Configuring module compatibility version SVN.r14111
Configuring module base version SVN.r14111 with Boost.FileSystem
Configuring module benchmark version SVN.r14111 with Boost.ProgramOptions
Configuring module RMF version SVN.r14111
Configuring module cgal version SVN.r14111
Configuring module algebra version SVN.r14111 with cgal
Configuring module kernel version SVN.r14111 with Boost.FileSystem
Configuring module display version SVN.r14111 with cgal
Configuring module core version SVN.r14111 with cgal
Configuring module container version SVN.r14111
Configuring module atom version SVN.r14111 with Boost.FileSystem, cgal
Configuring module statistics version SVN.r14111
Configuring module rmf version SVN.r14111
Configuring module domino version SVN.r14111 with RMF
Configuring module em version SVN.r14111
Configuring module saxs version SVN.r14111
Configuring module gsl version SVN.r14111
Configuring module modeller version SVN.r14111
Configuring module restrainer version SVN.r14111
Configuring module multifit version SVN.r14111
Configuring module em2d version SVN.r14111 with OpenCV21
Configuring module misc version SVN.r14111
Configuring module system version SVN.r14111
Configuring module isd version SVN.r14111
Configuring module example version SVN.r14111
Configuring module kmeans version SVN.r14111
Configuring module parallel version SVN.r14111
Configuring module pepdock version SVN.r14111
Configuring module scratch version SVN.r14111
Configuring application EModel2D version SVN.r14111
Configuring application foxs version SVN.r14111
Configuring application integrative_docking version SVN.r14111
Configuring application saxs_tools version SVN.r14111
Configuring application saxs_merge version SVN.r14111
Configuring application em_tools version SVN.r14111
Configuring application ligand_score version SVN.r14111
Configuring application multifit_tools version SVN.r14111
Configuring application rmf_tools version SVN.r14111
Configuring application pdb_tools version SVN.r14111
Configuring application example_app version SVN.r14111
Configuring system Groel version SVN.r14111
Configuring system rnapii version SVN.r14111
Configuring system nup84 version SVN.r14111
Configuring module example_system_local version SVN
Configuring system example_system version SVN.r14111
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/base/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/base/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.base --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/base/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/base/test/test_objects.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/base/test/test_random.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/base_cpp_test_programs.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_base_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/base/test/fast-test.results.out) > /dev/null
Test getting all objects ... ok
Test the random number generator ... ok
Running C++ test basetest_cache ... ok
Running C++ test basetest_pair_memoizer ... ok
Running C++ test basetest_show ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 9 tests in 1.079s

OK
base module unit tests succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/benchmark/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/benchmark/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.benchmark --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/benchmark/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_benchmark_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/benchmark/test/fast-test.results.out) > /dev/null
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 4 tests in 0.013s

OK
benchmark module unit tests succeeded
modules/atom/src/MolecularDynamics.cpp: In member function 'virtual void IMP::atom::MolecularDynamics::assign_velocities(IMP::Float)':
modules/atom/src/MolecularDynamics.cpp:190: warning: 'sampler.boost::variate_generator >::_dist.boost::normal_distribution::_cached_rho' may be used uninitialized in this function
modules/atom/src/MolecularDynamics.cpp:190: warning: 'sampler.boost::variate_generator >::_dist.boost::normal_distribution::_r1' may be used uninitialized in this function
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/librmf/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/examples/adding_data.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/examples/alias.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/examples/create.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/examples/rmf_decorator.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/examples/rmf_xml.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/examples/fast-test.results.out) > /dev/null
Run example adding_data.py ... in 3.530s ... ok
Run example alias.py ... ok
Run example create.py ... ok
Run example rmf_decorator.py ... ok
Run example rmf_xml.py ... ok

----------------------------------------------------------------------
Ran 5 tests in 4.183s

OK
RMF examples succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/librmf/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=RMF --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/test/test_aliases.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/test/test_associations.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/test/test_backwards.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/test/test_bad_geometry.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/test/test_closing.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/test/test_copy.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/test/test_data_types.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/test/test_description.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/test/test_errors.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/test/test_file_level.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/test/test_low_level.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/test/test_multikey.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/test/test_prmf.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/test/test_sets.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/RMF_cpp_test_programs.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/librmf/test/fast-test.results.out) > /dev/null
Test that aliases can be used and resolve ... ok
Test that associations work from python ... ok
Test opening pre-category change files ... ok
Test example where fill was bad ... ok
Test closing an RMF file ... ok
Test copying an rmf file ... in 1.554s ... ok
Test that the various data types work ... ok
Test the description of an rmf file ... ok
Test that opening a non-existent file causes and exception ... ok
Test that opening a file 2x works ... ok
Test creating a simple hierarchy file with frames ... ok
Test creating a simple hierarchy file ... ok
Test null values ... ok
Test arrays of integers ... ok
Test strings data set ... ok
Test strings data set ... ok
Test low level usage of hdf5 with attributes ... ok
Test low level usage of hdf5 with datasets ... ok
Test writing of blocks with data sets ... ok
Test low level usage of hdf5 with datasets that grow ... ok
Test low level usage of hdf5 ... ok
Test creating a simple hierarchy file ... ok
Test copying a rmf file to a prmf file ... skipped 'No google protobuf support'
Test copying a simple rmf file to prmf ... skipped 'No google protobuf support'
Test node sets ... ok
Test node pairs ... ok
Running C++ test RMFtest_associations ... ok

----------------------------------------------------------------------
Ran 27 tests in 2.536s

OK (skipped=2)
RMF module unit tests succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/algebra/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/examples/geometry.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/examples/grid_space.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/examples/fast-test.results.out) > /dev/null
Run example geometry.py ... ok
Run example grid_space.py ... ok

----------------------------------------------------------------------
Ran 2 tests in 0.021s

OK
algebra examples succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/algebra/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.algebra --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_bounding_box.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_cone.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_cylinder.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_dynamic_nn.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_eigen_analysis.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_geom_alignment.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_grid.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_inverse.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_log_grid.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_matrix2d.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_matrix3d.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_nearest_neighbor.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_random_ball.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_random_chain.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_random_rotations.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_regression_fit.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_rigid_transformation.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_rotation.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_shortest_segment.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_sphere.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_sphere_cover.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_sphere_patch.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_spherical_coords.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_transformation.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_triangle3d.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_uniform_rotation.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_vector3d.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_vector4d.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_vector_on_box.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_vectorkd.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_vol.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_xyz.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_zyz.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/algebra_cpp_test_programs.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_algebra_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/fast-test.results.out) > /dev/null
Check that the bounding box is constructed correctly ... ok
Check the union function ... ok
Check that cones on Z are constructed correctly ... ok
Testing sampling a patch ... ok
Check Cylinder3D construction from vectors ... ok
Check grid cover when the direction of the ... ok
Check grid cover when the center of cylinder ... ok
Check grid cover when the direction of the ... ok
Check uniform cover with cylinder not on the Z axis ... ok
Check whether the cylinder volume is uniformly sampled ... in 1.914s ... ok
Check that dynamic nearest neighbor queries work ... ok
Testing eigen analysis ... ok
Testing eigen analysis ... ok
Testing that the eigen values are invariante to rotation ... ok
Testing rigid alignment of point sets, no translation ... ok
Testing rigid alignment of point sets ... ok
Check sparse grid of ints ... ok
Check that the the inverse of a transformation works ... ok
Test mixed log embedding ... ok
Check sparse grid of ints ... ok
Check Matrix2D access ... ok
Check Matrix2D addition ... ok
Check cross_correlation of Matrix2D with itself ... ok
Check cross_correlation matrices with different origins ... ok
Check Matrix2D division ... ok
Check Matrix2D multiplication ... ok
Check Matrix2D scalar addition ... ok
Check Matrix2D scalar division ... ok
Check Matrix2D scalar multiplication ... ok
Check Matrix2D scalar subtraction ... ok
Check proper creation and resizing ... ok
Check Matrix2D subtraction ... ok
Check writing an empty matrix ... ok
Check Matrix3D access ... ok
Check Matrix3D addition ... ok
Check cross_correlation of Matrix3D with itself ... ok
Check cross_correlation of 3D matrices with different origins ... ok
Check Matrix3D division ... ok
Check Matrix3D multiplication ... ok
Check Matrix3D scalar addition ... ok
Check Matrix3D scalar division ... ok
Check Matrix3D scalar multiplication ... ok
Check Matrix3D scalar subtraction ... ok
Check proper creation and resizing ... ok
Check Matrix3D subtraction ... ok
Check that nearest neighbor works ... ok
Check that NN queries work ... ok
Testing the creation of a points on a sphere ... ok
Testing the creation of a points on a sphere ... ok
Testing the creation of a random chain ... ok
Testing the creation of a random chain with obstacles ... ok
Test uniform random rotation ... skipped 'IMP.cgal module disabled'
Check Linear Fit ... ok
Check Parabolic Fit ... ok
Check weighted Linear Fit ... ok
Check weighted Linear Fit ... ok
Check that the delta transformation between two transformations is correct ... ok
Check that the rotation function is ok ... ok
Check rotation about axis ... ok
Check the quaternion derivatives ... FAIL
Check that the function get_axis_and_angle is correct ... ok
Check that rotations can be interpolated ... ok
Check that two rotations are equal ... ok
Check that the rotation inverse is an inverse ... ok
Check that the rotation between two vectors is correct ... ok
Check rotation about axis ... ok
Check degenerate shortest segments of segments ... ok
Check enclosing sphere ... ok
Verify uniform sampling within a sphere ... ok
Check that sphere are constructed correctly ... ok
Check uniform cover on a sphere ... ok
Check uniform cover when the the center is not on (0,0,0) ... ok
Check uniform cover on a patch of a sphere ... ok
Check that a patch of a sphere is constructed correctly ... ok
Check that spherical coords work ... ok
Check difference between two transformations ... ok
Check that Z coordinate stays zero after transformation ... ok
Check calculating a transformation between two reference frames ... ok
Check building a Transformation2D from point sets ... ok
Check building a Transformation3D from Transformation2D ... ok
Check that triangles constructed correctly ... ok
test conversion of euler angles ... ok
test_euler_sampling (_test_26.UniformRotationSmaplingTest) ... ok
Check Vector3D addition ... ok
Test that vectors can't be compared ... ok
Check Vector3D components ... ok
Check Vector3D difference ... ok
Check distance between two vectors ... ok
Check Vector3D from floats ... ok
Check the Vector3D generators ... ok
Check I/O of Vector3Ds ... ok
Check Vector3D length ... ok
Check Vector3D magnitude ... ok
Check that multiplying vectors by scalars works ... ok
Check Vector3D division by a scalar ... ok
Check Vector3D multiplication by a scalar ... ok
Check Vector3D scalar product ... ok
Check vector 3D show ... ok
Check Vector3D vector product ... ok
Check Vector4D addition ... ok
Check Vector4D components ... ok
Check Vector4D difference ... ok
Check Vector4D length ... ok
Check Vector4D magnitude ... ok
Check creation of a rotation from a 4D vector ... ok
Check Vector4D division by a scalar ... ok
Check Vector4D multiplication by a scalar ... ok
Check Vector4D scalar product ... ok
Testing the distribution of vectors on a box ... ok
Check VectorKD addition ... ok
Check VectorKD components ... ok
Check VectorKD difference ... ok
Check VectorKD length ... ok
Check VectorKD magnitude ... ok
Check VectorKD division by a scalar ... ok
Check VectorKD multiplication by a scalar ... ok
Check VectorKD scalar product ... ok
Check volume and surface area of random ... skipped 'IMP.cgal module disabled'
Check Euler XYZ conversions ... ok
Check Euler ZYZ conversions ... ok
Running C++ test algebratest_grid ... in 1.020s ... ok
Running C++ test algebratest_grid_apply ... ok
Running C++ test algebratest_grid_storage ... ok
Running C++ test algebratest_piecewise_linear ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... in 1.024s ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

======================================================================
FAIL: Check the quaternion derivatives
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/algebra/test/test_rotation.py", line 103, in test_deriv
    self.assertAlmostEqual(d, ad, delta=.05)
AssertionError: 0.24555510462203656 != -0.24278285488972992 within 0.050000000000000003 delta

----------------------------------------------------------------------
Ran 128 tests in 7.290s

FAILED (failures=1, skipped=2)
scons: *** Error 1
algebra module unit tests FAILED
Running algebra module unit tests
scons: *** [modules/algebra/test/fast-test.results] Error 1
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/kernel/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/examples/basic_optimization.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/examples/chain.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/examples/dependency_graph.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/examples/dock_with_crosslinks.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/examples/graph.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/examples/nup84_cg.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/examples/nup84_rb.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/examples/write_a_restraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/examples/write_an_optimizer_state.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/examples/fast-test.results.out) > /dev/null
Run example basic_optimization.py ... in 3.927s ... ok
Run example chain.py ... ok
Run example dependency_graph.py ... The dot command from the graphviz package was not found. Please make sure it is in the PATH passed to IMP.
The dot command from the graphviz package was not found. Please make sure it is in the PATH passed to IMP.
in 2.626s ... ok
Run example dock_with_crosslinks.py ... ok
Run example graph.py ... The dot command from the graphviz package was not found. Please make sure it is in the PATH passed to IMP.
The dot command from the graphviz package was not found. Please make sure it is in the PATH passed to IMP.
The dot command from the graphviz package was not found. Please make sure it is in the PATH passed to IMP.
ok
Run example nup84_cg.py ... ok
Run example nup84_rb.py ... in 12.052s ... ok
Run example write_a_restraint.py ... ok
Run example write_an_optimizer_state.py ... ok

