
Subject: [PATCH 192/250] Fix typos

---
 ChangeLog.md | 8 ++++----
 1 file changed, 4 insertions(+), 4 deletions(-)

diff --git a/ChangeLog.md b/ChangeLog.md
index 3964ffca7f..faa4246531 100644
--- a/ChangeLog.md
+++ b/ChangeLog.md
@@ -582,7 +582,7 @@ tools/git/developer_tools/init_git if you have an existing clone.
 - 11/3: IMP::container::InContainerPairFilter and friends now treat pairs as unordered. A flag was added to control this.
 - 9/5: IMP::base::Object classes now have a method IMP::base::Object::clear_caches() that clears all cache data in the object. This is not universally implemented, but now provides a correct path for doing that. The IMP_LIST() type macros call that method when their contents changes.
 ## Summer 2012
-- 7/3: IMP_PERIODIC_OPTIMIZER_STATE() was superceded by the class IMP::core::PeriodicOptimizerState as it is rather cleaner than the macro.
+- 7/3: IMP_PERIODIC_OPTIMIZER_STATE() was superseded by the class IMP::core::PeriodicOptimizerState as it is rather cleaner than the macro.
 - 7/2: in order to make various base classes in IMP more Python friendly, macros IMP_PROTECTED_METHOD(), IMP_PROTECTED_CONSTRUCTOR() were added that properly expose such methods to Python. The standards checks now complain if \c protected is used an a class in the API.
 - 6/24: Executables from \c module/bin are now put in \b build/module_bin/module. This removes a recurring source of errors in the build script due to the origin and destination directory have the same name in scons.
 - 6/24: Benchmarks are now put int \c module/benchmark and build to \c build/benchmark/module to remove a recurring source of errors.
@@ -590,7 +590,7 @@ tools/git/developer_tools/init_git if you have an existing clone.
 - 6/12: The naming rules for .i files that are in module \c pyext directories changed. They should now be \c IMP_modulename.name.i instead of \c IMP_modulename_name.i. This is to better support underscores in names.
 ## Winter 2011/2012
 - 20/4: A method, IMP::atom::read_pdb(IMP::base::TextInput, int, IMP::atom::Hierarchy), was added to load coordinates from a pdb file into an existing IMP::atom::Hierarchy.
-- 4/4: the filter types were superceded by the predicate types. You will only see a difference if you develop a filter class (eg IMP::PairFilter -derived class) or directly call methods on filters (specifically IMP::PairFilter::get_contains()).
+- 4/4: the filter types were superseded by the predicate types. You will only see a difference if you develop a filter class (eg IMP::PairFilter -derived class) or directly call methods on filters (specifically IMP::PairFilter::get_contains()).
 - 29/3: IMP::Particle::get_has_model() has been changed to IMP::ModelObject::get_is_part_of_model() to be consistent with other classes.
 - 28/3: IMP::core::Mover changed slightly, adding an extra method IMP::core::Mover::get_output_particles() and requiring the IMP::Model be passed to the constructor. All movers in IMP SVN were updated without any difficulty. This allows movers to use information contained in the dependency graph amongst particles so they can, for example, weight moves based on scores.
 - 26/3: IMP::SingletonContainerInput etc were added. Methods that take these as their arguments can be passed either containers or lists of particles (or tuples), as convenient. All methods that take IMP::SingletonContainer objects should eventually move over to taking this (changing just requires changing the argument from a pointer to an Input).
@@ -617,7 +617,7 @@ tools/git/developer_tools/init_git if you have an existing clone.
 - IMP::compatibility::checked_vector was renamed to IMP::compatibility::vector and made available to IMP as IMP::vector. Typedefs should use this type (IMP::vector).
 - Various IMP::algebra plural typedefs which had been using std::vector (since they never were updated), have now been moved to IMP::vector.
 - IMP::statistics::HistogramD now supports display with \c matplotlib.
-- IMP::statistics::HistogramD supercedes IMP::statistics::Histogram
+- IMP::statistics::HistogramD supersedes IMP::statistics::Histogram
 - predicate base classes have been added: IMP::SingletonPredicate, IMP::PairPredicate etc. These take particles and return an integer. Current functionality using them includes IMP::core::PredicateSingletonScore that uses a predicate to choose which score to apply.
 - the core generic restraint and score state support was moved to the kernel to avoid breaking various scores outside of IMP svn.
 - the IMP::display module was refactored and moved up to be a dependency of IMP::core and IMP::atom rather than vice versa. The main observable results are that you should now use IMP::atom::HierarchyGeometry, IMP::atom::SelectionGeometry, IMP::atom::HierarchiesGeometry, IMP::core::XYZRGeometry, IMP::atom::BondGeometry etc instead of finding them in IMP::display. This change means that, display can be used internally when testing and debugging functionality in IMP::core and IMP::atom and that tests that use IMP::display don't need to build all of IMP::atom.
@@ -686,7 +686,7 @@ tools/git/developer_tools/init_git if you have an existing clone.
 - the name of the clustering methods have been changed to create_ from get_ since they create objects.
 - the names of the recently added metric based clustering support has been changed to Metric rather than Distance.
 - IMP now has the ability to have certain tests designated as expensive and to skip those tests when test-fast is run. The motivation for this is that the tests take a really long time making it impractical to run before every commit. And it is hard to tell which tests have not been run when running with the necessary multiple build processes. My thought is that tests that take about a second or less on a debug build should be left along (this is probably  >95% of the tests), but the few that take longer should be marked as expensive. To do that, rename the test to expensive_text_XXX.py (from test_XXX.py) and add expensive_python_tests= env.IMPModuleGetExpensivePythonTests() to the IMPModuleTest call in the test SConscript.
-- the fuction IMP::display::create_restraint_geometry() was added to do what its name says.
+- the function IMP::display::create_restraint_geometry() was added to do what its name says.
 - runtime dimensional geometric objects have been added. These include IMP::algebra::VectorKD, IMP::algebra::BoundingBoxKD and IMP::algebra::SphereKD. The IMP::statistics::Embedding classes now use IMP::algebra::VectorKD instead of Floats. The sparse grids also support variable dimensions as to the nearest neighbor searches.
 - IMP::atom::DopePairScore has been added to IMP.
 - IMP::atom::CHARMMStereochemistryRestraint provides a high-level simplified

From ad13e7421164f26af974adba2ac89a25c154b366 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 7 Sep 2021 15:41:28 -0700
Subject: [PATCH 193/250] Handle */ in module README.md

Since we wrap everything in README.md in
a C++ comment before we pass it to doxygen,
a literal */ in the text (as happens for IMP.sampcon)
will cause doxygen to truncate the page at that
point. Work around this by escaping the sequence and
reverting it in the final HTML.
---
 tools/build/doxygen_fix_links.py | 5 +++++
 tools/build/setup_module.py      | 4 ++++
 2 files changed, 9 insertions(+)

diff --git a/tools/build/doxygen_fix_links.py b/tools/build/doxygen_fix_links.py
index 79c5b281ff..7733f2fa42 100755
--- a/tools/build/doxygen_fix_links.py
+++ b/tools/build/doxygen_fix_links.py
@@ -33,6 +33,11 @@
     for line in open(f):
         out = r1.sub(r'\2', line)
         out = r2.sub(r'<img src="\2" alt="\1">', out)
+        # setup_module.py replaced */ with *\/ so that doxygen didn't think
+        # */ in Markdown terminated the page (which was wrapped in a C++
+        # comment). Revert that replacement here so that the HTML output
+        # looks as intended.
+        out = out.replace(r'*\/', '*/')
         outf.write(out)
     outf.close()
     os.rename(f + '.out', f)
diff --git a/tools/build/setup_module.py b/tools/build/setup_module.py
index 78dc31539b..55ba8ffb35 100755
--- a/tools/build/setup_module.py
+++ b/tools/build/setup_module.py
@@ -394,6 +394,10 @@ def make_overview(module, cmdline_tools):
                 open(os.path.join("build_info",
                                   "IMP_%s.pck" % module.name), 'wb'), -1)
     rmd = tools.open_utf8(os.path.join(module.path, "README.md"), "r").read()
+    # Since we wrap everything in a C++ comment, make sure nothing in the
+    # Markdown closes this comment (and thus truncates the page). This fixes
+    # truncation of the help page for IMP.sampcon.
+    rmd = rmd.replace('*/', '*\/')
     tools.rewrite(
         os.path.join("doxygen", "generated", "IMP_%s.dox" % module.name),
         """/** \\namespace %s

From 4d4c6643c9ddbdcb1f20c80b61424f2d966e7f6b Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 7 Sep 2021 15:48:35 -0700
Subject: [PATCH 194/250] Fix invalid escape sequence

---
 tools/build/setup_module.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tools/build/setup_module.py b/tools/build/setup_module.py
index 55ba8ffb35..a69ad083c6 100755
--- a/tools/build/setup_module.py
+++ b/tools/build/setup_module.py
@@ -397,7 +397,7 @@ def make_overview(module, cmdline_tools):
     # Since we wrap everything in a C++ comment, make sure nothing in the
     # Markdown closes this comment (and thus truncates the page). This fixes
     # truncation of the help page for IMP.sampcon.
-    rmd = rmd.replace('*/', '*\/')
+    rmd = rmd.replace('*/', r'*\/')
     tools.rewrite(
         os.path.join("doxygen", "generated", "IMP_%s.dox" % module.name),
         """/** \\namespace %s

From 4d960e2237d16df69aa813cf2f46895b6325959f Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 8 Sep 2021 15:26:57 -0700
Subject: [PATCH 195/250] Add an example of using NumPy with DensityMap

---
 modules/em/examples/numpy_data.py | 35 +++++++++++++++++++++++++++++++
 1 file changed, 35 insertions(+)
 create mode 100644 modules/em/examples/numpy_data.py

diff --git a/modules/em/examples/numpy_data.py b/modules/em/examples/numpy_data.py
new file mode 100644
index 0000000000..a93ff33f31
--- /dev/null
+++ b/modules/em/examples/numpy_data.py
@@ -0,0 +1,35 @@
+## \example em/numpy_data.py
+# Accessing density map data directly using NumPy.
+
+from __future__ import print_function
+import IMP.em
+import IMP.core
+import IMP.atom
+import sys
+
+IMP.setup_from_argv(sys.argv, "numpy data")
+
+if not IMP.IMP_KERNEL_HAS_NUMPY:
+    print("IMP was not built with NumPy support.")
+    sys.exit(0)
+
+dmap = IMP.em.read_map(
+    IMP.em.get_example_path("input.mrc"), IMP.em.MRCReaderWriter())
+
+# We can get the actual voxel data as a 3D NumPy array
+# This is a view of the data in `dmap`, not a copy, so is efficient
+# (however, it should not be used after the `dmap` object itself is destroyed).
+m = dmap.get_data()
+print(m.shape)
+
+# We can use any NumPy method to query the data
+print(m.min(), m.mean(), m.max())
+
+# Count all voxels above some threshold
+print(m[m >= 0.1].size)
+
+# We can also change the data; here we do the equivalent of
+# IMP.em.get_threshold_map() in place, i.e. clear any voxel that is
+# below the threshold
+m[m < 0.1] = 0.0
+print(m.min(), m.mean(), m.max())

From 5eb43d61cf9c46ca73c6910715ee144bfeb5736f Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 10 Sep 2021 13:50:21 -0700
Subject: [PATCH 196/250] Pass moved-particle info to Containers/Modifiers

Add *_moved() methods to Container and
Modifier which allow passing information on which particles
have moved since the last scoring function evaluation.
Like Restraint::evaluate_moved(), these can be used by
subclasses to speed up evaluation (e.g. by using cached
scores for unmoved particles).
---
 .../include/internal/ListLikeContainer.h      | 30 +++++++++++++++++++
 .../container/ClassnameContainerSet.h         | 12 +++++++-
 .../container/DynamicListClassnameContainer.h |  3 ++
 .../container/ListClassnameContainer.h        |  3 ++
 .../container/classnames.cpp                  |  9 ++++++
 .../kernel/ClassnameContainer.h               | 15 +++++++++-
 .../kernel/ClassnameModifier.h                | 14 +++++++++
 .../kernel/classname_macros.h                 | 11 ++++++-
 .../container_templates/kernel/classnames.cpp | 15 ++++++++++
 9 files changed, 109 insertions(+), 3 deletions(-)

diff --git a/modules/kernel/include/internal/ListLikeContainer.h b/modules/kernel/include/internal/ListLikeContainer.h
index 852be99f37..66aff89f71 100644
--- a/modules/kernel/include/internal/ListLikeContainer.h
+++ b/modules/kernel/include/internal/ListLikeContainer.h
@@ -62,12 +62,42 @@ class ListLikeContainer : public Base {
     }
   }
 
+  template <class F>
+  void apply_generic_moved(const F *f, const ParticleIndexes &moved_pis,
+                           const ParticleIndexes &reset_pis) const {
+    Base::validate_readable();
+    if (get_number_of_threads() > 1) {
+      unsigned int tasks = 2 * get_number_of_threads();
+      unsigned int chunk_size =
+          std::max<unsigned int>(1U, data_.size() / tasks) + 1;
+      Model *m = Base::get_model();
+      for (unsigned int i = 0; i < tasks; ++i) {
+        unsigned int lb = i * chunk_size;
+        unsigned int ub =
+            std::min<unsigned int>(data_.size(), (i + 1) * chunk_size);
+        IMP_TASK((lb, ub, m, f, moved_pis, reset_pis),
+                 f->apply_indexes_moved(m, data_, lb, ub, moved_pis, reset_pis),
+                 "apply");
+      }
+      IMP_OMP_PRAGMA(taskwait)
+    } else {
+      f->apply_indexes_moved(Base::get_model(), data_, 0, data_.size(),
+                             moved_pis, reset_pis);
+    }
+  }
+
   //! apply sm->apply_indexes to data. Use parallel mode using IMP_TASK
   //! if get_number_of_threads()>=2
   void do_apply(const typename Base::Modifier *sm) const IMP_OVERRIDE {
     apply_generic(sm);
   }
 
+  void do_apply_moved(const typename Base::Modifier *sm,
+                      const ParticleIndexes &moved_pis,
+                      const ParticleIndexes &reset_pis) const IMP_OVERRIDE {
+    apply_generic_moved(sm, moved_pis, reset_pis);
+  }
+
   //! returns a copy of list indexes of appropriate type
   typename Base::ContainedIndexTypes get_indexes() const IMP_OVERRIDE {
     return data_;
diff --git a/tools/build/container_templates/container/ClassnameContainerSet.h b/tools/build/container_templates/container/ClassnameContainerSet.h
index f6e5a3f55d..e7ce3b08eb 100644
--- a/tools/build/container_templates/container/ClassnameContainerSet.h
+++ b/tools/build/container_templates/container/ClassnameContainerSet.h
@@ -30,7 +30,7 @@ class IMPCONTAINEREXPORT ClassnameContainerSet : public ClassnameContainer {
   virtual std::size_t do_get_contents_hash() const IMP_OVERRIDE;
 
  public:
-  //! Construct and empty set
+  //! Construct an empty set
   ClassnameContainerSet(Model *m,
                         std::string name = "ClassnameContainerSet %1%");
 
@@ -40,11 +40,21 @@ class IMPCONTAINEREXPORT ClassnameContainerSet : public ClassnameContainer {
   /** \brief apply modifier sm to all classname containers */
   IMP_IMPLEMENT(void do_apply(const ClassnameModifier *sm) const IMP_OVERRIDE);
 
+  IMP_IMPLEMENT(void do_apply_moved(const ClassnameModifier *sm,
+                          const ParticleIndexes &moved_pis,
+                          const ParticleIndexes &reset_pis) const IMP_OVERRIDE);
+
   template <class M>
   void apply_generic(const M *m) const {
     apply(m);
   }
 
+  template <class M>
+  void apply_generic_moved(const M *m, const ParticleIndexes &moved_pis,
+                           const ParticleIndexes &reset_pis) const {
+    apply_moved(m, moved_pis, reset_pis);
+  }
+
   ParticleIndexes get_all_possible_indexes() const IMP_OVERRIDE;
   IMP_OBJECT_METHODS(ClassnameContainerSet);
 
diff --git a/tools/build/container_templates/container/DynamicListClassnameContainer.h b/tools/build/container_templates/container/DynamicListClassnameContainer.h
index d54a7f6f5b..9306ef4528 100644
--- a/tools/build/container_templates/container/DynamicListClassnameContainer.h
+++ b/tools/build/container_templates/container/DynamicListClassnameContainer.h
@@ -66,6 +66,9 @@ class IMPCONTAINEREXPORT DynamicListClassnameContainer :
   PLURALINDEXTYPE get_range_indexes() const;
   ModelObjectsTemp do_get_inputs() const;
   void do_apply(const ClassnameModifier *sm) const;
+  void do_apply_moved(const ClassnameModifier *sm,
+                      const ParticleIndexes &moved_pis,
+                      const ParticleIndexes &reset_pis) const;
   ParticleIndexes get_all_possible_indexes() const;
 #endif
   IMP_OBJECT_METHODS(DynamicListClassnameContainer);
diff --git a/tools/build/container_templates/container/ListClassnameContainer.h b/tools/build/container_templates/container/ListClassnameContainer.h
index c896782c99..43e8766e27 100644
--- a/tools/build/container_templates/container/ListClassnameContainer.h
+++ b/tools/build/container_templates/container/ListClassnameContainer.h
@@ -64,6 +64,9 @@ class IMPCONTAINEREXPORT ListClassnameContainer :
   PLURALINDEXTYPE get_range_indexes() const;
   ModelObjectsTemp do_get_inputs() const;
   void do_apply(const ClassnameModifier *sm) const;
+  void do_apply_moved(const ClassnameModifier *sm,
+                      const ParticleIndexes &moved_pis,
+                      const ParticleIndexes &reset_pis) const;
   ParticleIndexes get_all_possible_indexes() const;
 
  private:
diff --git a/tools/build/container_templates/container/classnames.cpp b/tools/build/container_templates/container/classnames.cpp
index ceb6a9af1e..f82ce66411 100644
--- a/tools/build/container_templates/container/classnames.cpp
+++ b/tools/build/container_templates/container/classnames.cpp
@@ -120,6 +120,15 @@ void ClassnameContainerSet::do_apply(const ClassnameModifier *sm) const {
   }
 }
 
+void ClassnameContainerSet::do_apply_moved(
+             const ClassnameModifier *sm,
+             const ParticleIndexes &moved_pis,
+             const ParticleIndexes &reset_pis) const {
+  IMP_FOREACH(ClassnameContainer * c, get_classname_containers()) {
+    c->apply_moved(sm, moved_pis, reset_pis);
+  }
+}
+
 ParticleIndexes ClassnameContainerSet::get_all_possible_indexes() const {
   ParticleIndexes ret;
   IMP_FOREACH(ClassnameContainer * c, get_classname_containers()) {
diff --git a/tools/build/container_templates/kernel/ClassnameContainer.h b/tools/build/container_templates/kernel/ClassnameContainer.h
index a36d9b831a..5a124cec08 100644
--- a/tools/build/container_templates/kernel/ClassnameContainer.h
+++ b/tools/build/container_templates/kernel/ClassnameContainer.h
@@ -42,9 +42,19 @@ class IMPKERNELEXPORT ClassnameContainer : public Container {
   //! Just use apply() in the base class
   void apply_generic(const ClassnameModifier *m) const;
 
-  //! Apply a SingletonModifier to the contents
+  //! Just use apply_moved() in the base class
+  void apply_generic_moved(const ClassnameModifier *m,
+                           const ParticleIndexes &moved_pis,
+                           const ParticleIndexes &reset_pis) const;
+
+  //! Apply a ClassnameModifier to the contents
   void apply(const ClassnameModifier *sm) const;
 
+  //! Apply a ClassnameModifier to the contents
+  void apply_moved(const ClassnameModifier *sm,
+                   const ParticleIndexes &moved_pis,
+                   const ParticleIndexes &reset_pis) const;
+
   /** Get all the indexes that might possibly be contained in the
       container, useful with dynamic containers. For example,
       with a container::ClosePairContainer, this is the list
@@ -111,6 +121,9 @@ class IMPKERNELEXPORT ClassnameContainer : public Container {
                      std::string name = "ClassnameContainer %1%");
 
   virtual void do_apply(const ClassnameModifier *sm) const = 0;
+  virtual void do_apply_moved(const ClassnameModifier *sm,
+                              const ParticleIndexes &moved_pis,
+                              const ParticleIndexes &reset_pis) const = 0;
   virtual bool do_get_provides_access() const { return false; }
 
 #if !defined(SWIG) && !defined(IMP_DOXYGEN)
diff --git a/tools/build/container_templates/kernel/ClassnameModifier.h b/tools/build/container_templates/kernel/ClassnameModifier.h
index 8444f2bced..98c716dbac 100644
--- a/tools/build/container_templates/kernel/ClassnameModifier.h
+++ b/tools/build/container_templates/kernel/ClassnameModifier.h
@@ -46,6 +46,20 @@ class IMPKERNELEXPORT ClassnameModifier : public ParticleInputs,
       apply_index(m, o[i]);
     }
   }
+
+  /** Apply the function to a collection of PLURALVARIABLETYPE */
+  /** Information on particles that moved since the last scoring function
+      evaluation is also passed, which may be used to accelerate the
+      computation. */
+  virtual void apply_indexes_moved(
+              Model *m, const PLURALINDEXTYPE &o,
+              unsigned int lower_bound, unsigned int upper_bound,
+              const ParticleIndexes &moved_pis,
+              const ParticleIndexes &reset_pis) const {
+    IMP_UNUSED(moved_pis);
+    IMP_UNUSED(reset_pis);
+    apply_indexes(m, o, lower_bound, upper_bound);
+  }
 };
 
 IMPKERNEL_END_NAMESPACE
diff --git a/tools/build/container_templates/kernel/classname_macros.h b/tools/build/container_templates/kernel/classname_macros.h
index 7ff885dcf0..3192910cc5 100644
--- a/tools/build/container_templates/kernel/classname_macros.h
+++ b/tools/build/container_templates/kernel/classname_macros.h
@@ -106,15 +106,24 @@
 #define IMP_IMPLEMENT_CLASSNAME_CONTAINER(Name)                          \
   IMP_IMPLEMENT_INLINE(void do_apply(const ClassnameModifier *sm) const, \
   { apply_generic(sm); });                                               \
+  IMP_IMPLEMENT_INLINE(void do_apply_moved(const ClassnameModifier *sm,  \
+                             const ParticleIndexes &moved_pis,           \
+                             const ParticleIndexes &reset_pis) const,    \
+  { apply_generic_moved(sm, moved_pis, reset_pis); });                   \
   virtual ParticleIndexes get_all_possible_indexes() const IMP_OVERRIDE; \
   IMP_OBJECT_METHODS(Name)
 #endif
 
 /** Use this to fill in container methods
     IMP::ClassnameContainer::do_apply()
+    IMP::ClassnameContainer::do_apply_moved()
 */
 #define IMP_CLASSNAME_CONTAINER_METHODS(Name) \
   void do_apply(const ClassnameModifier *sm) const IMP_OVERRIDE { \
-    apply_generic(sm); }
+    apply_generic(sm); }                                          \
+  void do_apply_moved(const ClassnameModifier *sm,                \
+                      const ParticleIndexes &moved_pis,           \
+                      const ParticleIndexes &reset_pis) const IMP_OVERRIDE { \
+    apply_generic_moved(sm, moved_pis, reset_pis); }
 
 #endif /* IMPKERNEL_CLASSNAME_MACROS_H */
diff --git a/tools/build/container_templates/kernel/classnames.cpp b/tools/build/container_templates/kernel/classnames.cpp
index 89e7cf0907..d024807f14 100644
--- a/tools/build/container_templates/kernel/classnames.cpp
+++ b/tools/build/container_templates/kernel/classnames.cpp
@@ -42,11 +42,26 @@ void ClassnameContainer::apply_generic(const ClassnameModifier *m) const {
   apply(m);
 }
 
+void ClassnameContainer::apply_generic_moved(
+          const ClassnameModifier *m,
+          const ParticleIndexes &moved_pis,
+          const ParticleIndexes &reset_pis) const {
+  apply_moved(m, moved_pis, reset_pis);
+}
+
 void ClassnameContainer::apply(const ClassnameModifier *sm) const {
   validate_readable();
   do_apply(sm);
 }
 
+void ClassnameContainer::apply_moved(
+               const ClassnameModifier *sm,
+               const ParticleIndexes &moved_pis,
+               const ParticleIndexes &reset_pis) const {
+  validate_readable();
+  do_apply_moved(sm, moved_pis, reset_pis);
+}
+
 ClassnameContainerAdaptor::ClassnameContainerAdaptor(ClassnameContainer *c)
     : P(c) {}
 

From 0ebf82ec413ffffd1f66ae7cd65ca40c2083845b Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 10 Sep 2021 13:46:11 -0700
Subject: [PATCH 197/250] Preserve moved information in ContainerRestraint

Override Restraint::evaluate_moved() for ContainerRestraint
(base for container::PairsRestraint and similar) to
pass along information on which particles moved since the
last scoring function evaluation. Currently it is unused,
but ultimately we can use this information to speed up evaluation.
---
 .../include/internal/AccumulatorScoreModifier.h | 14 ++++++++++++++
 .../include/internal/ContainerRestraint.h       | 17 +++++++++++++++++
 2 files changed, 31 insertions(+)

diff --git a/modules/kernel/include/internal/AccumulatorScoreModifier.h b/modules/kernel/include/internal/AccumulatorScoreModifier.h
index 019523d97e..adb926356f 100644
--- a/modules/kernel/include/internal/AccumulatorScoreModifier.h
+++ b/modules/kernel/include/internal/AccumulatorScoreModifier.h
@@ -69,6 +69,20 @@ class AccumulatorScoreModifier : public Score::Modifier {
     sa_.add_score(score);
   }
 
+  virtual void apply_indexes_moved(
+      Model *m, const Vector<typename Score::IndexArgument> &a,
+      unsigned int lower_bound, unsigned int upper_bound,
+      const ParticleIndexes &moved_pis,
+      const ParticleIndexes &reset_pis) const IMP_OVERRIDE {
+    IMP_UNUSED(moved_pis);
+    IMP_UNUSED(reset_pis);
+    double score = ss_->evaluate_indexes(m, a, sa_.get_derivative_accumulator(),
+                                         lower_bound, upper_bound);
+    IMP_OMP_PRAGMA(atomic)
+    score_ += score;
+    sa_.add_score(score);
+  }
+
   virtual ModelObjectsTemp do_get_inputs(Model *m,
                                          const ParticleIndexes &pis) const
       IMP_OVERRIDE {
diff --git a/modules/kernel/include/internal/ContainerRestraint.h b/modules/kernel/include/internal/ContainerRestraint.h
index 08c7acb9fd..1de751048e 100644
--- a/modules/kernel/include/internal/ContainerRestraint.h
+++ b/modules/kernel/include/internal/ContainerRestraint.h
@@ -33,6 +33,11 @@ class ContainerRestraint : public Restraint {
  public:
   void do_add_score_and_derivatives(IMP::ScoreAccumulator sa) const
       IMP_OVERRIDE;
+
+  void do_add_score_and_derivatives_moved(IMP::ScoreAccumulator sa,
+                const ParticleIndexes &moved_pis,
+                const ParticleIndexes &reset_pis) const IMP_OVERRIDE;
+
   ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE;
   IMP_OBJECT_METHODS(ContainerRestraint);
   ;
@@ -86,6 +91,18 @@ void ContainerRestraint<Score, C>::do_add_score_and_derivatives(
   pc_->apply_generic(acc_.get());
 }
 
+template <class Score, class C>
+void ContainerRestraint<Score, C>::do_add_score_and_derivatives_moved(
+    ScoreAccumulator accum,
+    const ParticleIndexes &moved_pis,
+    const ParticleIndexes &reset_pis) const {
+  IMP_OBJECT_LOG;
+  IMP_CHECK_OBJECT(acc_);
+  IMP_CHECK_OBJECT(pc_);
+  acc_->set_accumulator(accum);
+  pc_->apply_generic_moved(acc_.get(), moved_pis, reset_pis);
+}
+
 template <class Score, class C>
 ModelObjectsTemp ContainerRestraint<Score, C>::do_get_inputs() const {
   IMP_OBJECT_LOG;

From 91bbafda8a07c695beb0ee801e7763931eae05b1 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Sat, 11 Sep 2021 09:05:25 -0700
Subject: [PATCH 198/250] moved_pis should be shared, not private

---
 modules/kernel/include/internal/ListLikeContainer.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/kernel/include/internal/ListLikeContainer.h b/modules/kernel/include/internal/ListLikeContainer.h
index 66aff89f71..80d71f0edd 100644
--- a/modules/kernel/include/internal/ListLikeContainer.h
+++ b/modules/kernel/include/internal/ListLikeContainer.h
@@ -75,7 +75,7 @@ class ListLikeContainer : public Base {
         unsigned int lb = i * chunk_size;
         unsigned int ub =
             std::min<unsigned int>(data_.size(), (i + 1) * chunk_size);
-        IMP_TASK((lb, ub, m, f, moved_pis, reset_pis),
+        IMP_TASK_SHARED((lb, ub, m, f), (moved_pis, reset_pis),
                  f->apply_indexes_moved(m, data_, lb, ub, moved_pis, reset_pis),
                  "apply");
       }

From f821fc6b964fa346acdf29bcfe5a65be192d5c82 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Sat, 11 Sep 2021 09:31:51 -0700
Subject: [PATCH 199/250] Provide default implementation for do_apply_moved()

If a subclass of PairContainer (or similar) does not
explicitly override do_apply_moved(), just have it
ignore the moved-particle information and call the
regular do_apply().
---
 tools/build/container_templates/kernel/ClassnameContainer.h | 6 +++++-
 1 file changed, 5 insertions(+), 1 deletion(-)

diff --git a/tools/build/container_templates/kernel/ClassnameContainer.h b/tools/build/container_templates/kernel/ClassnameContainer.h
index 5a124cec08..f04fc3a4a5 100644
--- a/tools/build/container_templates/kernel/ClassnameContainer.h
+++ b/tools/build/container_templates/kernel/ClassnameContainer.h
@@ -123,7 +123,11 @@ class IMPKERNELEXPORT ClassnameContainer : public Container {
   virtual void do_apply(const ClassnameModifier *sm) const = 0;
   virtual void do_apply_moved(const ClassnameModifier *sm,
                               const ParticleIndexes &moved_pis,
-                              const ParticleIndexes &reset_pis) const = 0;
+                              const ParticleIndexes &reset_pis) const {
+    IMP_UNUSED(moved_pis);
+    IMP_UNUSED(reset_pis);
+    do_apply(sm);
+  }
   virtual bool do_get_provides_access() const { return false; }
 
 #if !defined(SWIG) && !defined(IMP_DOXYGEN)

From e5b496e6787886c8df058d74b8d50ee0b967cd2b Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 13 Sep 2021 12:30:20 -0700
Subject: [PATCH 200/250] Fix broken link to OpenCV docs

---
 doc/manual/install_windows.md | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/doc/manual/install_windows.md b/doc/manual/install_windows.md
index d71e389a0b..c508ff52f5 100644
--- a/doc/manual/install_windows.md
+++ b/doc/manual/install_windows.md
@@ -96,7 +96,7 @@ we employed is as follows:
     [libTAU](https://integrativemodeling.org/libTAU.html)
      - Copy `libTAU.lib` to `TAU.lib` to help cmake find it.
   - (Optional) Get the [OpenCV source code](http://opencv.org/)
-    and build it by [following these instructions](http://docs.opencv.org/doc/tutorials/introduction/windows_install/windows_install.html)
+    and build it by [following these instructions](https://docs.opencv.org/3.4.15/d3/d52/tutorial_windows_install.html#tutorial_windows_install_build)
      - Copy each `opencv_*.lib` to a similar file without the version extension
        (e.g. copy `opencv_ml244.lib` to `opencv_ml.lib`) to help cmake find it
   - Set PATH, INCLUDE, and/or LIB environment variables so that the compiler

From 2d52e2311b26b7b7ae563fba177e8671f9e7f27e Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 13 Sep 2021 15:27:11 -0700
Subject: [PATCH 201/250] Add methods to get per-index discontinuous scores

Add PairScore::evaluate_indexes() (and similar)
overloads to allow
a) evaluating the total score for a potentially
   discontinuous set of indices (not just lower-upper bound).
b) returning the per-index scores in a vector, in
   addition to the total score.
---
 .../kernel/ClassnameScore.h                   | 17 ++++++++++++
 .../kernel/classname_macros.h                 | 27 +++++++++++++++++++
 .../container_templates/kernel/classnames.cpp | 27 +++++++++++++++++++
 3 files changed, 71 insertions(+)

diff --git a/tools/build/container_templates/kernel/ClassnameScore.h b/tools/build/container_templates/kernel/ClassnameScore.h
index d83a52a69e..7b2fc66257 100644
--- a/tools/build/container_templates/kernel/ClassnameScore.h
+++ b/tools/build/container_templates/kernel/ClassnameScore.h
@@ -72,6 +72,23 @@ class IMPKERNELEXPORT ClassnameScore : public ParticleInputs,
                                   unsigned int lower_bound,
                                   unsigned int upper_bound) const;
 
+  //! Compute the score and the derivative if needed over a set.
+  /** Like regular evaluate_indexes(), but the score for each o[x] is also
+      returned as scores[x]. */
+  virtual double evaluate_indexes(Model *m, const PLURALINDEXTYPE &o,
+                                  DerivativeAccumulator *da,
+                                  unsigned int lower_bound,
+                                  unsigned int upper_bound,
+                                  std::vector<double> &scores) const;
+
+  //! Compute the score and the derivative if needed over a set.
+  /** The score for each o[indexes[x]] is returned in scores[indexes[x]]
+      and the total score is also returned. */
+  virtual double evaluate_indexes(Model *m, const PLURALINDEXTYPE &o,
+                                  DerivativeAccumulator *da,
+                                  const std::vector<unsigned> &indexes,
+                                  std::vector<double> &scores) const;
+
   //! Compute the score and the derivative if needed, only if "good".
   /** This functions similarly to evaluate_index(),
       but may terminate the computation early if the score is higher than max.
diff --git a/tools/build/container_templates/kernel/classname_macros.h b/tools/build/container_templates/kernel/classname_macros.h
index 3192910cc5..6363a40b84 100644
--- a/tools/build/container_templates/kernel/classname_macros.h
+++ b/tools/build/container_templates/kernel/classname_macros.h
@@ -29,6 +29,33 @@
     }                                                                          \
     return ret;                                                                \
   }                                                                            \
+  double evaluate_indexes(Model *m, const PLURALINDEXTYPE &p,                  \
+                          DerivativeAccumulator *da, unsigned int lower_bound, \
+                          unsigned int upper_bound,                            \
+                          std::vector<double> &scores)                         \
+                          const IMP_OVERRIDE IMP_FINAL {                       \
+    double ret = 0;                                                            \
+    for (unsigned int i = lower_bound; i < upper_bound; ++i) {                 \
+      double s = evaluate_index(m, p[i], da);                                  \
+      scores[i] = s;                                                           \
+      ret += s;                                                                \
+    }                                                                          \
+    return ret;                                                                \
+  }                                                                            \
+  double evaluate_indexes(Model *m, const PLURALINDEXTYPE &p,                  \
+                          DerivativeAccumulator *da,                           \
+                          const std::vector<unsigned> &indexes,                \
+                          std::vector<double> &scores)                         \
+                          const IMP_OVERRIDE IMP_FINAL {                       \
+    double ret = 0;                                                            \
+    for (std::vector<unsigned>::const_iterator it = indexes.begin();           \
+         it != indexes.end(); ++it) {                                          \
+      double s = evaluate_index(m, p[*it], da);                                \
+      scores[*it] = s;                                                         \
+      ret += s;                                                                \
+    }                                                                          \
+    return ret;                                                                \
+  }                                                                            \
   double evaluate_if_good_indexes(                                             \
       Model *m, const PLURALINDEXTYPE &p, DerivativeAccumulator *da,           \
       double max, unsigned int lower_bound,                                    \
diff --git a/tools/build/container_templates/kernel/classnames.cpp b/tools/build/container_templates/kernel/classnames.cpp
index d024807f14..44fc035899 100644
--- a/tools/build/container_templates/kernel/classnames.cpp
+++ b/tools/build/container_templates/kernel/classnames.cpp
@@ -124,6 +124,33 @@ double ClassnameScore::evaluate_indexes(Model *m,
   return ret;
 }
 
+double ClassnameScore::evaluate_indexes(Model *m, const PLURALINDEXTYPE &p,
+                          DerivativeAccumulator *da, unsigned int lower_bound,
+                          unsigned int upper_bound,
+                          std::vector<double> &scores) const {
+  double ret = 0;
+  for (unsigned int i = lower_bound; i < upper_bound; ++i) {
+    double s = evaluate_index(m, p[i], da);
+    scores[i] = s;
+    ret += s;
+  }
+  return ret;
+}
+
+double ClassnameScore::evaluate_indexes(Model *m, const PLURALINDEXTYPE &p,
+                          DerivativeAccumulator *da,
+                          const std::vector<unsigned> &indexes,
+                          std::vector<double> &scores) const {
+  double ret = 0;
+  for (std::vector<unsigned>::const_iterator it = indexes.begin();
+       it != indexes.end(); ++it) {
+    double s = evaluate_index(m, p[*it], da);
+    scores[*it] = s;
+    ret += s;
+  }
+  return ret;
+}
+
 double ClassnameScore::evaluate_if_good_index(Model *m,
                                               PASSINDEXTYPE vt,
                                               DerivativeAccumulator *da,

From 1ab66ab2bbc866962a34875a7387a25c74483dec Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 13 Sep 2021 15:57:15 -0700
Subject: [PATCH 202/250] Rename new methods to evaluate_indexes_scores()

Don't overload evaluate_indexes(), but instead give
the new methods new names. Otherwise, subclasses that
override just some of the overloads of evaluate_indexes()
(e.g. some of the PairScore subclasses in IMP.npctransport)
will hide these methods by default.