----------------------------------------------------------------------
Ran 9 tests in 19.375s

OK
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
Restraint 0
Restraint 0 scoring
kernel examples succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/kernel/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/test/test_comparisons.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/test/test_config_set.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/test/test_dependency_graph.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/test/test_directories.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/test/test_exceptions.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/test/test_file.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/test/test_key.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/test/test_log.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/test/test_model.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/test/test_particle_tuples.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/test/test_particles.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/test/test_refcount.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/test/test_restraint_sets.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/test/test_score_state.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/test/test_scoreing_function.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/test/test_temp_scoring.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/test/test_typemaps.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/kernel_cpp_test_programs.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_kernel_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/test/fast-test.results.out) > /dev/null
Test comparisons in python ... ok
Testing restore a know state with ConfigurationSet ... ok
Testing no-ops with the ConfigurationSet ... ok
Testing restore with ConfigurationSet ... ok
Test dependency graph ... ok
get_data_directory should raise an error if it does not exist ... ok
Test the get_data_directory function ... ok
Test class hierarchy of IMP exceptions ... ok
Test bad paths trigger IO exceptions with overloads ... ok
Test that conversions to input files work properly ... ok
Test that conversions to output files work properly ... ok
Test temporary files ... ok
Test key aliases ... ok
Test function log looks ok ... ok
Test log targets ... ok
Test log targets at MEMORY log level ... ok
Test time log looks ok ... ok
Check dependencies with restraints and score states ... ok
Check that exceptions raised in directors are handled ... ok
Check particle methods ... ok
Test float attribute ranges ... ok
Refcounting should prevent director Restraints from being deleted ... ok
Refcounting should prevent director ScoreStates from being deleted ... ok
Check restraint methods ... ok
Check score state methods ... ok
Check Model.show() method ... ok
Test score state show method ... ok
Check free restraint methods ... ok
Test ParticlePair objects ... ok
Test ParticleQuad objects ... ok
Test ParticleTriplet objects ... ok
Test browsing of particle attributes ... ok
Test comparisons of particles and decorators ... ok
Test get/set of derivatives ... ok
Check particle identity ... ok
Test particle get_ and set_ methods ... ok
Check that particles and decorators hash in python ... ok
Test that we can allocate many particles ... in 3.147s ... ok
Check that operations fail on particles once the model is gone ... ok
Test that particle attributes are available and correct ... ok
Test that attributes can be removed ... ok
Python Particles from vector accessors should survive model deletion ... ok
Python Restraints from vector accessors should survive model deletion ... ok
Python restraints from vector accessors should survive model deletion ... ok
Constructed Python Particles should survive model deletion ... ok
Python Restraints from iterators should survive model deletion ... ok
Check that ref counting works with removing particles ... ok
Test that sequences are refcounted properly ... ok
Check that ref counting of particles works within python ... ok
Check reference counting of restraints ... ok
Check that removed particles are skipped ... ok
Test evaluate() of RestraintSets and their children ... ok
Test restraints added multiple times ... ok
Test that sets can be printed ... ok
Test that restraints are usable after set is destroyed ... ok
Check access to RestraintSet's restraints ... ok
Test ScoreState::show() ... ok
Test scoring function linkage ... ok
Check that scoring functions are cleaned up ... FAIL
Check float typemaps ... ok
Check int typemaps ... ok
Check ints list typemaps ... ok
Check ints lists typemaps ... ok
Check string typemaps ... ok
Test that casting objects works ... ok
Check floatkey typemaps ... ok
Check decorators ... ok
Checking decorator conversions work ... ok
Checking conversion of decorators to particles ... ok
Checking conversion of decorator to particle ... ok
Check decorators traits ... ok
Test that decorator particle methods can be called ... ok
Test director methods in restraint ... ok
Checking bad list ... ok
Check int pairs typemap ... ok
Test that model objects can get passed from python ... ok
Check particle typemaps ... ok
Checking that overloading works ... ok
Check overloaded functions with decorators ... ok
Checking that conversion to/from pairs is OK ... ok
Checking that conversion from IntRange is OK with overload ... ok
Check pairs ... ok
Test that decorators provide particle methods ... ok
test_particles_temps (_test_17.ParticleTests) ... ok
Checking tuple conversions work ... ok
Running C++ test kerneltest_memory ... ok
Running C++ test kerneltest_pdb ... ok
Running C++ test kerneltest_stream_io ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... in 1.005s ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

======================================================================
FAIL: Check that scoring functions are cleaned up
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/kernel/test/test_temp_scoring.py", line 37, in test_temp_restraints
    dirchk.assert_number(2)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/test/__init__.py", line 728, in assert_number
    str(newnames))
AssertionError: 3 != 2 : Number of objects don't match: 3 != 2 found ['Model 43']

----------------------------------------------------------------------
Ran 92 tests in 5.098s

FAILED (failures=1)
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
P1
P7
P0
P0
P11
P3
P8
Model 24
Model 28
P4
P11
P9
dummy
P10
P3
P3
P3
P1
P2
Model 22
P2
P4
P5
P6
P2
P5
P9
P11
P10
P4
P0
P6
P5
P7
P8
P10
P6
P9
P11
P3
P4
Restraint 10
P7
Model 20
P6
P2
P7
P9
P6
P8
P1
P2
Model 27
P10
P5
P3
P8
P5
P0
P3
P5
P9
Model 23
dummy scoring
P1
P2
P7
P8
P12
P9
P4
P5
P10
P10
P0
P5
P11
P7
P4
P10
Model 18
P6
P2
P7
P9
P8
P1
P4
P13
P9
P11
P11
P0
P3
P2
P4
P2
P3
P0
P10
P11
P11
Restraint 10 scoring
P1
P4
P6
P1
P1
dummy scoring
P6
P0
Model 21
P8
P1
P6
P5
P6
P4
P2
P8
P7
P3
P0
P7
P7
P8
P1
P11
P0
dummy
P5
P9
P10
P8
P9
P10
Model 19
scons: *** Error 1
kernel module unit tests FAILED
Running kernel module unit tests
scons: *** [modules/kernel/test/fast-test.results] Error 1
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/display/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/display/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/display/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/display/examples/basic_geometry.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/display/examples/display_log.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/display/examples/displaying_ensembles.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/display/examples/show_particles_as_spheres.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/display/examples/fast-test.results.out) > /dev/null
Run example basic_geometry.py ... ok
Run example display_log.py ... in 1.098s ... ok
Run example displaying_ensembles.py ... in 22.014s ... ok
Run example show_particles_as_spheres.py ... ok

----------------------------------------------------------------------
Ran 4 tests in 23.163s

OK
display examples succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/display/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/display/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.display --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/display/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/display/test/test_chimera.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/display/test/test_cmm.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/display/test/test_colormap.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/display/test/test_create_writer.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/display/test/test_isosurface.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/display/test/test_log.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/display/test/test_mesh.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/display/test/test_pivy.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/display/test/test_polygon.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/display/test/test_pymol.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/display/test/test_textwriter.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/display/test/test_writers.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_display_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/display/test/fast-test.results.out) > /dev/null
Testing the Chimera writer and frames ... ok
Testing the CMM writer without frames ... ok
Testing the CMM writer with a singlet file but frames ... ok
Testing the CMM writer and frames ... ok
Testing the jet color map ... ok
Testing the writer creater ... ok
Testing isosurface geometry ... skipped 'IMP.cgal module disabled'
Testing the Bild log ... ok
Testing the CMM log ... ok
Testing skin surface ... skipped 'IMP.cgal is disabled'
Testing the pivy writer and frames ... skipped 'pivy Python module unavailable'
Testing polygon decomposition and writing ... skipped 'IMP.cgal module disabled'
Testing trivial polygon decomposition and writing ... skipped 'IMP.cgal module disabled'
Testing the CGO writer and frames ... ok
Testing the text writer ... ok
Testing the CMM writer ... ok
Testing the Bild writer ... ok
Testing the chimera writer ... ok
Testing the CGO writer ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 23 tests in 1.266s

OK (skipped=5)
display module unit tests succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/core/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/core/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/examples/XYZR_Decorator.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/examples/XYZ_Decorator.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/examples/connectivity_restraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/examples/cover_particles.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/examples/excluded_volume.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/examples/incremental_mc.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/examples/ms_connectivity_restraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/examples/optimize_balls.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/examples/pair_restraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/examples/restrain_diameter.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/examples/rigid_bodies.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/examples/rigid_collisions.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/examples/symmetry.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/core/examples/fast-test.results.out) > /dev/null
Run example XYZR_Decorator.py ... ok
Run example XYZ_Decorator.py ... ok
Run example connectivity_restraint.py ... ok
Run example cover_particles.py ... ok
Run example excluded_volume.py ... ok
Run example incremental_mc.py ... in 1.301s ... ok
Run example ms_connectivity_restraint.py ... ok
Run example optimize_balls.py ... in 30.993s ... ok
Run example pair_restraint.py ... ok
Run example restrain_diameter.py ... ok
Run example rigid_bodies.py ... in 5.313s ... ok
Run example rigid_collisions.py ... ok
Run example symmetry.py ... ok

----------------------------------------------------------------------
Ran 13 tests in 39.068s

OK
core examples succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/core/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.core --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_angle.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_blame.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_box.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_centroid.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_cg_optimizer.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_children.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_close_pair_finders.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_close_pairs_ps.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_connectivity.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_cosine.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_cover.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_cover_refiner.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_destroy_rigid_body.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_diameter.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_dihedral.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_display_deriv.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_distance.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_ev.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_geom_alignment.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_get_from.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_harmonic.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_hierarchy.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_incremenal_mc.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_incremenal_scoring.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_linear.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_mccg.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_ms_connectivity.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_nested_rigid_bodies.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_refined_pairs_ps.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_restraints_scoring_function.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_rigid_bodies.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_rigid_distance.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_score_log.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_sd_optimizer.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_splines.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_table.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_to_from_refined.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_transform.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_transform_particles.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_truncated_harmonic.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_typed_pair_score.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/test_xyzr.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/core_cpp_test_programs.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_core_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/core/test/fast-test.results.out) > /dev/null
Check derivatives of angle restraints ... ok
Check score of angle restraints ... ok
Check AngleRestraint::show() method ... ok
Check that code to display blame runs ... ok
Test the box score ... ok
Test centroid of refined decorator ... ok
Check that we can optimize the Woods function with CG ... ok
Make sure the Children refiner works ... ok
Testing GridClosePairsFinder ... in 2.699s ... ok
Testing NearestNeighborsClosePairsFinder ... in 2.665s ... ok
Testing QuadraticClosePairsFinder ... in 2.599s ... ok
Testing RigidClosePairsFinder ... in 1.675s ... ok
Testing BoxSweepClosePairsFinder ... in 2.721s ... ok
Checking close pairs pair score ... ok
Checking k-close pairs pair score ... ok
Test connectivity restraint. ... ok
Test that cosine values are correct ... ok
Test cover refined ... ok
Test cover refined decorator ... ok
Testing destroy rigid body ... ok
Test that diameter restraints are reasonable ... ok
Check score of dihedral restraints ... ok
Testing execution of derivative display support ... ok
Test that distance restraints are reasonable ... ok
Test filters on excluded volume ... The dot command from the graphviz package was not found. Please make sure it is in the PATH passed to IMP.
ok
Testing rigid alignment of xyz sets ... ok
Test get_from cast ... ok
Test get_from with NULL pointer ... ok
Test Harmonic accessors ... ok
Check Harmonic::show() method ... ok
Test that harmonic values are correct ... ok
Check that an alternate hierarchy works fine ... ok
Check that the hierarchy works fine ... ok
Testing incremental scoring with Monte Carlo ... in 3.730s ... ok
Testing incremental scoring with Monte Carlo and a nbl ... in 2.450s ... ok
Testing incremental scoring with non-bonded ... ok
Testing incremental scoring with rigid bodies ... The dot command from the graphviz package was not found. Please make sure it is in the PATH passed to IMP.
ok
Testing incremental scoring ... ok
Test Linear accessors ... ok
Check Linear::show() method ... ok
Test that linear values are correct ... ok
Check that MCCG can make spheres connect not penetrate ... ok
Test for the connectivity restraint. ... ok
Test for the correctness of the graph 1. ... ok
Test for the correctness of the graph 2. ... ok
Test nested rigid bodies and close pairs ... ok
Checking refine pairs pair score ... ok
Test that restraints decompose ok ... ok
Test that sets can be weighted ... ok
Testing create_rigid_body ... ok
Testing create_rigid_bodies ... ok
Testing tearing down rigid bodies ... ok
Checking rigid distance pair score ... ok
Checking rigid distance pair score against one ... ok
Test restraint score log ... ok
Test that steepest descent optimizer brings particles together ... ok
Test that steepest descent optimizer spreads particles apart ... ok
Test that spline-interpolated values are correct ... ok
Test for spline out of range condition ... ok
Check cubic spline show() methods ... ok
Make sure the Table PR works ... ok
Test copying derivatives from refined ... ok
Test copying derivatives to refined ... ok
Test the transform pair score basics ... ok
Test the transform pair score optimization ... ok
Test the TransformationFunction class ... ok
Check TruncatedHarmonicLowerBound ... ok
Check TruncatedHarmonicUpperBound ... ok
Check TruncatedHarmonicBound ... ok
Check TypedPairScore::evaluate() ... ok
Check TypedPairScore behavior with invalid particle types ... ok
Testing XYZR decorators ... ok
Testing XYZR overload decorators ... ok
Running C++ test coretest_generic ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... in 2.209s ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 78 tests in 23.748s