Additionally, prior to setting the new score for an index,
record the last score.
---
 .../kernel/ClassnameScore.h                   | 26 +++++++++-------
 .../kernel/classname_macros.h                 | 30 +++++++++++--------
 .../container_templates/kernel/classnames.cpp | 26 +++++++++-------
 3 files changed, 49 insertions(+), 33 deletions(-)

diff --git a/tools/build/container_templates/kernel/ClassnameScore.h b/tools/build/container_templates/kernel/ClassnameScore.h
index 7b2fc66257..dd940c6133 100644
--- a/tools/build/container_templates/kernel/ClassnameScore.h
+++ b/tools/build/container_templates/kernel/ClassnameScore.h
@@ -74,20 +74,24 @@ class IMPKERNELEXPORT ClassnameScore : public ParticleInputs,
 
   //! Compute the score and the derivative if needed over a set.
   /** Like regular evaluate_indexes(), but the score for each o[x] is also
-      returned as scores[x]. */
-  virtual double evaluate_indexes(Model *m, const PLURALINDEXTYPE &o,
-                                  DerivativeAccumulator *da,
-                                  unsigned int lower_bound,
-                                  unsigned int upper_bound,
-                                  std::vector<double> &scores) const;
+      returned as score[x]. */
+  virtual double evaluate_indexes_scores(
+                        Model *m, const PLURALINDEXTYPE &o,
+                        DerivativeAccumulator *da,
+                        unsigned int lower_bound,
+                        unsigned int upper_bound,
+                        std::vector<double> &score,
+                        std::vector<double> &last_score) const;
 
   //! Compute the score and the derivative if needed over a set.
-  /** The score for each o[indexes[x]] is returned in scores[indexes[x]]
+  /** The score for each o[indexes[x]] is returned in score[indexes[x]]
       and the total score is also returned. */
-  virtual double evaluate_indexes(Model *m, const PLURALINDEXTYPE &o,
-                                  DerivativeAccumulator *da,
-                                  const std::vector<unsigned> &indexes,
-                                  std::vector<double> &scores) const;
+  virtual double evaluate_indexes_scores(
+                        Model *m, const PLURALINDEXTYPE &o,
+                        DerivativeAccumulator *da,
+                        const std::vector<unsigned> &indexes,
+                        std::vector<double> &score,
+                        std::vector<double> &last_score) const;
 
   //! Compute the score and the derivative if needed, only if "good".
   /** This functions similarly to evaluate_index(),
diff --git a/tools/build/container_templates/kernel/classname_macros.h b/tools/build/container_templates/kernel/classname_macros.h
index 6363a40b84..0b0fe0db7d 100644
--- a/tools/build/container_templates/kernel/classname_macros.h
+++ b/tools/build/container_templates/kernel/classname_macros.h
@@ -29,29 +29,35 @@
     }                                                                          \
     return ret;                                                                \
   }                                                                            \
-  double evaluate_indexes(Model *m, const PLURALINDEXTYPE &p,                  \
-                          DerivativeAccumulator *da, unsigned int lower_bound, \
-                          unsigned int upper_bound,                            \
-                          std::vector<double> &scores)                         \
-                          const IMP_OVERRIDE IMP_FINAL {                       \
+  double evaluate_indexes_scores(                                              \
+                  Model *m, const PLURALINDEXTYPE &p,                          \
+                  DerivativeAccumulator *da, unsigned int lower_bound,         \
+                  unsigned int upper_bound,                                    \
+                  std::vector<double> &score,                                  \
+                  std::vector<double> &last_score)                             \
+                  const IMP_OVERRIDE IMP_FINAL {                               \
     double ret = 0;                                                            \
     for (unsigned int i = lower_bound; i < upper_bound; ++i) {                 \
       double s = evaluate_index(m, p[i], da);                                  \
-      scores[i] = s;                                                           \
+      last_score[i] = score[i];                                                \
+      score[i] = s;                                                            \
       ret += s;                                                                \
     }                                                                          \
     return ret;                                                                \
   }                                                                            \
-  double evaluate_indexes(Model *m, const PLURALINDEXTYPE &p,                  \
-                          DerivativeAccumulator *da,                           \
-                          const std::vector<unsigned> &indexes,                \
-                          std::vector<double> &scores)                         \
-                          const IMP_OVERRIDE IMP_FINAL {                       \
+  double evaluate_indexes_scores(                                              \
+                  Model *m, const PLURALINDEXTYPE &p,                          \
+                  DerivativeAccumulator *da,                                   \
+                  const std::vector<unsigned> &indexes,                        \
+                  std::vector<double> &score,                                  \
+                  std::vector<double> &last_score)                             \
+                  const IMP_OVERRIDE IMP_FINAL {                               \
     double ret = 0;                                                            \
     for (std::vector<unsigned>::const_iterator it = indexes.begin();           \
          it != indexes.end(); ++it) {                                          \
       double s = evaluate_index(m, p[*it], da);                                \
-      scores[*it] = s;                                                         \
+      last_score[*it] = score[*it];                                            \
+      score[*it] = s;                                                          \
       ret += s;                                                                \
     }                                                                          \
     return ret;                                                                \
diff --git a/tools/build/container_templates/kernel/classnames.cpp b/tools/build/container_templates/kernel/classnames.cpp
index 44fc035899..ca0c609251 100644
--- a/tools/build/container_templates/kernel/classnames.cpp
+++ b/tools/build/container_templates/kernel/classnames.cpp
@@ -124,28 +124,34 @@ double ClassnameScore::evaluate_indexes(Model *m,
   return ret;
 }
 
-double ClassnameScore::evaluate_indexes(Model *m, const PLURALINDEXTYPE &p,
-                          DerivativeAccumulator *da, unsigned int lower_bound,
-                          unsigned int upper_bound,
-                          std::vector<double> &scores) const {
+double ClassnameScore::evaluate_indexes_scores(
+                Model *m, const PLURALINDEXTYPE &p,
+                DerivativeAccumulator *da, unsigned int lower_bound,
+                unsigned int upper_bound,
+                std::vector<double> &score,
+                std::vector<double> &last_score) const {
   double ret = 0;
   for (unsigned int i = lower_bound; i < upper_bound; ++i) {
     double s = evaluate_index(m, p[i], da);
-    scores[i] = s;
+    last_score[i] = score[i];
+    score[i] = s;
     ret += s;
   }
   return ret;
 }
 
-double ClassnameScore::evaluate_indexes(Model *m, const PLURALINDEXTYPE &p,
-                          DerivativeAccumulator *da,
-                          const std::vector<unsigned> &indexes,
-                          std::vector<double> &scores) const {
+double ClassnameScore::evaluate_indexes_scores(
+                Model *m, const PLURALINDEXTYPE &p,
+                DerivativeAccumulator *da,
+                const std::vector<unsigned> &indexes,
+                std::vector<double> &score,
+                std::vector<double> &last_score) const {
   double ret = 0;
   for (std::vector<unsigned>::const_iterator it = indexes.begin();
        it != indexes.end(); ++it) {
     double s = evaluate_index(m, p[*it], da);
-    scores[*it] = s;
+    last_score[*it] = score[*it];
+    score[*it] = s;
     ret += s;
   }
   return ret;

From 8e2865368cc04d64a3ff9fce637249f019c17e10 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 13 Sep 2021 16:45:14 -0700
Subject: [PATCH 203/250] Faster implementations of evaluate_indexes_scores()

Check the cache only once per call to
evaluate_indexes_scores(), not on every pair.
---
 .../include/DistancePairScoreWithCache.h      | 47 +++++++++++++++++++
 1 file changed, 47 insertions(+)

diff --git a/modules/score_functor/include/DistancePairScoreWithCache.h b/modules/score_functor/include/DistancePairScoreWithCache.h
index c0d48cd584..aa0582ee5e 100644
--- a/modules/score_functor/include/DistancePairScoreWithCache.h
+++ b/modules/score_functor/include/DistancePairScoreWithCache.h
@@ -57,6 +57,17 @@ class DistancePairScoreWithCache : public PairScore {
        DerivativeAccumulator *da, unsigned int lower_bound,
        unsigned int upper_bound) const IMP_OVERRIDE;
 
+  virtual double evaluate_indexes_scores(
+       Model *m, const ParticleIndexPairs &p, DerivativeAccumulator *da,
+       unsigned int lower_bound, unsigned int upper_bound,
+       std::vector<double> &score,
+       std::vector<double> &last_score) const IMP_OVERRIDE;
+
+  virtual double evaluate_indexes_scores(
+       Model *m, const ParticleIndexPairs &p, DerivativeAccumulator *da,
+       const std::vector<unsigned> &indexes, std::vector<double> &score,
+       std::vector<double> &last_score) const IMP_OVERRIDE;
+
   IMP_OBJECT_METHODS(DistancePairScoreWithCache);
 };
 
@@ -74,6 +85,42 @@ inline double DistancePairScoreWithCache<DistanceScore>::evaluate_indexes(
   return ret;
 }
 
+template <class DistanceScore>
+inline double
+DistancePairScoreWithCache<DistanceScore>::evaluate_indexes_scores(
+       Model *m, const ParticleIndexPairs &p, DerivativeAccumulator *da,
+       unsigned int lower_bound, unsigned int upper_bound,
+       std::vector<double> &score,
+       std::vector<double> &last_score) const {
+  double ret = 0;
+  ds_.check_cache_valid(m);
+  for (unsigned int i = lower_bound; i < upper_bound; ++i) {
+    double s = evaluate_index_with_cache(m, p[i], da);
+    last_score[i] = score[i];
+    score[i] = s;
+    ret += s;
+  }
+  return ret;
+}
+
+template <class DistanceScore>
+inline double
+DistancePairScoreWithCache<DistanceScore>::evaluate_indexes_scores(
+       Model *m, const ParticleIndexPairs &p, DerivativeAccumulator *da,
+       const std::vector<unsigned> &indexes, std::vector<double> &score,
+       std::vector<double> &last_score) const {
+  double ret = 0;
+  ds_.check_cache_valid(m);
+  for (std::vector<unsigned>::const_iterator it = indexes.begin();
+       it != indexes.end(); ++it) {
+    double s = evaluate_index_with_cache(m, p[*it], da);
+    last_score[*it] = score[*it];
+    score[*it] = s;
+    ret += s;
+  }
+  return ret;
+}
+
 template <class DistanceScore>
 inline double DistancePairScoreWithCache<DistanceScore>::evaluate_index(
     Model *m, const ParticleIndexPair &p,

From 97bab1d8fd0860741d01e82937ff9e9bf65d2991 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 13 Sep 2021 18:45:50 -0700
Subject: [PATCH 204/250] Add get_dependent_particles() utility function

Add a function that, given a single input particle,
uses the model dependency graph to return a list of
all particles that move when the input particle does.
In many cases this will just be the input particle,
but for example a rigid body particle as input will
give all body members in the output.
---
 modules/kernel/include/dependency_graph.h    |  6 ++++++
 modules/kernel/src/dependency_graph.cpp      |  6 ++++++
 modules/kernel/test/test_dependency_graph.py | 12 ++++++++++++
 3 files changed, 24 insertions(+)

diff --git a/modules/kernel/include/dependency_graph.h b/modules/kernel/include/dependency_graph.h
index 1026688907..0bb45cba4b 100644
--- a/modules/kernel/include/dependency_graph.h
+++ b/modules/kernel/include/dependency_graph.h
@@ -76,6 +76,12 @@ IMPKERNELEXPORT ScoreStatesTemp
 /** \note The list may contain duplicates. */
 IMPKERNELEXPORT ScoreStatesTemp
     get_required_score_states(Model *m, ParticleIndex pi);
+
+//! Return all Particles that depend on this Particle.
+/** \note The list may contain duplicates. */
+IMPKERNELEXPORT ParticlesTemp
+    get_dependent_particles(Model *m, ParticleIndex pi);
+
 #endif
 
 IMPKERNEL_END_NAMESPACE
diff --git a/modules/kernel/src/dependency_graph.cpp b/modules/kernel/src/dependency_graph.cpp
index 67944c245e..a1436e43d3 100644
--- a/modules/kernel/src/dependency_graph.cpp
+++ b/modules/kernel/src/dependency_graph.cpp
@@ -372,4 +372,10 @@ ScoreStatesTemp get_required_score_states(Model *m, ParticleIndex pi) {
   return p->get_required_score_states();
 }
 
+ParticlesTemp get_dependent_particles(Model *m, ParticleIndex pi) {
+  m->set_has_all_dependencies(true);
+  ModelObject *cur = m->get_particle(pi);
+  return do_get_dependent<Particle, ParticlesTemp>(cur);
+}
+
 IMPKERNEL_END_NAMESPACE
diff --git a/modules/kernel/test/test_dependency_graph.py b/modules/kernel/test/test_dependency_graph.py
index 51fe8b1d3a..13c3d1e169 100644
--- a/modules/kernel/test/test_dependency_graph.py
+++ b/modules/kernel/test/test_dependency_graph.py
@@ -41,6 +41,18 @@ def test_loop_detection(self):
         s1 = NullConstraint(m, inputs=[p1], outputs=[p0])
         self.assertRaises(IMP.ModelException, m.update)
 
+    def test_get_dependent_particles(self):
+        """Test get_dependent_particles() function"""
+        log = []
+        m = IMP.Model()
+        p0 = IMP.Particle(m)
+        p1 = IMP.Particle(m)
+        p2 = IMP.Particle(m)
+        s0 = NullConstraint(m, inputs=[p0], outputs=[p1])
+        self.assertEqual(IMP.get_dependent_particles(m, p0), [p0, p1])
+        self.assertEqual(IMP.get_dependent_particles(m, p1), [p1])
+        self.assertEqual(IMP.get_dependent_particles(m, p2), [p2])
+
     def test_dependency_age(self):
         """Test dependency age counter"""
         m = IMP.Model()

From 539b81ac442cdfe740b97dcd6cbb502cf8587f43 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 21 Sep 2021 17:35:01 -0700
Subject: [PATCH 205/250] Add cached method to get dependent particles

Add a Model method to get all particles that
move when a given particle does. This might be
something like all members of a rigid body moving
when the body itself moves. This is done by querying
the dependency graph (e.g. for intervening ScoreStates).
This is expensive so the result is cached.
---
 modules/kernel/include/Model.h                | 14 ++++++++++---
 .../include/internal/moved_particles_cache.h  | 20 +++++++++++++++++++
 modules/kernel/src/Model.cpp                  |  3 ++-
 modules/kernel/src/Model_evaluate.cpp         |  5 +++--
 .../src/internal/moved_particles_cache.cpp    | 15 ++++++++++++++
 5 files changed, 51 insertions(+), 6 deletions(-)

diff --git a/modules/kernel/include/Model.h b/modules/kernel/include/Model.h
index 92d3259a74..3fcac8352e 100644
--- a/modules/kernel/include/Model.h
+++ b/modules/kernel/include/Model.h
@@ -125,8 +125,10 @@ class IMPKERNELEXPORT Model : public Object
   unsigned dependencies_age_;
   // cache of restraints that are affected by each moved particle,
   // used for evaluate_moved() and related functions
-  internal::MovedParticlesRestraintCache moved_particles_cache_;
-  // time when moved_particles_cache_ was last updated, or 0
+  internal::MovedParticlesRestraintCache moved_particles_restraint_cache_;
+  // cache of particles that are affected by each moved particle
+  internal::MovedParticlesParticleCache moved_particles_particle_cache_;
+  // time when moved_particles_*_cache_ were last updated, or 0
   unsigned moved_particles_cache_age_;
 
   // update model age (can never be zero, even if it wraps)
@@ -146,8 +148,14 @@ class IMPKERNELEXPORT Model : public Object
   // the stage of evaluation
   internal::Stage cur_stage_;
 
+  //! Get all Restraints that depend on the given particle
   const std::set<Restraint *> &get_dependent_restraints(ParticleIndex pi) {
-    return moved_particles_cache_.get_dependent_restraints(pi);
+    return moved_particles_restraint_cache_.get_dependent_restraints(pi);
+  }
+
+  //! Get all particles that depend on the given particle
+  const std::set<ParticleIndex> &get_dependent_particles(ParticleIndex pi) {
+    return moved_particles_particle_cache_.get_dependent_particles(pi);
   }
 
   ModelObjectsTemp get_dependency_graph_inputs(const ModelObject *mo) const;
diff --git a/modules/kernel/include/internal/moved_particles_cache.h b/modules/kernel/include/internal/moved_particles_cache.h
index f13234c0fd..944909edd5 100644
--- a/modules/kernel/include/internal/moved_particles_cache.h
+++ b/modules/kernel/include/internal/moved_particles_cache.h
@@ -38,6 +38,26 @@ class MovedParticlesRestraintCache {
   void clear() { cache_.clear(); }
 };
 
+//! Cache Particles that change when a Particle moves
+class MovedParticlesParticleCache {
+  Model *m_;
+  typedef std::map<ParticleIndex, std::set<ParticleIndex> > CacheMap;
+  CacheMap cache_;
+
+public:
+  MovedParticlesParticleCache(Model *m) : m_(m) {}
+
+  //! Get a set of all particles that move when this particle moves
+  /** The result is cached; the cache should be cleared whenever the
+      dependency graph changes.
+    */
+  const std::set<ParticleIndex> &get_dependent_particles(ParticleIndex pi);
+
+  // clear when dependency graph changes, and/or
+  // particles/restraints added/removed
+  void clear() { cache_.clear(); }
+};
+
 //! Cache ScoreStates that change when a Particle moves
 class MovedParticlesScoreStateCache {
   Model *m_;
diff --git a/modules/kernel/src/Model.cpp b/modules/kernel/src/Model.cpp
index d0a29dc53f..341aaa1857 100644
--- a/modules/kernel/src/Model.cpp
+++ b/modules/kernel/src/Model.cpp
@@ -14,7 +14,8 @@ IMPKERNEL_BEGIN_NAMESPACE
 
 //! Constructor
 Model::Model(std::string name)
-          : Object(name), moved_particles_cache_(this) {
+          : Object(name), moved_particles_restraint_cache_(this),
+            moved_particles_particle_cache_(this) {
   cur_stage_ = internal::NOT_EVALUATING;
   set_was_used(true);
   first_call_ = true;
diff --git a/modules/kernel/src/Model_evaluate.cpp b/modules/kernel/src/Model_evaluate.cpp
index 13b05d78d3..98cd03826d 100644
--- a/modules/kernel/src/Model_evaluate.cpp
+++ b/modules/kernel/src/Model_evaluate.cpp
@@ -56,10 +56,11 @@ void Model::before_evaluate(const ScoreStatesTemp &states) {
                   "Can only call Model::before_evaluate() when not evaluating");
   CreateLogContext clc("update_score_states");
   increase_age();
-  // Clear cache if dependencies changed
+  // Clear caches if dependencies changed
   if (moved_particles_cache_age_ != dependencies_age_) {
     moved_particles_cache_age_ = dependencies_age_;
-    moved_particles_cache_.clear();
+    moved_particles_restraint_cache_.clear();
+    moved_particles_particle_cache_.clear();
   }
   internal::SFSetIt<IMP::internal::Stage> reset(
       &cur_stage_, internal::BEFORE_EVALUATING);
diff --git a/modules/kernel/src/internal/moved_particles_cache.cpp b/modules/kernel/src/internal/moved_particles_cache.cpp
index 2f04c2716c..9175ddd7ea 100644
--- a/modules/kernel/src/internal/moved_particles_cache.cpp
+++ b/modules/kernel/src/internal/moved_particles_cache.cpp
@@ -25,6 +25,21 @@ MovedParticlesRestraintCache::get_dependent_restraints(ParticleIndex pi) {
   return it->second;
 }
 
+const std::set<ParticleIndex> &
+MovedParticlesParticleCache::get_dependent_particles(ParticleIndex pi) {
+  CacheMap::const_iterator it = cache_.find(pi);
+  if (it == cache_.end()) {
+    ParticlesTemp ps = IMP::get_dependent_particles(m_, pi);
+    std::set<ParticleIndex> psset;
+    for (ParticlesTemp::const_iterator pi = ps.begin(); pi != ps.end(); ++pi) {
+      psset.insert((*pi)->get_index());
+    }
+    cache_[pi] = psset;
+    it = cache_.find(pi);
+  }
+  return it->second;
+}
+
 const std::set<ScoreState *> &
 MovedParticlesScoreStateCache::get_affected_score_states(ParticleIndex pi) {
   CacheMap::const_iterator it = cache_.find(pi);

From d224ed3dd09368269a7391675db42f8e31a10189 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 22 Sep 2021 10:30:40 -0700
Subject: [PATCH 206/250] Fix typo

---
 tools/build/container_templates/kernel/ClassnameContainer.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tools/build/container_templates/kernel/ClassnameContainer.h b/tools/build/container_templates/kernel/ClassnameContainer.h
index f04fc3a4a5..3fcc8c43b8 100644
--- a/tools/build/container_templates/kernel/ClassnameContainer.h
+++ b/tools/build/container_templates/kernel/ClassnameContainer.h
@@ -97,7 +97,7 @@ class IMPKERNELEXPORT ClassnameContainer : public Container {
   }
 
   //! Return size of current container content
-  //! Note that this may be expensive since my evaluate
+  //! Note that this may be expensive since it may involve
   //! refreshing of the container
   unsigned int get_number() const { return get_indexes().size(); }
 #ifndef SWIG

From af3d34b3a56027ac31eed4c5b6d1bd3c1de31a33 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 22 Sep 2021 10:37:06 -0700
Subject: [PATCH 207/250] Add basic tests for ListPairContainer

---
 .../test/test_list_pair_container.py          | 51 +++++++++++++++++++
 1 file changed, 51 insertions(+)
 create mode 100644 modules/container/test/test_list_pair_container.py

diff --git a/modules/container/test/test_list_pair_container.py b/modules/container/test/test_list_pair_container.py
new file mode 100644
index 0000000000..9f62f8d5cf
--- /dev/null
+++ b/modules/container/test/test_list_pair_container.py
@@ -0,0 +1,51 @@
+import IMP
+import IMP.test
+import IMP.container
+
+
+class TestMovedScore(IMP.PairScore):
+    def __init__(self, value, name="TestMovedScore %1%"):
+        IMP.PairScore.__init__(self, name)
+        self.value = value
+
+    def evaluate_index(self, m, pis, accum):
+        self.moved_pis = None
+        self.reset_pis = None
+        return self.value
+
+    def do_get_inputs(self, m, pis):
+        return [m.get_particle(i) for i in pis]
+
+
+class Tests(IMP.test.TestCase):
+
+    """Test ListPairContainer"""
+
+    def test_scoring(self):
+        """Test basic scoring of ListPairContainer"""
+        m = IMP.Model()
+        p1 = IMP.Particle(m)
+        p2 = IMP.Particle(m)
+        lpc = IMP.container.ListPairContainer(m, [(p1, p2)])
+        p1 = TestMovedScore(value=42.)
+        r1 = IMP.container.PairsRestraint(p1, lpc)
+        self.assertAlmostEqual(r1.evaluate(False), 42., delta=1e-6)
+        self.assertIsNone(p1.moved_pis)
+        self.assertIsNone(p1.reset_pis)
+
+    def test_scoring_moved(self):
+        """Test basic moved-scoring of ListPairContainer"""
+        m = IMP.Model()
+        p1 = IMP.Particle(m)
+        p2 = IMP.Particle(m)
+        lpc = IMP.container.ListPairContainer(m, [(p1, p2)])
+        p1 = TestMovedScore(value=42.)
+        r1 = IMP.container.PairsRestraint(p1, lpc)
+        self.assertAlmostEqual(r1.evaluate_moved(False, [], []),
+                               42., delta=1e-6)
+        self.assertIsNone(p1.moved_pis)
+        self.assertIsNone(p1.reset_pis)
+
+
+if __name__ == '__main__':
+    IMP.test.main()

From 31d2123d07aea33dc7710019763e0b43eabb6a49 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 22 Sep 2021 10:56:33 -0700
Subject: [PATCH 208/250] Fix typo

evaluate_indexes terminates before upper_bound, not at it.
---
 tools/build/container_templates/kernel/ClassnameScore.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/tools/build/container_templates/kernel/ClassnameScore.h b/tools/build/container_templates/kernel/ClassnameScore.h
index dd940c6133..cbcac35ead 100644
--- a/tools/build/container_templates/kernel/ClassnameScore.h
+++ b/tools/build/container_templates/kernel/ClassnameScore.h
@@ -62,7 +62,7 @@ class IMPKERNELEXPORT ClassnameScore : public ParticleInputs,
                 computed derivatives. If nullptr, derivatives
                 will not be computed.
       @param lower_bound index of first item in o to evaluate
-      @param upper_bound index of last item in o to evaluate
+      @param upper_bound index one past last item in o to evaluate
 
       @note Implementations for these are provided by
             the IMP_CLASSNAME_SCORE() macro.

From 880a9c8a47aaecb7f998bda22d488fee09516d08 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 22 Sep 2021 12:29:06 -0700
Subject: [PATCH 209/250] Add tests for ListSingletonContainer

---
 .../test/test_list_singleton_container.py     | 56 +++++++++++++++++++
 1 file changed, 56 insertions(+)
 create mode 100644 modules/container/test/test_list_singleton_container.py

diff --git a/modules/container/test/test_list_singleton_container.py b/modules/container/test/test_list_singleton_container.py
new file mode 100644
index 0000000000..bfadf9a4f4
--- /dev/null
+++ b/modules/container/test/test_list_singleton_container.py
@@ -0,0 +1,56 @@
+import IMP
+import IMP.test
+import IMP.container
+
+
+class TestMovedScore(IMP.SingletonScore):
+    def __init__(self, value, name="TestMovedScore %1%"):
+        IMP.SingletonScore.__init__(self, name)
+        self.value = value
+
+    def evaluate_index(self, m, pis, accum):
+        self.moved_pis = None
+        self.reset_pis = None
+        return self.value
+
+    def do_get_inputs(self, m, pis):
+        return [m.get_particle(i) for i in pis]
+
+
+class Tests(IMP.test.TestCase):
+
+    """Test ListSingletonContainer"""
+
+    def test_scoring(self):
+        """Test basic scoring of ListSingletonContainer"""
+        m = IMP.Model()
+        p1 = IMP.Particle(m)
+        lpc = IMP.container.ListSingletonContainer(m, [p1])
+        s1 = TestMovedScore(value=42.)
+        r1 = IMP.container.SingletonsRestraint(s1, lpc)
+        self.assertAlmostEqual(r1.evaluate(False), 42., delta=1e-6)
+        self.assertIsNone(s1.moved_pis)
+        self.assertIsNone(s1.reset_pis)
+
+    def test_scoring_moved(self):
+        """Test basic moved-scoring of ListSingletonContainer"""
+        m = IMP.Model()
+        p1 = IMP.Particle(m)
+        p2 = IMP.Particle(m)
+        p3 = IMP.Particle(m)
+        p4 = IMP.Particle(m)
+        lpc = IMP.container.ListSingletonContainer(m, [p4, p3, p2, p1])
+        s1 = TestMovedScore(value=42.)
+        r1 = IMP.container.SingletonsRestraint(s1, lpc)
+        self.assertAlmostEqual(r1.evaluate_moved(False, [], []),
+                               168., delta=1e-6)
+        self.assertIsNone(s1.moved_pis)
+        self.assertIsNone(s1.reset_pis)
+        self.assertAlmostEqual(r1.evaluate_moved(False, [p1], []),
+                               168., delta=1e-6)
+        self.assertAlmostEqual(r1.evaluate_moved(False, [p2], []),
+                               168., delta=1e-6)
+
+
+if __name__ == '__main__':
+    IMP.test.main()

From d2173261744932b7be65ac2ef8d3bc9de4af2275 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 22 Sep 2021 12:31:16 -0700
Subject: [PATCH 210/250] Add overlapping pairs to test

---
 .../container/test/test_list_pair_container.py | 18 ++++++++++++------
 1 file changed, 12 insertions(+), 6 deletions(-)

diff --git a/modules/container/test/test_list_pair_container.py b/modules/container/test/test_list_pair_container.py
index 9f62f8d5cf..f34e6e7d4a 100644
--- a/modules/container/test/test_list_pair_container.py
+++ b/modules/container/test/test_list_pair_container.py
@@ -38,13 +38,19 @@ def test_scoring_moved(self):
         m = IMP.Model()
         p1 = IMP.Particle(m)
         p2 = IMP.Particle(m)
-        lpc = IMP.container.ListPairContainer(m, [(p1, p2)])
-        p1 = TestMovedScore(value=42.)
-        r1 = IMP.container.PairsRestraint(p1, lpc)
+        p3 = IMP.Particle(m)
+        p4 = IMP.Particle(m)
+        lpc = IMP.container.ListPairContainer(m, [(p1, p2), (p2, p3), (p3, p4)])
+        s1 = TestMovedScore(value=42.)
+        r1 = IMP.container.PairsRestraint(s1, lpc)
         self.assertAlmostEqual(r1.evaluate_moved(False, [], []),
-                               42., delta=1e-6)
-        self.assertIsNone(p1.moved_pis)
-        self.assertIsNone(p1.reset_pis)
+                               126., delta=1e-6)
+        self.assertIsNone(s1.moved_pis)
+        self.assertIsNone(s1.reset_pis)
+        self.assertAlmostEqual(r1.evaluate_moved(False, [p1], []),
+                               126., delta=1e-6)
+        self.assertAlmostEqual(r1.evaluate_moved(False, [p2], []),
+                               126., delta=1e-6)
 
 
 if __name__ == '__main__':

From 73fbeb987c2ee0955ce789d2ad87af157470a15e Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 22 Sep 2021 16:36:51 -0700
Subject: [PATCH 211/250] Add cache to get changed container contents

Add functionality to, given a particle index, get
indexes into a container's contents of all particles
(or pairs,triples,quads) that need to be reevaluated
when that particle changes. The result is cached and
is cleared whenever the container contents change or
the model dependency graph is updated.
---
 .../internal/AccumulatorScoreModifier.h       | 122 ++++++++++++++++--
 .../include/internal/ContainerRestraint.h     |   5 +-
 2 files changed, 116 insertions(+), 11 deletions(-)

diff --git a/modules/kernel/include/internal/AccumulatorScoreModifier.h b/modules/kernel/include/internal/AccumulatorScoreModifier.h
index adb926356f..129f09e139 100644
--- a/modules/kernel/include/internal/AccumulatorScoreModifier.h
+++ b/modules/kernel/include/internal/AccumulatorScoreModifier.h
@@ -18,14 +18,93 @@
 #include <IMP/PairModifier.h>
 #include <IMP/TripletModifier.h>
 #include <IMP/QuadModifier.h>
+#include <IMP/SingletonScore.h>
+#include <IMP/SingletonContainer.h>
+#include <IMP/check_macros.h>
 
 IMPKERNEL_BEGIN_INTERNAL_NAMESPACE
 
-template <class Score>
+//! Get indexes of container contents that involve any of the given particles
+template<typename Score, typename Container>
+inline std::vector<unsigned> get_container_indexes(
+            const Vector<typename Score::IndexArgument> &contents,
+            const std::set<ParticleIndex> &ps) {
+  std::vector<unsigned> ret;
+  unsigned i = 0;
+  for (typename Vector<typename Score::IndexArgument>::const_iterator
+       cit = contents.begin(); cit != contents.end(); ++cit, ++i) {
+    for (typename Score::IndexArgument::const_iterator pit = cit->begin();
+         pit != cit->end(); ++pit) {
+      if (ps.find(*pit) != ps.end()) {
+        ret.push_back(i);
+        break;
+      }
+    }
+  }
+  return ret;
+}
+
+// Specialization for SingletonContainer, where each content entry is
+// a ParticleIndex, not a fixed-size array of indexes
+template<> inline std::vector<unsigned>
+get_container_indexes<SingletonScore, SingletonContainer>(
+         const Vector<ParticleIndex> &contents,
+         const std::set<ParticleIndex> &ps) {
+  std::vector<unsigned> ret;
+  unsigned i = 0;
+  for (Vector<ParticleIndex>::const_iterator cit = contents.begin();
+       cit != contents.end(); ++cit, ++i) {
+    if (ps.find(*cit) != ps.end()) {
+      ret.push_back(i);
+      break;
+    }
+  }
+  return ret;
+}
+
+
+// Map a given Particle to indexes of all container contents that involve
+// that particle.
+// The result is cached. This cache should be cleared whenever either
+// the container contents or the model dependency graph change.
+template <class Score, class Container>
+class MovedIndexesMap {
+  typedef std::map<ParticleIndex, std::vector<unsigned> > CacheMap;
+  mutable CacheMap cache_;
+  IMP::WeakPointer<Container> container_;
+
+public:
+  void set_container(Container *c) {
+    container_ = c;
+  }
+
+  const std::vector<unsigned> &get(Model *m, ParticleIndex pi) const {
+    CacheMap::const_iterator it = cache_.find(pi);
+    if (it == cache_.end()) {
+      cache_[pi] = get_container_indexes<Score, Container>(
+                      container_->get_contents(),
+                      m->get_dependent_particles(pi));
+      it = cache_.find(pi);
+    }
+    return it->second;
+  }
+
+  // clear when dependency graph changes, and/or
+  // container contents changed
+  void clear() { cache_.clear(); }
+};
+
+
+template <class Score, class Container>
 class AccumulatorScoreModifier : public Score::Modifier {
   IMP::PointerMember<Score> ss_;
   mutable ScoreAccumulator sa_;
   mutable double score_;
+  std::size_t container_contents_hash_;
+  unsigned moved_particles_cache_age_;
+  bool have_last_score_, have_last_last_score_;
+  mutable std::vector<double> last_score_, last_last_score_;
+  MovedIndexesMap<Score, Container> moved_indexes_map_;
 
  public:
   //! Create the restraint.
@@ -34,8 +113,11 @@ class AccumulatorScoreModifier : public Score::Modifier {
   */
   AccumulatorScoreModifier(Score *ss)
       : Score::Modifier(ss->get_name() + " accumulator"),
-        ss_(ss),
-        score_(BAD_SCORE) {}
+        ss_(ss), score_(BAD_SCORE),
+        container_contents_hash_(-1),
+        moved_particles_cache_age_(0),
+        have_last_score_(false),
+        have_last_last_score_(false) {}
 
   double get_score() const {
     Score::Modifier::set_was_used(true);
@@ -50,6 +132,24 @@ class AccumulatorScoreModifier : public Score::Modifier {
     score_ = 0;
   }
 
+  void set_container(Container *c) {
+    moved_indexes_map_.set_container(c);
+    Model *m = c->get_model();
+    unsigned dependencies_age = m->get_dependencies_updated();
+    // clear cache if model dependencies or container contents changed
+    if (container_contents_hash_ != c->get_contents_hash()
+        || moved_particles_cache_age_ != dependencies_age) {
+      container_contents_hash_ = c->get_contents_hash();
+      moved_particles_cache_age_ = dependencies_age;
+      moved_indexes_map_.clear();
+      unsigned sz = c->get_number();
+      last_score_.resize(sz);
+      last_last_score_.resize(sz);
+      have_last_score_ = false;
+      have_last_last_score_ = false;
+    }
+  }
+
   virtual void apply_index(Model *m, typename Score::PassIndexArgument a) const
       IMP_OVERRIDE {
     double score =
@@ -74,10 +174,13 @@ class AccumulatorScoreModifier : public Score::Modifier {
       unsigned int lower_bound, unsigned int upper_bound,
       const ParticleIndexes &moved_pis,
       const ParticleIndexes &reset_pis) const IMP_OVERRIDE {
+    IMP_INTERNAL_CHECK(upper_bound <= last_score_.size(),
+                       "score vector corrupt");
     IMP_UNUSED(moved_pis);
     IMP_UNUSED(reset_pis);
-    double score = ss_->evaluate_indexes(m, a, sa_.get_derivative_accumulator(),
-                                         lower_bound, upper_bound);
+    double score = ss_->evaluate_indexes_scores(
+               m, a, sa_.get_derivative_accumulator(),
+               lower_bound, upper_bound, last_score_, last_last_score_);
     IMP_OMP_PRAGMA(atomic)
     score_ += score;
     sa_.add_score(score);
@@ -99,10 +202,11 @@ class AccumulatorScoreModifier : public Score::Modifier {
   // fall back on base for all else
 };
 
-template <class Score>
-inline AccumulatorScoreModifier<Score> *create_accumulator_score_modifier(
-    Score *s) {
-  return new AccumulatorScoreModifier<Score>(s);
+template <class Score, class Container>
+inline AccumulatorScoreModifier<Score, Container>
+*create_accumulator_score_modifier(Score *s, Container *c) {
+  IMP_UNUSED(c);
+  return new AccumulatorScoreModifier<Score, Container>(s);
 }
 
 IMPKERNEL_END_INTERNAL_NAMESPACE
diff --git a/modules/kernel/include/internal/ContainerRestraint.h b/modules/kernel/include/internal/ContainerRestraint.h
index 1de751048e..138e48e6f2 100644
--- a/modules/kernel/include/internal/ContainerRestraint.h
+++ b/modules/kernel/include/internal/ContainerRestraint.h
@@ -24,7 +24,7 @@ IMPKERNEL_BEGIN_INTERNAL_NAMESPACE
 template <class Score, class Container>
 class ContainerRestraint : public Restraint {
   IMP::PointerMember<Container> pc_;
-  IMP::Pointer<AccumulatorScoreModifier<Score> > acc_;
+  IMP::Pointer<AccumulatorScoreModifier<Score, Container> > acc_;
 
  public:
   ContainerRestraint(Score *ss, Container *pc,
@@ -74,7 +74,7 @@ ContainerRestraint<Score, C>::ContainerRestraint(Score *ss, C *pc,
                                                  std::string name)
     : Restraint(pc->get_model(), name),
       pc_(pc),
-      acc_(create_accumulator_score_modifier(ss)) {}
+      acc_(create_accumulator_score_modifier(ss, pc)) {}
 
 template <class Score, class C>
 double ContainerRestraint<Score, C>::get_last_score() const {
@@ -100,6 +100,7 @@ void ContainerRestraint<Score, C>::do_add_score_and_derivatives_moved(
   IMP_CHECK_OBJECT(acc_);
   IMP_CHECK_OBJECT(pc_);
   acc_->set_accumulator(accum);
+  acc_->set_container(pc_);
   pc_->apply_generic_moved(acc_.get(), moved_pis, reset_pis);
 }
 

From 004bb3a202d9271343f5afdc9c59887e33f8c096 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 23 Sep 2021 16:05:18 -0700
Subject: [PATCH 212/250] Use moved-particle info to speed up
 ContainerRestraint

---
 .../internal/AccumulatorScoreModifier.h       | 76 ++++++++++++++++---
 .../include/DistancePairScoreWithCache.h      | 21 ++---
 .../kernel/ClassnameScore.h                   | 15 ++--
 .../kernel/classname_macros.h                 | 12 +--
 .../container_templates/kernel/classnames.cpp | 12 +--
 5 files changed, 87 insertions(+), 49 deletions(-)

diff --git a/modules/kernel/include/internal/AccumulatorScoreModifier.h b/modules/kernel/include/internal/AccumulatorScoreModifier.h
index 129f09e139..ab5e06183d 100644
--- a/modules/kernel/include/internal/AccumulatorScoreModifier.h
+++ b/modules/kernel/include/internal/AccumulatorScoreModifier.h
@@ -102,8 +102,10 @@ class AccumulatorScoreModifier : public Score::Modifier {
   mutable double score_;
   std::size_t container_contents_hash_;
   unsigned moved_particles_cache_age_;
-  bool have_last_score_, have_last_last_score_;
-  mutable std::vector<double> last_score_, last_last_score_;
+  mutable std::vector<double> last_score_;
+  mutable double total_last_score_;
+  mutable ParticleIndex last_moved_particle_;
+  mutable double last_moved_delta_;
   MovedIndexesMap<Score, Container> moved_indexes_map_;
 
  public:
@@ -116,8 +118,7 @@ class AccumulatorScoreModifier : public Score::Modifier {
         ss_(ss), score_(BAD_SCORE),
         container_contents_hash_(-1),
         moved_particles_cache_age_(0),
-        have_last_score_(false),
-        have_last_last_score_(false) {}
+        total_last_score_(BAD_SCORE), last_moved_delta_(BAD_SCORE) {}
 
   double get_score() const {
     Score::Modifier::set_was_used(true);
@@ -144,9 +145,10 @@ class AccumulatorScoreModifier : public Score::Modifier {
       moved_indexes_map_.clear();
       unsigned sz = c->get_number();
       last_score_.resize(sz);
-      last_last_score_.resize(sz);
-      have_last_score_ = false;
-      have_last_last_score_ = false;
+      // Invalidate all moved/reset information; it will no longer apply
+      // to the new container contents
+      total_last_score_ = BAD_SCORE;
+      last_moved_delta_ = BAD_SCORE;
     }
   }
 
@@ -174,15 +176,65 @@ class AccumulatorScoreModifier : public Score::Modifier {
       unsigned int lower_bound, unsigned int upper_bound,
       const ParticleIndexes &moved_pis,
       const ParticleIndexes &reset_pis) const IMP_OVERRIDE {
+    // Only support moved speedups when evaluating the entire container,
+    // and without derivatives, for now
+    if (lower_bound != 0 || upper_bound != a.size()
+        || sa_.get_derivative_accumulator()) {
+      apply_indexes(m, a, lower_bound, upper_bound);
+      return;
+    }
+
     IMP_INTERNAL_CHECK(upper_bound <= last_score_.size(),
                        "score vector corrupt");
-    IMP_UNUSED(moved_pis);
-    IMP_UNUSED(reset_pis);
-    double score = ss_->evaluate_indexes_scores(
-               m, a, sa_.get_derivative_accumulator(),
-               lower_bound, upper_bound, last_score_, last_last_score_);
+    double score;
+    if (moved_pis.size() > 1 || reset_pis.size() > 1
+        || total_last_score_ == BAD_SCORE) {
+      // do full score the first time around, or for unsupported moves
+      score = ss_->evaluate_indexes_scores(
+                 m, a, sa_.get_derivative_accumulator(),
+                 lower_bound, upper_bound, last_score_);
+      last_moved_delta_ = BAD_SCORE;
+    } else {
+      score = total_last_score_;
+      // First, score any reset particles
+      if (reset_pis.size() == 1) {
+        std::cerr << "reset particle " << reset_pis[0] << std::endl;
+        // If we moved these same particles before, we know the delta
+        if (last_moved_particle_ == reset_pis[0]
+            && last_moved_delta_ != BAD_SCORE) {
+          std::cerr << "reset of previous move, subtract delta" << std::endl;
+          score -= last_moved_delta_;
+        // Otherwise, rescore just like moved_pis (unless we both reset *and*
+        // moved the same set of particles, in which case it will be
+        // handled by moved_pis, below)
+        } else if (moved_pis.size() == 0 || moved_pis[0] != reset_pis[0]) {
+          std::cerr << "rescore reset particles" << std::endl;
+          const std::vector<unsigned> &inds = moved_indexes_map_.get(
+                                                     m, reset_pis[0]);
+          double moved_score = ss_->evaluate_indexes_delta(
+                 m, a, sa_.get_derivative_accumulator(), inds, last_score_);
+          std::cerr << ", giving score delta " << moved_score << std::endl;
+          score += moved_score;
+        }
+      }
+      last_moved_delta_ = BAD_SCORE;
+      // Next, score any moved particles
+      if (moved_pis.size() == 1) {
+        std::cerr << "moved particle " << moved_pis[0] << std::endl;
+        const std::vector<unsigned> &inds = moved_indexes_map_.get(
+                                                     m, moved_pis[0]);
+        double moved_score = ss_->evaluate_indexes_delta(
+               m, a, sa_.get_derivative_accumulator(), inds, last_score_);
+        // Record score delta in case we need to reset it later
+        last_moved_delta_ = moved_score;
+        last_moved_particle_ = moved_pis[0];
+        std::cerr << ", giving score delta " << moved_score << std::endl;
+        score += moved_score;
+      }
+    }
     IMP_OMP_PRAGMA(atomic)
     score_ += score;
+    total_last_score_ = score;
     sa_.add_score(score);
   }
 
diff --git a/modules/score_functor/include/DistancePairScoreWithCache.h b/modules/score_functor/include/DistancePairScoreWithCache.h
index aa0582ee5e..cc1994d8a4 100644
--- a/modules/score_functor/include/DistancePairScoreWithCache.h
+++ b/modules/score_functor/include/DistancePairScoreWithCache.h
@@ -60,13 +60,12 @@ class DistancePairScoreWithCache : public PairScore {
   virtual double evaluate_indexes_scores(
        Model *m, const ParticleIndexPairs &p, DerivativeAccumulator *da,
        unsigned int lower_bound, unsigned int upper_bound,
-       std::vector<double> &score,
-       std::vector<double> &last_score) const IMP_OVERRIDE;
+       std::vector<double> &score) const IMP_OVERRIDE;
 
-  virtual double evaluate_indexes_scores(
+  virtual double evaluate_indexes_delta(
        Model *m, const ParticleIndexPairs &p, DerivativeAccumulator *da,
-       const std::vector<unsigned> &indexes, std::vector<double> &score,
-       std::vector<double> &last_score) const IMP_OVERRIDE;
+       const std::vector<unsigned> &indexes,
+       std::vector<double> &score) const IMP_OVERRIDE;
 
   IMP_OBJECT_METHODS(DistancePairScoreWithCache);
 };
@@ -90,13 +89,11 @@ inline double
 DistancePairScoreWithCache<DistanceScore>::evaluate_indexes_scores(
        Model *m, const ParticleIndexPairs &p, DerivativeAccumulator *da,
        unsigned int lower_bound, unsigned int upper_bound,
-       std::vector<double> &score,
-       std::vector<double> &last_score) const {
+       std::vector<double> &score) const {
   double ret = 0;
   ds_.check_cache_valid(m);
   for (unsigned int i = lower_bound; i < upper_bound; ++i) {
     double s = evaluate_index_with_cache(m, p[i], da);
-    last_score[i] = score[i];
     score[i] = s;
     ret += s;
   }
@@ -105,18 +102,16 @@ DistancePairScoreWithCache<DistanceScore>::evaluate_indexes_scores(
 
 template <class DistanceScore>
 inline double
-DistancePairScoreWithCache<DistanceScore>::evaluate_indexes_scores(
+DistancePairScoreWithCache<DistanceScore>::evaluate_indexes_delta(
        Model *m, const ParticleIndexPairs &p, DerivativeAccumulator *da,
-       const std::vector<unsigned> &indexes, std::vector<double> &score,
-       std::vector<double> &last_score) const {
+       const std::vector<unsigned> &indexes, std::vector<double> &score) const {
   double ret = 0;
   ds_.check_cache_valid(m);
   for (std::vector<unsigned>::const_iterator it = indexes.begin();
        it != indexes.end(); ++it) {
     double s = evaluate_index_with_cache(m, p[*it], da);
-    last_score[*it] = score[*it];
+    ret = ret - score[*it] + s;
     score[*it] = s;
-    ret += s;
   }
   return ret;
 }
diff --git a/tools/build/container_templates/kernel/ClassnameScore.h b/tools/build/container_templates/kernel/ClassnameScore.h
index cbcac35ead..5814ab3e96 100644
--- a/tools/build/container_templates/kernel/ClassnameScore.h
+++ b/tools/build/container_templates/kernel/ClassnameScore.h
@@ -80,18 +80,17 @@ class IMPKERNELEXPORT ClassnameScore : public ParticleInputs,
                         DerivativeAccumulator *da,
                         unsigned int lower_bound,
                         unsigned int upper_bound,
-                        std::vector<double> &score,
-                        std::vector<double> &last_score) const;
+                        std::vector<double> &score) const;
 
-  //! Compute the score and the derivative if needed over a set.
-  /** The score for each o[indexes[x]] is returned in score[indexes[x]]
-      and the total score is also returned. */
-  virtual double evaluate_indexes_scores(
+  //! Compute the change in score and the derivative if needed over a set.
+  /** The score for each o[indexes[x]] is updated in score[indexes[x]]
+      and the total difference between the old and new score values (over the
+      set) is returned. */
+  virtual double evaluate_indexes_delta(
                         Model *m, const PLURALINDEXTYPE &o,
                         DerivativeAccumulator *da,
                         const std::vector<unsigned> &indexes,
-                        std::vector<double> &score,
-                        std::vector<double> &last_score) const;
+                        std::vector<double> &score) const;
 
   //! Compute the score and the derivative if needed, only if "good".
   /** This functions similarly to evaluate_index(),
diff --git a/tools/build/container_templates/kernel/classname_macros.h b/tools/build/container_templates/kernel/classname_macros.h
index 0b0fe0db7d..c7498e1699 100644
--- a/tools/build/container_templates/kernel/classname_macros.h
+++ b/tools/build/container_templates/kernel/classname_macros.h
@@ -33,32 +33,28 @@
                   Model *m, const PLURALINDEXTYPE &p,                          \
                   DerivativeAccumulator *da, unsigned int lower_bound,         \
                   unsigned int upper_bound,                                    \
-                  std::vector<double> &score,                                  \
-                  std::vector<double> &last_score)                             \
+                  std::vector<double> &score)                                  \
                   const IMP_OVERRIDE IMP_FINAL {                               \
     double ret = 0;                                                            \
     for (unsigned int i = lower_bound; i < upper_bound; ++i) {                 \
       double s = evaluate_index(m, p[i], da);                                  \
-      last_score[i] = score[i];                                                \
       score[i] = s;                                                            \
       ret += s;                                                                \
     }                                                                          \
     return ret;                                                                \
   }                                                                            \
-  double evaluate_indexes_scores(                                              \
+  double evaluate_indexes_delta(                                               \
                   Model *m, const PLURALINDEXTYPE &p,                          \
                   DerivativeAccumulator *da,                                   \
                   const std::vector<unsigned> &indexes,                        \
-                  std::vector<double> &score,                                  \
-                  std::vector<double> &last_score)                             \
+                  std::vector<double> &score)                                  \
                   const IMP_OVERRIDE IMP_FINAL {                               \
     double ret = 0;                                                            \
     for (std::vector<unsigned>::const_iterator it = indexes.begin();           \
          it != indexes.end(); ++it) {                                          \
       double s = evaluate_index(m, p[*it], da);                                \
-      last_score[*it] = score[*it];                                            \
+      ret = ret - score[*it] + s;                                              \
       score[*it] = s;                                                          \
-      ret += s;                                                                \
     }                                                                          \
     return ret;                                                                \
   }                                                                            \
diff --git a/tools/build/container_templates/kernel/classnames.cpp b/tools/build/container_templates/kernel/classnames.cpp
index ca0c609251..d79762f532 100644
--- a/tools/build/container_templates/kernel/classnames.cpp
+++ b/tools/build/container_templates/kernel/classnames.cpp
@@ -128,31 +128,27 @@ double ClassnameScore::evaluate_indexes_scores(
                 Model *m, const PLURALINDEXTYPE &p,
                 DerivativeAccumulator *da, unsigned int lower_bound,
                 unsigned int upper_bound,
-                std::vector<double> &score,
-                std::vector<double> &last_score) const {
+                std::vector<double> &score) const {
   double ret = 0;
   for (unsigned int i = lower_bound; i < upper_bound; ++i) {
     double s = evaluate_index(m, p[i], da);
-    last_score[i] = score[i];
     score[i] = s;
     ret += s;
   }
   return ret;
 }
 
-double ClassnameScore::evaluate_indexes_scores(
+double ClassnameScore::evaluate_indexes_delta(
                 Model *m, const PLURALINDEXTYPE &p,
                 DerivativeAccumulator *da,
                 const std::vector<unsigned> &indexes,
-                std::vector<double> &score,
-                std::vector<double> &last_score) const {
+                std::vector<double> &score) const {
   double ret = 0;
   for (std::vector<unsigned>::const_iterator it = indexes.begin();
        it != indexes.end(); ++it) {
     double s = evaluate_index(m, p[*it], da);
-    last_score[*it] = score[*it];
+    ret = ret - score[*it] + s;
     score[*it] = s;
-    ret += s;
   }
   return ret;
 }

From ba9adc41a96561465b1cd17a244effab7d8c42c3 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 23 Sep 2021 20:36:46 -0700
Subject: [PATCH 213/250] Store old per-index scores of moved particles

We need the "old" score of each moved entry in
order to restore this score on reset.
---
 .../internal/AccumulatorScoreModifier.h        | 18 ++++++++++++++++--
 1 file changed, 16 insertions(+), 2 deletions(-)

diff --git a/modules/kernel/include/internal/AccumulatorScoreModifier.h b/modules/kernel/include/internal/AccumulatorScoreModifier.h
index ab5e06183d..c9b6f1421f 100644
--- a/modules/kernel/include/internal/AccumulatorScoreModifier.h
+++ b/modules/kernel/include/internal/AccumulatorScoreModifier.h
@@ -105,6 +105,7 @@ class AccumulatorScoreModifier : public Score::Modifier {
   mutable std::vector<double> last_score_;
   mutable double total_last_score_;
   mutable ParticleIndex last_moved_particle_;
+  mutable std::vector<double> last_last_score_;
   mutable double last_moved_delta_;
   MovedIndexesMap<Score, Container> moved_indexes_map_;
 
@@ -199,18 +200,25 @@ class AccumulatorScoreModifier : public Score::Modifier {
       // First, score any reset particles
       if (reset_pis.size() == 1) {
         std::cerr << "reset particle " << reset_pis[0] << std::endl;
+        const std::vector<unsigned> &inds = moved_indexes_map_.get(
+                                                   m, reset_pis[0]);
         // If we moved these same particles before, we know the delta
         if (last_moved_particle_ == reset_pis[0]
             && last_moved_delta_ != BAD_SCORE) {
           std::cerr << "reset of previous move, subtract delta" << std::endl;
           score -= last_moved_delta_;
+          // Reset the previous per-index scores
+          std::vector<double>::const_iterator scoreit;
+          std::vector<unsigned>::const_iterator indsit;
+          for (scoreit = last_last_score_.begin(), indsit = inds.begin();
+               scoreit != last_last_score_.end(); ++scoreit, ++indsit) {
+            last_score_[*indsit] = *scoreit;
+          }
         // Otherwise, rescore just like moved_pis (unless we both reset *and*
         // moved the same set of particles, in which case it will be
         // handled by moved_pis, below)
         } else if (moved_pis.size() == 0 || moved_pis[0] != reset_pis[0]) {
           std::cerr << "rescore reset particles" << std::endl;
-          const std::vector<unsigned> &inds = moved_indexes_map_.get(
-                                                     m, reset_pis[0]);
           double moved_score = ss_->evaluate_indexes_delta(
                  m, a, sa_.get_derivative_accumulator(), inds, last_score_);
           std::cerr << ", giving score delta " << moved_score << std::endl;
@@ -223,6 +231,12 @@ class AccumulatorScoreModifier : public Score::Modifier {
         std::cerr << "moved particle " << moved_pis[0] << std::endl;
         const std::vector<unsigned> &inds = moved_indexes_map_.get(
                                                      m, moved_pis[0]);
+        // Record per-index scores in case we need to reset them later
+        last_last_score_.clear();
+        for (std::vector<unsigned>::const_iterator indsit = inds.begin();
+             indsit != inds.end(); ++indsit) {
+          last_last_score_.push_back(last_score_[*indsit]);
+        }
         double moved_score = ss_->evaluate_indexes_delta(
                m, a, sa_.get_derivative_accumulator(), inds, last_score_);
         // Record score delta in case we need to reset it later

From 46d97f835e4397e406ffc2d36ea37189fb56f33a Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 23 Sep 2021 20:38:34 -0700
Subject: [PATCH 214/250] Add test of MonteCarlo on a ListPairContainer

---
 modules/core/test/test_monte_carlo.py | 43 ++++++++++++++++++++-------
 1 file changed, 32 insertions(+), 11 deletions(-)

diff --git a/modules/core/test/test_monte_carlo.py b/modules/core/test/test_monte_carlo.py
index 7907fc8b83..e3a7615f40 100644
--- a/modules/core/test/test_monte_carlo.py
+++ b/modules/core/test/test_monte_carlo.py
@@ -4,7 +4,7 @@
 import IMP.container
 
 
-def setup_system(coords):
+def setup_system(coords, use_container):
     m = IMP.Model()
     mc = IMP.core.MonteCarlo(m)
     ps = []
@@ -19,12 +19,14 @@ def setup_system(coords):
     # so we can check that any needed states are updated
     cent = IMP.core.Centroid.setup_particle(IMP.Particle(m), [ps[5], ps[6]])
     hps = IMP.core.HarmonicDistancePairScore(1, 100)
-    r1 = IMP.core.PairRestraint(m, hps, [ps[0], ps[1]])
-    r2 = IMP.core.PairRestraint(m, hps, [ps[1], ps[2]])
-    r3 = IMP.core.PairRestraint(m, hps, [ps[2], ps[3]])
-    r4 = IMP.core.PairRestraint(m, hps, [ps[4], cent])
-    rs = IMP.RestraintSet(m)
-    rs.add_restraints([r1, r2, r3, r4])
+    pairs = ((ps[0], ps[1]), (ps[1], ps[2]), (ps[2], ps[3]), (ps[4], cent))
+    if use_container:
+        lpc = IMP.container.ListPairContainer(m, pairs)
+        rs = IMP.container.PairsRestraint(hps, lpc)
+    else:
+        prs = [IMP.core.PairRestraint(m, hps, p) for p in pairs]
+        rs = IMP.RestraintSet(m)
+        rs.add_restraints(prs)
     mc.set_scoring_function(rs)
     ms = [IMP.core.BallMover(m, x, 0.05) for x in ps[:5]]
     ms.append(IMP.core.BallMover(m, ps[5:8], 0.05))
@@ -71,12 +73,31 @@ def test_stats(self):
                              mc.get_number_of_downward_steps())
             self.assertEqual(mc.get_number_of_proposed_steps(), 100)
 
-    def test_moved_same_trajectory(self):
-        """MonteCarlo trajectory should not be changed by set_score_moved()"""
+    def test_restraint_set_moved_same_trajectory(self):
+        """MonteCarlo trajectory should not be changed by set_score_moved()
+           when using RestraintSet"""
         bb = IMP.algebra.get_unit_bounding_box_3d()
         coords = [IMP.algebra.get_random_vector_in(bb) for _ in range(10)]
-        m1, mc1 = setup_system(coords)
-        m2, mc2 = setup_system(coords)
+        m1, mc1 = setup_system(coords, use_container=False)
+        m2, mc2 = setup_system(coords, use_container=False)
+
+        # Same seeed, same system, so we should get identical trajectories
+        IMP.random_number_generator.seed(99)
+        mc1_score = mc1.optimize(100)
+
+        mc2.set_score_moved(True)
+        IMP.random_number_generator.seed(99)
+        mc2_score = mc2.optimize(100)
+
+        self.assertAlmostEqual(mc1_score, mc2_score, delta=1e-2)
+
+    def test_pair_container_moved_same_trajectory(self):
+        """MonteCarlo trajectory should not be changed by set_score_moved()
+           when using ListPairContainer"""
+        bb = IMP.algebra.get_unit_bounding_box_3d()
+        coords = [IMP.algebra.get_random_vector_in(bb) for _ in range(10)]
+        m1, mc1 = setup_system(coords, use_container=True)
+        m2, mc2 = setup_system(coords, use_container=True)
 
         # Same seeed, same system, so we should get identical trajectories
         IMP.random_number_generator.seed(99)

From c7bafadd0e755c72412a36f15e848b021dcec959 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Thu, 23 Sep 2021 21:57:34 -0700
Subject: [PATCH 215/250] Add implementation for SingletonScore subclasses

---
 .../internal/AccumulatorScoreModifier.h       | 20 +++++++++++--------
 1 file changed, 12 insertions(+), 8 deletions(-)

diff --git a/modules/kernel/include/internal/AccumulatorScoreModifier.h b/modules/kernel/include/internal/AccumulatorScoreModifier.h
index c9b6f1421f..2ec847511b 100644
--- a/modules/kernel/include/internal/AccumulatorScoreModifier.h
+++ b/modules/kernel/include/internal/AccumulatorScoreModifier.h
@@ -19,14 +19,16 @@
 #include <IMP/TripletModifier.h>
 #include <IMP/QuadModifier.h>
 #include <IMP/SingletonScore.h>
-#include <IMP/SingletonContainer.h>
 #include <IMP/check_macros.h>
+#include <boost/utility/enable_if.hpp>
 
 IMPKERNEL_BEGIN_INTERNAL_NAMESPACE
 
 //! Get indexes of container contents that involve any of the given particles
-template<typename Score, typename Container>
-inline std::vector<unsigned> get_container_indexes(
+template<typename Score> inline
+typename boost::disable_if<boost::is_base_of<SingletonScore, Score>,
+                           std::vector<unsigned> >::type
+get_container_indexes(
             const Vector<typename Score::IndexArgument> &contents,
             const std::set<ParticleIndex> &ps) {
   std::vector<unsigned> ret;
@@ -46,10 +48,12 @@ inline std::vector<unsigned> get_container_indexes(
 
 // Specialization for SingletonContainer, where each content entry is
 // a ParticleIndex, not a fixed-size array of indexes
-template<> inline std::vector<unsigned>
-get_container_indexes<SingletonScore, SingletonContainer>(
-         const Vector<ParticleIndex> &contents,
-         const std::set<ParticleIndex> &ps) {
+template<typename Score> inline
+typename boost::enable_if<boost::is_base_of<SingletonScore, Score>,
+                          std::vector<unsigned> >::type
+get_container_indexes(
+            const Vector<typename Score::IndexArgument> &contents,
+            const std::set<ParticleIndex> &ps) {
   std::vector<unsigned> ret;
   unsigned i = 0;
   for (Vector<ParticleIndex>::const_iterator cit = contents.begin();
@@ -81,7 +85,7 @@ class MovedIndexesMap {
   const std::vector<unsigned> &get(Model *m, ParticleIndex pi) const {
     CacheMap::const_iterator it = cache_.find(pi);
     if (it == cache_.end()) {
-      cache_[pi] = get_container_indexes<Score, Container>(
+      cache_[pi] = get_container_indexes<Score>(
                       container_->get_contents(),
                       m->get_dependent_particles(pi));
       it = cache_.find(pi);