OK
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
UnaryFunction185
DistancePairScore 99
Model 71
P1
UnaryFunction186
P0
P2
TupleRestraint 90
DistancePairScore 83
Model 68
UnaryFunction151
DistancePairScore 96
P3
P3
UnaryFunction156
DistancePairScore 100
TupleRestraint 89
MSConnectivityRestraint 0
Model 56
UnaryFunction204
UnaryFunction154
TupleRestraint 83
P5
P5
MSConnectivityRestraint 1
P1
DistancePairScore 90
P2
P4
distance_rsrs
TupleRestraint 97
DistancePairScore 76
P2
MSConnectivityRestraint 4
UnaryFunction158
P2
UnaryFunction206
P3
DistancePairScore 97
UnaryFunction161
P3
Model 73
UnaryFunction209
P1
TupleRestraint 86
UnaryFunction162
P0
UnaryFunction150
DistancePairScore 94
MSConnectivityRestraint 3
msconnectivity list
DistancePairScore 81
DistancePairScore 85
UnaryFunction155
DistancePairScore 101
msconnectivity list
DistancePairScore 84
MSConnectivityRestraint 2
P4
P5
TupleRestraint 77
UnaryFunction166
DistancePairScore 88
DistancePairScore 82
DistancePairScore 80
TupleRestraint 75
P1
P3
DistancePairScore 87
DistancePairScore 95
DistancePairScore 75
UnaryFunction207
TupleRestraint 87
P6
Model 70
TupleRestraint 92
P1
TupleRestraint 88
P6
ModelScoringFunction22
TupleRestraint 85
TupleRestraint 91
UnaryFunction160
UnaryFunction153
P0
UnaryFunction159
UnaryFunction163
Model 84
UnaryFunction167
P5
P2
DistancePairScore 79
UnaryFunction208
TupleRestraint 79
P5
P1
TupleRestraint 80
msconnectivity list
TupleRestraint 84
DistancePairScore 78
UnaryFunction164
P2
P2
msconnectivity list
P1
DistancePairScore 98
DistancePairScore 93
P7
TupleRestraint 94
DistancePairScore 92
P0
P0
P6
Optimizer0
P0
P2
DistancePairScore 89
P0
Model 85
P0
TupleRestraint 95
msconnectivity list
DistancePairScore 86
P4
P4
UnaryFunction152
DistancePairScore 91
TupleRestraint 96
UnaryFunction165
Model 69
TupleRestraint 76
P0
UnaryFunction187
P7
P4
TupleRestraint 81
MSConnectivityRestraint 5
TupleRestraint 78
UnaryFunction157
P1
Model 72
TupleRestraint 82
ModelScoringFunction21
P2
P1
P7
UnaryFunction205
P3
TupleRestraint 74
Optimizer1
TupleRestraint 93
P5
msconnectivity list
P4
DistancePairScore 77
distance_rsrs
core module unit tests succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/container/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/container/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/container/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/container/examples/bipartite_nonbonded_interactions.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/container/examples/connectivity.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/container/examples/filter_close_pairs.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/container/examples/nonbonded_interactions.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/container/examples/restrain_in_sphere.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/container/examples/fast-test.results.out) > /dev/null
Run example bipartite_nonbonded_interactions.py ... ok
Run example connectivity.py ... ok
Run example filter_close_pairs.py ... ok
Run example nonbonded_interactions.py ... ok
Run example restrain_in_sphere.py ... ok

----------------------------------------------------------------------
Ran 5 tests in 0.405s

OK
container examples succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/container/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/container/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.container --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/container/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/container/test/test_all_pairs.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/container/test/test_close_bipartite_pairs_score_state.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/container/test/test_close_pairs_score_state.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/container/test/test_connectivity_container.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/container/test/test_consecutive_pair_container.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/container/test/test_decomp.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/container/test/test_distribute.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/container/test/test_events.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/container/test/test_particle_pair_restraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/container/test/test_particle_pair_state.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/container/test/test_particle_restraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/container/test/test_particle_state.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/container/test/test_removes.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/container_cpp_test_programs.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_container_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/container/test/fast-test.results.out) > /dev/null
Check AllPairContainer ... in 1.588s ... ok
Testing that CloseBipartitePairContainer responds to changes in filters ... ok
Test CloseBipartitePairContainer ... ok
Test CloseBipartitePairContainer with rigid body 0 ... ok
test_it_2 (_test_2.Tests) ... ok
Test CloseBipartitePairContainer with rigid body 2 ... ok
Test ClosePairContainer ... ok
Test ClosePairContainer with a restraint ... ok
Test ClosePairContainer over time ... in 1.942s ... ok
Test ClosePairContainer complete list over time ... in 1.658s ... ok
Test ClosePairContainer with rigid finder ... in 6.014s ... ok
Test connectivity zero set ... ok
Test connectivity ... ok
Test consecutive pair container decomposition ... ok
Checking decomposition of plural restraints ... ok
Checking distribute particles ... ok
Check the event optimizer states ... ok
Test the MinimumPairRestraint ... ok
Test the MinimumPairScore ... ok
Test the PairsRestraint ... ok
Testing PairContainerSet ... ok
Test the PairRestraint ... ok
Testing PairsConstraint ... ok
Testing PairConstraint ... ok
Test the MinimumSingletonRestraint ... ok
Test the MinimumSingletonScore ... ok
Test the SingletonsRestraint ... ok
Testing SingletonContainerSet ... ok
Test the SingletonRestraint ... ok
Testing SingletonsConstraint ... ok
Testing SingletonConstraint ... ok
Check that removal from a list container works and removal from model ... ok
Running C++ test containertest_consecutive_pair_container ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... in 1.555s ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 37 tests in 15.484s

OK
container module unit tests succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/atom/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/examples/assess_dope.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/examples/brownian_statistics.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/examples/cg_pdb.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/examples/charmm_forcefield.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/examples/charmm_forcefield_verbose.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/examples/load_protein_restrain_bonds.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/examples/markers.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/examples/molecular_hierarchy.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/examples/rigid_brownian_dynamics.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/examples/score_protein_with_ligand.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/examples/structure_from_sequence.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/examples/fast-test.results.out) > /dev/null
Run example assess_dope.py ... in 3.555s ... ok
Run example brownian_statistics.py ... ok
Run example cg_pdb.py ... in 1.105s ... ok
Run example charmm_forcefield.py ... in 12.795s ... ok
Run example charmm_forcefield_verbose.py ... in 12.970s ... ok
Run example load_protein_restrain_bonds.py ... ok
Run example markers.py ... ok
Run example molecular_hierarchy.py ... in 6.753s ... ok
Run example rigid_brownian_dynamics.py ... in 6.061s ... ok
Run example score_protein_with_ligand.py ... in 49.770s ... ok
Run example structure_from_sequence.py ... ok

----------------------------------------------------------------------
Ran 11 tests in 94.672s

OK
atom examples succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/atom/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.atom --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_bd_singleton_score.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_bond_decorator_particle_pair_container.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_bond_refiner.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_bonds.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_charged_decorator.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_charmm_atom.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_charmm_parameters.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_charmm_stereochemistry.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_charmm_topology.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_clone.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_coulomb.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_cover.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_cover_bond.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_create_protein.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_dihedrals.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_distance.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_dna_simpl.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_element.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_estimates.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_force_switch.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_fragment.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_free_model.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_get_residue.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_hierarchy.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_hierarchy_conversion.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_hierarchy_navigation.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_lennard_jones_decorator.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_lennard_jones_pair_score.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_md_optimizer.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_md_states.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_mol2.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_pattern.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_pdb.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_pdb_frames.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_pdb_string.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_protein_ligand_score.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_rb_bd.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_ref_optimizer_states.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_refcount_hierarchy.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_residue.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_residue_type.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_rg.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_rigid_alignment_with_rigid_bodies.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_rmsd_and_no.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_simplify.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/test_stereo_pair_filter.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_atom_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/atom/test/fast-test.results.out) > /dev/null
Test derivatives of the bond SingletonScore ... ok
Test the bond decorator score ... ok
Test bond decorator pair container ... ok
Check that BondRefiner works ... ok
Check bonds ... ok
Check creation of Charged decorators ... ok
Check get/set methods of Charged decorators ... ok
Check show method of Charged decorators ... ok
Check creation of CHARMMAtom decorators ... ok
Check get/set methods of CHARMMAtom decorators ... ok
Check show method of CHARMMAtom decorators ... ok
Check alternate CHARMM keywords ... ok
Check extraction of bond parameters ... ok
Test that new atom types from CHARMM get elements assigned ... ok
Check mapping of CHARMM names to PDB ... ok
Check read and lookup of RNA/DNA ... ok
Check parsing of topology file ... ok
Make sure that splitting works with tabs ... ok
Test CHARMMStereochemistryRestraint pair filter ... ok
Test CHARMMStereochemistryRestraint input particles ... ok
Test CHARMMStereochemistryRestraint::evaluate() ... ok
Check addition of bonds/angles/dihedrals/impropers ... ok
Test adding coordinates to a backbone- or CA-only structure ... ok
Test adding coordinates to a completely empty structure ... ok
Test add_dihedrals() method ... ok
Check add/get atom from CHARMM residues ... ok
Check addition of internal coordinates ... ok
Test adding missing atoms ... ok
Test CHARMMTopology::add_sequence() ... ok
Check creation and methods of CHARMMAtomTopology ... ok
Check CHARMM bond class ... ok
Check CHARMM bond endpoint class ... ok
Check default patches of CHARMM residues ... ok
Check delete atom from CHARMM residues ... ok
Make sure dihedrals can have negative stiffness ... ok
Test application of two-residue patches ... ok
Test construction of hierarchy from empty topology ... ok
Test adding/getting patches and residues to/from forcefields ... ok
Test read of topology from files ... ok
Test CHARMMTopology::get_parameters() ... ok
Test get or removal of untyped atoms ... ok
Test CHARMM topology handling of HEME residues ... ok
Test construction of hierarchy from topology ... ok
Test construction of topology with manual patching ... ok
Test construction of topology ... in 3.592s ... ok
Test manual construction of topology ... ok
Check the CHARMM patch class ... ok
Test CHARMM residue topology objects ... ok
Test CHARMMTopology::setup_hierarchy() method ... ok
Test application of single-residue patches ... ok
Check close and destroy Hierarchy ... ok
Destroy of a child should update the parent ... ok
Check derivatives of CoulombPairScore ... ok
Check CoulombPairScore get/set methods ... ok
Check smoothing of CoulombPairScore ... ok
Check score value of CoulombPairScore ... ok
Check cover from selection ... in 1.061s ... ok
Check cover from rigid selection ... in 5.250s ... ok
Test cover bond ... ok
Test dihedral functions ... ok
Test drms measure taking into account rigid bodies ... in 2.087s ... ok
Testing that component placement score returns the same transformation if called twice ... in 2.192s ... ok
Test drms measure ... in 1.792s ... ok
Testing the mass and volume estimates ... ok
Test simplifying DNA ... ok
Test simplifying DNA 2 ... ok
Check element assignment based on atom name ... ok
Check assigning elements and masses to pdb with one protein ... ok
Check writing to pdb unknown elements ... ok
Testing the diffusion coeff estimate ... ok
Testing the mass and volume estimates ... ok
Check ForceSwitch creation ... ok
Check derivatives of ForceSwitch ... ok
Check ForceSwitch methods ... ok
Check value of ForceSwitch ... ok
Check Fragment ... ok
Check that deleting the model doesn't make things crash ... skipped 'Only tested in debug mode'
Check getting a residue from a cg protein ... ok
Check getting a residue from an atomic protein ... ok
Check equality of AtomType types ... ok
Check hierarchy get_by_type ... ok
Check hierarchy get_internal_bonds ... ok
Test conversion from atom.hierarchy ... ok
Check reading a pdb with one protein ... ok
Check creation of LennardJones decorators ... ok
Check get/set methods of LennardJones decorators ... ok
Check show method of LennardJones decorators ... ok
Check derivatives of LennardJonesPairScore ... ok
Check LennardJonesPairScore get/set methods ... ok
Check smoothing of LennardJonesPairScore ... ok
Check score value of LennardJonesPairScore ... ok
Test get_optimizer_states() method ... ok
Test that MD generates particle velocities ... ok
Should skip particles without xyz attributes ... ok
Check that non-rigid MD translation is Newtonian ... ok
Test thermostatting by velocity rescaling ... ok
Check temperature ... ok
Check that velocity capping works ... ok
Test Berendsen thermostat ... ok
Test Langevin thermostat ... ok
Ensure that rigid removal works with a 1-particle system ... ok
Ensure that rigid rotation is removed ... ok
Ensure that rigid translation is removed ... ok
Check that written mol2s look right ... ok
Check reading a mol2 file containing small molecules ... ok
Check that a mol2-created hierarchy can be written to a PDB ... ok
Check use of Selection ... ok
Check that read_pdb behaves OK on invalid files ... ok
Check that only the first model is read ... ok
Test PDBSelectors implemented in Python ... ok
Check reading a pdb with one protein ... in 2.065s ... ok
Check that the Hydrogen selector can identify all hydrogens ... ok
Check that problem lines are read properly ... ok
Check that the default pdb reader skips waters ... ok
Check that only the first model is read ... ok
Reading of successive models from a pdb ... ok
Test that PDB atom names are not mangled ... ok
Make sure that atom names are padded correctly in PDB files ... ok
Test that all fields are read from PDB ATOM records ... ok
Test that we can read PDB ATOM record with coordinates only ... ok
Simple test of writing a PDB ... ok
Test protein ligand restraint 2 ... in 4.080s ... ok
Check brownian dynamics with rigid bodies ... in 3.335s ... ok
OptimizerStates from vector accessors should survive Optimizer del. ... ok
Constructed Python states should survive optimizer deletion ... ok
Check reference counting of OptimizerStates ... ok
Check that pdbs with rigid bodies don't have circular ref counts ... ok
Check Residue get_is_*() methods ... ok
Check equality of ResidueType types ... ok
Check get residue type from one-letter code ... ok
Check radius of gyration of a ball ... ok
Check radius of gyration with two balls ... in 1.367s ... ok
Check radius of gyration ... ok
Rigid aligment with rigid bodies ... in 6.785s ... ok
Rigid aligment without rigid bodies ... ok
Testing proper results for RMSD ... ok
Testing proper results for native overlap ... ok
Testing proper results for RMSD ... ok
Test RMSD for vectors and XYZs ... ok
Test protein simplification by residues ... in 1.289s ... ok
Test protein simplification by segments ... ok
Check the StereochemistryPairFilter exclusions ... ok
Check StereochemistryPairFilter input particles ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... in 1.620s ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 147 tests in 50.392s