From 7a4777264e51e77af4769da46036cc799e5e1fcf Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 24 Sep 2021 15:20:00 -0700
Subject: [PATCH 216/250] Get all SingletonContainer contents, not just first

Don't break after finding the first particle in
the SingletonContainer; there may be duplicates.
---
 modules/kernel/include/internal/AccumulatorScoreModifier.h | 1 -
 1 file changed, 1 deletion(-)

diff --git a/modules/kernel/include/internal/AccumulatorScoreModifier.h b/modules/kernel/include/internal/AccumulatorScoreModifier.h
index 2ec847511b..356e5f8127 100644
--- a/modules/kernel/include/internal/AccumulatorScoreModifier.h
+++ b/modules/kernel/include/internal/AccumulatorScoreModifier.h
@@ -60,7 +60,6 @@ get_container_indexes(
        cit != contents.end(); ++cit, ++i) {
     if (ps.find(*cit) != ps.end()) {
       ret.push_back(i);
-      break;
     }
   }
   return ret;

From e56039679cae924745a155ab5e04fb27202875fa Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 24 Sep 2021 15:21:51 -0700
Subject: [PATCH 217/250] Don't reset after rescore_reset+move

If we had to rescore particles for a reset *and*
score particles for a move, we can't reset that
move without rescoring because the reset will reset
both the move and the reset, if there is any overlap
between the reset and moved container indexes.
---
 .../internal/AccumulatorScoreModifier.h       | 38 +++++++++++++------
 1 file changed, 26 insertions(+), 12 deletions(-)

diff --git a/modules/kernel/include/internal/AccumulatorScoreModifier.h b/modules/kernel/include/internal/AccumulatorScoreModifier.h
index 356e5f8127..88fd79a6c0 100644
--- a/modules/kernel/include/internal/AccumulatorScoreModifier.h
+++ b/modules/kernel/include/internal/AccumulatorScoreModifier.h
@@ -199,16 +199,15 @@ class AccumulatorScoreModifier : public Score::Modifier {
                  lower_bound, upper_bound, last_score_);
       last_moved_delta_ = BAD_SCORE;
     } else {
+      bool rescore_reset = false;
       score = total_last_score_;
       // First, score any reset particles
       if (reset_pis.size() == 1) {
-        std::cerr << "reset particle " << reset_pis[0] << std::endl;
         const std::vector<unsigned> &inds = moved_indexes_map_.get(
                                                    m, reset_pis[0]);
         // If we moved these same particles before, we know the delta
         if (last_moved_particle_ == reset_pis[0]
             && last_moved_delta_ != BAD_SCORE) {
-          std::cerr << "reset of previous move, subtract delta" << std::endl;
           score -= last_moved_delta_;
           // Reset the previous per-index scores
           std::vector<double>::const_iterator scoreit;
@@ -221,33 +220,48 @@ class AccumulatorScoreModifier : public Score::Modifier {
         // moved the same set of particles, in which case it will be
         // handled by moved_pis, below)
         } else if (moved_pis.size() == 0 || moved_pis[0] != reset_pis[0]) {
-          std::cerr << "rescore reset particles" << std::endl;
-          double moved_score = ss_->evaluate_indexes_delta(
+          rescore_reset = true;
+          score += ss_->evaluate_indexes_delta(
                  m, a, sa_.get_derivative_accumulator(), inds, last_score_);
-          std::cerr << ", giving score delta " << moved_score << std::endl;
-          score += moved_score;
         }
       }
       last_moved_delta_ = BAD_SCORE;
       // Next, score any moved particles
       if (moved_pis.size() == 1) {
-        std::cerr << "moved particle " << moved_pis[0] << std::endl;
         const std::vector<unsigned> &inds = moved_indexes_map_.get(
                                                      m, moved_pis[0]);
         // Record per-index scores in case we need to reset them later
-        last_last_score_.clear();
-        for (std::vector<unsigned>::const_iterator indsit = inds.begin();
-             indsit != inds.end(); ++indsit) {
-          last_last_score_.push_back(last_score_[*indsit]);
+        if (!rescore_reset) {
+          last_last_score_.clear();
+          for (std::vector<unsigned>::const_iterator indsit = inds.begin();
+               indsit != inds.end(); ++indsit) {
+            last_last_score_.push_back(last_score_[*indsit]);
+          }
         }
         double moved_score = ss_->evaluate_indexes_delta(
                m, a, sa_.get_derivative_accumulator(), inds, last_score_);
         // Record score delta in case we need to reset it later
         last_moved_delta_ = moved_score;
         last_moved_particle_ = moved_pis[0];
-        std::cerr << ", giving score delta " << moved_score << std::endl;
+        // If we had to rescore any reset particles, we actually rescored
+        // them on their *current* positions, which also includes any moved_pis.
+        // Thus, if the inds from moved_pis and reset_pis overlap, we cannot
+        // reset the score to the "after reset but before move" state because
+        // the reset would actually go to "before reset and before move".
+        if (rescore_reset) {
+          // strictly speaking this is only needed if inds(moved_pis) and
+          // inds(reset_pis) overlap
+          last_moved_delta_ = BAD_SCORE;
+        }
         score += moved_score;
       }
+#if IMP_HAS_CHECKS >= IMP_INTERNAL
+      double full_score = ss_->evaluate_indexes(
+                   m, a, sa_.get_derivative_accumulator(),
+                   lower_bound, upper_bound);
+      IMP_INTERNAL_CHECK_FLOAT_EQUAL(score, full_score,
+                    "Moved score does not match full score");
+#endif
     }
     IMP_OMP_PRAGMA(atomic)
     score_ += score;

From 84ed446163b4de43fea39f18bd195450afc66d18 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 24 Sep 2021 15:24:40 -0700
Subject: [PATCH 218/250] Add MonteCarlo test for ListSingletonContainer

Make sure that MC gives the same trajectories
when using a ListSingletonContainer whether we
do a "full" score or a "moved" score.
---
 modules/core/test/test_monte_carlo.py | 30 ++++++++++++++++++++++++---
 1 file changed, 27 insertions(+), 3 deletions(-)

diff --git a/modules/core/test/test_monte_carlo.py b/modules/core/test/test_monte_carlo.py
index e3a7615f40..644cb494dc 100644
--- a/modules/core/test/test_monte_carlo.py
+++ b/modules/core/test/test_monte_carlo.py
@@ -20,9 +20,15 @@ def setup_system(coords, use_container):
     cent = IMP.core.Centroid.setup_particle(IMP.Particle(m), [ps[5], ps[6]])
     hps = IMP.core.HarmonicDistancePairScore(1, 100)
     pairs = ((ps[0], ps[1]), (ps[1], ps[2]), (ps[2], ps[3]), (ps[4], cent))
-    if use_container:
+    if use_container == 'pair':
         lpc = IMP.container.ListPairContainer(m, pairs)
         rs = IMP.container.PairsRestraint(hps, lpc)
+    elif use_container == 'singleton':
+        sps = IMP.core.DistanceToSingletonScore(
+                IMP.core.Harmonic(0, 1), (0, 0, 0))
+        singles = [item for subl in pairs for item in subl]
+        lsc = IMP.container.ListSingletonContainer(m, singles)
+        rs = IMP.container.SingletonsRestraint(sps, lsc)
     else:
         prs = [IMP.core.PairRestraint(m, hps, p) for p in pairs]
         rs = IMP.RestraintSet(m)
@@ -96,8 +102,26 @@ def test_pair_container_moved_same_trajectory(self):
            when using ListPairContainer"""
         bb = IMP.algebra.get_unit_bounding_box_3d()
         coords = [IMP.algebra.get_random_vector_in(bb) for _ in range(10)]
-        m1, mc1 = setup_system(coords, use_container=True)
-        m2, mc2 = setup_system(coords, use_container=True)
+        m1, mc1 = setup_system(coords, use_container='pair')
+        m2, mc2 = setup_system(coords, use_container='pair')
+
+        # Same seeed, same system, so we should get identical trajectories
+        IMP.random_number_generator.seed(99)
+        mc1_score = mc1.optimize(100)
+
+        mc2.set_score_moved(True)
+        IMP.random_number_generator.seed(99)
+        mc2_score = mc2.optimize(100)
+
+        self.assertAlmostEqual(mc1_score, mc2_score, delta=1e-2)
+
+    def test_singleton_container_moved_same_trajectory(self):
+        """MonteCarlo trajectory should not be changed by set_score_moved()
+           when using ListSingletonContainer"""
+        bb = IMP.algebra.get_unit_bounding_box_3d()
+        coords = [IMP.algebra.get_random_vector_in(bb) for _ in range(10)]
+        m1, mc1 = setup_system(coords, use_container='singleton')
+        m2, mc2 = setup_system(coords, use_container='singleton')
 
         # Same seeed, same system, so we should get identical trajectories
         IMP.random_number_generator.seed(99)

From a909d786a37e2c116320f0b0e68fa1401f044c7f Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 27 Sep 2021 16:24:06 -0700
Subject: [PATCH 219/250] Remove unused piecewise_linear_distribution class

---
 ChangeLog.md                                  |   2 +
 .../algebra/test/test_piecewise_linear.cpp    |  85 ----------
 .../include/piecewise_linear_distribution.h   | 153 ------------------
 3 files changed, 2 insertions(+), 238 deletions(-)
 delete mode 100644 modules/algebra/test/test_piecewise_linear.cpp
 delete mode 100644 modules/kernel/include/piecewise_linear_distribution.h

diff --git a/ChangeLog.md b/ChangeLog.md
index faa4246531..88d3752d36 100644
--- a/ChangeLog.md
+++ b/ChangeLog.md
@@ -21,6 +21,8 @@ ChangeLog {#changelog}
 - The orientation-dependent scoring function IMP::score_functor::OrientedSoap
   now caches the system topology and so should be roughly twice as fast in
   typical applications.
+- The unused IMP::piecewise_linear_distribution class has been removed.
+  Use boost::piecewise_linear_distribution instead.
 - The deprecated methods
   IMP::{Singleton,Pair,Triplet,Quad}Predicate::get_value() have been removed.
   Use the get_value_index() methods instead.
diff --git a/modules/algebra/test/test_piecewise_linear.cpp b/modules/algebra/test/test_piecewise_linear.cpp
deleted file mode 100644
index 8609edd360..0000000000
--- a/modules/algebra/test/test_piecewise_linear.cpp
+++ /dev/null
@@ -1,85 +0,0 @@
-/**
- *  \file test_grid.cpp   \brief A class to represent a voxel grid.
- *
- *  Copyright 2007-2021 IMP Inventors. All rights reserved.
- */
-#include <IMP/piecewise_linear_distribution.h>
-#include <IMP/exception.h>
-#include <IMP/types.h>
-#include <IMP/random.h>
-#include <IMP/utility.h>
-#include <IMP/flags.h>
-
-namespace {
-template <class RNG>
-void check_one(RNG rng, double mean, double sigma) {
-  const int num = 1000;
-  IMP::Floats sample(num);
-  for (int i = 0; i < num; ++i) {
-    sample[i] = rng(IMP::random_number_generator);
-  }
-  double nmean = std::accumulate(sample.begin(), sample.end(), 0.0) / num;
-  double ssq = 0;
-  for (unsigned int i = 0; i < sample.size(); ++i) {
-    ssq += IMP::square(sample[i] - nmean);
-  }
-  double ssd = std::sqrt(ssq / num);
-  std::cout << mean << " " << sigma << " " << nmean << " " << ssd << std::endl;
-  if (std::abs(mean - nmean) > .1 * (mean + nmean)) {
-    IMP_THROW("Means don't match: " << mean << " " << nmean,
-              IMP::ValueException);
-  }
-  if (std::abs(sigma - ssd) > .1 * (sigma + ssd)) {
-    IMP_THROW("Stddevs don't match: " << sigma << " " << ssd,
-              IMP::ValueException);
-  }
-}
-
-void check_gaussian() {
-  double s = 3.0;
-  double m = 4.0;
-  IMP::Floats steps;
-  for (unsigned int i = 0; i < 15; ++i) {
-    steps.push_back(.1 * std::pow(1.2, static_cast<double>(i)));
-  }
-  IMP::Floats locs0(1, 0);
-  for (unsigned int i = 0; i < steps.size(); ++i) {
-    locs0.push_back(locs0.back() + steps[i]);
-  }
-  using IMP::operator<<;
-  // std::cout << locs0 << std::endl;
-  IMP::Floats locs(locs0.rbegin(), locs0.rend());
-  for (unsigned int i = 0; i < locs.size(); ++i) {
-    locs[i] = -locs[i];
-  }
-  // std::cout << locs << std::endl;
-  locs.pop_back();
-  locs.insert(locs.end(), locs0.begin(), locs0.end());
-  // std::cout << locs << std::endl;
-  for (unsigned int i = 0; i < locs.size(); ++i) {
-    locs[i] += m;
-  }
-  IMP::Floats vals(locs.size());
-  for (unsigned int i = 0; i < vals.size(); ++i) {
-    vals[i] = 1.0 / std::sqrt(2.0 * 3.1415 * s * s) *
-              std::exp(-IMP::square(locs[i] - m) / (2 * s * s));
-  }
-  IMP::piecewise_linear_distribution<> pld(locs.begin(), locs.end(),
-                                                 vals.begin());
-  check_one(pld, m, s);
-}
-
-void check_triangle() {
-  double locs[] = {0, 1, 2};
-  double weights[] = {0, 1, 0};
-  IMP::piecewise_linear_distribution<> pld(locs, locs + 3, weights);
-  check_one(pld, 1, 1.0 / std::sqrt(6.0));
-}
-}
-
-int main(int argc, char *argv[]) {
-  IMP::setup_from_argv(argc, argv, "Test piecewise linear.");
-  check_triangle();
-  check_gaussian();
-  return 0;
-}
diff --git a/modules/kernel/include/piecewise_linear_distribution.h b/modules/kernel/include/piecewise_linear_distribution.h
deleted file mode 100644
index 97a45e8db4..0000000000
--- a/modules/kernel/include/piecewise_linear_distribution.h
+++ /dev/null
@@ -1,153 +0,0 @@
-/**
- *  \file IMP/piecewise_linear_distribution.h
- *  \brief boost piecewise linear.
- *
- *  Copyright 2007-2021 IMP Inventors. All rights reserved.
- *
- */
-
-#ifndef IMPKERNEL_PIECEWISE_LINEAR_DISTRIBUTION_H
-#define IMPKERNEL_PIECEWISE_LINEAR_DISTRIBUTION_H
-
-#include <IMP/kernel_config.h>
-#include "Vector.h"
-#include <boost/version.hpp>
-#include <boost/random/uniform_real.hpp>
-#include <numeric>
-#include <algorithm>
-#include <cmath>
-#include <iostream>
-#include <iterator>
-#include <stdexcept>
-
-IMPKERNEL_BEGIN_NAMESPACE
-
-//! Draw random nums from a distribution defined as a piecewise linear function.
-/** It models the boost random number generators and is made redundant by the
-    boost::piecewise_linear_distribution in boost 1.47. Currently, it won't
-    use that class if available, but that is just due to lack of
-    boost 1.47 to test on.
- */
-template <class T = double>
-class piecewise_linear_distribution {
-  Vector<T> dividers_;
-  Vector<T> accum_;
-  Vector<T> weights_;
-  mutable boost::uniform_real<> un_;
-  double get_divider(int divider) const { return dividers_[divider]; }
-  double get_accum(int divider) const { return accum_[divider]; }
-  double get_slope(int divider) const {
-    return (weights_[divider + 1] - weights_[divider]) /
-           (dividers_[divider + 1] - dividers_[divider]);
-  }
-  double get_weight(int divider) const { return weights_[divider]; }
-
- public:
-  //! construct a uniform 01
-  piecewise_linear_distribution() : un_(0, 1) {
-    dividers_.push_back(0);
-    dividers_.push_back(1);
-    accum_.push_back(0);
-    accum_.push_back(1);
-    weights_.push_back(1);
-    weights_.push_back(1);
-  }
-  /** Construct the distribution by interpolating between samples
-      at locations[i] with corresponding weight weights[i]. The
-      weight outside of the first and last location is assume to
-      be immediately 0.
-  */
-  template <class LIt, class WIt>
-  piecewise_linear_distribution(LIt locations_begin, LIt locations_end,
-                                WIt weights_begin)
-      : dividers_(locations_begin, locations_end),
-        accum_(std::distance(locations_begin, locations_end)),
-        weights_(std::distance(locations_begin, locations_end)),
-        un_(0, 1) {
-    for (unsigned int i = 0; i < weights_.size(); ++i) {
-      weights_[i] = *weights_begin;
-      ++weights_begin;
-    }
-    accum_[0] = 0;
-    for (unsigned int i = 1; i < accum_.size(); ++i) {
-      double wid = (dividers_[i] - dividers_[i - 1]);
-      accum_[i] = accum_[i - 1] + wid * .5 * (weights_[i - 1] + weights_[i]);
-    }
-    double total = accum_.back();
-#if IMP_HAS_CHECKS >= IMP_INTERNAL
-    for (unsigned int i = 1; i < dividers_.size(); ++i) {
-      if (dividers_[i] <= dividers_[i - 1]) {
-        std::cerr << "Found non-monotonic locations: ";
-        std::copy(locations_begin, locations_end,
-                  std::ostream_iterator<double>(std::cerr, ", "));
-        std::cerr << std::endl;
-        throw std::logic_error("Locations are not strictly increasing");
-      }
-    }
-    // check that the total weight is ~1
-    if (std::abs(total - 1.0) > .05) {
-      std::cerr << "Found weight " << total << std::endl;
-      std::cerr << "Locations: [";
-      std::copy(locations_begin, locations_end,
-                std::ostream_iterator<double>(std::cerr, ", "));
-      std::cerr << "]" << std::endl;
-      std::cerr << "Weights: [";
-      std::copy(weights_.begin(), weights_.end(),
-                std::ostream_iterator<double>(std::cerr, ", "));
-      std::cerr << "]" << std::endl;
-      throw std::logic_error(
-          "The total weight of the distribution is not close to 1");
-    }
-#endif
-    // correct for discretization errors
-    for (unsigned int i = 0; i < accum_.size(); ++i) {
-      accum_[i] /= total;
-    }
-    /*std::cout << "dividers: ";
-    std::copy(dividers_.begin(), dividers_.end(),
-              std::ostream_iterator<double>(std::cout, ", "));
-    std::cout << std::endl << "sums: ";
-    std::copy(accum_.begin(), accum_.end(),
-              std::ostream_iterator<double>(std::cout, ", "));
-    std::cout << std::endl;
-    std::cout << "weights: ";
-    std::copy(weights_.begin(), weights_.end(),
-              std::ostream_iterator<double>(std::cout, ", "));
-              std::cout << std::endl;*/
-  }
-  template <class RNG>
-  double operator()(RNG& rng) const {
-    double rn = un_(rng);
-    typename Vector<T>::const_iterator it =
-        std::upper_bound(accum_.begin() + 1, accum_.end(), rn);
-    if (it == accum_.end()) {
-      std::cerr << "Hit end " << rn << " " << accum_.back() << std::endl;
-      return dividers_.back();
-    } else {
-      int offset = it - accum_.begin() - 1;
-      double pd = get_weight(offset);
-      double ad = get_accum(offset);
-      double sd = get_slope(offset);
-      double leftd = rn - ad;
-      double radix = std::sqrt(pd * pd + 2 * leftd * sd);
-      double xmd;
-      if (sd < 0) {
-        xmd = (-pd + radix) / sd;
-      } else {
-        xmd = (-pd + radix) / (sd);
-      }
-#ifndef NDEBUG
-      if (xmd < 0) {
-        std::cerr << "negative " << std::endl;
-      }
-#endif
-      /*std::cout << rn << " " << pd <<  " " << ad << " " << sd << " "
-        << leftd << " " << xmd << std::endl;*/
-      return xmd + get_divider(offset);
-    }
-  }
-};
-
-IMPKERNEL_END_NAMESPACE
-
-#endif /* IMPKERNEL_PIECEWISE_LINEAR_DISTRIBUTION_H */

From 106d186338c1dd21c495667ad2dca3b25dc7ad18 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 27 Sep 2021 16:29:10 -0700
Subject: [PATCH 220/250] Add missing docs

---
 modules/kernel/include/file.h | 7 ++++---
 1 file changed, 4 insertions(+), 3 deletions(-)

diff --git a/modules/kernel/include/file.h b/modules/kernel/include/file.h
index 9bd92b9c80..bd4eadab50 100644
--- a/modules/kernel/include/file.h
+++ b/modules/kernel/include/file.h
@@ -128,6 +128,7 @@ IMPKERNELEXPORT void set_log_target(TextOutput l);
 IMPKERNELEXPORT TextOutput get_log_target();
 #endif
 
+//! Temporarily set log target
 /** Set the log target to a given value and reset it
     when the object is destroyed. Use this in Python
     to set the target of logs.
@@ -150,11 +151,11 @@ class SetLogTarget : public RAII {
 IMP_VALUES(TextInput, TextInputs);
 IMP_VALUES(TextOutput, TextOutputs);
 
-/** Create a temporary file. The path can be extracted from the TextOutput.
+//! Create a temporary file. The path can be extracted from the TextOutput.
 
-    If suffix is non-empty, there is some small chance of a collision on
+/** If suffix is non-empty, there is some small chance of a collision on
     non-BSD systems as a unique temporary file is first created, and then
-    a file with that suffix appended is created.*/
+    a file with that suffix appended is created. */
 IMPKERNELEXPORT TextOutput create_temporary_file(std::string prefix = "imp_temp",
                                                std::string suffix = "");
 

From cf6c2cab098cbcce23e135e13f1bc60c6e772a9b Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 5 Oct 2021 17:10:33 -0700
Subject: [PATCH 221/250] Add Python 3.10 to Windows .exe installer

---
 ChangeLog.md              | 1 +
 tools/w32/make-package.sh | 9 +++++----
 tools/w32/w32-install.nsi | 2 ++
 3 files changed, 8 insertions(+), 4 deletions(-)

diff --git a/ChangeLog.md b/ChangeLog.md
index 88d3752d36..576633d340 100644
--- a/ChangeLog.md
+++ b/ChangeLog.md
@@ -13,6 +13,7 @@ ChangeLog {#changelog}
 - IMP::pmi now handles MSE (selenomethionine) residues in input structures;
   structure is read for such residues and they are considered equivalent to
   regular MET in the FASTA sequence.
+- The Windows .exe installer now supports Python 3.10.
 - Scoring function evaluation can now be done more efficiently in some cases
   by using information on which particles have moved since the last evaluation.
   This behavior can be turned on (by default it is off) using
diff --git a/tools/w32/make-package.sh b/tools/w32/make-package.sh
index b93e3bcfb3..48a2c222b2 100755
--- a/tools/w32/make-package.sh
+++ b/tools/w32/make-package.sh
@@ -11,7 +11,8 @@
 # make DESTDIR=`pwd`/w32-inst install
 #
 # Where $w32py is the path containing Python headers and libraries.
-# Repeat for all desired Python versions (2.7, 3.6, 3.7, 3.8, and 3.9 for us)
+# Repeat for all desired Python versions (2.7, 3.6, 3.7, 3.8, 3.9, and 3.10
+# for us)
 #
 # Then run (still in the binary directory)
 # <source_dir>/tools/w32/make-package.sh <version> <bits>
@@ -79,7 +80,7 @@ for app in ${ROOT}/bin/*; do
 done
 
 # Make Python version-specific directories for extensions (.pyd)
-PYVERS="2.7 3.6 3.7 3.8 3.9"
+PYVERS="2.7 3.6 3.7 3.8 3.9 3.10"
 for PYVER in ${PYVERS}; do
   mkdir ${ROOT}/python/python${PYVER} || exit 1
   mkdir ${ROOT}/python/python${PYVER}/_ihm_pyd || exit 1
@@ -107,7 +108,7 @@ rm -rf ${ROOT}/bin/imp_example_app.exe \
 rm -rf `find ${ROOT} -name .svn`
 
 if [ "${BITS}" = "32" ]; then
-  PYVERS="27 36 37 38 39"
+  PYVERS="27 36 37 38 39 310"
   MAKENSIS="makensis"
   # Add redist MSVC runtime DLLs
   DLLSRC=/usr/lib/w32comp/windows/system
@@ -134,7 +135,7 @@ if [ "${BITS}" = "32" ]; then
      ${DLLSRC}/opencv_ffmpeg220.dll \
      ${DLLSRC}/opencv_imgproc220.dll ${ROOT}/bin || exit 1
 else
-  PYVERS="27 36 37 38 39"
+  PYVERS="27 36 37 38 39 310"
   MAKENSIS="makensis -DIMP_64BIT"
   # Add redist MSVC runtime DLLs
   DLLSRC=/usr/lib/w64comp/windows/system32
diff --git a/tools/w32/w32-install.nsi b/tools/w32/w32-install.nsi
index 222ee412db..a95de830ad 100644
--- a/tools/w32/w32-install.nsi
+++ b/tools/w32/w32-install.nsi
@@ -86,6 +86,7 @@ Section ""
   WriteRegStr HKLM "Software\Python\PythonCore\3.7${PYTHON_ARCH_SUFFIX}\PythonPath\${PRODVER}" "" "$INSTDIR\python"
   WriteRegStr HKLM "Software\Python\PythonCore\3.8${PYTHON_ARCH_SUFFIX}\PythonPath\${PRODVER}" "" "$INSTDIR\python"
   WriteRegStr HKLM "Software\Python\PythonCore\3.9${PYTHON_ARCH_SUFFIX}\PythonPath\${PRODVER}" "" "$INSTDIR\python"
+  WriteRegStr HKLM "Software\Python\PythonCore\3.10${PYTHON_ARCH_SUFFIX}\PythonPath\${PRODVER}" "" "$INSTDIR\python"
 
   !insertmacro MUI_STARTMENU_WRITE_BEGIN ${PRODVER}
     CreateDirectory "$SMPROGRAMS\$STARTMENU_FOLDER"
@@ -119,6 +120,7 @@ Section "Uninstall"
   DeleteRegKey HKLM "Software\Python\PythonCore\3.7${PYTHON_ARCH_SUFFIX}\PythonPath\${PRODVER}"
   DeleteRegKey HKLM "Software\Python\PythonCore\3.8${PYTHON_ARCH_SUFFIX}\PythonPath\${PRODVER}"
   DeleteRegKey HKLM "Software\Python\PythonCore\3.9${PYTHON_ARCH_SUFFIX}\PythonPath\${PRODVER}"
+  DeleteRegKey HKLM "Software\Python\PythonCore\3.10${PYTHON_ARCH_SUFFIX}\PythonPath\${PRODVER}"
  
 SectionEnd
 

From 38bb99013b9b5d9634a6621d3e1b3820ae07e002 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 11 Oct 2021 14:21:45 -0700
Subject: [PATCH 222/250] Squashed 'modules/core/dependency/python-ihm/'
 changes from 5d4e0173d2..e3f4270256

e3f4270256 Update Mac test environment to Python 3.10
8b63d6e60a Fix issue noted by flake8
299e27d670 Handle non-ASCII characters in PDB-Dev files
7598f38d7b Accept any Unicode word character for line items
8e6e4c4614 Test with Python 3.10
deba0747e4 Handle reference sequence between empty/unknown
cf3c28f0c5 Give examples for read/write of mmCIF/BCIF files

git-subtree-dir: modules/core/dependency/python-ihm
git-subtree-split: e3f42702569df6649d5c4a2086c4bafbf16ac7eb
---
 .../python-ihm/.github/workflows/testpy.yml    |  4 ++--
 .../python-ihm/examples/validate_pdb_dev.py    | 18 ++++++++++++++++--
 .../dependency/python-ihm/ihm/dictionary.py    |  8 ++++++--
 .../core/dependency/python-ihm/ihm/dumper.py   | 13 +++++++++++++
 .../core/dependency/python-ihm/ihm/reader.py   | 17 +++++++++++++++++
 .../dependency/python-ihm/test/test_dumper.py  | 14 +++++++++++++-
 6 files changed, 67 insertions(+), 7 deletions(-)

diff --git a/modules/core/dependency/python-ihm/.github/workflows/testpy.yml b/modules/core/dependency/python-ihm/.github/workflows/testpy.yml
index acb25c4349..ed7a840670 100644
--- a/modules/core/dependency/python-ihm/.github/workflows/testpy.yml
+++ b/modules/core/dependency/python-ihm/.github/workflows/testpy.yml
@@ -9,10 +9,10 @@ jobs:
       fail-fast: false
       matrix:
         os: [ubuntu-latest]
-        python-version: [2.7, 3.6, 3.7, 3.8, 3.9]
+        python-version: ['2.7', '3.6', '3.7', '3.8', '3.9', '3.10']
         include:
         - os: macos-latest
-          python-version: 3.9
+          python-version: '3.10'
     runs-on: ${{ matrix.os }}
 
     steps:
diff --git a/modules/core/dependency/python-ihm/examples/validate_pdb_dev.py b/modules/core/dependency/python-ihm/examples/validate_pdb_dev.py
index fb42dd8107..77aecca7d0 100644
--- a/modules/core/dependency/python-ihm/examples/validate_pdb_dev.py
+++ b/modules/core/dependency/python-ihm/examples/validate_pdb_dev.py
@@ -3,6 +3,8 @@
 # the PDBx and IHM dictionaries for compliance. This validator can be used
 # to perform basic integrity checking against any mmCIF dictionary.
 
+import io
+import sys
 import ihm.reader
 import ihm.dictionary
 try:
@@ -32,6 +34,18 @@
 # A correct structure here should result in no output; an invalid structure
 # will result in a ValidatorError Python exception.
 # Here, a structure from PDB-Dev (which should be valid) is used.
-fh = urllib2.urlopen('https://pdb-dev.wwpdb.org/cif/PDBDEV_00000001.cif')
+acc = 'PDBDEV_00000001'
+cif = urllib2.urlopen('https://pdb-dev.wwpdb.org/cif/%s.cif' % acc).read()
+
+# The encoding for mmCIF files isn't strictly defined, so first try UTF-8
+# and if that fails, strip out any non-ASCII characters. This ensures that
+# we handle accented characters in string fields correctly.
+if sys.version_info[0] >= 3:
+    try:
+        fh = io.StringIO(cif.decode('utf-8'))
+    except UnicodeDecodeError:
+        fh = io.StringIO(cif.decode('ascii', errors='ignore'))
+else:
+    fh = io.BytesIO(cif.decode('ascii', errors='ignore').encode('ascii'))
+
 pdbx_ihm.validate(fh)
-fh.close()
diff --git a/modules/core/dependency/python-ihm/ihm/dictionary.py b/modules/core/dependency/python-ihm/ihm/dictionary.py
index ef3532b85b..d2ac378688 100644
--- a/modules/core/dependency/python-ihm/ihm/dictionary.py
+++ b/modules/core/dependency/python-ihm/ihm/dictionary.py
@@ -234,11 +234,15 @@ class ItemType(object):
        :class:`Keyword`. For example, integer values can only contain
        the digits 0-9 with an optional +/- prefix."""
     def __init__(self, name, primitive_code, construct):
-        self.name, self.construct = name, construct
+        self.name = name
+        # The dictionary only defines matches against ASCII characters.
+        # Extend this to match any Unicode "word" character so we don't
+        # fail to validate as soon as we see an accented character.
+        self.construct = construct.replace('A-Za-z0-9', r'\w')
         self.primitive_code = primitive_code
         # Ensure that regex matches the entire value
         try:
-            self.regex = re.compile(construct + '$')
+            self.regex = re.compile(self.construct + '$')
         except re.error:
             # Some CIF regexes aren't valid Python regexes; skip these
             self.regex = _DoNothingRegEx()
diff --git a/modules/core/dependency/python-ihm/ihm/dumper.py b/modules/core/dependency/python-ihm/ihm/dumper.py
index 26bb304b56..0225349bd6 100644
--- a/modules/core/dependency/python-ihm/ihm/dumper.py
+++ b/modules/core/dependency/python-ihm/ihm/dumper.py
@@ -368,6 +368,8 @@ def finalize(self, system):
 
     def _get_sequence(self, reference):
         """Get the sequence string"""
+        if reference.sequence in (None, ihm.unknown):
+            return reference.sequence
         # Split into lines to get tidier CIF output
         return "\n".join(_prettyprint_seq(reference.sequence, 70))
 
@@ -403,6 +405,9 @@ def _check_reference_sequence(self, entity, ref):
 
     def _check_alignment(self, entity, ref, align):
         """Make sure that an alignment makes sense"""
+        if ref.sequence in (None, ihm.unknown):
+            # We just have to trust the range if the ref sequence is blank
+            return
         entseq = self._check_seq_dif(entity, ref, align)
 
         def check_rng(rng, seq, rngstr, obj):
@@ -3103,6 +3108,14 @@ def write(fh, systems, format='mmCIF', dumpers=[]):
        BinaryCIF format. The BinaryCIF writer needs the msgpack Python
        module to function.
 
+       The file handle should be opened in binary mode for BinaryCIF files.
+       For mmCIF, text mode should be used, usually with UTF-8 encoding, e.g.::
+
+           with open('output.cif', 'w', encoding='utf-8') as fh:
+               ihm.dumper.write(fh, systems)
+           with open('output.bcif', 'wb') as fh:
+               ihm.dumper.write(fh, systems, format='BCIF')
+
        :param file fh: The file handle to write to.
        :param list systems: The list of :class:`ihm.System` objects to write.
        :param str format: The format of the file. This can be 'mmCIF' (the
diff --git a/modules/core/dependency/python-ihm/ihm/reader.py b/modules/core/dependency/python-ihm/ihm/reader.py
index 60be13654f..1346140f03 100644
--- a/modules/core/dependency/python-ihm/ihm/reader.py
+++ b/modules/core/dependency/python-ihm/ihm/reader.py
@@ -3055,6 +3055,23 @@ def read(fh, model_class=ihm.model.Model, format='mmCIF', handlers=[],
        so is used if built. The BinaryCIF reader needs the msgpack Python
        module to function.
 