OK (skipped=1)
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
P257
Model 68
P301
P449
P222
P430
P78
P94
P322
P367
P389
P147
P466
P33
P95
P484
P212
P313
P343
P162
P60
P3
P309
P149
P190
P63
P469
P52
P95
Model 66
P25
P73
P141
P36
P98
P114
P53
P58
P302
P450
P238
P360
P256
P99
P183
P485
P82
P156
P223
P55
P344
P76
P163
P323
P368
P69
P390
P148
P96
P213
P314
P0
P115
P191
P391
P470
P26
P142
P184
P131
P303
P42
P451
P224
P324
P9
P14
P486
P214
P157
Model 70
P345
P164
P431
P369
P192
P392
P66
P471
P315
P143
P18
P96
Model 69
P116
P235
P67
P359
P97
P259
P90
P20
P452
P185
P84
P52
P61
P258
P487
P100
P91
P6
P225
P346
P165
P325
P370
P48
P269
P2
P51
P117
P432
P193
P260
P393
P472
P4
P186
P176
P69
P226
P361
P326
P50
P273
P74
P73
P51
Restraint 0
P76
P488
P92
P347
P166
P242
P371
P194
P153
P93
P81
P394
P261
P474
P118
P433
P262
P56
P178
P70
P10
P7
P57
MD 1
P187
P275
P152
P489
P227
P348
P167
P362
P243
P327
P372
P0
P34
P16
P19
P50
P119
P434
P25
P195
P34
P54
P395
P473
P188
P35
P228
OptimizerState 1
P87
P328
P274
P363
P490
P79
P272
P97
P0
P349
P168
P244
P373
P196
P175
P364
P77
P396
P5
P31
P1
P120
P435
P416
ModelScoringFunction1
P78
P57
P83
ModelScoringFunction6
P67
P150
P154
P491
P98
P350
P169
P245
P329
P68
P35
P374
P0
P498
P7
P288
P121
P436
P197
P397
P158
P417
P80
P99
P58
P330
P280
P229
P492
P79
P9
P316
P351
P170
P246
P60
P375
P198
P499
P43
P289
P437
P418
MD 6
MD 5
P100
P159
P53
Restraint 1
P281
P30
P493
P54
P317
P59
P20
P352
P171
P247
P464
P331
P376
P0
P230
P151
P174
P500
P15
P290
P40
P438
P199
P1
P11
P101
P17
P453
P398
P17
P419
P55
P282
P399
P160
P332
P64
P494
P38
P318
P155
P353
P172
P248
P377
P200
P39
P27
P467
P102
P231
P14
P202
P291
P28
P0
P439
P420
P38
OptimizerState 3
P77
P161
P454
ModelScoringFunction2
P12
P400
P319
P283
P495
MD 2
P84
P56
P354
P249
P333
OptimizerState 2
P378
P16
P107
P103
P5
P74
MD 4
P475
P40
P292
P440
P201
P29
P21
P232
P75
P421
P401
P234
P284
P46
P455
P334
P33
P104
P68
P496
P85
P239
P47
P355
P173
P250
ModelScoringFunction5
P41
P29
P476
P410
MD 0
P72
P293
P62
P441
P422
P39
P30
P32
P387
P233
P63
P456
P130
P402
P6
P285
P105
P497
P86
P85
P11
P251
P335
P379
P86
P240
P266
P411
P294
P442
P26
P23
P12
P271
P42
P477
MD 3
P215
P423
P403
P286
P31
P87
Model 64
P22
P457
P336
P380
P23
P356
P106
P241
ModelScoringFunction3
P263
P22
P48
P412
P252
P49
P270
P13
P204
P267
P295
P443
P216
P424
P88
P304
P88
P1
P458
P64
P43
P135
P37
P478
P404
P89
P287
P3
OptimizerState 4
P32
P203
P21
P253
P337
P122
P381
P357
P276
P206
P265
P28
P413
P296
P444
P89
P358
P268
P479
P207
P217
P425
P405
P459
P465
P44
P338
P136
P123
P382
P71
ModelScoringFunction7
P414
P254
P13
P65
P44
P72
P277
P65
P264
P19
P36
P129
P205
P297
P27
P305
P445
P218
P426
P111
P8
P311
P460
P2
P108
P480
P208
P406
P4
P255
P45
P339
P137
P124
P383
P109
P279
P132
Model 65
P415
P298
P71
P446
P179
P81
P481
P219
P427
P340
P306
P461
P144
P209
P133
P125
P384
P37
P75
OptimizerState 0
P41
P127
P46
P138
P10
P180
P128
P278
P18
P49
P299
P92
P447
P220
P428
P307
P365
P462
P145
P407
P82
P0
P482
P210
P134
P341
P112
P177
P139
P126
P385
P110
P300
P47
P93
P448
P236
P70
Model 67
P320
P8
P181
P366
P45
P388
P483
P15
P90
P221
P429
P342
P308
P321
P24
P189
P91
P463
P146
P408
P83
P66
P310
P24
P211
P312
P386
P113
P61
P409
P80
ModelScoringFunction4
P468
P94
P59
P237
P140
P62
P182
atom module unit tests succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/statistics/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/statistics/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/statistics/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/statistics/examples/kmeans.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/statistics/examples/write_a_metric.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/statistics/examples/fast-test.results.out) > /dev/null
Run example kmeans.py ... ok
Run example write_a_metric.py ... ok

----------------------------------------------------------------------
Ran 2 tests in 0.136s

OK
statistics examples succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/statistics/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/statistics/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.statistics --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/statistics/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/statistics/test/test_bin_cluster.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/statistics/test/test_centrality_cluster.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/statistics/test/test_connectivity_clustering.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/statistics/test/test_diameter.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/statistics/test/test_histogram.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/statistics/test/test_histogram_d.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/statistics/test/test_recursive.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/statistics/test/test_show_histogram.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/statistics/test/test_simple_kmeans.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_statistics_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/statistics/test/fast-test.results.out) > /dev/null
Test bin clustering ... in 3.241s ... ok
Check that the centrality clustering works on trivial sets ... in 1.416s ... ok
Test connectivity clustering ... ok
Test metric connectivity clustering ... ok
Test connectivity clustering distance cutoff ... ok
Diameter clustering ... ok
Test that histogram top works ... ok
Check that the histogram is constructed correctly ... ok
Check that the uniform histogram is constructed correctly ... ok
Check that the histogramD of a gaussian is OK ... ok
Recursive clustering ... skipped 'bad test'
Check showing the histogram1D of a gaussian ... ok
Check showing the histogram2D of a gaussian ... skipped 'No x available for 2d'
Check showing the histogram3D of a gaussian ... skipped 'no DISPLAY variable found'
Kmeans clustering ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 19 tests in 7.802s

OK (skipped=3)
statistics module unit tests succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/rmf/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/rmf/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/rmf/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/rmf/examples/geometry.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/rmf/examples/multiresolution.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/rmf/examples/pdb.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/rmf/examples/simulation.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/rmf/examples/fast-test.results.out) > /dev/null
Run example geometry.py ... ok
Run example multiresolution.py ... in 11.234s ... ok
Run example pdb.py ... ok
Run example simulation.py ... in 21.754s ... ok

----------------------------------------------------------------------
Ran 4 tests in 33.425s

OK
rmf examples succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/rmf/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/rmf/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.rmf --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/rmf/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/rmf/test/test_geometry.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/rmf/test/test_hierarchy.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/rmf/test/test_model_dependencies.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/rmf/test/test_multiframe.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/rmf/test/test_particles.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/rmf/test/test_restraints.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/rmf/test/test_rigid_bodies.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/rmf/test/test_rigid_bodies_external.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/rmf/test/test_round_trip.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/rmf/test/test_static_geometry.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_rmf_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/rmf/test/fast-test.results.out) > /dev/null
Testing surface geometry ... skipped 'IMP.cgal module disabled'
Test reading and writing geometry ... ok
Test writing a large hierarchy ... ok
Test that navigation of read hierarchies works ... ok
Test writing a simple hierarchy ... ok
Test that writing restraints doesn't reset model dependencies ... ok
Test multi frame files ... ok
Test reading and writing particles ... ok
Test reading and writing particles with frames ... ok
Test writing restraints rmf ... ok
Test writing restraints to rmf with no particles ... ok
Test writing dynamic restraints ... ok
Test loading and saving of rigid bodies ... ok
Test loading and saving of rigid bodies ... ok
Test round trip 1 ... ok
Test round trip ... ok
Test reading and writing geometry ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 21 tests in 2.757s

OK (skipped=1)
rmf module unit tests succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/domino/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/examples/custom_filter.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/examples/domino_approach.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/examples/interactive.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/examples/interactive_with_containers.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/examples/merge_tree.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/examples/multiscale.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/examples/restraint_cache.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/examples/rigid_body_excluded_volume.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/examples/save_assignments.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/examples/six_particles_optimization.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/examples/test_examples.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/examples/fast-test.results.out) > /dev/null
Test example six_particles_optimization.py ... ok
Test example custom_filter.py ... ok
Run example domino_approach.py ... ok
Run example interactive.py ... The dot command from the graphviz package was not found. Please make sure it is in the PATH passed to IMP.
ok
Run example interactive_with_containers.py ... The dot command from the graphviz package was not found. Please make sure it is in the PATH passed to IMP.
ok
Run example merge_tree.py ... ok
Run example multiscale.py ... ok
Run example restraint_cache.py ... ok
Run example rigid_body_excluded_volume.py ... ok
Run example save_assignments.py ... ok

----------------------------------------------------------------------
Ran 10 tests in 1.599s