+       The file handle should be opened in text mode for mmCIF files.
+       Traditionally, mmCIF files used ASCII encoding. More and more
+       recent files are UTF-8 encoded instead, but some use other encodings
+       such as latin-1. To handle most current files use something like::
+
+           try:
+               with open('input.cif', encoding='utf-8') as fh:
+                   systems = ihm.reader.read(fh)
+           except UnicodeDecodeError:
+               with open('input.cif', encoding='latin-1') as fh:
+                   systems = ihm.reader.read(fh)
+
+       The file handle should be opened in binary mode for BinaryCIF files::
+
+           with open('input.bcif', 'rb') as fh:
+               systems = ihm.reader.read(fh, format='BCIF')
+
        :param file fh: The file handle to read from. (For BinaryCIF files,
               the file should be opened in binary mode. For mmCIF files,
               files opened in binary mode with Python 3 will be treated as
diff --git a/modules/core/dependency/python-ihm/test/test_dumper.py b/modules/core/dependency/python-ihm/test/test_dumper.py
index 1bae4f69de..1fff56c15c 100644
--- a/modules/core/dependency/python-ihm/test/test_dumper.py
+++ b/modules/core/dependency/python-ihm/test/test_dumper.py
@@ -469,7 +469,15 @@ def test_struct_ref(self):
             db_begin=4, db_end=5, entity_begin=2, entity_end=3))
         r2.alignments.append(ihm.reference.Alignment(
             db_begin=9, db_end=9, entity_begin=4, entity_end=4))
-        system.entities.append(ihm.Entity('LSPT', references=[r1, r2]))
+        r3 = ihm.reference.UniProtSequence(
+            db_code='testcode2', accession='testacc2', sequence=None)
+        r3.alignments.append(ihm.reference.Alignment(
+            db_begin=4, db_end=5, entity_begin=2, entity_end=3))
+        r4 = ihm.reference.UniProtSequence(
+            db_code='testcode3', accession='testacc3', sequence=ihm.unknown)
+        r4.alignments.append(ihm.reference.Alignment(
+            db_begin=4, db_end=5, entity_begin=2, entity_end=3))
+        system.entities.append(ihm.Entity('LSPT', references=[r1, r2, r3, r4]))
         dumper = ihm.dumper._EntityDumper()
         dumper.finalize(system)  # Assign entity IDs
 
@@ -488,6 +496,8 @@ def test_struct_ref(self):
 _struct_ref.details
 1 1 UNP NUP84_YEAST P52891 3 MELWPTYQT 'test sequence'
 2 1 UNP testcode testacc 4 MELSPTYQT test2
+3 1 UNP testcode2 testacc2 4 . .
+4 1 UNP testcode3 testacc3 4 ? .
 #
 #
 loop_
@@ -500,6 +510,8 @@ def test_struct_ref(self):
 1 1 1 4 3 6
 2 2 2 3 4 5
 3 2 4 4 9 9
+4 3 2 3 4 5
+5 4 2 3 4 5
 #
 #
 loop_

From 6fabcfba10f474b88a46838007c408414d8e2fd5 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 11 Oct 2021 14:21:53 -0700
Subject: [PATCH 223/250] Squashed 'modules/pmi/' changes from
 8126af942a..8ce9fdbbe2

8ce9fdbbe2 Get MutableSet from collections.abc if possible

git-subtree-dir: modules/pmi
git-subtree-split: 8ce9fdbbe27690a7c4da905d1a08343bfcb68791
---
 modules/pmi/pyext/src/tools.py | 7 +++++--
 1 file changed, 5 insertions(+), 2 deletions(-)

diff --git a/modules/pmi/pyext/src/tools.py b/modules/pmi/pyext/src/tools.py
index 3b7fef3326..011ea9f068 100644
--- a/modules/pmi/pyext/src/tools.py
+++ b/modules/pmi/pyext/src/tools.py
@@ -10,7 +10,10 @@
 import IMP.isd
 import IMP.pmi
 import IMP.pmi.topology
-import collections
+try:
+    from collections.abc import MutableSet  # needs Python 3.3 or later
+except ImportError:
+    from collections import MutableSet
 import itertools
 import math
 import sys
@@ -824,7 +827,7 @@ def triplet(self, rgb, lettercase=None):
 
 
 # -------------- Collections --------------- #
-class OrderedSet(collections.MutableSet):
+class OrderedSet(MutableSet):
 
     def __init__(self, iterable=None):
         self.end = end = []

From 9ff3ae83c0bad6ae3f164077d194cad94b49f91d Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 11 Oct 2021 14:22:41 -0700
Subject: [PATCH 224/250] Get latest PMI1

---
 modules/pmi1 | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/pmi1 b/modules/pmi1
index 241dfe28e2..9442db2128 160000
--- a/modules/pmi1
+++ b/modules/pmi1
@@ -1 +1 @@
-Subproject commit 241dfe28e2d89e18ebdf72c42c6fb7de347fa6f5
+Subproject commit 9442db2128f27e8a4112514997235ab2139dcaaf

From 4f5c43ae1ab9463846c4ed6315f7ffb6f4ee0050 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 12 Oct 2021 12:57:07 -0700
Subject: [PATCH 225/250] Squashed 'modules/rmf/dependency/RMF/' changes from
 f18213a65c..4895bff9d2

4895bff9d2 Squashed 'tools/dev_tools/' changes from e5d19974..8e5ec80a

git-subtree-dir: modules/rmf/dependency/RMF
git-subtree-split: 4895bff9d22381882ac38180bdd025e22bdc7c00
---
 .../rmf/dependency/RMF/tools/dev_tools/cleanup_code.py   | 9 ++++++---
 1 file changed, 6 insertions(+), 3 deletions(-)

diff --git a/modules/rmf/dependency/RMF/tools/dev_tools/cleanup_code.py b/modules/rmf/dependency/RMF/tools/dev_tools/cleanup_code.py
index 4d506b538e..dd664d47c7 100755
--- a/modules/rmf/dependency/RMF/tools/dev_tools/cleanup_code.py
+++ b/modules/rmf/dependency/RMF/tools/dev_tools/cleanup_code.py
@@ -14,7 +14,10 @@
 except ImportError:
     from Queue import Queue  # python2
 from threading import Thread
-import distutils.spawn
+try:
+    from shutil import which  # python3.3 or later
+except ImportError:
+    from distutils.spawn import find_executable as which
 
 sys.path.append(os.path.split(sys.argv[0]))
 import python_tools
@@ -60,13 +63,13 @@
 if options.clang_format == "auto":
     options.clang_format = None
     for name in ["clang-format-3.4", "clang-format"]:
-        if distutils.spawn.find_executable(name):
+        if which(name):
             options.clang_format = name
             break
 if options.autopep8 == "auto":
     options.autopep8 = None
     for name in ["autopep8"]:
-        if distutils.spawn.find_executable(name):
+        if which(name):
             options.autopep8 = name
             break
 

From e1d668e0d80fca0fba4d4d30a1b182defca2f50f Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 13 Oct 2021 09:53:24 -0700
Subject: [PATCH 226/250] Ignore new unittest methods from Python 3.10

Python 3.10 introduces the unittest.TestCase.assertNoLogs
method, so we need to exclude that from our checks of
TestCase and ApplicationTestCase.
---
 modules/test/test/standards_exceptions | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/test/test/standards_exceptions b/modules/test/test/standards_exceptions
index 8bdd002656..72bde5c5e5 100644
--- a/modules/test/test/standards_exceptions
+++ b/modules/test/test/standards_exceptions
@@ -15,7 +15,7 @@ standard_unittest_attributes = [
    'failUnlessAlmostEqual', 'failUnlessEqual', 'failUnlessRaises', 'id',
    'setUp', 'setUpClass', 'shortDescription', 'skipTest', 'tearDown',
    'tearDownClass', 'assertLogs', 'subTest', 'addClassCleanup',
-   'doClassCleanups' ]
+   'doClassCleanups', 'assertNoLogs' ]
 exceptions = ["TestCase." + x for x in standard_unittest_attributes] \
            + ["ApplicationTestCase." + x for x in standard_unittest_attributes]
 

From 6100cc8943de56944bdb45ac4efef33e145912b9 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 20 Oct 2021 16:21:52 -0700
Subject: [PATCH 227/250] Link to journal with general recommendations

---
 doc/manual/biosystem.md | 10 +++++++++-
 1 file changed, 9 insertions(+), 1 deletion(-)

diff --git a/doc/manual/biosystem.md b/doc/manual/biosystem.md
index 71d3b8d9e8..dff7a303d2 100644
--- a/doc/manual/biosystem.md
+++ b/doc/manual/biosystem.md
@@ -20,7 +20,9 @@ recommend that you manage your application as a GitHub repository so that
 
 We recommend the following contents for your repository (see the
 [Nup84 repository](https://github.com/integrativemodeling/nup84)
-for an example):
+for an example, or
+[this journal article](https://doi.org/10.1002/1873-3468.14067) for more
+general recommendations):
 
  - subdirectories containing
    - your modeling protocol (generally one or more Python scripts).
@@ -80,3 +82,9 @@ for an example):
      - `parallel`: if set, the tests will be run in an MPI environment, with
        the given number of cores available (by default, a serial environment
        is used)
+
+Publication or deposition generally require a [DOI](https://www.doi.org/).
+We generally do this by uploading a snapshot of the GitHub repository to
+[Zenodo](https://zenodo.org), alongside other input/output datasets that
+aren't deposited in a specialist repository such as
+[PDB](https://www.wwpdb.org/), [EMDB](https://www.ebi.ac.uk/emdb/) etc.

From 8497d8e20dae657ae36278ac7a7cc3746e1d3532 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 1 Nov 2021 10:57:12 -0700
Subject: [PATCH 228/250] Squashed 'modules/core/dependency/python-ihm/'
 changes from e3f4270256..896a839926

896a839926 Update for 0.23 release
e9d5879186 Fix issue noted by flake8
0576ef6ba7 Use partial sequence for struct_ref
c3ceaccfa5 Match removal of assembly desc for protocol
07dc6e590d Do not give assembly description for protocol
01492d0404 Update for 0.22 release

git-subtree-dir: modules/core/dependency/python-ihm
git-subtree-split: 896a83992687a6831dc0f175754c555c9fb6a69b
---
 modules/core/dependency/python-ihm/ChangeLog.rst | 10 ++++++++--
 modules/core/dependency/python-ihm/MANIFEST.in   |  2 +-
 .../core/dependency/python-ihm/ihm/__init__.py   |  2 +-
 modules/core/dependency/python-ihm/ihm/dumper.py |  9 ++++++---
 modules/core/dependency/python-ihm/ihm/reader.py | 16 +++++++++++++++-
 modules/core/dependency/python-ihm/setup.py      |  2 +-
 .../dependency/python-ihm/test/test_dumper.py    | 11 +++++------
 .../dependency/python-ihm/test/test_examples.py  |  2 +-
 .../dependency/python-ihm/test/test_reader.py    |  4 ++--
 9 files changed, 40 insertions(+), 18 deletions(-)

diff --git a/modules/core/dependency/python-ihm/ChangeLog.rst b/modules/core/dependency/python-ihm/ChangeLog.rst
index 791dc48815..914e80a2b4 100644
--- a/modules/core/dependency/python-ihm/ChangeLog.rst
+++ b/modules/core/dependency/python-ihm/ChangeLog.rst
@@ -1,5 +1,11 @@
-HEAD
-====
+0.23 - 2021-11-01
+=================
+  - Bugfix: _struct_ref.pdbx_seq_one_letter_code is now treated as the subset
+    of the reference (e.g. UniProt) sequence that overlaps with our Entities,
+    not the entire sequence (#64).
+
+0.22 - 2021-10-22
+=================
   - The :class:`ihm.Software` class now allows a citation for the software
     to be provided.
   - A new :mod:`ihm.citations` module contains citations for some packages
diff --git a/modules/core/dependency/python-ihm/MANIFEST.in b/modules/core/dependency/python-ihm/MANIFEST.in
index 4dcc6e81c7..8bf2de5a83 100644
--- a/modules/core/dependency/python-ihm/MANIFEST.in
+++ b/modules/core/dependency/python-ihm/MANIFEST.in
@@ -4,4 +4,4 @@ include examples/*
 include util/make-mmcif.py
 include src/ihm_format.h
 include src/ihm_format.i
-include src/ihm_format_wrap_0.21.c
+include src/ihm_format_wrap_0.23.c
diff --git a/modules/core/dependency/python-ihm/ihm/__init__.py b/modules/core/dependency/python-ihm/ihm/__init__.py
index 1a3c741e13..11aec88a6c 100644
--- a/modules/core/dependency/python-ihm/ihm/__init__.py
+++ b/modules/core/dependency/python-ihm/ihm/__init__.py
@@ -19,7 +19,7 @@
     import urllib2
 import json
 
-__version__ = '0.21'
+__version__ = '0.23'
 
 
 class __UnknownValue(object):
diff --git a/modules/core/dependency/python-ihm/ihm/dumper.py b/modules/core/dependency/python-ihm/ihm/dumper.py
index 0225349bd6..8b3f2cfe69 100644
--- a/modules/core/dependency/python-ihm/ihm/dumper.py
+++ b/modules/core/dependency/python-ihm/ihm/dumper.py
@@ -370,8 +370,13 @@ def _get_sequence(self, reference):
         """Get the sequence string"""
         if reference.sequence in (None, ihm.unknown):
             return reference.sequence
+        # We only want the subset of the sequence that overlaps with
+        # our entities
+        db_begin = min(a.db_begin for a in reference._get_alignments())
+        db_end = max(a.db_end for a in reference._get_alignments())
         # Split into lines to get tidier CIF output
-        return "\n".join(_prettyprint_seq(reference.sequence, 70))
+        return "\n".join(_prettyprint_seq(
+            reference.sequence[db_begin - 1:db_end], 70))
 
     def _check_seq_dif(self, entity, ref, align):
         """Check all SeqDif objects for the Entity sequence. Return the mutated
@@ -1191,7 +1196,6 @@ def dump_details(self, system, writer):
         with writer.loop("_ihm_modeling_protocol_details",
                          ["id", "protocol_id", "step_id",
                           "struct_assembly_id", "dataset_group_id",
-                          "struct_assembly_description",
                           "step_name", "step_method", "num_models_begin",
                           "num_models_end", "multi_scale_flag",
                           "multi_state_flag", "ordered_flag",
@@ -1205,7 +1209,6 @@ def dump_details(self, system, writer):
                         struct_assembly_id=s.assembly._id,
                         dataset_group_id=s.dataset_group._id
                         if s.dataset_group else None,
-                        struct_assembly_description=s.assembly.description,
                         step_name=s.name, step_method=s.method,
                         num_models_begin=s.num_models_begin,
                         num_models_end=s.num_models_end,
diff --git a/modules/core/dependency/python-ihm/ihm/reader.py b/modules/core/dependency/python-ihm/ihm/reader.py
index 1346140f03..c666988074 100644
--- a/modules/core/dependency/python-ihm/ihm/reader.py
+++ b/modules/core/dependency/python-ihm/ihm/reader.py
@@ -1063,9 +1063,23 @@ def __call__(self, id, entity_id, db_name, db_code, pdbx_db_accession,
         self.copy_if_present(
             ref, locals(), keys=('db_name', 'db_code', 'details'),
             mapkeys={'pdbx_db_accession': 'accession',
-                     'pdbx_seq_one_letter_code': 'sequence'})
+                     'pdbx_seq_one_letter_code': '_partial_sequence'})
         e.references.append(ref)
 
+    def finalize(self):
+        # The mmCIF file only contains the subset of the sequence that
+        # overlaps with our entities, but we need the full sequence. Pad it
+        # out with gaps if necessary so that indexing works correctly.
+        for e in self.system.entities:
+            for r in e.references:
+                if hasattr(r, '_partial_sequence'):
+                    if r._partial_sequence in (None, ihm.unknown):
+                        r.sequence = r._partial_sequence
+                    else:
+                        db_begin = min(a.db_begin for a in r._get_alignments())
+                        r.sequence = '-' * (db_begin - 1) + r._partial_sequence
+                    del r._partial_sequence
+
 
 class _StructRefSeqHandler(Handler):
     category = '_struct_ref_seq'
diff --git a/modules/core/dependency/python-ihm/setup.py b/modules/core/dependency/python-ihm/setup.py
index 4e37cd7fda..a15440593c 100755
--- a/modules/core/dependency/python-ihm/setup.py
+++ b/modules/core/dependency/python-ihm/setup.py
@@ -7,7 +7,7 @@
 import sys
 import os
 
-VERSION = "0.21"
+VERSION = "0.23"
 
 copy_args = sys.argv[1:]
 
diff --git a/modules/core/dependency/python-ihm/test/test_dumper.py b/modules/core/dependency/python-ihm/test/test_dumper.py
index 1fff56c15c..7e55d6d91a 100644
--- a/modules/core/dependency/python-ihm/test/test_dumper.py
+++ b/modules/core/dependency/python-ihm/test/test_dumper.py
@@ -494,8 +494,8 @@ def test_struct_ref(self):
 _struct_ref.pdbx_align_begin
 _struct_ref.pdbx_seq_one_letter_code
 _struct_ref.details
-1 1 UNP NUP84_YEAST P52891 3 MELWPTYQT 'test sequence'
-2 1 UNP testcode testacc 4 MELSPTYQT test2
+1 1 UNP NUP84_YEAST P52891 3 LWPTYQT 'test sequence'
+2 1 UNP testcode testacc 4 SPTYQT test2
 3 1 UNP testcode2 testacc2 4 . .
 4 1 UNP testcode3 testacc3 4 ? .
 #
@@ -1618,7 +1618,6 @@ class MockObject(object):
 _ihm_modeling_protocol_details.step_id
 _ihm_modeling_protocol_details.struct_assembly_id
 _ihm_modeling_protocol_details.dataset_group_id
-_ihm_modeling_protocol_details.struct_assembly_description
 _ihm_modeling_protocol_details.step_name
 _ihm_modeling_protocol_details.step_method
 _ihm_modeling_protocol_details.num_models_begin
@@ -1629,9 +1628,9 @@ class MockObject(object):
 _ihm_modeling_protocol_details.software_id
 _ihm_modeling_protocol_details.script_file_id
 _ihm_modeling_protocol_details.description
-1 1 1 42 99 foo s1 'Monte Carlo' 0 500 YES NO NO . . .
-2 1 2 42 99 foo . 'Replica exchange' 500 2000 YES NO NO . . .
-3 2 1 42 101 foo . 'Replica exchange' 2000 1000 YES NO NO 80 90 'test step'
+1 1 1 42 99 s1 'Monte Carlo' 0 500 YES NO NO . . .
+2 1 2 42 99 . 'Replica exchange' 500 2000 YES NO NO . . .
+3 2 1 42 101 . 'Replica exchange' 2000 1000 YES NO NO 80 90 'test step'
 #
 """)
 
diff --git a/modules/core/dependency/python-ihm/test/test_examples.py b/modules/core/dependency/python-ihm/test/test_examples.py
index 38270e02b0..696530535d 100644
--- a/modules/core/dependency/python-ihm/test/test_examples.py
+++ b/modules/core/dependency/python-ihm/test/test_examples.py
@@ -39,7 +39,7 @@ def test_simple_docking_example(self):
             # can read it
             with open(os.path.join(tmpdir, 'output.cif')) as fh:
                 contents = fh.readlines()
-            self.assertEqual(len(contents), 314)
+            self.assertEqual(len(contents), 312)
             with open(os.path.join(tmpdir, 'output.cif')) as fh:
                 s, = ihm.reader.read(fh)
 
diff --git a/modules/core/dependency/python-ihm/test/test_reader.py b/modules/core/dependency/python-ihm/test/test_reader.py
index f05cc20144..3a10acc0bd 100644
--- a/modules/core/dependency/python-ihm/test/test_reader.py
+++ b/modules/core/dependency/python-ihm/test/test_reader.py
@@ -635,7 +635,7 @@ def test_struct_ref_handler(self):
 _struct_ref.pdbx_seq_one_letter_code
 _struct_ref.details
 1 1 UNP NUP84_YEAST P52891 3
-;MELSP
+;LSP
 TYQT
 ;
 'test sequence'
@@ -677,7 +677,7 @@ def test_struct_ref_handler(self):
                 self.assertEqual(r1.db_name, 'UNP')
                 self.assertEqual(r1.db_code, 'NUP84_YEAST')
                 self.assertEqual(r1.accession, 'P52891')
-                self.assertEqual(r1.sequence, 'MELSPTYQT')
+                self.assertEqual(r1.sequence, '--LSPTYQT')
                 self.assertEqual(r1.details, 'test sequence')
                 self.assertIsNone(r3.sequence)
                 self.assertEqual(r4.sequence, ihm.unknown)

From 032e59187180c7725080be372126ef35a8b9f5a7 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 3 Nov 2021 11:13:52 -0700
Subject: [PATCH 229/250] Update for latest python-ihm

python-ihm no longer adds the name of the
assembly to the _ihm_modeling_protocol_details
table, as this is redundant (the assembly ID
is already specified).
---
 modules/mmcif/test/test_dumper.py | 8 +++-----
 1 file changed, 3 insertions(+), 5 deletions(-)

diff --git a/modules/mmcif/test/test_dumper.py b/modules/mmcif/test/test_dumper.py
index ddb980e6ba..73ace1cc35 100644
--- a/modules/mmcif/test/test_dumper.py
+++ b/modules/mmcif/test/test_dumper.py
@@ -496,7 +496,6 @@ def test_modeling_protocol(self):
 _ihm_modeling_protocol_details.step_id
 _ihm_modeling_protocol_details.struct_assembly_id
 _ihm_modeling_protocol_details.dataset_group_id
-_ihm_modeling_protocol_details.struct_assembly_description
 _ihm_modeling_protocol_details.step_name
 _ihm_modeling_protocol_details.step_method
 _ihm_modeling_protocol_details.num_models_begin
@@ -507,10 +506,9 @@ def test_modeling_protocol(self):
 _ihm_modeling_protocol_details.software_id
 _ihm_modeling_protocol_details.script_file_id
 _ihm_modeling_protocol_details.description
-1 1 1 2 . 'All components modeled by IMP' Sampling 'Monte Carlo' 0 500 YES NO NO
-. . .
-2 2 1 2 . 'All components modeled by IMP' Sampling
-'Replica exchange Molecular Dynamics' 400 2000 YES NO NO . . .
+1 1 1 2 . Sampling 'Monte Carlo' 0 500 YES NO NO . . .
+2 2 1 2 . Sampling 'Replica exchange Molecular Dynamics' 400 2000 YES NO NO . .
+.
 #
 """)
 

From 3ac44bf51e95b8a9062e9b8238937f4a8509ce19 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 3 Nov 2021 11:20:56 -0700
Subject: [PATCH 230/250] Squashed 'modules/pmi/' changes from
 8ce9fdbbe2..3e189d14a8

3e189d14a8 Update for latest python-ihm

git-subtree-dir: modules/pmi
git-subtree-split: 3e189d14a874bf60cd925353be145dd5030c4b8f
---
 modules/pmi/test/test_mmcif.py | 7 ++-----
 1 file changed, 2 insertions(+), 5 deletions(-)

diff --git a/modules/pmi/test/test_mmcif.py b/modules/pmi/test/test_mmcif.py
index 9bd92311a8..357fdc08cb 100644
--- a/modules/pmi/test/test_mmcif.py
+++ b/modules/pmi/test/test_mmcif.py
@@ -774,7 +774,6 @@ def test_protocol_dumper(self):
 _ihm_modeling_protocol_details.step_id
 _ihm_modeling_protocol_details.struct_assembly_id
 _ihm_modeling_protocol_details.dataset_group_id
-_ihm_modeling_protocol_details.struct_assembly_description
 _ihm_modeling_protocol_details.step_name
 _ihm_modeling_protocol_details.step_method
 _ihm_modeling_protocol_details.num_models_begin
@@ -785,10 +784,8 @@ def test_protocol_dumper(self):
 _ihm_modeling_protocol_details.software_id
 _ihm_modeling_protocol_details.script_file_id
 _ihm_modeling_protocol_details.description
-1 1 1 2 1 'All components modeled by IMP in state State_0' Sampling
-'Replica exchange monte carlo' 0 1000 YES NO NO 1 . .
-2 1 2 2 1 'All components modeled by IMP in state State_0' Sampling
-'Replica exchange monte carlo' 1000 1000 YES NO NO 1 . .
+1 1 1 2 1 Sampling 'Replica exchange monte carlo' 0 1000 YES NO NO 1 . .
+2 1 2 2 1 Sampling 'Replica exchange monte carlo' 1000 1000 YES NO NO 1 . .
 #
 """)
 

From 47ab5f69c5279e2047003fb7fbfe5e4ddf09c6e2 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 3 Nov 2021 11:21:22 -0700
Subject: [PATCH 231/250] Get latest PMI1

---
 modules/pmi1 | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/pmi1 b/modules/pmi1
index 9442db2128..f096c7c924 160000
--- a/modules/pmi1
+++ b/modules/pmi1
@@ -1 +1 @@
-Subproject commit 9442db2128f27e8a4112514997235ab2139dcaaf
+Subproject commit f096c7c924b8f1bdee0984c991e60a6f45425e4f

From 26ca2c5dda02eb91d5279099e1514db4b3fe7eea Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 9 Nov 2021 18:54:19 -0800
Subject: [PATCH 232/250] Use full path to header

Use full path to IMP/macros.h rather than a relative
one, to help the build system to find the header.
---
 modules/atom/include/Copy.h | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/atom/include/Copy.h b/modules/atom/include/Copy.h
index de85f0b565..3c93b2f0c6 100644
--- a/modules/atom/include/Copy.h
+++ b/modules/atom/include/Copy.h
@@ -10,7 +10,7 @@
 #define IMPATOM_COPY_H
 
 #include <IMP/atom/atom_config.h>
-#include "../macros.h"
+#include <IMP/macros.h>
 
 #include "Molecule.h"
 #include <IMP/Decorator.h>

From 362a60f5a83996edfee9fee38ca0317651a81178 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 9 Nov 2021 20:18:31 -0800
Subject: [PATCH 233/250] Squashed 'modules/pmi/' changes from
 3e189d14a8..8e4fb86ce1

8e4fb86ce1 Don't require sklearn
7d4fd6ab75 Work around missing warning
cccb77645e write_pdb now fails when given multi-char chain ID
d8c8c89c4b Match new sorting of struct_asym mmCIF table
51c7d6c371 Fail PDB output if we have multi-char chain IDs
7e6e38903d Allow giving custom chain IDs to add_state()
ee8d994f85 Sort chains in mmCIF struct_asym output correctly
4717956707 Assign multi-char chain IDs in BuildSystem

git-subtree-dir: modules/pmi
git-subtree-split: 8e4fb86ce1a44e3b09ad522c021289f2b50a726e
---
 modules/pmi/pyext/src/macros.py               | 13 +++-
 modules/pmi/pyext/src/output.py               | 21 ++++--
 .../test/input/topology_multi_char_chain.txt  | 70 +++++++++++++++++++
 modules/pmi/test/input/topology_simple.txt    |  2 +
 modules/pmi/test/test_pdb_writing.py          | 50 +++++++------
 modules/pmi/test/test_topology_input.py       | 59 ++++++++++++++++
 6 files changed, 185 insertions(+), 30 deletions(-)
 create mode 100644 modules/pmi/test/input/topology_multi_char_chain.txt
 create mode 100644 modules/pmi/test/input/topology_simple.txt

diff --git a/modules/pmi/pyext/src/macros.py b/modules/pmi/pyext/src/macros.py
index 7ff3111521..f060738644 100644
--- a/modules/pmi/pyext/src/macros.py
+++ b/modules/pmi/pyext/src/macros.py
@@ -18,7 +18,6 @@
 from operator import itemgetter
 from collections import defaultdict
 import numpy as np
-import string
 import itertools
 import warnings
 import math
@@ -615,20 +614,28 @@ def __init__(self, model, sequence_connectivity_scale=4.0,
         self.force_create_gmm_files = force_create_gmm_files
         self.resolutions = resolutions
 
-    def add_state(self, reader, keep_chain_id=False, fasta_name_map=None):
+    def add_state(self, reader, keep_chain_id=False, fasta_name_map=None,
+                  chain_ids=None):
         """Add a state using the topology info in a
            IMP::pmi::topology::TopologyReader object.
         When you are done adding states, call execute_macro()
         @param reader The TopologyReader object
         @param fasta_name_map dictionary for converting protein names
                found in the fasta file
+        @param chain_ids A list or string of chain IDs for assigning to
+               newly-created molecules, e.g.
+               `string.ascii_uppercase+string.ascii_lowercase+string.digits`.
+               If not specified, chain IDs A through Z are assigned, then
+               AA through AZ, then BA through BZ, and so on, in the same
+               fashion as PDB.
         """
         state = self.system.create_state()
         self._readers.append(reader)
         # key is unique name, value is (atomic res, nonatomicres)
         these_domain_res = {}
         these_domains = {}       # key is unique name, value is _Component
-        chain_ids = string.ascii_uppercase+string.ascii_lowercase+'0123456789'
+        if chain_ids is None:
+            chain_ids = IMP.pmi.output._ChainIDs()
         numchain = 0
 
         # setup representation
diff --git a/modules/pmi/pyext/src/output.py b/modules/pmi/pyext/src/output.py
index a08ee267b7..0a87295b0c 100644
--- a/modules/pmi/pyext/src/output.py
+++ b/modules/pmi/pyext/src/output.py
@@ -152,7 +152,8 @@ def _write_mmcif_internal(flpdb, particle_infos_for_pdb, geometric_center,
             lp.write(entity_id=e.id, pdbx_seq_one_letter_code=e.seq)
 
     with writer.loop("_struct_asym", ["id", "entity_id", "details"]) as lp:
-        for chid in sorted(chains.values()):
+        # Longer chain IDs (e.g. AA) should always come after shorter (e.g. Z)
+        for chid in sorted(chains.values(), key=lambda x: (len(x.strip()), x)):
             ci = chain_info[chid]
             lp.write(id=chid, entity_id=ci.entity.id, details=ci.name)
 
@@ -235,7 +236,7 @@ def get_rmf_names(self):
     def get_stat_names(self):
         return list(self.dictionary_stats.keys())
 
-    def _init_dictchain(self, name, prot, multichar_chain=False):
+    def _init_dictchain(self, name, prot, multichar_chain=False, mmcif=False):
         self.dictchain[name] = {}
         self.use_pmi2 = False
         seen_chains = set()
@@ -246,8 +247,16 @@ def _init_dictchain(self, name, prot, multichar_chain=False):
             self.atomistic = True  # detects automatically
             for n, mol in enumerate(IMP.atom.get_by_type(
                     prot, IMP.atom.MOLECULE_TYPE)):
-                chid = _disambiguate_chain(IMP.atom.Chain(mol).get_id(),
-                                           seen_chains)
+                chid = IMP.atom.Chain(mol).get_id()
+                if not mmcif and len(chid) > 1:
+                    raise ValueError(
+                        "The system contains at least one chain ID (%s) that "
+                        "is more than 1 character long; this cannot be "
+                        "represented in PDB. Either write mmCIF files "
+                        "instead, or assign 1-character IDs to all chains "
+                        "(this can be done with the `chain_ids` argument to "
+                        "BuildSystem.add_state())." % chid)
+                chid = _disambiguate_chain(chid, seen_chains)
                 molname = IMP.pmi.get_molecule_name_and_copy(mol)
                 self.dictchain[name][molname] = chid
         else:
@@ -268,7 +277,7 @@ def init_pdb(self, name, prot, mmcif=False):
         flpdb.close()
         self.dictionary_pdbs[name] = prot
         self._pdb_mmcif[name] = mmcif
-        self._init_dictchain(name, prot)
+        self._init_dictchain(name, prot, mmcif=mmcif)
 
     def write_psf(self, filename, name):
         flpsf = open(filename, 'w')
@@ -499,7 +508,7 @@ def init_pdb_best_scoring(self,
             flpdb.close()
             self.dictionary_pdbs[name] = prot
             self._pdb_mmcif[name] = mmcif
-            self._init_dictchain(name, prot)
+            self._init_dictchain(name, prot, mmcif=mmcif)
 
     def write_pdb_best_scoring(self, score):
         if self.nbestscoring is None:
diff --git a/modules/pmi/test/input/topology_multi_char_chain.txt b/modules/pmi/test/input/topology_multi_char_chain.txt
new file mode 100644
index 0000000000..1b2d821d8e
--- /dev/null
+++ b/modules/pmi/test/input/topology_multi_char_chain.txt
@@ -0,0 +1,70 @@
+|molecule_name|color|fasta_fn|fasta_id|pdb_fn|chain|residue_range|pdb_offset|bead_size|em_residues_per_gaussian|rigid_body|super_rigid_body|chain_of_super_rigid_bodies|
+|Prot1|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot2|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot3|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot4|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot5|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot6|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot7|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot8|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot9|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot10|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot11|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot12|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot13|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot14|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot15|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot16|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot17|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot18|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot19|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot20|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot21|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot22|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot23|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot24|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot25|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot26|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot27|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot28|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot29|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot30|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot31|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot32|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot33|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot34|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot35|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot36|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot37|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot38|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot39|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot40|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot41|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot42|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot43|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot44|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot45|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot46|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot47|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot48|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot49|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot50|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot51|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot52|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot53|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot54|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot55|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot56|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot57|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot58|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot59|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot60|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot61|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot62|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot63|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot64|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot65|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot66|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot67|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot68|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
+|Prot69|green |seqs.fasta|Protein_2|BEADS   | |1,END  |    |1|0| |||
diff --git a/modules/pmi/test/input/topology_simple.txt b/modules/pmi/test/input/topology_simple.txt
new file mode 100644
index 0000000000..dbe854ad40
--- /dev/null
+++ b/modules/pmi/test/input/topology_simple.txt
@@ -0,0 +1,2 @@
+|molecule_name|color|fasta_fn|fasta_id|pdb_fn|chain|residue_range|pdb_offset|bead_size|em_residues_per_gaussian|rigid_body|super_rigid_body|chain_of_super_rigid_bodies|
+|Prot1 |blue  |seqs.fasta|Protein_1|prot.pdb  |A|55,60  |-54 |1|0|1|||
diff --git a/modules/pmi/test/test_pdb_writing.py b/modules/pmi/test/test_pdb_writing.py
index 9da5573fce..0cc1f1a15a 100644
--- a/modules/pmi/test/test_pdb_writing.py
+++ b/modules/pmi/test/test_pdb_writing.py
@@ -80,7 +80,8 @@ def test_pdb_mmcif(self):
 
         with open('test_pdb_writing.cif') as fh:
             s, = ihm.reader.read(fh)
-        self.assertEqual([x.id for x in s.asym_units], [' ', ' 1', 'A', 'A1', 'B', 'CA'])
+        self.assertEqual([x.id for x in s.asym_units],
+                         [' ', ' 1', 'A', 'B', 'A1', 'CA'])
 
         for i in range(10):
             os.unlink('test_pdb_writing.'+str(i)+'.cif')
@@ -92,6 +93,13 @@ def test_pdb_pmi2(self):
 