OK
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
MF0 0
domino examples succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/domino/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.domino --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/test_bandb_sampler.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/test_cache.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/test_caching_sampling.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/test_cluster.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/test_containers.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/test_default_subset_states.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/test_default_subset_states_with_filtering.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/test_filters.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/test_find_pairs.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/test_interaction_graph.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/test_ints_list.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/test_junction_tree.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/test_merge_tree.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/test_nested_rigid_bodies.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/test_nested_states.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/test_order.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/test_permutation_state.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/test_restraint_cache.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/test_rigid_bodies.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/test_sampling.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/test_static_container.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/test_stray_particles.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/test_write_merge_tree.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_domino_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/domino/test/fast-test.results.out) > /dev/null
Testing branch and bound sampler ... ok
Test caching of restraint scores ... ok
Test non-caching of restraint scores ... ok
Test capped caching of restraint scores ... ok
Test sampling with edge scores ... ok
Test clustering of states ... ok
Testing default subset states writing to an binary data set ... ok
Testing the cluster container ... in 6.357s ... ok
Testing default subset states writing to an hdf5 data set ... ok
Testing heap sample container ... ok
Testing default sample container ... ok
Test branch and bound subset states ... in 1.583s ... ok
Test recursive subset states ... in 1.528s ... ok
Test simple subset states ... in 1.521s ... ok
Test filtering with simple and minimal ... in 6.191s ... ok
Test filtering with recursive ... in 7.585s ... ok
Test filtering with simple ... in 7.650s ... ok
Test exclusion filtering pairs ... in 5.205s ... ok
Test exclusion filtering all ... ok
Test equivalence filtering ... ok
Test minimum filtering ... ok
Test close pairs list generation ... ok
Test that simple interaction graphs are fine ... The dot command from the graphviz package was not found. Please make sure it is in the PATH passed to IMP.
ok
Test that more involved graphs are fine ... The dot command from the graphviz package was not found. Please make sure it is in the PATH passed to IMP.
in 8.023s ... ok
Test that showing interaction graphs is fine ... ok
Test proper ints list ... ok
Testing junction tree algorithm ... ok
Testing random junction tree ... ok
Testing balanced merge tree algorithm ... ok
Test nested rigid bodies ... in 1.593s ... ok
Test nested with transformations ... ok
Testing enumeration with ordering ... ok
Testing enumeration with equiv excl ordering ... ok
Test permutation particle states ... ok
Test cache with decomposition with no max is empty ... ok
Test cache with decomposition with with a max is non-empty ... ok
Test cache with decomposition with set exclusion ... ok
Test cache with decomposition with nested sets ... ok
Test cache with simple restraint ... ok
Testing splitting restraints with rigid bodies ... ok
Testing finding minima with rigid bodies ... The dot command from the graphviz package was not found. Please make sure it is in the PATH passed to IMP.
The dot command from the graphviz package was not found. Please make sure it is in the PATH passed to IMP.
ok
Testing splitting restraints with rigid bodies and interestings scores ... ok
Test sampling ... ok
Test sampling with edge scores ... ok
Test handling of unattached particles ... ok
Testing writing and reading a merge tree ... 0 [label=0]
1 [label=1]
10 [label=8 9]
11 [label=6 7]
12 [label=5 4]
13 [label=3 2]
14 [label=0 1]
15 [label=3 2 0 1]
16 [label=6 5 4 7]
17 [label=6 8 9 5 4 7]
18 [label=3 2 0 1 6 8 9 5 4 7]
2 [label=2]
3 [label=3]
4 [label=4]
5 [label=5]
6 [label=6]
7 [label=7]
8 [label=8]
9 [label=9]
10 -> 8 []
10 -> 9 []
11 -> 6 []
11 -> 7 []
12 -> 4 []
12 -> 5 []
13 -> 2 []
13 -> 3 []
14 -> 0 []
14 -> 1 []
15 -> 14 []
15 -> 13 []
16 -> 12 []
16 -> 11 []
17 -> 16 []
17 -> 10 []
18 -> 15 []
18 -> 17 []
ending graph []
ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 50 tests in 52.184s

OK
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
Restraint 1
Restraint 1 scoring
Restraint 2 scoring
Restraint 0 scoring
Restraint 2 scoring
Restraint 1 scoring
Restraint 2
Restraint 0 scoring
Restraint 0
domino module unit tests succeeded
/scratch/nightly-build-3697/imp-SVN.r14111/build/include/IMP/em/DensityMap.h:587: Warning(314): 'from' is a python keyword, renaming to '_from'
/scratch/nightly-build-3697/imp-SVN.r14111/build/include/IMP/em/DensityMap.h:587: Warning(314): 'from' is a python keyword, renaming to '_from'
/scratch/nightly-build-3697/imp-SVN.r14111/build/include/IMP/em/DensityMap.h:675: Warning(314): 'in' is a python keyword, renaming to '_in'
/scratch/nightly-build-3697/imp-SVN.r14111/build/include/IMP/em/DensityMap.h:675: Warning(314): 'in' is a python keyword, renaming to '_in'
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/em/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/examples/analyze_convergence.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/examples/cube.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/examples/fit_restraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/examples/generate_density_map_of_fixed_dimension.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/examples/local_fitting.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/examples/pdb2density.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/examples/fast-test.results.out) > /dev/null
Run example analyze_convergence.py ... in 7.685s ... ok
Run example cube.py ... ok
Run example fit_restraint.py ... in 81.177s ... ok
Run example generate_density_map_of_fixed_dimension.py ... in 5.173s ... ok
Run example local_fitting.py ... in 279.874s ... ok
Run example pdb2density.py ... in 47.468s ... ok

----------------------------------------------------------------------
Ran 6 tests in 421.434s

OK
em examples succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/em/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.em --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_add_map2map/test_add_map2map.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_calc_cc/test_calc_cc.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_calc_cc/test_correlation.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_correlation_decomposition.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_coverters.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_crop.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_density2particles.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_densityMapVolumetrics.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_derivs.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_em_fit.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_envelope_penetration_restraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_fitting_grid_search_pdb.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_fitting_of_rigid_bodies.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_get_density.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_kernel_parameters.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_local_fitting.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_map_header.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_module.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_origin_spacing.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_pad_margin.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_protein_fit_at_different_resolutions.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_read_write_maps/test_read_write_map.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_refcount.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_resample.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_resample_by_rigid_bodies.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_rigid_cc_score_by_grid_rotation.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_rigid_fitting_by_grid_rotation.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_sample_particles.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_sample_particles/test_sample_particles.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_spacing.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_surface/test_geo_score.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_surface/test_pad.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_surface_sample_particles.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_surface_sample_protein.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_transform.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/test_volumes_and_images.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_em_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/fast-test.results.out) > /dev/null
test that adding a map to each other works ... ok
Check the last index is included ... in 50.975s ... ok
test that the create map is reasonable ... ok
test that the correlation at intervals functionality works ... in 80.996s ... ok
test that two maps that sample the same particles have cc score of 1 ... in 17.857s ... ok
test that padding option does not affect the CC score ... in 12.133s ... ok
test that translating either the map or the particles does not change the cc score ... in 17.362s ... ok
test that the simple fast ccc function works ... in 11.541s ... ok
Test that correlation and decomposed correlation return the same score ... in 3.920s ... ok
Test that the full and decomposed fit restraint return the same score ... in 9.278s ... ok
Test that the normalization factor is a constant ... in 15.452s ... ok
test_covert_to_particles (_test_5.ConvertersTest) ... ok
test_covert_to_vectors (_test_5.ConvertersTest) ... ok
Test the cropping functionality ... ok
Test the cropping functionality works when the input bb is larger than the density ... ok
Test conversion of a density map into a set of particles ... ok
Test conversion of particles to a density map ... in 2.778s ... ok
test_get_molecular_mass_at_threshold (_test_8.DensityMapVolumetricsTest) ... ok
Test calculated derivatives for a distorted model's map ... in 2.643s ... ok
Test if the derivatives can pull the particles back into the density ... in 2.396s ... ok
Testing FitRestraint derivative magnitudes ... in 41.577s ... ok
Make sure that we can cast Restraint* to FitRestraint* ... ok
Check that correlation of particles with their own density is 1 ... ok
Check FitRestraint's get methods ... ok
Check that load of nonexistent file is handled cleanly ... ok
Check the restraint is being evaluated ... in 45.131s ... ok
test_penetration (_test_11.EnvelopePenetrationRestraintTest) ... in 46.262s ... ok
Check that the local rigid fitting grid search works ... in 17.902s ... ok
Test that multiple rigid bodies are correctly pulled into the density ... in 27.421s ... ok
Check get_density ... in 19.773s ... ok
test_for_resolution_of_10 (_test_15.KernelParametersTest) ... ok
test_for_resolution_of_10_and_radius_of_1 (_test_15.KernelParametersTest) ... ok
test_get_parameters_by_radius (_test_15.KernelParametersTest) ... ok
Check that fast and slow local fitting converge to the same score ... in 80.659s ... ok
Check memory management of DensityHeader ... in 9.743s ... ok
test_header_values (_test_17.HeaderTest) ... in 9.288s ... ok
test em format read/write ... in 9.526s ... ok
test mrc format read/write ... in 9.385s ... ok
Make sure that exceptions work correctly ... ok
test_origin_spacing_data_is_kept_in_mrc_format1 (_test_19.FittingTest) ... ok
test_origin_spacing_data_is_kept_in_mrc_format2 (_test_19.FittingTest) ... ok
test_origin_spacing_data_is_kept_in_mrc_format3 (_test_19.FittingTest) ... ok
test_origin_spacing_data_is_kept_in_mrc_format4 (_test_19.FittingTest) ... ok
Test the pad_margin function ... ok
test_compare_fit_score_to_imp_generated_maps (_test_21.ProteinFittingTest) ... in 120.307s ... ok
test correct I/O of EM header ... ok
Check refcounting of IMP.em.DensityMap objects read from files ... in 3.419s ... ok
Check resampling of maps ... in 103.659s ... ok
test resampling with and without rigid bodies ... in 214.624s ... ok
test_compute_fitting_scores (_test_26.RigidBodyCorrelationByGridRotation) ... in 88.180s ... ok
Check that CC score does not change after grid and protein rotation ... in 1.468s ... ok
Check that CC score does not change after grid and protein rotation ... in 1.434s ... ok
Check that sampling particles works ... in 3.683s ... ok
test that the sampling works ... ok
Check that the correct spacing gets the highest CC ... in 4.050s ... ok
Check bad geometric complementarity score ... in 1.155s ... ok
Check good geometric complementarity score ... in 1.134s ... ok
Test map padding ... in 28.629s ... ok
Check that surface sampling works ... ok
Check that protein surface sampling works ... ok
Check transforming a density map ... in 36.651s ... ok
Check functionality of the get_transformed_into function ... ok
Check volume reading and writing ... in 2.062s ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 67 tests in 1157.739s

OK
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
Atom CG1 of residue 30
Atom CA of residue 60
Atom CA of residue 241
Atom CD1 of residue 18
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Atom CA of residue 504
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Atom CA of residue 92
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Atom CA of residue 156
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Atom N of residue 91
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/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/input/in.mrc
Atom O of residue 49
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Atom NE of residue 147
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PHE
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GLU
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SER
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HIS
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Atom CA of residue 324
Atom CG of residue 137
Atom CD2 of residue 9
Atom N of residue 24
Atom CA of residue 289
Atom CB of residue 39
LEU
HIS
MET
Atom CA of residue 135
Atom O of residue 438
python stream rigid body
Atom O of residue 553
TRP
Atom O of residue 56
PRO
Atom CA of residue 512
Atom CA of residue 149
Atom CE2 of residue 103
PHE
Atom CA of residue 95
Atom CD of residue 538
Atom CA of residue 7
ALA
ASP
ALA
Atom CA of residue 154
Fit restraint scratch map
PHE
Atom CA of residue 111
Atom O of residue 124
ASP
PHE
MET
/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/input/1z5s_20.imp.mrc
Atom CA of residue 152
Atom CG of residue 512
Atom CA of residue 114
LYS
Atom C of residue 580
Atom CA of residue 129
Atom CA of residue 379
GLU
Atom C of residue 78
THR
Atom CA of residue 251
Atom C of residue 118
Atom CA of residue 492
Atom C of residue 143
Atom C of residue 155
Atom CD of residue 557
LEU
LEU
Atom NH2 of residue 147
Atom CB of residue 122
Atom CD of residue 60
Atom CG of residue 38
LYS
Atom CA of residue 50
ARG
Atom CB of residue 138
SER
ILE
Atom CA of residue 73
Atom CG of residue 58
GLY
GLU
Atom CG2 of residue 455
UpdateRigidBodyMembers12
Atom CA of residue 121
Atom CA of residue 2640
Atom CA of residue 133
ARG
Atom CA of residue 30
GLY
Atom CA of residue 485
Atom CA of residue 582
Atom C of residue 44
Atom CA of residue 569
Atom N of residue 458
Atom CB of residue 577
PHE
Atom CA of residue 69
PRO
Atom CD of residue 121
Atom CA of residue 507
Atom CA of residue 112
GLY
Atom CA of residue 58
Atom CA of residue 244
Atom O of residue 519
Atom CB of residue 485
VAL
TYR
Atom CA of residue 52
Atom CA of residue 523
Atom C of residue 67
GLU
Atom N of residue 107
Atom CA of residue 14
Atom C of residue 129
THR
PHE
Atom CA of residue 274
Atom CA of residue 143
Atom CA of residue 68
THR
Atom CA of residue 63
Atom CD2 of residue 60
VAL
GLY
Atom CZ2 of residue 103
SER
Atom O of residue 91
ASP
GLY
Atom CA of residue 112
Atom CA of residue 90
Atom CA of residue 444
Atom CG1 of residue 55
Atom O of residue 155
LYS
SER
Atom CG of residue 39
Atom CA of residue 438
GLU
Atom CB of residue 124
Atom CA of residue 2633
GLU
Atom C of residue 33
Atom CA of residue 580
Atom CA of residue 10
SER
Atom CG of residue 9
Atom CA of residue 572
Atom CH2 of residue 16
Atom CE3 of residue 103
Atom CA of residue 97
TYR
PRO
Atom N of residue 78
ASP
Atom CA of residue 21
Atom CA of residue 485
ILE
Atom CA of residue 153
GLU
LYS
Atom CA of residue 52
Atom CB of residue 438
ASN
Atom CG of residue 122
ARG
Atom CB of residue 56
VAL
VAL
Atom O of residue 129
LYS
ARG
Atom CD of residue 466
Atom CA of residue 66
Atom CD1 of residue 58
ALA
Atom CA of residue 57
Atom CA of residue 2634
THR
Atom CA of residue 501
MET
LYS
Atom CA of residue 23
LYS
SER
VAL
SER
Atom O of residue 535
LEU
Atom CA of residue 16
ALA
Atom C of residue 112
Atom O of residue 67
Atom CA of residue 126
VAL
ASN
Atom CA of residue 2663
Atom N of residue 456
Atom N of residue 539
Atom CA of residue 59
Atom CD2 of residue 38
Atom CA of residue 513
GLU
Atom CA of residue 48
Atom N of residue 489
Atom CB of residue 33
Atom NE of residue 515
Atom CA of residue 2661
ASN
Atom O of residue 44
Atom CA of residue 26
PRO
Atom CA of residue 2659
Atom CG of residue 577
Atom CE of residue 121
Atom N of residue 558
Atom CA of residue 29
Atom NE of residue 60
GLY
Atom CZ of residue 11
Atom CA of residue 126
PHE
Atom CA of residue 42
PRO
Atom C of residue 31
Atom C of residue 133
DensityMap19
THR
Atom CA of residue 455
Atom CA of residue 93
GLN
Atom CA of residue 35
Atom CD1 of residue 512
Atom CA of residue 40
VAL
Atom CA of residue 129
ALA
Atom O of residue 57
Atom CD of residue 118
Atom CA of residue 96
Atom CA of residue 38
Atom CA of residue 2641
SER
Atom CA of residue 122
ILE
LEU
Atom CA of residue 115
Atom CA of residue 524
Atom CA of residue 580
Atom O of residue 112
Atom CA of residue 488
GLN
Atom CA of residue 466
ASP
ILE
Atom C of residue 41
Atom CA of residue 104
LYS
Atom C of residue 21
Atom OG1 of residue 485
Atom CA of residue 155
Atom CA of residue 436
Atom CA of residue 514
Atom CA of residue 108
ALA
THR
Atom CA of residue 512
Atom CG2 of residue 55
Atom CB of residue 519
python stream rigid body
Atom C of residue 90
Atom N of residue 130
Atom CA of residue 231
Atom N of residue 467
Atom CA of residue 459
THR
Atom CA of residue 493
Atom CA of residue 12
Atom CA of residue 55
LEU
Atom C of residue 23
Atom CA of residue 37
LEU
Atom CA of residue 50
Atom CZ3 of residue 103
Atom O of residue 118
VAL
Atom CA of residue 319
LEU
Atom CA of residue 86
Atom CB of residue 147
Atom CD1 of residue 9
VAL
Atom CA of residue 346
Atom CA of residue 107
Atom SG of residue 138
Atom CA of residue 86
Atom CA of residue 150
ILE
Atom CA of residue 65
Atom CB of residue 155
THR
ILE
Atom NZ of residue 118
Atom N of residue 92
LYS
Atom O of residue 580
LEU
ALA
Atom CA of residue 16
Atom CA of residue 505
Atom CZ of residue 515
Atom CA of residue 7
Atom CA of residue 570
Atom CD1 of residue 38
Atom CA of residue 127
Atom CA of residue 101
Atom N of residue 554
Atom CA of residue 290
ALA
Atom CA of residue 52
SER
ALA
Atom CA of residue 94
LEU
LYS
Atom C of residue 50
Atom O of residue 90
ARG
mol_2 rigid body rigid body positions
Atom CA of residue 252
Atom O of residue 41
ASN
GLN
Atom CA of residue 325
ASP
Atom CA of residue 69
Atom OH of residue 11
THR
Atom CA of residue 513
Atom C of residue 33
Atom O of residue 31
GLY
Atom CA of residue 96
Atom CA of residue 58
Atom O of residue 143
Atom CA of residue 121
PHE
Atom CB of residue 535
Atom C of residue 24
LYS
Atom C of residue 123
LYS
Atom CB of residue 112
Atom CB of residue 67
Atom CA of residue 40
Atom CA of residue 380
Atom N of residue 61
CYS
VAL
Atom CA of residue 147
Atom CA of residue 153
Atom CA of residue 94
GLN
LEU
Atom CA of residue 15
GLU
Atom CA of residue 56
ASP
Atom O of residue 21
SER
ALA
Atom CB of residue 44
Atom CA of residue 22
Atom CB of residue 580
Atom CA of residue 432
THR
Atom CA of residue 458
ASP
Atom CB of residue 118
THR
Atom CA of residue 107
ARG
Atom CD1 of residue 137
MET
Atom N of residue 139
VAL
Atom O of residue 133
THR
TRP
Atom CD2 of residue 512
Atom CA of residue 486
Atom CB of residue 57
Atom N of residue 119
VAL
THR
THR
Atom OG of residue 124
Atom C of residue 444
Atom C of residue 512
Atom CA of residue 2634
ALA
LEU
1z5s.pdb rigid body rigid body positions
Atom O of residue 50
VAL
Atom CG of residue 438
ARG
Atom CA of residue 275
Atom CA of residue 78
Atom CG2 of residue 485
ASP
GLU
CYS
GLY
Atom C of residue 16
LEU
Atom CG1 of residue 56
GLY
Atom O of residue 23
Atom CZ2 of residue 103
Atom CA of residue 113
Atom N of residue 56
PRO
ILE
Atom CA of residue 2634
GLU
MET
ALA
Atom C of residue 108
ASN
GLU
Atom CB of residue 118
Atom CA of residue 460
VAL
Atom CA of residue 245
Atom O of residue 147
P2
Atom O of residue 20
Atom CA of residue 123
Atom CA of residue 43
Atom O of residue 33
TYR
ILE
Atom CD2 of residue 58
LEU
LEU
Atom C of residue 505
GLU
VAL
PHE
Atom CB of residue 90
Atom CA of residue 139
Atom CA of residue 573
Atom CA of residue 2662
VAL
ASP
SER
Atom CZ of residue 60
Atom C of residue 107
Atom CA of residue 2642
Atom NZ of residue 14
Atom CD of residue 577
Atom CA of residue 489
TRP
ALA
LEU
Atom CA of residue 508
Atom CA of residue 486
Atom NH1 of residue 515
Atom CA of residue 525
Atom CA of residue 154
Atom CA of residue 131
Atom C of residue 126
TRP
Atom CA of residue 583
ALA
Atom CB of residue 553
Atom CA of residue 524
Atom C of residue 35
Atom CA of residue 64
LYS
Atom O of residue 444
Atom CA of residue 433
Atom CA of residue 33
Atom CD2 of residue 137
Atom CA of residue 95
Atom NZ of residue 121
Atom CA of residue 502
ILE
GLY
Atom CA of residue 439
TYR
LEU
TRP
Atom CB of residue 41
Atom CA of residue 60
VAL
Atom CA of residue 10
Atom N of residue 45
LEU
Atom CA of residue 76
Atom CA of residue 126
GLY
Atom CB of residue 143
Atom CG of residue 155
Atom CG1 of residue 112
Atom CA of residue 91
Atom CD1 of residue 438
TYR
ARG
LYS
Atom CA of residue 45
Atom CA of residue 66
Atom CH2 of residue 103
ASN
Atom CG of residue 519
ASN
Atom CA of residue 30
Atom C of residue 7
Atom O of residue 16
Atom CA of residue 27
Atom CG2 of residue 56
Atom CG of residue 20
Atom NE of residue 577
Atom CZ3 of residue 103
Atom CA of residue 133
Atom CA of residue 558
Atom O of residue 24
GLN
Atom N of residue 125
Atom N of residue 32
Atom CB of residue 133
Atom CG of residue 118
ASN
Atom CA of residue 581
Atom CA of residue 20
Atom CA of residue 94
PRO
Atom CG of residue 580
THR
ARG
Atom CA of residue 87
Atom CA of residue 2664
Atom CA of residue 67
Atom CG of residue 118
Atom CA of residue 138
Atom CA of residue 108
Atom CE1 of residue 58
Atom O of residue 33
Atom N of residue 79
ILE
Atom CA of residue 71
Atom O of residue 78
GLY
PRO
Atom CG of residue 535
Atom CA of residue 45
Atom CG of residue 67
Atom CA of residue 26
Atom O of residue 108
Atom CA of residue 49
Atom N of residue 15
Atom CA of residue 77
THR
ARG
LEU
Atom CA of residue 39
Atom CA of residue 156
Atom N of residue 51
Atom O of residue 126
LYS
Atom CA of residue 278
Atom CA of residue 18
Atom CA of residue 232
ILE
ILE
THR
Atom CA of residue 128
Atom O of residue 35
Atom CA of residue 494
Atom CA of residue 456
Atom CA of residue 28
ALA
Atom CA of residue 87
Atom CA of residue 347
Atom CA of residue 56
ARG
Atom CA of residue 130
Atom CA of residue 514
CYS
GLY
Atom CA of residue 42
Atom CA of residue 320
Atom O of residue 505
Atom CA of residue 489
Atom CA of residue 467
Atom CA of residue 2660
Atom CA of residue 10
Atom CA of residue 467
CYS
Atom OE1 of residue 12
Atom CA of residue 539
Atom CD1 of residue 155
Atom N of residue 122
ASN
VAL
Atom CA of residue 2633
LEU
Atom CA of residue 97
Atom N of residue 12
Atom CA of residue 54
TYR
GLU
Atom O of residue 7
Atom CA of residue 291
Atom CA of residue 122
Atom NH1 of residue 60
Atom CA of residue 571
LYS
Atom CB of residue 108
MapReaderWriter10
PHE
Atom CA of residue 114
SER
Atom N of residue 486
PHE
ALA
Atom CA of residue 39
Atom CB of residue 23
GLN
LYS
CYS
GLU
Atom N of residue 104
Atom CD of residue 118
LEU
MET
Atom NH2 of residue 515
GLU
LYS
PRO
VAL
VAL
Atom CA of residue 61
PRO