         # write PDB and check it's ok
         output = IMP.pmi.output.Output(atomistic=True)
+        # This will fail due to the 3rd chain being called "CA"
+        self.assertRaises(ValueError, output.init_pdb,
+                          "test_pdb_writing.pdb", root_hier)
+        # Fix chain ID to be a single character
+        chains = IMP.atom.get_by_type(root_hier, IMP.atom.CHAIN_TYPE)
+        self.assertTrue(IMP.atom.Chain.get_is_setup(chains[2]))
+        IMP.atom.Chain(chains[2]).set_id('C')
         output.init_pdb("test_pdb_writing.pdb", root_hier)
         output.write_pdbs()
         print('init best scoring')
@@ -118,26 +126,26 @@ def test_pdb_pmi2(self):
 ATOM     15  CA  BEA B   2      70.427  58.819  51.717  1.00  3.50           C
 ATOM     16  CA  BEA B   4      68.799  58.791  50.131  1.00  3.69           C
 ATOM     17  CA  BEA B   7      68.584  58.274  48.425  1.00  4.76           C
-ATOM     18  CA  MET     1     114.370  27.980 -26.088  1.00  3.07           C
-ATOM     19  CA  VAL     2     114.370  27.980 -26.088  1.00  2.89           C
-ATOM     20  CA  GLY     3     111.506  26.368 -28.075  1.00  2.27           C
-ATOM     21  CA  GLN     4     113.468  23.113 -28.639  1.00  3.01           C
-ATOM     22  CA  GLN     5     113.808  21.534 -32.168  1.00  3.01           C
-ATOM     23  CA  TYR     6     116.743  22.770 -34.259  1.00  3.32           C
-ATOM     24  CA  SER     7     116.626  25.161 -37.229  1.00  2.61           C
-ATOM     25  CA  SER     8     119.165  25.590 -40.036  1.00  2.61           C
-ATOM     26  CA  BEA A   2      70.427  58.819  51.717  1.00  3.50           C
-ATOM     27  CA  ASP A   3      70.427  58.819  51.717  1.00  2.87           C
-ATOM     28  CA  GLU A   4      68.584  58.274  48.425  1.00  3.00           C
-ATOM     29  CA  BEA A   6      68.584  58.274  48.425  1.00  3.50           C
-ATOM     30  CA  BEA A   8      68.584  58.274  48.425  1.00  3.50           C
-ATOM     31  CA  THR A   9      68.584  58.274  48.425  1.00  2.80           C
-ATOM     32  CA  BEA C   2      70.427  58.819  51.717  1.00  3.50           C
-ATOM     33  CA  ASP C   3      70.427  58.819  51.717  1.00  2.87           C
-ATOM     34  CA  GLU C   4      68.584  58.274  48.425  1.00  3.00           C
-ATOM     35  CA  BEA C   6      68.584  58.274  48.425  1.00  3.50           C
-ATOM     36  CA  BEA C   8      68.584  58.274  48.425  1.00  3.50           C
-ATOM     37  CA  THR C   9      68.584  58.274  48.425  1.00  2.80           C
+ATOM     18  CA  BEA C   2      70.427  58.819  51.717  1.00  3.50           C
+ATOM     19  CA  ASP C   3      70.427  58.819  51.717  1.00  2.87           C
+ATOM     20  CA  GLU C   4      68.584  58.274  48.425  1.00  3.00           C
+ATOM     21  CA  BEA C   6      68.584  58.274  48.425  1.00  3.50           C
+ATOM     22  CA  BEA C   8      68.584  58.274  48.425  1.00  3.50           C
+ATOM     23  CA  THR C   9      68.584  58.274  48.425  1.00  2.80           C
+ATOM     24  CA  MET     1     114.370  27.980 -26.088  1.00  3.07           C
+ATOM     25  CA  VAL     2     114.370  27.980 -26.088  1.00  2.89           C
+ATOM     26  CA  GLY     3     111.506  26.368 -28.075  1.00  2.27           C
+ATOM     27  CA  GLN     4     113.468  23.113 -28.639  1.00  3.01           C
+ATOM     28  CA  GLN     5     113.808  21.534 -32.168  1.00  3.01           C
+ATOM     29  CA  TYR     6     116.743  22.770 -34.259  1.00  3.32           C
+ATOM     30  CA  SER     7     116.626  25.161 -37.229  1.00  2.61           C
+ATOM     31  CA  SER     8     119.165  25.590 -40.036  1.00  2.61           C
+ATOM     32  CA  BEA A   2      70.427  58.819  51.717  1.00  3.50           C
+ATOM     33  CA  ASP A   3      70.427  58.819  51.717  1.00  2.87           C
+ATOM     34  CA  GLU A   4      68.584  58.274  48.425  1.00  3.00           C
+ATOM     35  CA  BEA A   6      68.584  58.274  48.425  1.00  3.50           C
+ATOM     36  CA  BEA A   8      68.584  58.274  48.425  1.00  3.50           C
+ATOM     37  CA  THR A   9      68.584  58.274  48.425  1.00  2.80           C
 ENDMDL'''.split("\n")
 
         with open("test_pdb_writing.pdb") as f:
diff --git a/modules/pmi/test/test_topology_input.py b/modules/pmi/test/test_topology_input.py
index e652145301..c620e5f678 100644
--- a/modules/pmi/test/test_topology_input.py
+++ b/modules/pmi/test/test_topology_input.py
@@ -3,6 +3,7 @@
 import IMP.pmi.topology
 import IMP.pmi.macros
 import os
+import string
 import warnings
 import IMP.test
 import IMP.rmf
@@ -119,6 +120,21 @@ def test_flexible(self):
                       str(w.message))
         self.assertIs(w.category, IMP.pmi.StructureWarning)
 
+    def test_custom_chain_ids(self):
+        """Check that custom chain IDs can be given to BuildSystem"""
+        mdl = IMP.Model()
+        tfile = self.get_input_file_name('topology_simple.txt')
+        input_dir = os.path.dirname(tfile)
+        t = IMP.pmi.topology.TopologyReader(tfile,
+                                            pdb_dir=input_dir,
+                                            fasta_dir=input_dir,
+                                            gmm_dir=input_dir)
+        bs = IMP.pmi.macros.BuildSystem(mdl)
+        bs.add_state(t, chain_ids='0123456789')
+        root_hier, dof = bs.execute_macro()
+        chains = IMP.atom.get_by_type(root_hier, IMP.atom.CHAIN_TYPE)
+        self.assertEqual([IMP.atom.Chain(c).get_id() for c in chains], ['0'])
+
     def test_keep_chain_id(self):
         """Check that keep_chain_id works"""
         mdl = IMP.Model()
@@ -142,6 +158,49 @@ def test_keep_chain_id(self):
         self.assertIn("No PDBs specified for Prot3,", str(w.message))
         self.assertIs(w.category, IMP.pmi.ParameterWarning)
 
+    def test_multi_char_chain(self):
+        """Check that multi-char chain IDs work"""
+        mdl = IMP.Model()
+        tfile = self.get_input_file_name('topology_multi_char_chain.txt')
+        input_dir = os.path.dirname(tfile)
+        t = IMP.pmi.topology.TopologyReader(tfile,
+                                            pdb_dir=input_dir,
+                                            fasta_dir=input_dir,
+                                            gmm_dir=input_dir)
+        bs = IMP.pmi.macros.BuildSystem(mdl)
+        bs.add_state(t)
+        root_hier, dof = bs.execute_macro()
+        chains = IMP.atom.get_by_type(root_hier, IMP.atom.CHAIN_TYPE)
+        self.assertEqual([IMP.atom.Chain(c).get_id() for c in chains],
+                         list(string.ascii_uppercase)
+                         + ['A'+x for x in string.ascii_uppercase]
+                         + ['B'+x for x in string.ascii_uppercase[:17]])
+
+        # Cannot output PDB since we have multi-char chains
+        output = IMP.pmi.output.Output()
+        self.assertRaises(ValueError, output.init_pdb,
+                          "test_multi_char.pdb", root_hier)
+        os.unlink('test_multi_char.pdb')
+
+        # Make sure chains in struct_asym are in the right order
+        output = IMP.pmi.output.Output()
+        output.init_pdb("test_multi_char.cif", root_hier, mmcif=True)
+        output.write_pdb("test_multi_char.cif")
+        asym = []
+        with open('test_multi_char.cif') as fh:
+            for line in fh:
+                if line.startswith('_struct_asym.details'):
+                    break
+            for line in fh:
+                if line.startswith('#'):
+                    break
+                asym.append(line.split()[0])
+        self.assertEqual(asym,
+                         list(string.ascii_uppercase)
+                         + ['A'+x for x in string.ascii_uppercase]
+                         + ['B'+x for x in string.ascii_uppercase[:17]])
+        os.unlink('test_multi_char.cif')
+
     def test_draw_molecular_composition(self):
         try:
             import matplotlib

From b16d62ad86770c4574924561e16af7b0824a77f1 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 9 Nov 2021 20:22:59 -0800
Subject: [PATCH 234/250] Document latest PMI changes

---
 ChangeLog.md | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/ChangeLog.md b/ChangeLog.md
index 576633d340..7bd7f519a3 100644
--- a/ChangeLog.md
+++ b/ChangeLog.md
@@ -22,6 +22,12 @@ ChangeLog {#changelog}
 - The orientation-dependent scoring function IMP::score_functor::OrientedSoap
   now caches the system topology and so should be roughly twice as fast in
   typical applications.
+- IMP::pmi::macros::BuildSystem::add_state() now assigns multi-character
+  chain IDs by default, so that it is no longer limited to creating 62
+  molecules.
+- IMP::pmi::output::Output now reports a ValueError if asked to write out
+  a PDB file containing multi-character chain IDs, rather than silently
+  truncating them.
 - The unused IMP::piecewise_linear_distribution class has been removed.
   Use boost::piecewise_linear_distribution instead.
 - The deprecated methods

From 1a04b19ae7f4848276a5bf9e3e557b55006fe4d4 Mon Sep 17 00:00:00 2001
From: Barak Raveh <barak.raveh@mail.huji.ac.il>
Date: Sun, 21 Nov 2021 18:56:16 +0200
Subject: [PATCH 235/250] Improve Diffusion documentation - state how D is set
 automatically

---
 modules/atom/include/Diffusion.h | 25 +++++++++++++++++++++----
 1 file changed, 21 insertions(+), 4 deletions(-)

diff --git a/modules/atom/include/Diffusion.h b/modules/atom/include/Diffusion.h
index d8aba273a2..6ea5c26727 100644
--- a/modules/atom/include/Diffusion.h
+++ b/modules/atom/include/Diffusion.h
@@ -24,9 +24,8 @@ IMPATOM_BEGIN_NAMESPACE
 /** \ingroup helper
     \ingroup decorators
     \see BrownianDynamics
-    \unstable{Diffusion} The name really should be fixed.
 
-    Diffusion is used to decorate diffusing particle with a diffusion
+    Diffusion is used to decorate a diffusing particle with a diffusion
     coefficient D. D is assumed to be in units of \f$A^2/fs\f$.
 
     \see RigidBodyDiffusion
@@ -43,6 +42,15 @@ class IMPATOMEXPORT Diffusion : public IMP::core::XYZ {
     XYZ::setup_particle(m, pi, v);
     do_setup_particle(m, pi, D);
   }
+
+  /**
+     Same as do_setup_particle(m, pi, D) but D is automatically set
+     to IMP::atom::get_einstein_diffusion_coefficient(radius) for radius
+     IMP::core::XYZR(m, pi).get_radius(). 
+
+     Note a different D should probably be set manually if the temperature is
+     not the default IMP temperature (297.15).
+   */
   static void do_setup_particle(Model *m, ParticleIndex pi);
 
  public:
@@ -52,7 +60,7 @@ class IMPATOMEXPORT Diffusion : public IMP::core::XYZ {
   /** Assume particle is already a core::XYZR particle. */
   IMP_DECORATOR_SETUP_0(Diffusion);
 
-  //! Return true if the particle is an instance of an Diffusion
+  //! Return true if the particle is an instance of Diffusion
   static bool get_is_setup(Model *m, ParticleIndex p) {
     return m->get_has_attribute(get_diffusion_coefficient_key(), p);
   }
@@ -76,7 +84,16 @@ IMP_DECORATORS(Diffusion, Diffusions, core::XYZs);
 
 /** A rigid body that is diffusing, so it also has a rotation diffusion
     coefficient. The units on the rotational coefficient are
-    \f$radians^2/fs\f$.*/
+    \f$radians^2/fs\f$.
+
+    The translational and rotational diffusion coefficients are set automatically
+    using IMP::atom::get_einstein_diffusion_coefficient(radius) and 
+    IMP::atom::get_einstein_rotational_diffusion_coefficient(radius) for radius
+    IMP::core::XYZR(m, pi).get_radius(). 
+
+    Note that different translational and rotational coefficients should probably 
+    be set manually if the temperature is not the default IMP temperature.
+*/
 class IMPATOMEXPORT RigidBodyDiffusion : public Diffusion {
   static void do_setup_particle(Model *m, ParticleIndex pi);
 

From 82b5c0f18bbf60d70f0deafa9d7222c7ebb4c177 Mon Sep 17 00:00:00 2001
From: Barak Raveh <barak.raveh@mail.huji.ac.il>
Date: Mon, 29 Nov 2021 17:42:29 +0200
Subject: [PATCH 236/250] Better document Distance/SphereDistance pair scores
 to minimize confusion

---
 modules/core/include/DistancePairScore.h      | 25 ++++++++++++++++---
 .../core/include/SphereDistancePairScore.h    | 11 ++++++--
 2 files changed, 30 insertions(+), 6 deletions(-)

diff --git a/modules/core/include/DistancePairScore.h b/modules/core/include/DistancePairScore.h
index 21cc887b0a..632b47ad0f 100644
--- a/modules/core/include/DistancePairScore.h
+++ b/modules/core/include/DistancePairScore.h
@@ -15,8 +15,16 @@
 #include <IMP/score_functor/distance_pair_score_macros.h>
 IMPCORE_BEGIN_NAMESPACE
 
-/** Score a pair of particles based on their distance using an
-    arbitrary UnaryFunction.*/
+/** Score a pair of particles based on the distance between their
+    centers using an arbitrary UnaryFunction. 
+
+    Note: implicitly assumes the scored particles are decorated as XYZR. 
+
+    \see XYZR
+    \see SphereDistancePairScore
+    \see DistancePairScore
+    \see SoftSpherePairScore
+*/
 IMP_FUNCTOR_DISTANCE_PAIR_SCORE(
     DistancePairScore, score_functor::UnaryFunctionEvaluate,
     (UnaryFunction *uf, std::string name = "DistancePairScore%1%"), (uf));
@@ -26,9 +34,18 @@ IMP_OBJECTS(DistancePairScore, DistancePairScores);
 typedef score_functor::Shift<score_functor::Harmonic> HarmonicDistanceScore;
 #endif
 
-/** Score a pair of particles based on their distance using a
+/** Score a pair of particles based on the distance between their centers, using a
     Harmonic. This is faster than DistancePairScore if you
-    are using a Harmonic.*/
+    are using a Harmonic.
+
+    Note: implicitly assumes the scored particles are decorated as XYZR. 
+
+    \see XYZR
+    \see SphereDistancePairScore
+    \see DistancePairScore
+    \see SoftSpherePairScore
+
+*/
 IMP_FUNCTOR_DISTANCE_PAIR_SCORE(
     HarmonicDistancePairScore, HarmonicDistanceScore,
     (double x0, double k, std::string name = "HarmonicDistancePairScore%1%"),
diff --git a/modules/core/include/SphereDistancePairScore.h b/modules/core/include/SphereDistancePairScore.h
index 06fad2546a..55d4fa68cf 100644
--- a/modules/core/include/SphereDistancePairScore.h
+++ b/modules/core/include/SphereDistancePairScore.h
@@ -26,7 +26,11 @@ typedef score_functor::SphereDistance<score_functor::UnaryFunctionEvaluate>
     SphereDistanceScore;
 
 //! A score on the distance between the surfaces of two spheres.
-/** \see XYZR
+/** Scores based on the distance between the surfaces of two spheres,
+    implicitly assuming they are decoarated as XYZR, using an arbitrary
+    unary function. Note the distance may be negative if the spheres overlap.
+
+    \see XYZR
     \see SphereDistancePairScore
     \see DistancePairScore
     \see SoftSpherePairScore
@@ -85,7 +89,10 @@ typedef score_functor::SphereDistance<
     score_functor::Shift<score_functor::Harmonic> > HarmonicSphereDistanceScore;
 
 //!A harmonic score on the distance between two spheres
-/** \see XYZR
+/** A harmonic score on the distance between two spheres, implicitly
+    assuming they are decoarated as XYZR.
+
+    \see XYZR
     \see SpherePairScore
     \see SoftSpherePairScore
  */

From 3deeb33d0b4ebda059338ddc2362f6ede9421116 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 29 Nov 2021 08:38:10 -0800
Subject: [PATCH 237/250] Fix typos

---
 modules/core/include/SphereDistancePairScore.h | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/modules/core/include/SphereDistancePairScore.h b/modules/core/include/SphereDistancePairScore.h
index 55d4fa68cf..3ab7dee5db 100644
--- a/modules/core/include/SphereDistancePairScore.h
+++ b/modules/core/include/SphereDistancePairScore.h
@@ -27,7 +27,7 @@ typedef score_functor::SphereDistance<score_functor::UnaryFunctionEvaluate>
 
 //! A score on the distance between the surfaces of two spheres.
 /** Scores based on the distance between the surfaces of two spheres,
-    implicitly assuming they are decoarated as XYZR, using an arbitrary
+    implicitly assuming they are decorated as XYZR, using an arbitrary
     unary function. Note the distance may be negative if the spheres overlap.
 
     \see XYZR
@@ -88,9 +88,9 @@ IMP_OBJECTS(HarmonicUpperBoundSphereDiameterPairScore,
 typedef score_functor::SphereDistance<
     score_functor::Shift<score_functor::Harmonic> > HarmonicSphereDistanceScore;
 
-//!A harmonic score on the distance between two spheres
+//! A harmonic score on the distance between two spheres
 /** A harmonic score on the distance between two spheres, implicitly
-    assuming they are decoarated as XYZR.
+    assuming they are decorated as XYZR.
 
     \see XYZR
     \see SpherePairScore

From 624451f4a4bcf20c76b1d154df2e46918e9d76d7 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 30 Nov 2021 13:13:30 -0800
Subject: [PATCH 238/250] Squashed 'modules/pmi/' changes from
 8e4fb86ce1..6bd21f8955

6bd21f8955 Don't apply fragment offset when making range
6ee7bd03ec Cosine periodicity should be an integer
a583d7a9a2 Don't use deprecated numpy.float

git-subtree-dir: modules/pmi
git-subtree-split: 6bd21f89558ff5743689667ecb509a678d9fedf8
---
 modules/pmi/pyext/src/mmcif.py                |  6 ++--
 .../pyext/src/restraints/stereochemistry.py   |  2 +-
 modules/pmi/test/test_output.py               |  3 +-
 modules/pmi/test/test_protocol_output.py      | 29 +++++++++++++++++++
 4 files changed, 36 insertions(+), 4 deletions(-)

diff --git a/modules/pmi/pyext/src/mmcif.py b/modules/pmi/pyext/src/mmcif.py
index 9944545679..9087e368e2 100644
--- a/modules/pmi/pyext/src/mmcif.py
+++ b/modules/pmi/pyext/src/mmcif.py
@@ -871,10 +871,12 @@ def add_pdb_fragment(self, fragment):
             # Break circular ref between fragment and model
             models[-1].fragments.append(weakref.proxy(fragment))
             # Update residue range to cover all fragments
+            # We don't use fragment.offset here because fragment numbering
+            # is already in seq_id, not PDB numbering
             pmi_offset = models[-1].asym_unit.entity.pmi_offset
-            sid_begin = min(fragment.start + fragment.offset - pmi_offset,
+            sid_begin = min(fragment.start - pmi_offset,
                             models[-1].asym_unit.seq_id_range[0])
-            sid_end = max(fragment.end + fragment.offset - pmi_offset,
+            sid_end = max(fragment.end - pmi_offset,
                           models[-1].asym_unit.seq_id_range[1])
             models[-1].asym_unit = fragment.asym_unit.asym(sid_begin, sid_end)
         fragment.starting_model = models[-1]
diff --git a/modules/pmi/pyext/src/restraints/stereochemistry.py b/modules/pmi/pyext/src/restraints/stereochemistry.py
index cba347c00f..c07a6d0cd8 100644
--- a/modules/pmi/pyext/src/restraints/stereochemistry.py
+++ b/modules/pmi/pyext/src/restraints/stereochemistry.py
@@ -1087,7 +1087,7 @@ def __init__(self, particle_triplets, angle=0., k=1., label=None,
                                                      weight=weight)
 
         angle = math.pi * angle / 180.
-        ds = IMP.core.Cosine(.5 * k, 1., -angle)
+        ds = IMP.core.Cosine(.5 * k, 1, -angle)
         for i, t1 in enumerate(particle_triplets[:-1]):
             t2 = particle_triplets[i + 1]
             q1 = [t1[1], t1[0], t2[0], t2[1]]
diff --git a/modules/pmi/test/test_output.py b/modules/pmi/test/test_output.py
index c1c0648cb1..097420230b 100644
--- a/modules/pmi/test/test_output.py
+++ b/modules/pmi/test/test_output.py
@@ -97,7 +97,8 @@ def _check_stat_file(self, fname):
         self.assertEqual(sorted(categories), output1_categories)
 
         vals = po.get_fields(["AtomicXLRestraint"])["AtomicXLRestraint"]
-        self.assertAlmostEqual(numpy.average(numpy.array(vals).astype(numpy.float)), 10.1270600392)
+        self.assertAlmostEqual(numpy.average(numpy.array(vals).astype(float)),
+                               10.1270600392)
 
         # Test filters and statistics
         stats = IMP.pmi.output.OutputStatistics()
diff --git a/modules/pmi/test/test_protocol_output.py b/modules/pmi/test/test_protocol_output.py
index a763175105..f9da67a02b 100644
--- a/modules/pmi/test/test_protocol_output.py
+++ b/modules/pmi/test/test_protocol_output.py
@@ -1,6 +1,11 @@
 from __future__ import print_function
+import os
 import IMP.test
 import IMP.pmi.output
+import IMP.pmi.mmcif
+import IMP.pmi.macros
+import ihm.dumper
+
 
 class TestPO(IMP.pmi.output.ProtocolOutput):
     _file_datasets = []
@@ -8,6 +13,7 @@ class TestPO(IMP.pmi.output.ProtocolOutput):
     def _add_state(self, obj):
         return self
 
+
 class Tests(IMP.test.TestCase):
 
     def test_prot_add(self):
@@ -17,5 +23,28 @@ def test_prot_add(self):
         po = TestPO()
         s.add_protocol_output(po)
 
+    def test_full_topology_reader(self):
+        """Test full run with TopologyReader"""
+        try:
+            import sklearn
+        except ImportError:
+            self.skipTest("no sklearn package")
+        mdl = IMP.Model()
+        po = IMP.pmi.mmcif.ProtocolOutput()
+        tfile = self.get_input_file_name('topology_new.txt')
+        input_dir = os.path.dirname(tfile)
+        t = IMP.pmi.topology.TopologyReader(tfile, pdb_dir=input_dir,
+                                            fasta_dir=input_dir,
+                                            gmm_dir=input_dir)
+        bs = IMP.pmi.macros.BuildSystem(mdl)
+        bs.system.add_protocol_output(po)
+        bs.add_state(t)
+        root_hier, dof = bs.execute_macro()
+        po.finalize()
+        with open('test_full_topology_reader.cif', 'w') as fh:
+            ihm.dumper.write(fh, [po.system])
+        os.unlink('test_full_topology_reader.cif')
+
+
 if __name__ == '__main__':
     IMP.test.main()

From f73e3705ae8be0637609c6cc64706bfc1eb80320 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Tue, 30 Nov 2021 13:13:59 -0800
Subject: [PATCH 239/250] Squashed 'modules/core/dependency/python-ihm/'
 changes from 896a839926..20d8b4e76b

20d8b4e76b Allow AsymUnit.strand_id to differ from id
317b292a44 Add support for insertion codes
3b45b9a28d Output insertion codes in atom_site table
a6d805d7ae Combine Category info when adding Dictionaries

git-subtree-dir: modules/core/dependency/python-ihm
git-subtree-split: 20d8b4e76bbe5511e8285e8fb2e35dc1cdd6b735
---
 .../core/dependency/python-ihm/ChangeLog.rst  |  12 ++
 .../dependency/python-ihm/ihm/__init__.py     |  48 ++++++--
 .../dependency/python-ihm/ihm/dictionary.py   |  20 +++-
 .../core/dependency/python-ihm/ihm/dumper.py  |  29 +++--
 .../core/dependency/python-ihm/ihm/reader.py  |  39 ++++---
 .../dependency/python-ihm/src/ihm_format.i    |  28 ++++-
 .../python-ihm/test/test_dictionary.py        |  43 ++++++++
 .../dependency/python-ihm/test/test_dumper.py |  61 +++++-----
 .../python-ihm/test/test_examples.py          |   4 +-
 .../dependency/python-ihm/test/test_main.py   |  17 +--
 .../dependency/python-ihm/test/test_reader.py | 104 +++++++++++++-----
 11 files changed, 298 insertions(+), 107 deletions(-)

diff --git a/modules/core/dependency/python-ihm/ChangeLog.rst b/modules/core/dependency/python-ihm/ChangeLog.rst
index 914e80a2b4..312e0e1c37 100644
--- a/modules/core/dependency/python-ihm/ChangeLog.rst
+++ b/modules/core/dependency/python-ihm/ChangeLog.rst
@@ -1,3 +1,15 @@
+HEAD
+====
+  - :class:`ihm.AsymUnit` now supports insertion codes in its
+    ``auth_seq_id_map``. The target of this mapping can either be an
+    author-provided residue number (as previously) or a 2-element tuple
+    containing this number and an insertion code.
+  - :class:`ihm.AsymUnit` now allows the PDB or author-provided strand/chain ID
+    to be different from the regular ID.
+  - Bugfix: if two :class:`ihm.Dictionary` objects both contain information
+    about a given category, adding the two dictionaries together now combines
+    the category information, rather than just using that from one dictionary.
+
 0.23 - 2021-11-01
 =================
   - Bugfix: _struct_ref.pdbx_seq_one_letter_code is now treated as the subset
diff --git a/modules/core/dependency/python-ihm/ihm/__init__.py b/modules/core/dependency/python-ihm/ihm/__init__.py
index 11aec88a6c..e7521f5144 100644
--- a/modules/core/dependency/python-ihm/ihm/__init__.py
+++ b/modules/core/dependency/python-ihm/ihm/__init__.py
@@ -998,10 +998,17 @@ def atom(self, atom_id):
         return Atom(residue=self, id=atom_id)
 
     def _get_auth_seq_id(self):
-        return self.asym._get_auth_seq_id(self.seq_id)
+        return self.asym._get_auth_seq_id_ins_code(self.seq_id)[0]
     auth_seq_id = property(_get_auth_seq_id,
                            doc="Author-provided seq_id; only makes sense "
                                "for asymmetric units")
+
+    def _get_ins_code(self):
+        return self.asym._get_auth_seq_id_ins_code(self.seq_id)[1]
+    ins_code = property(_get_ins_code,
+                        doc="Insertion code; only makes sense "
+                            "for asymmetric units")
+
     # Allow passing residues where a range is requested
     # (e.g. to ResidueFeature)
     seq_id_range = property(lambda self: (self.seq_id, self.seq_id))
@@ -1179,35 +1186,49 @@ class AsymUnit(object):
        :param str details: Longer text description of this unit.
        :param auth_seq_id_map: Mapping from internal 1-based consecutive
               residue numbering (`seq_id`) to "author-provided" numbering
-              (`auth_seq_id`). This can be either be an int offset, in
-              which case ``auth_seq_id = seq_id + auth_seq_id_map``, or
-              a mapping type (dict, list, tuple) in which case
-              ``auth_seq_id = auth_seq_id_map[seq_id]``. (Note that if a `list`
-              or `tuple` is used, the first element in the list or tuple does
+              (`auth_seq_id` plus an optional `ins_code`). This can be either
+              be an int offset, in which case
+              ``auth_seq_id = seq_id + auth_seq_id_map`` with no insertion
+              codes, or a mapping type (dict, list, tuple) in which case
+              ``auth_seq_id = auth_seq_id_map[seq_id]`` with no insertion
+              codes, or
+              ``auth_seq_id, ins_code = auth_seq_id_map[seq_id]`` - i.e. the
+              output of the mapping is either the author-provided number, or a
+              2-element tuple containing that number and an insertion code.
+              (Note that if a `list` or `tuple` is used for the mapping, the
+              first element in the list or tuple does
               **not** correspond to the first residue and will never be used -
               since `seq_id` can never be zero.) The default if
               not specified, or not in the mapping, is for
-              ``auth_seq_id == seq_id``.
+              ``auth_seq_id == seq_id`` and for no insertion codes to be used.
        :param str id: User-specified ID (usually a string of one or more
               upper-case letters, e.g. A, B, C, AA). If not specified,
               IDs are automatically assigned alphabetically.
+       :param str strand_id: PDB or "author-provided" strand/chain ID.
+              If not specified, it will be the same as the regular ID.
 
        See :attr:`System.asym_units`.
     """
 
-    def __init__(self, entity, details=None, auth_seq_id_map=0, id=None):
+    def __init__(self, entity, details=None, auth_seq_id_map=0, id=None,
+                 strand_id=None):
         self.entity, self.details = entity, details
         self.auth_seq_id_map = auth_seq_id_map
         self.id = id
+        self._strand_id = strand_id
 
-    def _get_auth_seq_id(self, seq_id):
+    def _get_auth_seq_id_ins_code(self, seq_id):
         if isinstance(self.auth_seq_id_map, int):
-            return seq_id + self.auth_seq_id_map
+            return seq_id + self.auth_seq_id_map, None
         else:
             try:
-                return self.auth_seq_id_map[seq_id]
+                ret = self.auth_seq_id_map[seq_id]
+                if isinstance(ret, (int, str)):
+                    return ret, None
+                else:
+                    return ret
             except (KeyError, IndexError):
-                return seq_id
+                return seq_id, None
 
     def __call__(self, seq_id_begin, seq_id_end):
         return AsymUnitRange(self, seq_id_begin, seq_id_end)
@@ -1219,6 +1240,9 @@ def residue(self, seq_id):
     seq_id_range = property(lambda self: self.entity.seq_id_range,
                             doc="Sequence range")
 
+    strand_id = property(lambda self: self._strand_id or self._id,
+                         doc="PDB or author-provided strand/chain ID")
+
 
 class Assembly(list):
     """A collection of parts of the system that were modeled or probed
diff --git a/modules/core/dependency/python-ihm/ihm/dictionary.py b/modules/core/dependency/python-ihm/ihm/dictionary.py
index d2ac378688..50e6401312 100644
--- a/modules/core/dependency/python-ihm/ihm/dictionary.py
+++ b/modules/core/dependency/python-ihm/ihm/dictionary.py
@@ -173,7 +173,13 @@ def __init__(self):
         self.linked_items = {}
 
     def __iadd__(self, other):
-        self.categories.update(other.categories)
+        for name, cat in other.categories.items():
+            if name in self.categories:
+                # If both dictionaries contain information on the same
+                # category, combine it
+                self.categories[name]._update(cat)
+            else:
+                self.categories[name] = cat
         self.linked_items.update(other.linked_items)
         return self
 
@@ -221,6 +227,18 @@ def __init__(self):
         #: True iff this category is required in a compliant mmCIF file
         self.mandatory = None
 
+    def _update(self, other):
+        """Update with information from another Category object"""
+        assert other.name == self.name
+        self.keywords.update(other.keywords)
+        self.description = self.description or other.description
+        if self.mandatory is None:
+            # e.g. if other.mandatory is False and self.mandatory is None
+            # we want to use False; "None or False" returns None.
+            self.mandatory = other.mandatory
+        else:
+            self.mandatory = self.mandatory or other.mandatory
+
 
 class _DoNothingRegEx(object):
     """A mock regex object which always matches"""
diff --git a/modules/core/dependency/python-ihm/ihm/dumper.py b/modules/core/dependency/python-ihm/ihm/dumper.py
index 8b3f2cfe69..5889b637f4 100644
--- a/modules/core/dependency/python-ihm/ihm/dumper.py
+++ b/modules/core/dependency/python-ihm/ihm/dumper.py
@@ -538,7 +538,7 @@ def dump(self, system, writer):
         strand = {}
         for asym in system.asym_units:
             if asym.entity._id not in strand:
-                strand[asym.entity._id] = asym._id
+                strand[asym.entity._id] = asym.strand_id
         with writer.loop("_entity_poly",
                          ["entity_id", "type", "nstd_linkage",
                           "nstd_monomer", "pdbx_strand_id",
@@ -623,19 +623,21 @@ def dump(self, system, writer):
         with writer.loop("_pdbx_poly_seq_scheme",
                          ["asym_id", "entity_id", "seq_id", "mon_id",
                           "pdb_seq_num", "auth_seq_num", "pdb_mon_id",
-                          "auth_mon_id", "pdb_strand_id"]) as lp:
+                          "auth_mon_id", "pdb_strand_id",
+                          "pdb_ins_code"]) as lp:
             for asym in system.asym_units:
                 entity = asym.entity
                 if not entity.is_polymeric():
                     continue
                 for num, comp in enumerate(entity.sequence):
-                    auth_seq_num = asym._get_auth_seq_id(num + 1)
-                    lp.write(asym_id=asym._id, pdb_strand_id=asym._id,
+                    auth_seq_num, ins = asym._get_auth_seq_id_ins_code(num + 1)
+                    lp.write(asym_id=asym._id, pdb_strand_id=asym.strand_id,
                              entity_id=entity._id,
                              seq_id=num + 1, pdb_seq_num=auth_seq_num,
                              auth_seq_num=auth_seq_num,
                              mon_id=comp.id, pdb_mon_id=comp.id,
-                             auth_mon_id=comp.id)
+                             auth_mon_id=comp.id,
+                             pdb_ins_code=ins)
 
 
 class _NonPolySchemeDumper(Dumper):
@@ -645,20 +647,21 @@ def dump(self, system, writer):
         with writer.loop("_pdbx_nonpoly_scheme",
                          ["asym_id", "entity_id", "mon_id",
                           "pdb_seq_num", "auth_seq_num", "pdb_mon_id",
-                          "auth_mon_id", "pdb_strand_id"]) as lp:
+                          "auth_mon_id", "pdb_strand_id",
+                          "pdb_ins_code"]) as lp:
             for asym in system.asym_units:
                 entity = asym.entity
                 if entity.is_polymeric():
                     continue
                 # todo: handle multiple waters
                 for num, comp in enumerate(entity.sequence):
-                    auth_seq_num = asym._get_auth_seq_id(num + 1)
-                    lp.write(asym_id=asym._id, pdb_strand_id=asym._id,
+                    auth_seq_num, ins = asym._get_auth_seq_id_ins_code(num + 1)
+                    lp.write(asym_id=asym._id, pdb_strand_id=asym.strand_id,
                              entity_id=entity._id,
                              pdb_seq_num=auth_seq_num,
                              auth_seq_num=auth_seq_num,
                              mon_id=comp.id, pdb_mon_id=comp.id,
-                             auth_mon_id=comp.id)
+                             auth_mon_id=comp.id, pdb_ins_code=ins)
 
 
 class _AsymIDProvider(object):
@@ -1477,7 +1480,7 @@ def dump_atoms(self, system, writer):
         with writer.loop("_atom_site",
                          ["group_PDB", "id", "type_symbol",
                           "label_atom_id", "label_alt_id", "label_comp_id",
-                          "label_seq_id", "auth_seq_id",
+                          "label_seq_id", "auth_seq_id", "pdbx_PDB_ins_code",
                           "label_asym_id", "Cartn_x",
                           "Cartn_y", "Cartn_z", "occupancy", "label_entity_id",
                           "auth_asym_id",
@@ -1490,7 +1493,8 @@ def dump_atoms(self, system, writer):
                     seq_id = 1 if atom.seq_id is None else atom.seq_id
                     comp = atom.asym_unit.entity.sequence[seq_id - 1]
                     seen_types[atom.type_symbol] = None
-                    auth_seq_id = atom.asym_unit._get_auth_seq_id(seq_id)
+                    auth_seq_id, ins = \
+                        atom.asym_unit._get_auth_seq_id_ins_code(seq_id)
                     lp.write(id=next(ordinal),
                              type_symbol=atom.type_symbol,
                              group_PDB='HETATM' if atom.het else 'ATOM',
@@ -1500,7 +1504,8 @@ def dump_atoms(self, system, writer):
                              label_entity_id=atom.asym_unit.entity._id,
                              label_seq_id=atom.seq_id,
                              auth_seq_id=auth_seq_id,
-                             auth_asym_id=atom.asym_unit._id,
+                             pdbx_PDB_ins_code=ins or ihm.unknown,
+                             auth_asym_id=atom.asym_unit.strand_id,
                              Cartn_x=atom.x, Cartn_y=atom.y, Cartn_z=atom.z,
                              B_iso_or_equiv=atom.biso,
                              occupancy=atom.occupancy,
diff --git a/modules/core/dependency/python-ihm/ihm/reader.py b/modules/core/dependency/python-ihm/ihm/reader.py
index c666988074..6a812bfb2f 100644
--- a/modules/core/dependency/python-ihm/ihm/reader.py
+++ b/modules/core/dependency/python-ihm/ihm/reader.py
@@ -1888,9 +1888,9 @@ class _AtomSiteHandler(Handler):
 
     def __call__(self, pdbx_pdb_model_num, label_asym_id, b_iso_or_equiv,
                  label_seq_id, label_atom_id, type_symbol, cartn_x, cartn_y,
-                 cartn_z, occupancy, group_pdb, auth_seq_id):
+                 cartn_z, occupancy, group_pdb, auth_seq_id,
+                 pdbx_pdb_ins_code):
         # todo: handle fields other than those output by us
-        # todo: handle insertion codes
         model = self.sysr.models.get_by_id(pdbx_pdb_model_num)
         asym = self.sysr.asym_units.get_by_id(label_asym_id)
         biso = self.get_float(b_iso_or_equiv)
@@ -1907,10 +1907,12 @@ def __call__(self, pdbx_pdb_model_num, label_asym_id, b_iso_or_equiv,
 
         auth_seq_id = self.get_int_or_string(auth_seq_id)
         # Note any residues that have different seq_id and auth_seq_id
-        if auth_seq_id is not None and seq_id != auth_seq_id:
+        if (auth_seq_id is not None and
+                (seq_id != auth_seq_id
+                 or pdbx_pdb_ins_code not in (None, ihm.unknown))):
             if asym.auth_seq_id_map == 0:
                 asym.auth_seq_id_map = {}
-            asym.auth_seq_id_map[seq_id] = auth_seq_id
+            asym.auth_seq_id_map[seq_id] = auth_seq_id, pdbx_pdb_ins_code
 
 
 class _StartingModelCoordHandler(Handler):
@@ -2246,23 +2248,28 @@ class _PolySeqSchemeHandler(Handler):
     if _format is not None:
         _add_c_handler = _format.add_poly_seq_scheme_handler
 
-    # Note: do not change the ordering of the first 4 parameters to this
+    # Note: do not change the ordering of the first 6 parameters to this
     # function; the C parser expects them in this order
-    def __call__(self, asym_id, seq_id, auth_seq_num):
+    def __call__(self, asym_id, seq_id, auth_seq_num, pdb_ins_code,
+                 pdb_strand_id):
         asym = self.sysr.asym_units.get_by_id(asym_id)
         seq_id = self.get_int(seq_id)
+        if pdb_strand_id not in (None, ihm.unknown, asym_id):
+            asym._strand_id = pdb_strand_id
         auth_seq_num = self.get_int_or_string(auth_seq_num)
         # Note any residues that have different seq_id and auth_seq_id
         if seq_id is not None and auth_seq_num is not None \
-           and seq_id != auth_seq_num:
+           and (seq_id != auth_seq_num
+                or pdb_ins_code not in (None, ihm.unknown)):
             if asym.auth_seq_id_map == 0:
                 asym.auth_seq_id_map = {}
-            asym.auth_seq_id_map[seq_id] = auth_seq_num
+            asym.auth_seq_id_map[seq_id] = auth_seq_num, pdb_ins_code
 
     def finalize(self):
         for asym in self.sysr.system.asym_units:
             # If every residue in auth_seq_id_map is offset by the same
-            # amount, replace the map with a simple offset
+            # amount, and no insertion codes, replace the map with a
+            # simple offset
             offset = self._get_auth_seq_id_offset(asym)
             if offset is not None:
                 asym.auth_seq_id_map = offset
@@ -2284,10 +2291,13 @@ def _get_auth_seq_id_offset(self, asym):
             # a nonzero offset by construction)
             if seq_id not in asym.auth_seq_id_map:
                 return
-            auth_seq_id = asym.auth_seq_id_map[seq_id]
+            auth_seq_id, ins_code = asym.auth_seq_id_map[seq_id]
             # If auth_seq_id is a string, we can't use any offset
             if not isinstance(auth_seq_id, int):
                 return
+            # If insertion codes are provided, we can't use any offset
+            if ins_code not in (None, ihm.unknown):
+                return
             this_offset = auth_seq_id - seq_id
             if offset is None:
                 offset = this_offset
@@ -2300,7 +2310,8 @@ def _get_auth_seq_id_offset(self, asym):
 class _NonPolySchemeHandler(Handler):
     category = '_pdbx_nonpoly_scheme'
 
-    def __call__(self, asym_id, entity_id, auth_seq_num, mon_id):
+    def __call__(self, asym_id, entity_id, auth_seq_num, mon_id, pdb_ins_code,
+                 pdb_strand_id):
         entity = self.sysr.entities.get_by_id(entity_id)
         # nonpolymer entities generally have information on their chemical
         # component in pdbx_entity_nonpoly, but if that's missing, at least
@@ -2314,10 +2325,12 @@ def __call__(self, asym_id, entity_id, auth_seq_num, mon_id):
                     mon_id, name=entity.description)
             entity.sequence.append(s)
         asym = self.sysr.asym_units.get_by_id(asym_id)
+        if pdb_strand_id not in (None, ihm.unknown, asym_id):
+            asym._strand_id = pdb_strand_id
         # todo: handle multiple instances (e.g. water)
         auth_seq_num = self.get_int_or_string(auth_seq_num)
-        if auth_seq_num != 1:
-            asym.auth_seq_id_map = {1: auth_seq_num}
+        if auth_seq_num != 1 or pdb_ins_code not in (None, ihm.unknown):
+            asym.auth_seq_id_map = {1: (auth_seq_num, pdb_ins_code)}
 
 
 class _CrossLinkListHandler(Handler):
diff --git a/modules/core/dependency/python-ihm/src/ihm_format.i b/modules/core/dependency/python-ihm/src/ihm_format.i
index f793e16edd..8813d5224a 100644
--- a/modules/core/dependency/python-ihm/src/ihm_format.i
+++ b/modules/core/dependency/python-ihm/src/ihm_format.i
@@ -441,18 +441,31 @@ static void handle_poly_seq_scheme_data(struct ihm_reader *reader,
   struct category_handler_data *hd = data;
   struct ihm_keyword **keys;
 
-  for (i = 0, keys = hd->keywords; i < hd->num_keywords; ++i, ++keys) {
-    /* Do nothing if any key is missing */
+  /* If both asym_id (1st keyword) and pdb_strand_id (5th keyword) are
+     present, but different, call the Python handler */
+  if (hd->keywords[0]->in_file && hd->keywords[4]->in_file &&
+      !hd->keywords[0]->omitted && !hd->keywords[4]->omitted &&
+      !hd->keywords[0]->unknown && !hd->keywords[4]->unknown &&
+      strcmp(hd->keywords[0]->data, hd->keywords[4]->data) != 0) {
+    handle_category_data(reader, data, err);
+    return;
+  }
+
+  for (i = 0, keys = hd->keywords; i < 3; ++i, ++keys) {
+    /* Do nothing if seq_id or auth_seq_num is missing */
     if (!(*keys)->in_file || (*keys)->omitted || (*keys)->unknown) {
       return;
     }
   }
 
   /* If seq_id (2nd keyword) and auth_seq_num (3rd keyword) are identical
-     integers, nothing needs to be done */
+     integers, and pdb_ins_code (4th keyword) is blank or missing,
+     nothing needs to be done */
   seq_id = strtol(hd->keywords[1]->data, &seq_id_endptr, 10);
   auth_seq_num = strtol(hd->keywords[2]->data, &auth_seq_num_endptr, 10);
-  if (!*seq_id_endptr && !*auth_seq_num_endptr && seq_id == auth_seq_num) {
+  if (!*seq_id_endptr && !*auth_seq_num_endptr && seq_id == auth_seq_num
+      && (!hd->keywords[3]->in_file || hd->keywords[3]->omitted
+          || hd->keywords[3]->unknown)) {
     return;
   } else {
     /* Otherwise, call the normal handler */
@@ -464,7 +477,8 @@ static void handle_poly_seq_scheme_data(struct ihm_reader *reader,
 %inline %{
 /* Add a handler specifically for the _pdbx_poly_seq_scheme table.
    This speeds up processing by skipping the callback to Python in
-   the common case where seq_id==auth_seq_num */
+   the common case where seq_id==auth_seq_num, asym_id==pdb_strand_id,
+   and pdb_ins_code is blank */
 void add_poly_seq_scheme_handler(struct ihm_reader *reader, char *name,
                                  PyObject *keywords, PyObject *callable,
                                  struct ihm_error **err)
@@ -475,9 +489,11 @@ void add_poly_seq_scheme_handler(struct ihm_reader *reader, char *name,
   if (hd) {
     /* Make sure the Python handler and the C handler agree on the order
        of the keywords */
-    assert(hd->num_keywords >= 3);
+    assert(hd->num_keywords >= 5);
     assert(strcmp(hd->keywords[1]->name, "seq_id") == 0);
     assert(strcmp(hd->keywords[2]->name, "auth_seq_num") == 0);
+    assert(strcmp(hd->keywords[3]->name, "pdb_ins_code") == 0);
+    assert(strcmp(hd->keywords[4]->name, "pdb_strand_id") == 0);
   }
 }
 
diff --git a/modules/core/dependency/python-ihm/test/test_dictionary.py b/modules/core/dependency/python-ihm/test/test_dictionary.py
index b286ab8ea8..6452067b45 100644
--- a/modules/core/dependency/python-ihm/test/test_dictionary.py
+++ b/modules/core/dependency/python-ihm/test/test_dictionary.py
@@ -196,6 +196,49 @@ def test_add(self):
         self._check_other_test_dictionary(d2)
         self._check_summed_dictionary(d)
 
+    def test_add_update(self):
+        """Test add Dictionaries that both contain same Category"""
+        d1 = make_test_dictionary()
+        d2 = ihm.dictionary.Dictionary()
+
+        c = ihm.dictionary.Category()
+        c.name = 'test_mandatory_category'
+        c.mandatory = True
+        add_keyword("baz", False, c)
+        d2.categories[c.name] = c
+        d = d1 + d2
+        self.assertEqual(sorted(d.categories.keys()),
+                         ['test_mandatory_category', 'test_optional_category'])
+        ks = sorted(d.categories['test_mandatory_category'].keywords.keys())
+        # Category should now contain keywords from from dictionaries
+        self.assertEqual(ks, ['bar', 'baz', 'foo'])
+
+    def test_category_update(self):
+        """Test Category._update()"""
+        cman = ihm.dictionary.Category()
+        cman.name = 'test_mandatory_category'
+        cman.description = 'my description'
+        cman.mandatory = True
+        add_keyword("foo", False, cman)
+
+        coth = ihm.dictionary.Category()
+        coth.name = 'test_mandatory_category'
+        coth.description = 'desc2'
+        coth.mandatory = False
+        add_keyword("bar", False, coth)
+
+        cman._update(coth)
+        self.assertIs(cman.mandatory, True)
+        self.assertEqual(cman.description, 'my description')
+        self.assertEqual(sorted(cman.keywords.keys()), ['bar', 'foo'])
+
+        cnone = ihm.dictionary.Category()
+        cnone.name = 'test_mandatory_category'
+        cnone._update(coth)
+        self.assertIs(cnone.mandatory, False)
+        self.assertEqual(cnone.description, 'desc2')
+        self.assertEqual(sorted(cnone.keywords.keys()), ['bar'])
+
     def test_add_inplace(self):
         """Test adding two Dictionaries in place"""
         d1 = make_test_dictionary()
diff --git a/modules/core/dependency/python-ihm/test/test_dumper.py b/modules/core/dependency/python-ihm/test/test_dumper.py
index 7e55d6d91a..da24652ac2 100644
--- a/modules/core/dependency/python-ihm/test/test_dumper.py
+++ b/modules/core/dependency/python-ihm/test/test_dumper.py
@@ -685,8 +685,8 @@ def test_entity_poly_dumper(self):
         system.entities.extend((e1, e2, e3, e4, e5, e6))
         # One protein entity is modeled (with an asym unit) the other not;
         # this should be reflected in pdbx_strand_id
-        system.asym_units.append(ihm.AsymUnit(e1, 'foo'))
-        system.asym_units.append(ihm.AsymUnit(e1, 'bar'))
+        system.asym_units.append(ihm.AsymUnit(e1, 'foo', strand_id='a'))
+        system.asym_units.append(ihm.AsymUnit(e1, 'bar', strand_id='b'))
 
         rna = ihm.Entity('AC', alphabet=ihm.RNAAlphabet)
         dna = ihm.Entity(('DA', 'DC'), alphabet=ihm.DNAAlphabet)
@@ -708,7 +708,7 @@ def test_entity_poly_dumper(self):
 _entity_poly.pdbx_strand_id
 _entity_poly.pdbx_seq_one_letter_code
 _entity_poly.pdbx_seq_one_letter_code_can
-1 polypeptide(L) no no A ACGT ACGT
+1 polypeptide(L) no no a ACGT ACGT
 2 polypeptide(L) no no . ACC(MSE) ACCM
 3 polypeptide(D) no no . (DAL)(DCY)G ACG
 4 polypeptide(D) no no . (DAL)(DCY) AC
@@ -790,7 +790,9 @@ def test_poly_seq_scheme_dumper(self):
         system.asym_units.append(ihm.AsymUnit(e1, 'foo'))
         system.asym_units.append(ihm.AsymUnit(e2, 'bar', auth_seq_id_map=5))
         system.asym_units.append(ihm.AsymUnit(e3, 'baz'))
-        system.asym_units.append(ihm.AsymUnit(e4, 'test'))
+        system.asym_units.append(ihm.AsymUnit(e4, 'test', strand_id='X',
+                                              auth_seq_id_map={1: (1, 'A'),
+                                                               2: (1, 'B')}))
         system.asym_units.append(ihm.AsymUnit(e5, 'heme'))
         ihm.dumper._EntityDumper().finalize(system)
         ihm.dumper._StructAsymDumper().finalize(system)
@@ -807,17 +809,18 @@ def test_poly_seq_scheme_dumper(self):
 _pdbx_poly_seq_scheme.pdb_mon_id
 _pdbx_poly_seq_scheme.auth_mon_id
 _pdbx_poly_seq_scheme.pdb_strand_id
-A 1 1 ALA 1 1 ALA ALA A
-A 1 2 CYS 2 2 CYS CYS A
-A 1 3 GLY 3 3 GLY GLY A
-A 1 4 THR 4 4 THR THR A
-B 2 1 ALA 6 6 ALA ALA B
-B 2 2 CYS 7 7 CYS CYS B
-B 2 3 CYS 8 8 CYS CYS B
-C 3 1 A 1 1 A A C
-C 3 2 C 2 2 C C C
-D 4 1 DA 1 1 DA DA D
-D 4 2 DC 2 2 DC DC D
+_pdbx_poly_seq_scheme.pdb_ins_code
+A 1 1 ALA 1 1 ALA ALA A .
+A 1 2 CYS 2 2 CYS CYS A .
+A 1 3 GLY 3 3 GLY GLY A .
+A 1 4 THR 4 4 THR THR A .
+B 2 1 ALA 6 6 ALA ALA B .
+B 2 2 CYS 7 7 CYS CYS B .
+B 2 3 CYS 8 8 CYS CYS B .
+C 3 1 A 1 1 A A C .
+C 3 2 C 2 2 C C C .
+D 4 1 DA 1 1 DA DA X A
+D 4 2 DC 1 1 DC DC X B
 #
 """)
 
@@ -829,7 +832,7 @@ def test_nonpoly_scheme_dumper(self):
         e3 = ihm.Entity([ihm.NonPolymerChemComp('ZN')])
         system.entities.extend((e1, e2, e3))
         system.asym_units.append(ihm.AsymUnit(e1, 'foo'))
-        system.asym_units.append(ihm.AsymUnit(e2, 'baz'))
+        system.asym_units.append(ihm.AsymUnit(e2, 'baz', strand_id='Q'))
         system.asym_units.append(ihm.AsymUnit(e3, 'bar', auth_seq_id_map=5))
         ihm.dumper._EntityDumper().finalize(system)
         ihm.dumper._StructAsymDumper().finalize(system)
@@ -845,8 +848,9 @@ def test_nonpoly_scheme_dumper(self):
 _pdbx_nonpoly_scheme.pdb_mon_id
 _pdbx_nonpoly_scheme.auth_mon_id
 _pdbx_nonpoly_scheme.pdb_strand_id
-B 2 HEM 1 1 HEM HEM B
-C 3 ZN 6 6 ZN ZN C
+_pdbx_nonpoly_scheme.pdb_ins_code
+B 2 HEM 1 1 HEM HEM Q .
+C 3 ZN 6 6 ZN ZN C .
 #
 """)
 
@@ -2171,6 +2175,7 @@ def test_model_dumper_atoms(self):
 _atom_site.label_comp_id
 _atom_site.label_seq_id
 _atom_site.auth_seq_id
+_atom_site.pdbx_PDB_ins_code
 _atom_site.label_asym_id
 _atom_site.Cartn_x
 _atom_site.Cartn_y
@@ -2181,9 +2186,9 @@ def test_model_dumper_atoms(self):
 _atom_site.B_iso_or_equiv
 _atom_site.pdbx_PDB_model_num
 _atom_site.ihm_model_id
-ATOM 1 C C . ALA 1 1 X 1.000 2.000 3.000 . 9 X . 1 1
-HETATM 2 C CA . ALA 1 1 X 10.000 20.000 30.000 . 9 X . 1 1
-ATOM 3 N N . CYS 2 2 X 4.000 5.000 6.000 0.200 9 X 42.000 1 1
+ATOM 1 C C . ALA 1 1 ? X 1.000 2.000 3.000 . 9 X . 1 1
+HETATM 2 C CA . ALA 1 1 ? X 10.000 20.000 30.000 . 9 X . 1 1
+ATOM 3 N N . CYS 2 2 ? X 4.000 5.000 6.000 0.200 9 X 42.000 1 1
 #
 #
 loop_
@@ -2196,17 +2201,19 @@ def test_model_dumper_atoms(self):
         asym.auth_seq_id_map = -1
         out = _get_dumper_output(dumper, system)
         self.assertEqual(
-            out.split('\n')[42:45:2],
-            ["ATOM 1 C C . ALA 1 0 X 1.000 2.000 3.000 . 9 X . 1 1",
-             "ATOM 3 N N . CYS 2 1 X 4.000 5.000 6.000 0.200 9 X 42.000 1 1"])
+            out.split('\n')[43:46:2],
+            ["ATOM 1 C C . ALA 1 0 ? X 1.000 2.000 3.000 . 9 X . 1 1",
+             "ATOM 3 N N . CYS 2 1 ? X 4.000 5.000 6.000 "
+             "0.200 9 X 42.000 1 1"])
 
         # With auth_seq_id map
         asym.auth_seq_id_map = {1: 42, 2: 99}
         out = _get_dumper_output(dumper, system)
         self.assertEqual(
-            out.split('\n')[42:45:2],
-            ["ATOM 1 C C . ALA 1 42 X 1.000 2.000 3.000 . 9 X . 1 1",
-             "ATOM 3 N N . CYS 2 99 X 4.000 5.000 6.000 0.200 9 X 42.000 1 1"])
+            out.split('\n')[43:46:2],
+            ["ATOM 1 C C . ALA 1 42 ? X 1.000 2.000 3.000 . 9 X . 1 1",
+             "ATOM 3 N N . CYS 2 99 ? X 4.000 5.000 6.000 "
+             "0.200 9 X 42.000 1 1"])
 
     def test_ensemble_dumper(self):
         """Test EnsembleDumper"""
diff --git a/modules/core/dependency/python-ihm/test/test_examples.py b/modules/core/dependency/python-ihm/test/test_examples.py
index 696530535d..0422873027 100644
--- a/modules/core/dependency/python-ihm/test/test_examples.py
+++ b/modules/core/dependency/python-ihm/test/test_examples.py
@@ -39,7 +39,7 @@ def test_simple_docking_example(self):
             # can read it
             with open(os.path.join(tmpdir, 'output.cif')) as fh:
                 contents = fh.readlines()
-            self.assertEqual(len(contents), 312)
+            self.assertEqual(len(contents), 314)
             with open(os.path.join(tmpdir, 'output.cif')) as fh:
                 s, = ihm.reader.read(fh)
 
@@ -68,7 +68,7 @@ def test_ligands_water_example(self):
         # can read it
         with open(out) as fh:
             contents = fh.readlines()
-        self.assertEqual(len(contents), 158)
+        self.assertEqual(len(contents), 160)
         with open(out) as fh:
             s, = ihm.reader.read(fh)
         # Make sure that resulting Python objects are picklable
diff --git a/modules/core/dependency/python-ihm/test/test_main.py b/modules/core/dependency/python-ihm/test/test_main.py
index cc9a828a99..f5673d5b8e 100644
--- a/modules/core/dependency/python-ihm/test/test_main.py
+++ b/modules/core/dependency/python-ihm/test/test_main.py
@@ -326,6 +326,7 @@ def test_asym_unit_residue(self):
         self.assertEqual(r.asym, a)
         self.assertEqual(r.seq_id, 3)
         self.assertEqual(r.auth_seq_id, 8)
+        self.assertIsNone(r.ins_code)
 
     def test_atom_entity(self):
         """Test Atom class built from an Entity"""
@@ -396,23 +397,23 @@ def test_auth_seq_id_offset(self):
         """Test auth_seq_id offset from seq_id"""
         e = ihm.Entity('AHCDAH')
         a = ihm.AsymUnit(e, auth_seq_id_map=5)
-        self.assertEqual(a._get_auth_seq_id(1), 6)
+        self.assertEqual(a._get_auth_seq_id_ins_code(1), (6, None))
 
     def test_auth_seq_id_dict(self):
         """Test auth_seq_id dict map from seq_id"""
         e = ihm.Entity('AHCDAH')
-        a = ihm.AsymUnit(e, auth_seq_id_map={1: 0, 2: 4})
-        self.assertEqual(a._get_auth_seq_id(1), 0)
-        self.assertEqual(a._get_auth_seq_id(2), 4)
-        self.assertEqual(a._get_auth_seq_id(3), 3)
+        a = ihm.AsymUnit(e, auth_seq_id_map={1: 0, 2: (4, 'A')})
+        self.assertEqual(a._get_auth_seq_id_ins_code(1), (0, None))
+        self.assertEqual(a._get_auth_seq_id_ins_code(2), (4, 'A'))
+        self.assertEqual(a._get_auth_seq_id_ins_code(3), (3, None))
 
     def test_auth_seq_id_list(self):
         """Test auth_seq_id list map from seq_id"""
         e = ihm.Entity('AHCDAH')
         a = ihm.AsymUnit(e, auth_seq_id_map=[None, 0, 4])
-        self.assertEqual(a._get_auth_seq_id(1), 0)
-        self.assertEqual(a._get_auth_seq_id(2), 4)
-        self.assertEqual(a._get_auth_seq_id(3), 3)
+        self.assertEqual(a._get_auth_seq_id_ins_code(1), (0, None))
+        self.assertEqual(a._get_auth_seq_id_ins_code(2), (4, None))
+        self.assertEqual(a._get_auth_seq_id_ins_code(3), (3, None))
 
     def test_assembly(self):
         """Test Assembly class"""
diff --git a/modules/core/dependency/python-ihm/test/test_reader.py b/modules/core/dependency/python-ihm/test/test_reader.py
index 3a10acc0bd..18f6183f0c 100644
--- a/modules/core/dependency/python-ihm/test/test_reader.py
+++ b/modules/core/dependency/python-ihm/test/test_reader.py
@@ -1869,7 +1869,7 @@ def test_atom_site_handler(self):
         self.assertAlmostEqual(a2.occupancy, 0.2, delta=0.1)
 
     def test_atom_site_handler_auth_seq_id(self):
-        """Test AtomSiteHandler handling of auth_seq_id"""
+        """Test AtomSiteHandler handling of auth_seq_id and ins_code"""
         fh = StringIO(ASYM_ENTITY + """
 loop_
 _ihm_model_list.model_id
@@ -1899,6 +1899,7 @@ def test_atom_site_handler_auth_seq_id(self):
 _atom_site.label_comp_id
 _atom_site.label_seq_id
 _atom_site.auth_seq_id
+_atom_site.pdbx_PDB_ins_code
 _atom_site.label_asym_id
 _atom_site.Cartn_x
 _atom_site.Cartn_y
@@ -1908,13 +1909,13 @@ def test_atom_site_handler_auth_seq_id(self):
 _atom_site.B_iso_or_equiv
 _atom_site.pdbx_PDB_model_num
 _atom_site.ihm_model_id
-ATOM 1 N N . SER 1 2 A 54.401 -49.984 -35.287 1 A . 1 1
-HETATM 2 C CA . SER 2 20A A 54.452 -48.492 -35.210 1 A 42.0 1 1
-ATOM 3 N N . SER 3 3 A 54.401 -49.984 -35.287 1 A . 1 1
+ATOM 1 N N . SER 1 2 A A 54.401 -49.984 -35.287 1 A . 1 1
+HETATM 2 C CA . SER 2 20A . A 54.452 -48.492 -35.210 1 A 42.0 1 1
+ATOM 3 N N . SER 3 3 . A 54.401 -49.984 -35.287 1 A . 1 1
 """)
         s, = ihm.reader.read(fh)
         asym, = s.asym_units
-        self.assertEqual(asym.auth_seq_id_map, {1: 2, 2: '20A'})
+        self.assertEqual(asym.auth_seq_id_map, {1: (2, 'A'), 2: ('20A', None)})
 
     def test_derived_distance_restraint_handler(self):
         """Test DerivedDistanceRestraintHandler"""
@@ -2296,17 +2297,45 @@ def test_poly_seq_scheme_handler_offset(self):
 _pdbx_poly_seq_scheme.entity_id
 _pdbx_poly_seq_scheme.seq_id
 _pdbx_poly_seq_scheme.auth_seq_num
-A 1 1 6
-A 1 2 7
-A 1 3 8
-A 1 4 9
+_pdbx_poly_seq_scheme.pdb_strand_id
+A 1 1 6 A
+A 1 2 7 A
+A 1 3 8 A
+A 1 4 9 A
 """)
         s, = ihm.reader.read(fh)
         asym, = s.asym_units
         self.assertEqual(asym.auth_seq_id_map, 5)
+        self.assertIsNone(asym._strand_id)
         self.assertEqual([asym.residue(i).auth_seq_id for i in range(1, 5)],
                          [6, 7, 8, 9])
 