Atom CZ of residue 577
Atom CB of residue 444
GLU
Atom CA of residue 105
Atom CE1 of residue 512
Atom CD of residue 19
VAL
Atom CA of residue 122
Atom N of residue 58
Atom CA of residue 381
ALA
Atom C of residue 458
Atom O of residue 512
VAL
Atom CA of residue 70
Atom ND1 of residue 519
GLY
ILE
Atom OD1 of residue 67
ARG
Atom CA of residue 253
HIS
Atom CG2 of residue 112
Atom CA of residue 72
Atom OG of residue 126
Atom CD2 of residue 438
Atom CA of residue 38
Atom CA of residue 59
Atom C of residue 147
Atom NH2 of residue 60
Atom N of residue 57
Atom CH2 of residue 103
PRO
Atom N of residue 13
Atom CA of residue 96
Atom CA of residue 92
Atom CA of residue 475
THR
ALA
ASP
Atom CA of residue 102
Atom CB of residue 78
Atom C of residue 489
Atom CA of residue 2635
GLY
Atom C of residue 558
Atom CA of residue 584
Atom CD1 of residue 535
Atom CB of residue 16
Atom CB of residue 61
Atom CA of residue 585
LYS
LEU
Atom CA of residue 133
TYR
PHE
PRO
Atom CG1 of residue 41
Atom CE2 of residue 58
Atom OE1 of residue 19
PRO
Atom C of residue 539
mol_2 rigid body
GLN
VAL
Atom C of residue 8
Atom CD of residue 118
SER
Atom CA of residue 97
Atom CA of residue 17
VAL
GLU
LYS
ALA
Atom C of residue 456
Atom CA of residue 71
TYR
ASN
ALA
Atom CD1 of residue 580
GLY
LEU
Atom CA of residue 71
Atom O of residue 458
Atom CA of residue 19
Atom CB of residue 33
Atom CB of residue 512
VAL
ALA
ALA
Atom CG of residue 108
Atom CA of residue 113
ILE
Atom C of residue 467
Atom CA of residue 154
GLU
GLN
Atom CA of residue 99
SER
Atom O of residue 107
GLY
Atom CG1 of residue 23
Atom CA of residue 44
Atom CA of residue 32
ARG
Atom CA of residue 24
Atom CA of residue 246
Atom CG of residue 143
Atom CA of residue 582
Atom CB of residue 505
Atom N of residue 516
Atom CA of residue 2650
ALA
Atom OG of residue 61
Atom C of residue 51
ALA
Atom CD2 of residue 38
Atom CA of residue 2665
Atom CE2 of residue 512
Atom CA of residue 487
Atom N of residue 7
ILE
CYS
VAL
Atom CA of residue 2643
Atom CA of residue 65
VAL
Atom N of residue 65
GLN
Atom CA of residue 72
Atom CA of residue 510
Atom CG2 of residue 23
Atom CA of residue 147
Atom CA of residue 88
Atom N of residue 134
LEU
GLU
VAL
LEU
Atom O of residue 558
Atom CA of residue 525
Atom CG1 of residue 90
ALA
ASN
Atom O of residue 489
HIS
Atom CA of residue 61
ALA
Atom CA of residue 574
Atom CA of residue 340
Atom CA of residue 276
Atom CG2 of residue 41
Atom OE2 of residue 19
Atom CE1 of residue 137
Atom C of residue 139
Atom CA of residue 515
Atom CA of residue 56
GLU
Atom CA of residue 31
Atom N of residue 62
Atom CA of residue 28
ALA
Atom CA of residue 46
Atom CA of residue 2661
Atom CA of residue 67
Atom CG of residue 83
Atom C of residue 92
LYS
LEU
Atom CA of residue 73
Atom N of residue 113
Atom CA of residue 10
Atom CA of residue 27
Atom CA of residue 40
Atom N of residue 127
Atom C of residue 508
ASP
Atom OE1 of residue 118
Atom CA of residue 131
PRO
VAL
Atom O of residue 539
Atom CA of residue 527
Atom C of residue 585
Atom CA of residue 155
Atom N of residue 439
THR
ALA
Atom CA of residue 75
Atom CD2 of residue 580
Atom NH1 of residue 577
Atom CG of residue 33
Atom N of residue 104
Atom CG of residue 444
PRO
GLY
Atom CD of residue 143
MET
Atom CA of residue 2633
Atom CA of residue 487
Atom N of residue 8
Atom CA of residue 440
GLN
Atom CA of residue 58
ASP
LeavesRefiner1
Atom CA of residue 15
Atom CA of residue 45
GLU
Atom C of residue 130
Atom CB of residue 35
ASP
Atom CA of residue 233
Atom CB of residue 6
Atom CZ of residue 58
Atom CD2 of residue 155
ASP
Atom CD of residue 147
LEU
Atom CA of residue 503
Atom O of residue 51
Atom CB of residue 107
TYR
TYR
PHE
ILE
Atom CA of residue 486
Atom CA of residue 2663
SER
GLU
Atom CA of residue 4
Atom CA of residue 75
Atom CB of residue 458
Atom CA of residue 124
Atom CA of residue 15
Atom CA of residue 131
Atom CG of residue 512
Atom CA of residue 39
THR
Atom O of residue 456
Atom CA of residue 58
Atom CG of residue 16
Atom CA of residue 554
Atom CA of residue 125
SER
THR
THR
Atom CA of residue 104
Atom N of residue 20
Atom CE2 of residue 137
ARG
Atom CD2 of residue 519
Atom CA of residue 95
Atom CG2 of residue 90
GLU
SER
PHE
Atom C of residue 56
Atom CA of residue 107
ASN
Atom CA of residue 292
THR
ILE
Atom CA of residue 102
SER
VAL
LYS
Fit restraint internal rb map
Atom OD2 of residue 67
SER
Atom CA of residue 109
Atom O of residue 130
GLU
Atom CA of residue 79
Atom CB of residue 448
GLU
Atom CA of residue 62
Atom N of residue 61
Atom CA of residue 157
Chain C
Atom CG of residue 78
Atom CB of residue 31
LYS
Atom CA of residue 57
GLN
Atom CB of residue 558
Atom OG of residue 505
TYR
Atom CD2 of residue 535
Atom O of residue 92
Atom CA of residue 490
Atom CA of residue 382
PRO
GLY
Atom O of residue 508
Atom CA of residue 468
ASP
Atom CA of residue 78
Atom CD of residue 444
Atom CA of residue 495
ARG
VAL
GLY
Atom O of residue 585
Atom C of residue 125
ALA
Atom CA of residue 341
THR
Atom CA of residue 155
Atom CA of residue 41
Atom CA of residue 119
LYS
Atom CA of residue 57
THR
Atom CA of residue 131
Atom CA of residue 6
Atom NH2 of residue 577
ARG
Atom CB of residue 489
Atom CA of residue 60
Atom CE1 of residue 155
PHE
ASN
Atom CA of residue 57
Atom CA of residue 254
GLU
Atom CA of residue 321
GLU
ARG
Atom CA of residue 88
Atom CB of residue 15
Atom CA of residue 572
GLU
CYS
Atom OG1 of residue 35
ASP
Atom OD1 of residue 33
Atom O of residue 467
Atom N of residue 59
Atom CA of residue 123
Atom CA of residue 122
Atom CD1 of residue 16
Atom CA of residue 476
Atom CA of residue 270
Atom O of residue 38
PHE
Atom CG2 of residue 23
Atom CA of residue 2636
Atom CZ of residue 512
Atom CA of residue 28
Atom SD of residue 39
Atom C of residue 45
Chain A
Atom CA of residue 51
LYS
ARG
PRO
Atom CB of residue 539
Atom CG of residue 487
Atom CB of residue 39
Atom CA of residue 515
Atom CA of residue 141
GLU
Atom O of residue 125
ARG
Atom C of residue 104
Atom CE1 of residue 519
Atom OE1 of residue 143
LEU
LYS
Atom N of residue 68
Atom C of residue 75
Atom CA of residue 575
SER
Atom C of residue 15
Atom CA of residue 247
VAL
Atom CB of residue 456
Atom CA of residue 41
Atom CA of residue 72
Atom CA of residue 114
LEU
Atom CD of residue 78
Atom CA of residue 30
Atom CA of residue 134
Atom CA of residue 73
Chain C
Atom CA of residue 18
Atom CA of residue 6
SER
Atom N of residue 506
SER
Atom CA of residue 313
VAL
Atom CB of residue 126
SER
LEU
Atom CA of residue 20
GLU
ASP
Atom CB of residue 8
Atom CG of residue 448
LEU
ASP
Atom CA of residue 103
ALA
Atom CZ of residue 137
Atom CA of residue 583
Atom CA of residue 586
Atom CG1 of residue 15
Atom N of residue 536
Atom CD1 of residue 90
LYS
Atom CA of residue 2666
Atom CB of residue 467
Atom N of residue 42
Atom CA of residue 488
GLU
Atom C of residue 79
Atom CA of residue 488
PRO
LEU
GLU
Atom CD1 of residue 512
Atom O of residue 56
LYS
ARG
Atom N of residue 513
Atom CA of residue 79
LEU
PRO
Atom CA of residue 2651
ConjugateGradients
VAL
Atom CA of residue 576
Atom CA of residue 9
LYS
ASP
PRO
SER
Atom CA of residue 62
Atom C of residue 554
Atom CA of residue 7
SER
Atom CA of residue 504
Atom N of residue 459
ALA
Atom CA of residue 277
Atom OE2 of residue 118
PRO
Atom CA of residue 36
Atom C of residue 58
Atom CE of residue 39
Atom C of residue 119
Atom CA of residue 125
ALA
HIS
Atom CA of residue 32
Atom CB of residue 92
LYS
SER
Atom N of residue 581
Atom CA of residue 434
Atom CA of residue 441
Atom CB of residue 125
Atom CA of residue 342
Atom CA of residue 516
SER
Atom CB of residue 585
SER
PRO
Atom CG2 of residue 35
Atom CA of residue 50
Atom CA of residue 2662
Atom O of residue 582
LEU
Atom CA of residue 101
Atom CA of residue 20
Atom CA of residue 97
Atom C of residue 486
Atom CE2 of residue 155
Atom C of residue 122
Atom CG of residue 39
VAL
Atom CG1 of residue 107
Atom O of residue 139
Atom CA of residue 2644
Atom N of residue 24
PRO
ARG
TYR
PRO
GLU
Atom CA of residue 156
Atom CA of residue 47
Atom CA of residue 113
Atom SD of residue 108
ARG
SER
ARG
Atom CA of residue 585
TRP
Atom OD2 of residue 33
Atom CA of residue 149
Atom CA of residue 65
Atom CA of residue 74
GLY
ASN
MET
Atom CD2 of residue 16
Atom CA of residue 491
Atom CA of residue 469
Atom CA of residue 79
Atom CA of residue 234
Atom N of residue 490
SER
Atom CA of residue 25
Atom O of residue 554
VAL
Atom CA of residue 526
PRO
Atom CA of residue 142
ARG
LEU
LYS
ALA
LEU
Atom OE2 of residue 143
TYR
Atom CB of residue 130
PHE
ASN
Atom O of residue 104
PHE
Atom C of residue 20
Atom O of residue 79
Atom O of residue 75
Atom CA of residue 58
GLN
Atom CE of residue 78
Atom CA of residue 8
Atom CA of residue 40
Atom N of residue 119
Atom CA of residue 322
Atom CB of residue 7
Atom CA of residue 509
SER
Atom O of residue 58
Atom CA of residue 526
Atom C of residue 118
Atom CA of residue 29
THR
Atom O of residue 4
Atom CA of residue 8
Atom CA of residue 31
MET
Atom CG of residue 8
Atom CA of residue 96
Atom CA of residue 89
Atom O of residue 45
Atom CA of residue 293
LEU
Atom CA of residue 89
Atom OE1 of residue 444
LEU
LYS
ASP
Atom CA of residue 124
VAL
Atom C of residue 536
Atom O of residue 119
Atom CA of residue 101
Atom CA of residue 439
Atom CG of residue 467
Atom CA of residue 70
Atom OH of residue 137
Atom O of residue 486
PRO
GLY
Atom CG of residue 92
Atom C of residue 7
Atom C of residue 57
THR
ILE
Atom CA of residue 457
Atom CA of residue 11
Atom CA of residue 104
Atom CD2 of residue 512
ILE
LEU
Atom CG of residue 585
mol_1
Atom CA of residue 383
ARG
Atom C of residue 134
Atom CG of residue 558
Atom CA of residue 2664
TYR
Atom CG2 of residue 15
GLY
Atom CB of residue 56
Atom CA of residue 255
LYS
Atom CA of residue 496
Atom CG of residue 539
MET
Atom OD1 of residue 122
Atom C of residue 516
Atom N of residue 40
LEU
Atom N of residue 91
Atom CG2 of residue 107
Atom CA of residue 2650
Atom N of residue 39
Atom CE of residue 108
Atom CB of residue 139
VAL
Atom CA of residue 156
VAL
LYS
LEU
LEU
Atom CA of residue 90
Atom CA of residue 236
GLU
Atom CA of residue 467
GLN
Atom CG of residue 125
PRO
Atom O of residue 15
Atom CA of residue 343
Atom N of residue 34
Atom CA of residue 108
Atom NE2 of residue 519
Atom CG of residue 456
Atom CA of residue 61
Atom CA of residue 125
Atom CA of residue 19
Atom CA of residue 61
ALA
SER
VAL
Atom CA of residue 21
Atom CA of residue 104
Atom CA of residue 59
SER
Atom O of residue 20
Atom CA of residue 27
Atom CA of residue 573
Atom CA of residue 127
Atom N of residue 36
ILE
Atom CA of residue 151
Atom C of residue 65
Atom CA of residue 29
Atom CA of residue 2682
Atom CZ of residue 155
GLN
Atom CA of residue 39
GLU
Atom CB of residue 104
Atom CA of residue 74
THR
Atom O of residue 57
Atom N of residue 131
TYR
Atom CA of residue 180
Atom CD of residue 448
TYR
Atom NE1 of residue 16
PRO
Atom CA of residue 42
Atom CA of residue 24
Atom CB of residue 554
Atom CG2 of residue 45
LEU
Atom CB of residue 75
GLU
Atom CA of residue 75
Atom CA of residue 53
Atom CA of residue 21
VAL
ALA
Atom OE2 of residue 444
Atom N of residue 520
Atom N of residue 144
SER
Atom CA of residue 70
PRO
Atom CA of residue 105
Atom CA of residue 2637
Atom CA of residue 26
Atom CA of residue 18