+    def test_poly_seq_scheme_handler_offset_ins_code(self):
+        """Test PolySeqSchemeHandler with constant offset but inscodes"""
+        fh = StringIO(ASYM_ENTITY + """
+loop_
+_pdbx_poly_seq_scheme.asym_id
+_pdbx_poly_seq_scheme.entity_id
+_pdbx_poly_seq_scheme.seq_id
+_pdbx_poly_seq_scheme.auth_seq_num
+_pdbx_poly_seq_scheme.pdb_strand_id
+_pdbx_poly_seq_scheme.pdb_ins_code
+A 1 1 6 A .
+A 1 2 7 A .
+A 1 3 8 A .
+A 1 4 9 A A
+""")
+        s, = ihm.reader.read(fh)
+        asym, = s.asym_units
+        self.assertEqual(asym.auth_seq_id_map,
+                         {1: (6, None), 2: (7, None), 3: (8, None),
+                          4: (9, 'A')})
+        self.assertIsNone(asym._strand_id)
+        self.assertEqual([asym.residue(i).auth_seq_id for i in range(1, 5)],
+                         [6, 7, 8, 9])
+        self.assertIsNone(asym.residue(1).ins_code)
+        self.assertEqual(asym.residue(4).ins_code, 'A')
+
     def test_poly_seq_scheme_handler_empty(self):
         """Test PolySeqSchemeHandler with no poly_seq_scheme"""
         fh = StringIO(ASYM_ENTITY)
@@ -2348,10 +2377,12 @@ def test_poly_seq_scheme_handler_partial(self):
 """)
         s, = ihm.reader.read(fh)
         asym, = s.asym_units
-        # No mapping for residue 4
-        self.assertEqual(asym.auth_seq_id_map, {1: 6, 2: 7, 3: 8})
+        # No mapping for residue 4 (and no insertion codes at all)
+        self.assertEqual(asym.auth_seq_id_map, {1: (6, None), 2: (7, None),
+                                                3: (8, None)})
         self.assertEqual([asym.residue(i).auth_seq_id for i in range(1, 5)],
                          [6, 7, 8, 4])
+        self.assertIsNone(asym.residue(1).ins_code)
 
     def test_poly_seq_scheme_handler_incon_off(self):
         """Test PolySeqSchemeHandler with inconsistent offset"""
@@ -2361,16 +2392,20 @@ def test_poly_seq_scheme_handler_incon_off(self):
 _pdbx_poly_seq_scheme.entity_id
 _pdbx_poly_seq_scheme.seq_id
 _pdbx_poly_seq_scheme.auth_seq_num
-A 1 1 6
-A 1 2 7
-A 1 3 8
-A 1 4 10
+_pdbx_poly_seq_scheme.pdb_strand_id
+A 1 1 6 X
+A 1 2 7 X
+A 1 3 8 X
+A 1 4 10 X
 """)
         s, = ihm.reader.read(fh)
         asym, = s.asym_units
-        self.assertEqual(asym.auth_seq_id_map, {1: 6, 2: 7, 3: 8, 4: 10})
+        self.assertEqual(asym._strand_id, 'X')
+        self.assertEqual(asym.auth_seq_id_map, {1: (6, None), 2: (7, None),
+                                                3: (8, None), 4: (10, None)})
         self.assertEqual([asym.residue(i).auth_seq_id for i in range(1, 5)],
                          [6, 7, 8, 10])
+        self.assertIsNone(asym.residue(1).ins_code)
 
     def test_poly_seq_scheme_handler_str_seq_id(self):
         """Test PolySeqSchemeHandler with a non-integer auth_seq_num"""
@@ -2380,16 +2415,22 @@ def test_poly_seq_scheme_handler_str_seq_id(self):
 _pdbx_poly_seq_scheme.entity_id
 _pdbx_poly_seq_scheme.seq_id
 _pdbx_poly_seq_scheme.auth_seq_num
-A 1 1 6
-A 1 2 7
-A 1 3 8
-A 1 4 9A
+_pdbx_poly_seq_scheme.pdb_strand_id
+_pdbx_poly_seq_scheme.pdb_ins_code
+A 1 1 6 ? .
+A 1 2 7 ? .
+A 1 3 8 ? X
+A 1 4 9A ? .
 """)
         s, = ihm.reader.read(fh)
         asym, = s.asym_units
-        self.assertEqual(asym.auth_seq_id_map, {1: 6, 2: 7, 3: 8, 4: '9A'})
+        self.assertIsNone(asym._strand_id)
+        self.assertEqual(asym.auth_seq_id_map, {1: (6, None), 2: (7, None),
+                                                3: (8, 'X'), 4: ('9A', None)})
         self.assertEqual([asym.residue(i).auth_seq_id for i in range(1, 5)],
                          [6, 7, 8, '9A'])
+        self.assertIsNone(asym.residue(1).ins_code)
+        self.assertEqual(asym.residue(3).ins_code, 'X')
 
     def test_nonpoly_scheme_handler(self):
         """Test NonPolySchemeHandler"""
@@ -2427,10 +2468,12 @@ def test_nonpoly_scheme_handler(self):
 _pdbx_nonpoly_scheme.entity_id
 _pdbx_nonpoly_scheme.mon_id
 _pdbx_nonpoly_scheme.auth_seq_num
-A 1 FOO 1
-A 1 BAR 101
-B 2 BAR 1
-C 3 HOH 1
+_pdbx_nonpoly_scheme.pdb_strand_id
+_pdbx_nonpoly_scheme.pdb_ins_code
+A 1 FOO 1 . .
+A 1 BAR 101 . .
+B 2 BAR 1 Q X
+C 3 HOH 1 . .
 """)
         s, = ihm.reader.read(fh)
         e1, e2, e3 = s.entities
@@ -2444,8 +2487,17 @@ def test_nonpoly_scheme_handler(self):
         asym, a2, a3 = s.asym_units
         # non-polymers have no seq_id_range
         self.assertEqual(asym.seq_id_range, (None, None))
-        self.assertEqual(asym.auth_seq_id_map, {1: 101})
+        self.assertEqual(asym.auth_seq_id_map, {1: (101, None)})
         self.assertEqual(asym.residue(1).auth_seq_id, 101)
+        self.assertIsNone(asym.residue(1).ins_code)
+        self.assertEqual(asym.strand_id, asym._id)
+        self.assertIsNone(asym._strand_id)
+
+        self.assertEqual(a2.auth_seq_id_map, {1: (1, 'X')})
+        self.assertEqual(a2.residue(1).auth_seq_id, 1)
+        self.assertEqual(a2.residue(1).ins_code, 'X')
+        self.assertEqual(a2.strand_id, 'Q')
+        self.assertEqual(a2._strand_id, 'Q')
 
     def test_cross_link_list_handler(self):
         """Test CrossLinkListHandler"""

From 1e05fda168916ffd5319c206b64ff80c6b8a4c44 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 1 Dec 2021 11:12:49 -0800
Subject: [PATCH 240/250] Squashed 'modules/core/dependency/python-ihm/'
 changes from 20d8b4e76b..688af31857

688af31857 Update for 0.24 release
c471ea805a Fix links to Dictionary class
707fba62cc Coerce values to string before checking regex

git-subtree-dir: modules/core/dependency/python-ihm
git-subtree-split: 688af31857276623e33696c0d02cc97dab439a30
---
 .../core/dependency/python-ihm/ChangeLog.rst   | 13 ++++++++-----
 modules/core/dependency/python-ihm/MANIFEST.in |  2 +-
 .../core/dependency/python-ihm/ihm/__init__.py |  2 +-
 .../dependency/python-ihm/ihm/dictionary.py    |  2 +-
 modules/core/dependency/python-ihm/setup.py    |  2 +-
 .../python-ihm/test/test_dictionary.py         | 18 +++++++++++++++++-
 6 files changed, 29 insertions(+), 10 deletions(-)

diff --git a/modules/core/dependency/python-ihm/ChangeLog.rst b/modules/core/dependency/python-ihm/ChangeLog.rst
index 312e0e1c37..bb41ca86d6 100644
--- a/modules/core/dependency/python-ihm/ChangeLog.rst
+++ b/modules/core/dependency/python-ihm/ChangeLog.rst
@@ -1,14 +1,17 @@
-HEAD
-====
+0.24 - 2021-12-01
+=================
   - :class:`ihm.AsymUnit` now supports insertion codes in its
     ``auth_seq_id_map``. The target of this mapping can either be an
     author-provided residue number (as previously) or a 2-element tuple
     containing this number and an insertion code.
   - :class:`ihm.AsymUnit` now allows the PDB or author-provided strand/chain ID
     to be different from the regular ID.
-  - Bugfix: if two :class:`ihm.Dictionary` objects both contain information
-    about a given category, adding the two dictionaries together now combines
-    the category information, rather than just using that from one dictionary.
+  - Bugfix: if two :class:`ihm.dictionary.Dictionary` objects both contain
+    information about a given category, adding the two dictionaries together
+    now combines the category information, rather than just using that from
+    one dictionary.
+  - Bugfix: :class:`ihm.dictionary.Dictionary` should now be able to validate
+    BinaryCIF files containing integer or float values (#66).
 
 0.23 - 2021-11-01
 =================
diff --git a/modules/core/dependency/python-ihm/MANIFEST.in b/modules/core/dependency/python-ihm/MANIFEST.in
index 8bf2de5a83..9ee1f55be3 100644
--- a/modules/core/dependency/python-ihm/MANIFEST.in
+++ b/modules/core/dependency/python-ihm/MANIFEST.in
@@ -4,4 +4,4 @@ include examples/*
 include util/make-mmcif.py
 include src/ihm_format.h
 include src/ihm_format.i
-include src/ihm_format_wrap_0.23.c
+include src/ihm_format_wrap_0.24.c
diff --git a/modules/core/dependency/python-ihm/ihm/__init__.py b/modules/core/dependency/python-ihm/ihm/__init__.py
index e7521f5144..0454cd07e3 100644
--- a/modules/core/dependency/python-ihm/ihm/__init__.py
+++ b/modules/core/dependency/python-ihm/ihm/__init__.py
@@ -19,7 +19,7 @@
     import urllib2
 import json
 
-__version__ = '0.23'
+__version__ = '0.24'
 
 
 class __UnknownValue(object):
diff --git a/modules/core/dependency/python-ihm/ihm/dictionary.py b/modules/core/dependency/python-ihm/ihm/dictionary.py
index 50e6401312..51dec51e39 100644
--- a/modules/core/dependency/python-ihm/ihm/dictionary.py
+++ b/modules/core/dependency/python-ihm/ihm/dictionary.py
@@ -110,7 +110,7 @@ def validate_data(self, category, keywords, args, link_keys):
                                    "enumerated value (options are %s)"
                                    % (category.name, key, value,
                                       ", ".join(sorted(kwobj.enumeration))))
-            if kwobj.item_type and not kwobj.item_type.regex.match(value):
+            if kwobj.item_type and not kwobj.item_type.regex.match(str(value)):
                 self.errors.append("Keyword %s.%s value %s does not match "
                                    "item type (%s) regular expression (%s)"
                                    % (category.name, key, value,
diff --git a/modules/core/dependency/python-ihm/setup.py b/modules/core/dependency/python-ihm/setup.py
index a15440593c..db2f2e9212 100755
--- a/modules/core/dependency/python-ihm/setup.py
+++ b/modules/core/dependency/python-ihm/setup.py
@@ -7,7 +7,7 @@
 import sys
 import os
 
-VERSION = "0.23"
+VERSION = "0.24"
 
 copy_args = sys.argv[1:]
 
diff --git a/modules/core/dependency/python-ihm/test/test_dictionary.py b/modules/core/dependency/python-ihm/test/test_dictionary.py
index 6452067b45..f17f212a46 100644
--- a/modules/core/dependency/python-ihm/test/test_dictionary.py
+++ b/modules/core/dependency/python-ihm/test/test_dictionary.py
@@ -2,11 +2,13 @@
 import os
 import unittest
 import sys
+from test_format_bcif import MockMsgPack, MockFh
 
 if sys.version_info[0] >= 3:
     from io import StringIO, BytesIO
 else:
-    from io import BytesIO as StringIO
+    from io import BytesIO
+    StringIO = BytesIO
 
 TOPDIR = os.path.abspath(os.path.join(os.path.dirname(__file__), '..'))
 utils.set_search_paths(TOPDIR)
@@ -276,6 +278,20 @@ def test_validate_ok(self):
         d = make_test_dictionary()
         d.validate(StringIO("_test_mandatory_category.bar 1"))
 
+    def test_validate_ok_binary_cif(self):
+        """Test successful validation of BinaryCIF input"""
+        sys.modules['msgpack'] = MockMsgPack
+        d = make_test_dictionary()
+        fh = MockFh()
+        writer = ihm.format_bcif.BinaryCifWriter(fh)
+        writer.start_block('ihm')
+        with writer.category('_test_mandatory_category') as loc:
+            loc.write(bar=1)
+        with writer.category('_test_optional_category') as loc:
+            loc.write(bar='enum1')
+        writer.flush()
+        d.validate(fh.data, format='BCIF')
+
     def test_validate_multi_data_ok(self):
         """Test successful validation of multiple data blocks"""
         d = make_test_dictionary()

From f6419cb02f619063a120fdbc07c7f34e72a22029 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 1 Dec 2021 11:59:17 -0800
Subject: [PATCH 241/250] Squashed 'modules/rmf/dependency/RMF/' changes from
 4895bff9d2..1f9442a766

1f9442a766 Add changes for 1.3.1 release

git-subtree-dir: modules/rmf/dependency/RMF
git-subtree-split: 1f9442a766022801db5fc356acbcdd78843d5daf
---
 modules/rmf/dependency/RMF/ChangeLog.md | 6 ++++++
 1 file changed, 6 insertions(+)

diff --git a/modules/rmf/dependency/RMF/ChangeLog.md b/modules/rmf/dependency/RMF/ChangeLog.md
index 55695fdeb6..5c23cc5472 100644
--- a/modules/rmf/dependency/RMF/ChangeLog.md
+++ b/modules/rmf/dependency/RMF/ChangeLog.md
@@ -1,6 +1,12 @@
 Change Log {#changelog}
 ==========
 
+# 1.3.1 - 2021-12-01 # {#changelog_1_3_1}
+- Various build fixes for newer versions of gcc and clang.
+- Build fixes for Fedora 33 or later.
+- Add support for Python 3.10.
+- Minor documentation improvements.
+
 # 1.3 - 2021-04-21 # {#changelog_1_3}
 - All RMF binaries now support the --version flag, and the RMF library itself
   is versioned.

From 3a0a13203a788763f37435f74fe2c550e35c0a39 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 1 Dec 2021 12:00:12 -0800
Subject: [PATCH 242/250] Squashed 'modules/pmi/' changes from
 6bd21f8955..598cfa2066

598cfa2066 Update to match latest python-ihm

git-subtree-dir: modules/pmi
git-subtree-split: 598cfa2066f51b96752e9e100a1844a51d3a4abe
---
 modules/pmi/test/test_mmcif.py | 5 +++--
 1 file changed, 3 insertions(+), 2 deletions(-)

diff --git a/modules/pmi/test/test_mmcif.py b/modules/pmi/test/test_mmcif.py
index 357fdc08cb..f648df5623 100644
--- a/modules/pmi/test/test_mmcif.py
+++ b/modules/pmi/test/test_mmcif.py
@@ -493,6 +493,7 @@ def test_model_dumper_atom(self):
 _atom_site.label_comp_id
 _atom_site.label_seq_id
 _atom_site.auth_seq_id
+_atom_site.pdbx_PDB_ins_code
 _atom_site.label_asym_id
 _atom_site.Cartn_x
 _atom_site.Cartn_y
@@ -503,8 +504,8 @@ def test_model_dumper_atom(self):
 _atom_site.B_iso_or_equiv
 _atom_site.pdbx_PDB_model_num
 _atom_site.ihm_model_id
-ATOM 1 . CA . MET 1 1 A -8.986 11.688 -5.817 . 1 A . 1 1
-ATOM 2 . CA . GLU 2 2 A -8.986 11.688 -5.817 . 1 A . 1 1
+ATOM 1 . CA . MET 1 1 ? A -8.986 11.688 -5.817 . 1 A . 1 1
+ATOM 2 . CA . GLU 2 2 ? A -8.986 11.688 -5.817 . 1 A . 1 1
 #
 #
 loop_

From d93091f9921aef3dc4056157df6695da92090fe0 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 1 Dec 2021 12:00:37 -0800
Subject: [PATCH 243/250] Get latest PMI1

---
 modules/pmi1 | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/pmi1 b/modules/pmi1
index f096c7c924..faf74a9d2b 160000
--- a/modules/pmi1
+++ b/modules/pmi1
@@ -1 +1 @@
-Subproject commit f096c7c924b8f1bdee0984c991e60a6f45425e4f
+Subproject commit faf74a9d2b06a55a23a5afffe08fd73d3d379951

From 2727e104cd85db02b7ecc7b2aff2ef3d95c2ba82 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 3 Dec 2021 18:01:37 -0800
Subject: [PATCH 244/250] Squashed 'modules/core/dependency/python-ihm/'
 changes from 688af31857..a2ea144cf0

a2ea144cf0 Update for 0.25 release
e4527f2d67 Don't include junk .py files in the pip package
2c238ccf6e Add support for GLX/ASX residue types
d357e1ec14 Report unknown keywords/categories in validation

git-subtree-dir: modules/core/dependency/python-ihm
git-subtree-split: a2ea144cf076f29f359116905590b7ac4c9ff468
---
 .../core/dependency/python-ihm/ChangeLog.rst  |  8 ++++
 .../core/dependency/python-ihm/MANIFEST.in    |  2 +-
 .../dependency/python-ihm/ihm/__init__.py     |  9 +++--
 .../dependency/python-ihm/ihm/dictionary.py   | 40 ++++++++++++++++---
 .../dependency/python-ihm/make-release.sh     |  2 +
 modules/core/dependency/python-ihm/setup.py   |  2 +-
 .../python-ihm/test/test_dictionary.py        | 15 +++++++
 .../dependency/python-ihm/test/test_main.py   | 15 +++++--
 8 files changed, 80 insertions(+), 13 deletions(-)

diff --git a/modules/core/dependency/python-ihm/ChangeLog.rst b/modules/core/dependency/python-ihm/ChangeLog.rst
index bb41ca86d6..db58821023 100644
--- a/modules/core/dependency/python-ihm/ChangeLog.rst
+++ b/modules/core/dependency/python-ihm/ChangeLog.rst
@@ -1,3 +1,11 @@
+0.25 - 2021-12-03
+=================
+  - :func:`ihm.dictionary.Dictionary.validate` will now report errors for
+    any keywords or categories in the file that are not present in the
+    dictionary.
+  - :class:`ihm.LPeptideAlphabet` now supports the ASX and GLX ambiguous
+    residue types.
+
 0.24 - 2021-12-01
 =================
   - :class:`ihm.AsymUnit` now supports insertion codes in its
diff --git a/modules/core/dependency/python-ihm/MANIFEST.in b/modules/core/dependency/python-ihm/MANIFEST.in
index 9ee1f55be3..e889dfc955 100644
--- a/modules/core/dependency/python-ihm/MANIFEST.in
+++ b/modules/core/dependency/python-ihm/MANIFEST.in
@@ -4,4 +4,4 @@ include examples/*
 include util/make-mmcif.py
 include src/ihm_format.h
 include src/ihm_format.i
-include src/ihm_format_wrap_0.24.c
+include src/ihm_format_wrap_0.25.c
diff --git a/modules/core/dependency/python-ihm/ihm/__init__.py b/modules/core/dependency/python-ihm/ihm/__init__.py
index 0454cd07e3..858d0a599a 100644
--- a/modules/core/dependency/python-ihm/ihm/__init__.py
+++ b/modules/core/dependency/python-ihm/ihm/__init__.py
@@ -19,7 +19,7 @@
     import urllib2
 import json
 
-__version__ = '0.24'
+__version__ = '0.25'
 
 
 class __UnknownValue(object):
@@ -737,8 +737,9 @@ def __get_weight(self):
             emass = self._element_mass.get(m.group(1), None)
             if emass:
                 weight += emass * (int(m.group(2)) if m.group(2) else 1)
-            else:
+            elif m.group(1) != 'X':
                 # If element is unknown, weight is unknown too
+                # Element 'X' is used for GLX/ASX and has zero weight
                 return None
         return weight
 
@@ -864,7 +865,9 @@ class LPeptideAlphabet(Alphabet):
                   ('T', 'THR', 'THREONINE', 'C4 H9 N O3'),
                   ('V', 'VAL', 'VALINE', 'C5 H11 N O2'),
                   ('W', 'TRP', 'TRYPTOPHAN', 'C11 H12 N2 O2'),
-                  ('Y', 'TYR', 'TYROSINE', 'C9 H11 N O3')])
+                  ('Y', 'TYR', 'TYROSINE', 'C9 H11 N O3'),
+                  ('B', 'ASX', 'ASP/ASN AMBIGUOUS', 'C4 H6 N O2 X2'),
+                  ('Z', 'GLX', 'GLU/GLN AMBIGUOUS', 'C5 H8 N O2 X2')])
     _comps['G'] = PeptideChemComp('GLY', 'G', 'G', name='GLYCINE',
                                   formula="C2 H5 N O2")
 
diff --git a/modules/core/dependency/python-ihm/ihm/dictionary.py b/modules/core/dependency/python-ihm/ihm/dictionary.py
index 51dec51e39..1265eaeb4d 100644
--- a/modules/core/dependency/python-ihm/ihm/dictionary.py
+++ b/modules/core/dependency/python-ihm/ihm/dictionary.py
@@ -81,6 +81,8 @@ class _ValidatorReader(object):
     def __init__(self, dictionary):
         self.dictionary = dictionary
         self._seen_categories = set()
+        self._unknown_categories = set()
+        self._unknown_keywords = set()
         # Keep track of all values (IDs) seen for keys that are involved in
         # parent-child relationships
         self._seen_ids = {}
@@ -147,13 +149,42 @@ def _check_linked_items(self):
                         "were not defined in the parent category (%s): %s"
                         % (child, parent, ", ".join(missing)))
 
+    def _check_unknown(self):
+        """Report errors for any unknown keywords or categories"""
+        if self._unknown_categories:
+            self.errors.append(
+                "The following categories are not defined in the "
+                "dictionary: %s"
+                % ", ".join(sorted(self._unknown_categories)))
+        if self._unknown_keywords:
+            self.errors.append(
+                "The following keywords are not defined in the dictionary: %s"
+                % ", ".join(sorted(self._unknown_keywords)))
+
     def report_errors(self):
         self._check_mandatory_categories()
         self._check_linked_items()
+        self._check_unknown()
         if self.errors:
             raise ValidatorError("\n\n".join(self.errors))
 
 
+class _UnknownCategoryHandler(object):
+    def __init__(self, sysr):
+        self.sysr = sysr
+
+    def __call__(self, catname, line):
+        self.sysr._unknown_categories.add(catname)
+
+
+class _UnknownKeywordHandler(object):
+    def __init__(self, sysr):
+        self.sysr = sysr
+
+    def __call__(self, catname, keyname, line):
+        self.sysr._unknown_keywords.add("%s.%s" % (catname, keyname))
+
+
 class Dictionary(object):
     """Representation of an mmCIF dictionary.
        See :func:`read` to create a Dictionary from a file.
@@ -197,15 +228,14 @@ def validate(self, fh, format='mmCIF'):
               default) for the (text-based) mmCIF format or 'BCIF' for
               BinaryCIF.
            :raises: :class:`ValidatorError` if the file fails to validate.
-
-           .. note:: Only basic validation is performed. In particular, extra
-              categories or keywords that are not present in the dictionary
-              are ignored rather than treated as errors.
         """
         reader_map = {'mmCIF': ihm.format.CifReader,
                       'BCIF': ihm.format_bcif.BinaryCifReader}
-        r = reader_map[format](fh, {})
         s = _ValidatorReader(self)
+        uchandler = _UnknownCategoryHandler(s)
+        ukhandler = _UnknownKeywordHandler(s)
+        r = reader_map[format](fh, {}, unknown_category_handler=uchandler,
+                               unknown_keyword_handler=ukhandler)
         handlers = [_ValidatorCategoryHandler(s, cat)
                     for cat in self.categories.values()]
         r.category_handler = dict((h.category, h) for h in handlers)
diff --git a/modules/core/dependency/python-ihm/make-release.sh b/modules/core/dependency/python-ihm/make-release.sh
index 191359206e..e7809c0f26 100755
--- a/modules/core/dependency/python-ihm/make-release.sh
+++ b/modules/core/dependency/python-ihm/make-release.sh
@@ -7,6 +7,8 @@
 # - Make release on GitHub
 # - Upload the release tarball from
 #   https://github.com/ihmwg/python-ihm/releases to Zenodo as a new release
+# - Make sure there are no extraneous .py files (setup.py will include them
+#   in the pypi package)
 
 # Make SWIG wrapper so users don't need SWIG
 rm -rf build src/ihm_format_wrap.c
diff --git a/modules/core/dependency/python-ihm/setup.py b/modules/core/dependency/python-ihm/setup.py
index db2f2e9212..c717105340 100755
--- a/modules/core/dependency/python-ihm/setup.py
+++ b/modules/core/dependency/python-ihm/setup.py
@@ -7,7 +7,7 @@
 import sys
 import os
 
-VERSION = "0.24"
+VERSION = "0.25"
 
 copy_args = sys.argv[1:]
 
diff --git a/modules/core/dependency/python-ihm/test/test_dictionary.py b/modules/core/dependency/python-ihm/test/test_dictionary.py
index f17f212a46..e052b943a0 100644
--- a/modules/core/dependency/python-ihm/test/test_dictionary.py
+++ b/modules/core/dependency/python-ihm/test/test_dictionary.py
@@ -420,6 +420,21 @@ def test_validate_linked_items(self):
                                    "_test_optional_category.bar .\n"
                                    "_test_optional_category.baz 42"))
 
+    def test_unknown_category(self):
+        """Test validator failure for unknown categories"""
+        d = make_test_dictionary()
+        self.assertRaises(
+            ihm.dictionary.ValidatorError, d.validate,
+            StringIO("_test_mandatory_category.bar 1\n_foo.bar baz"))
+
+    def test_unknown_keyword(self):
+        """Test validator failure for unknown keywords"""
+        d = make_test_dictionary()
+        self.assertRaises(
+            ihm.dictionary.ValidatorError, d.validate,
+            StringIO("_test_mandatory_category.bar 1\n"
+                     "_test_mandatory_category.unk 42"))
+
 
 if __name__ == '__main__':
     unittest.main()
diff --git a/modules/core/dependency/python-ihm/test/test_main.py b/modules/core/dependency/python-ihm/test/test_main.py
index f5673d5b8e..19375f7fc7 100644
--- a/modules/core/dependency/python-ihm/test/test_main.py
+++ b/modules/core/dependency/python-ihm/test/test_main.py
@@ -53,6 +53,9 @@ def test_chem_comp_weight(self):
         # Formula with known elements and no charge
         cc = ihm.ChemComp('X', 'X', 'X', formula='C6 H12 P')
         self.assertAlmostEqual(cc.formula_weight, 115.136, delta=0.01)
+        # Formula with element 'X' (e.g. GLX, ASX)
+        cc = ihm.ChemComp('X', 'X', 'X', formula='C6 H12 P X2')
+        self.assertAlmostEqual(cc.formula_weight, 115.136, delta=0.01)
         # Formula with known elements and formal charge
         cc = ihm.ChemComp('X', 'X', 'X', formula='C6 H12 P 1')
         self.assertAlmostEqual(cc.formula_weight, 115.136, delta=0.01)
@@ -101,13 +104,19 @@ def test_l_peptide_alphabet(self):
         self.assertAlmostEqual(a._comps['M'].formula_weight, 149.211,
                                delta=0.01)
 
+        self.assertEqual(a._comps['Z'].id, 'GLX')
+        self.assertEqual(a._comps['Z'].name, "GLU/GLN AMBIGUOUS")
+        self.assertEqual(a._comps['Z'].formula, 'C5 H8 N O2 X2')
+        self.assertAlmostEqual(a._comps['Z'].formula_weight, 114.124,
+                               delta=0.01)
+
         a = ihm.LPeptideAlphabet()
         self.assertIn('MSE', a)
         self.assertNotIn('DG', a)
-        self.assertEqual(len(a.keys), 22)
-        self.assertEqual(len(a.values), 22)
+        self.assertEqual(len(a.keys), 24)
+        self.assertEqual(len(a.values), 24)
         self.assertEqual(sorted(a.keys)[0], 'A')
-        self.assertEqual(len(a.items), 22)
+        self.assertEqual(len(a.items), 24)
         item0 = sorted(a.items)[0]
         self.assertEqual(item0[0], 'A')
         self.assertEqual(item0[1].id, 'ALA')

From ae294ccdf4f8f6bf1bbf999615cb174b458db4ea Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 3 Dec 2021 18:01:51 -0800
Subject: [PATCH 245/250] Squashed 'modules/pmi/' changes from
 598cfa2066..331238beca

331238beca Fix list extend when building with numpy

git-subtree-dir: modules/pmi
git-subtree-split: 331238beca0ef0dfefca6c85bae41c5fb6698477
---
 modules/pmi/pyext/src/analysis.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/pmi/pyext/src/analysis.py b/modules/pmi/pyext/src/analysis.py
index 74e005f22a..2ff24794e1 100644
--- a/modules/pmi/pyext/src/analysis.py
+++ b/modules/pmi/pyext/src/analysis.py
@@ -1707,7 +1707,7 @@ def set_hierarchy(self, prot):
             name = i.get_name()
             residue_indexes = []
             for p in IMP.atom.get_leaves(i):
-                residue_indexes += IMP.pmi.tools.get_residue_indexes(p)
+                residue_indexes.extend(IMP.pmi.tools.get_residue_indexes(p))
 
             if len(residue_indexes) != 0:
                 self.prot_length_dict[name] = max(residue_indexes)

From 5391f5865ff98a47cbd74d67a1a8d64af9de27bc Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Fri, 3 Dec 2021 18:02:30 -0800
Subject: [PATCH 246/250] Get latest PMI1

---
 modules/pmi1 | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/pmi1 b/modules/pmi1
index faf74a9d2b..1dff014857 160000
--- a/modules/pmi1
+++ b/modules/pmi1
@@ -1 +1 @@
-Subproject commit faf74a9d2b06a55a23a5afffe08fd73d3d379951
+Subproject commit 1dff01485759ae5136da4f2121409318150b30db

From 3a0964a01ea510929542be90d270fe64cc16d142 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 6 Dec 2021 17:01:55 -0800
Subject: [PATCH 247/250] Squashed 'modules/pmi/' changes from
 331238beca..5ebc345aeb

5ebc345aeb Another numpy list extend fix

git-subtree-dir: modules/pmi
git-subtree-split: 5ebc345aebbf1129150715a67b5629669a63204e
---
 modules/pmi/pyext/src/analysis.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/pmi/pyext/src/analysis.py b/modules/pmi/pyext/src/analysis.py
index 2ff24794e1..1efd876da2 100644
--- a/modules/pmi/pyext/src/analysis.py
+++ b/modules/pmi/pyext/src/analysis.py
@@ -1329,7 +1329,7 @@ def set_prot(self, prot):
             residue_indexes = []
             for p in particles_dictionary[name]:
                 print(p.get_name())
-                residue_indexes += IMP.pmi.tools.get_residue_indexes(p)
+                residue_indexes.extend(IMP.pmi.tools.get_residue_indexes(p))
 
             if len(residue_indexes) != 0:
                 self.protnames.append(name)

From 038056c8ddb7a0607b51ce2f09918860b26d75b1 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Mon, 6 Dec 2021 17:02:17 -0800
Subject: [PATCH 248/250] Get latest PMI1

---
 modules/pmi1 | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/modules/pmi1 b/modules/pmi1
index 1dff014857..a98c741f0d 160000
--- a/modules/pmi1
+++ b/modules/pmi1
@@ -1 +1 @@
-Subproject commit 1dff01485759ae5136da4f2121409318150b30db
+Subproject commit a98c741f0da9ac75ee28984b641c1ca581d66841

From 81c267608d721d621e81436a7977358f5595f1d4 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 8 Dec 2021 10:54:44 -0800
Subject: [PATCH 249/250] Prepare for 2.16.0 release

---
 ChangeLog.md          | 2 +-
 tools/rpm/IMP.spec.in | 3 +++
 2 files changed, 4 insertions(+), 1 deletion(-)

diff --git a/ChangeLog.md b/ChangeLog.md
index 7bd7f519a3..d4421791e2 100644
--- a/ChangeLog.md
+++ b/ChangeLog.md
@@ -1,7 +1,7 @@
 ChangeLog {#changelog}
 =========
 
-# HEAD
+# 2.16.0 - 2021-12-16 # {#changelog_2_16_0}
 - OpenCubicSpline now throws a ValueException for out-of-range values, to
   be consistent with ClosedCubicSpline (previously it threw ModelException).
 - SAXS tools (such as `compute_rg`, `foxs`) can now read input structures
diff --git a/tools/rpm/IMP.spec.in b/tools/rpm/IMP.spec.in
index e278000610..4610e622a5 100644
--- a/tools/rpm/IMP.spec.in
+++ b/tools/rpm/IMP.spec.in
@@ -542,6 +542,9 @@ find ${RPM_BUILD_ROOT}%{_prefix}/share/IMP/tools -name '*.py' -exec perl -pi -e
 %endif
 
 %changelog
+* Thu Dec 16 2021 Ben Webb <ben@salilab.org>   2.16.0-1
+- 2.16.0 release.
+
 * Wed Jun 02 2021 Ben Webb <ben@salilab.org>   2.15.0-1
 - 2.15.0 release.
 

From 9442985c672d519e24d8af5d1d4c2232457f9e97 Mon Sep 17 00:00:00 2001
From: Ben Webb <ben@salilab.org>
Date: Wed, 8 Dec 2021 10:57:55 -0800
Subject: [PATCH 250/250] Add version for 2.16.0 release

---
 VERSION | 1 +
 1 file changed, 1 insertion(+)
 create mode 100644 VERSION

diff --git a/VERSION b/VERSION
new file mode 100644
index 0000000000..7524906967
--- /dev/null
+++ b/VERSION
@@ -0,0 +1 @@
+2.16.0