AccumulateRigidBodyDerivatives18
Atom CA of residue 22
GLU
ILE
Atom CD1 of residue 558
Atom CE of residue 118
Atom O of residue 7
ARG
Atom O of residue 122
GLN
Atom CA of residue 68
Atom CA of residue 15
GLU
Atom CB of residue 15
PRO
GLN
LEU
Atom CA of residue 59
Atom CA of residue 248
Atom CZ of residue 8
Atom CD1 of residue 539
Atom CB of residue 79
Atom CA of residue 51
Atom CA of residue 143
Atom C of residue 439
Atom NZ of residue 78
Atom O of residue 134
LYS
SER
Atom CA of residue 581
Atom C of residue 104
Atom CD1 of residue 456
ASN
Atom CB of residue 486
Atom CA of residue 489
VAL
PRO
Atom SD of residue 39
Atom CB of residue 58
Atom CA of residue 2652
Atom CA of residue 478
Atom C of residue 61
Atom CA of residue 516
PHE
Atom CA of residue 115
ALA
THR
SER
TYR
LEU
Atom N of residue 138
SER
VAL
ASN
Atom CA of residue 73
Atom CA of residue 63
Atom CD1 of residue 45
python stream rigid body rigid body positions
Atom CA of residue 527
Atom N of residue 108
ARG
Atom CA of residue 458
Atom C of residue 148
Atom CA of residue 278
ALA
MET
Atom NE of residue 448
Atom CD1 of residue 15
Atom CA of residue 536
Atom CA of residue 505
LYS
ARG
Atom CA of residue 55
Atom CA of residue 22
Atom CA of residue 98
Atom CA of residue 33
MET
Atom CD of residue 467
Atom CA of residue 490
Atom O of residue 65
SER
Atom N of residue 156
Atom CA of residue 271
Atom C of residue 113
GLY
ALA
Atom CG of residue 139
Atom CA of residue 31
Atom CA of residue 71
GLU
Atom CA of residue 586
Atom CA of residue 506
Atom CA of residue 585
ASN
CYS
Atom CD of residue 17
Atom C of residue 127
Atom CD of residue 125
Atom CA of residue 2667
Atom CA of residue 13
Atom CA of residue 344
ASN
ARG
Atom CA of residue 144
SER
LYS
Atom CA of residue 25
Atom CA of residue 442
Atom CA of residue 2645
ARG
Atom CA of residue 270
MET
Atom CA of residue 513
Atom CA of residue 6
SER
Atom CA of residue 48
Atom CA of residue 8
Atom CA of residue 489
Atom CA of residue 2665
Atom CG of residue 115
Atom C of residue 32
Atom CA of residue 459
Atom CA of residue 24
PHE
Atom CA of residue 235
Atom CG1 of residue 56
Atom CG of residue 104
LYS
Atom O of residue 516
LEU
Atom CA of residue 555
Atom CA of residue 30
Atom CA of residue 492
Atom CB of residue 57
CYS
Atom CA of residue 470
Atom CA of residue 80
SER
PRO
Atom CA of residue 102
Atom NH1 of residue 8
Atom CG of residue 79
Atom CA of residue 123
Atom CE2 of residue 16
SER
Atom O of residue 113
Model 22
Atom CA of residue 144
ARG
Atom CG of residue 130
Atom O of residue 439
Atom N of residue 79
Atom CE1 of residue 512
GLN
GLU
SER
GLY
GLU
Atom C of residue 68
ARG
Atom O of residue 148
TYR
Atom OD1 of residue 433
Atom O of residue 104
Atom CG of residue 446
Atom CB of residue 4
Atom CA of residue 135
Atom C of residue 59
GLU
Atom CG of residue 20
Atom CE of residue 39
Atom CD1 of residue 92
Atom CA of residue 59
SER
ASP
Atom CA of residue 138
Atom CA of residue 323
ILE
THR
Atom CA of residue 294
Atom CD1 of residue 585
Atom CA of residue 314
Atom N of residue 16
Atom CA of residue 90
ARG
Atom CA of residue 32
Atom CB of residue 7
ALA
LEU
Atom CA of residue 2651
Atom CA of residue 516
Atom CA of residue 23
Atom CA of residue 119
Atom CA of residue 130
Atom CA of residue 2683
Atom CA of residue 146
LEU
Atom C of residue 506
mol_0 rigid body
Atom O of residue 61
Atom CA of residue 157
ASN
Atom OE1 of residue 467
ALA
Atom CA of residue 7
Atom C of residue 42
Atom CD2 of residue 456
Atom CG1 of residue 486
Atom CA of residue 463
ILE
Atom CA of residue 384
Atom CA of residue 461
Atom CA of residue 2663
VAL
GLY
ASN
Atom CA of residue 520
GLU
LYS
Atom CA of residue 38
ASP
Atom CA of residue 75
THR
ALA
Atom CD of residue 20
Atom CZ of residue 448
Atom N of residue 16
LYS
Atom CD of residue 115
ARG
Atom CG2 of residue 56
Atom CA of residue 41
Atom CA of residue 443
TYR
VAL
Atom CB of residue 134
Atom CA of residue 136
Atom OG of residue 58
Atom C of residue 12
Atom N of residue 46
Atom O of residue 32
PRO
ASP
Atom SG of residue 75
Atom C of residue 581
Atom CD of residue 139
Atom CA of residue 2646
Atom CA of residue 35
Atom CA of residue 256
Atom CB of residue 65
Atom C of residue 513
Atom CA of residue 62
Atom CA of residue 46
Atom CB of residue 516
Atom CA of residue 25
Atom CA of residue 67
LYS
Atom OE1 of residue 17
Atom CA of residue 76
Atom NE of residue 125
Atom CA of residue 62
Atom CB of residue 148
Atom CA of residue 345
LEU
ARG
LEU
Atom CA of residue 30
Atom CA of residue 97
ASP
Atom CD2 of residue 92
Atom CA of residue 479
THR
Atom C of residue 459
THR
Atom C of residue 24
mol2 rigid body rigid body positions
PHE
Atom N of residue 445
Atom CE2 of residue 512
Atom CA of residue 152
Atom CA of residue 68
Atom N of residue 555
Atom CD2 of residue 585
Atom N of residue 109
Atom CA of residue 116
ILE
Atom CA of residue 85
Atom OD2 of residue 433
Atom CA of residue 136
ASP
CYS
Atom CA of residue 490
ALA
SampledDensityMap20
Atom C of residue 490
Chain A
TYR
Atom CA of residue 134
ALA
Atom NH2 of residue 13
PRO
Atom C of residue 91
SER
Atom CA of residue 138
Atom CA of residue 157
ASP
PRO
Atom CA of residue 26
Atom CA of residue 517
Atom CA of residue 131
/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/input/in.mrc
Atom CB of residue 31
Atom CA of residue 455
Atom CA of residue 40
Atom CA of residue 34
Atom CA of residue 60
Atom CA of residue 497
Atom C of residue 520
Atom CA of residue 333
Atom CA of residue 100
ASP
ASP
GLU
SER
MET
GLY
Atom CB of residue 439
LEU
ARG
ILE
Atom CB of residue 42
PRO
Atom OE1 of residue 20
Atom CA of residue 16
Atom O of residue 536
GLY
Atom O of residue 127
Atom CA of residue 462
mol_3
Atom CB of residue 104
Atom CA of residue 32
Atom C of residue 119
ARG
LYS
LYS
Atom CD2 of residue 558
HIS
Atom CA of residue 117
GLY
ILE
LEU
Atom CA of residue 249
Atom CD2 of residue 539
Atom O of residue 506
Atom CA of residue 2653
Atom CA of residue 574
Atom CA of residue 272
Atom N of residue 58
Atom N of residue 76
SER
Atom CA of residue 36
GLU
Model 39
TYR
ALA
Atom CA of residue 64
Atom C of residue 14
1tyq_D.pdb
VAL
CYS
Atom OD1 of residue 130
Atom CG of residue 134
Atom CA of residue 279
Atom CA of residue 2638
LEU
Atom CA of residue 46
Atom CA of residue 528
Atom CA of residue 464
Atom O of residue 581
VAL
TRP
THR
Atom OG1 of residue 65
Atom O of residue 59
Atom CA of residue 498
Atom N of residue 457
Atom CA of residue 34
Atom CB of residue 61
Atom O of residue 91
Atom CA of residue 526
Atom CA of residue 56
Atom CA of residue 570
Atom CA of residue 8
Atom CA of residue 5
Atom CD of residue 104
TRP
VAL
VAL
Atom CE1 of residue 536
Atom N of residue 59
ASP
LYS
Atom O of residue 459
ASP
Atom CA of residue 577
HIS
PRO
LYS
Atom N of residue 57
Atom O of residue 490
LEU
Atom CB of residue 122
Atom C of residue 67
LEU
LEU
SER
Atom CA of residue 24
PRO
Atom CB of residue 62
Atom CD2 of residue 38
Atom O of residue 68
Atom CB of residue 113
Atom OE1 of residue 139
Atom CA of residue 127
Atom CA of residue 2668
ALA
ALA
Atom NH2 of residue 8
Atom CG2 of residue 486
Atom ND1 of residue 79
Atom CA of residue 490
LEU
LYS
Atom CA of residue 443
Atom CZ of residue 125
Atom CA of residue 346
HIS
PRO
GLY
Atom OE2 of residue 20
Atom CA of residue 587
LYS
Atom N of residue 93
Atom C of residue 46
Atom CA of residue 49
Atom CA of residue 108
Atom CD of residue 117
Atom CG of residue 31
ARG
Atom CA of residue 19
Atom CA of residue 236
Atom NH1 of residue 448
Atom N of residue 559
Atom N of residue 40
Atom CA of residue 31
Atom CA of residue 477
Atom CA of residue 31
Atom CE1 of residue 585
Chain B
Atom CA of residue 506
Atom CA of residue 72
Atom CA of residue 25
LEU
LEU
Atom N of residue 440
Atom C of residue 570
Atom N of residue 484
LEU
Atom CA of residue 10
GLN
Atom CA of residue 136
ASP
Atom C of residue 138
Atom N of residue 540
SER
SER
Atom C of residue 34
Atom CG of residue 104
LEU
Atom CA of residue 156
Atom O of residue 14
Atom CA of residue 44
Atom CA of residue 139
LEU
PHE
LEU
LEU
ALA
Atom CA of residue 2684
Atom CA of residue 87
Atom CG of residue 62
Atom CA of residue 3
Atom CA of residue 99
Atom CA of residue 456
Atom CG of residue 101
Atom OE2 of residue 467
GLY
Atom CA of residue 295
Atom CA of residue 315
1tdx.pdb
ASP
Atom O of residue 513
GLU
ILE
PRO
Atom CB of residue 536
Atom CB of residue 68
ARG
Atom CB of residue 127
Atom C of residue 36
Atom CA of residue 16
Atom CB of residue 59
Atom CA of residue 103
ILE
ASP
Atom O of residue 570
Atom CA of residue 112
GLU
Atom NE of residue 104
ASP
Model 49
Atom CA of residue 228
Atom CG of residue 516
Atom CA of residue 493
Chain D
Atom CA of residue 2630
LYS
Atom OE2 of residue 17
Atom CA of residue 385
Atom CA of residue 471
Atom CA of residue 81
PRO
Atom CZ of residue 512
MET
Atom CD2 of residue 79
Atom CG of residue 122
SER
Atom CB of residue 32
LEU
Atom CA of residue 30
Atom CA of residue 2652
LYS
Atom CA of residue 2648
VAL
Atom C of residue 144
GLU
Atom CB of residue 506
Atom CA of residue 2666
TYR
Atom OE2 of residue 42
LEU
ILE
LEU
Atom CA of residue 91
ALA
Atom OG of residue 42
Atom CA of residue 33
TYR
SER
Atom OE2 of residue 113
Atom N of residue 92
Atom CA of residue 60
Atom ND2 of residue 130
PRO
Atom CA of residue 20
Atom CA of residue 42
Atom CG of residue 513
Atom CA of residue 324
Atom CA of residue 26
Atom CA of residue 73
Atom OE1 of residue 117
Atom CA of residue 2664
SER
PRO
Atom N of residue 434
Atom O of residue 448
Atom CA of residue 491
Atom CA of residue 39
Atom NH2 of residue 448
VAL
ASN
Atom CB of residue 14
PRO
Atom CB of residue 459
Atom CA of residue 517
ARG
Atom CB of residue 570
Atom CA of residue 25
Atom CA of residue 31
VAL
Atom CA of residue 47
Atom CA of residue 147
SampledDensityMap37
Atom CG of residue 555
Atom OG of residue 61
Atom CA of residue 575
GLU
Atom N of residue 18
Atom CD of residue 101
Atom CA of residue 79
GLU
Atom N of residue 468
Atom CB of residue 490
Atom CA of residue 257
Atom N of residue 487
Atom CA of residue 91
Atom C of residue 31
Atom C of residue 40
SER
LYS
Atom CB of residue 581
Atom CA of residue 347
Atom CA of residue 153
Atom CA of residue 2639
Atom O of residue 119
Atom CA of residue 126
HIS
Atom CA of residue 88
THR
LYS
Atom N of residue 513
Atom OG of residue 7
Atom CA of residue 155
Atom CA of residue 29
TRP
Atom C of residue 156
LEU
ASP
Atom CD of residue 32
Atom CA of residue 463
Atom CB of residue 63
LEU
Atom CA of residue 61
MET
Atom CD1 of residue 516
Atom O of residue 67
Atom CE2 of residue 585
Atom C of residue 108
Atom CA of residue 32
Atom O of residue 36
GLU
Atom CD1 of residue 134
Atom CA of residue 158
Atom C of residue 39
Atom CA of residue 16
GLU
VAL
LYS
LEU
ALA
Atom CA of residue 250
Atom CA of residue 445
TYR
Atom CD1 of residue 62
GLN
Atom CA of residue 140
PRO
THR
Atom CA of residue 33
Atom N of residue 43
LEU
ASP
Atom O of residue 40
Atom CA of residue 518
Atom NE2 of residue 139
Atom CA of residue 9
HIS
PRO
Atom CG2 of residue 65
Atom CA of residue 63
LYS
Atom N of residue 65
PRO
Atom CG of residue 536
Atom N of residue 43
Atom CA of residue 2654
SER
LEU
ALA
Atom CG of residue 68
Atom CA of residue 273
GLY
LYS
Atom CA of residue 106
LEU
ALA
Atom CA of residue 17
Atom CA of residue 65
Atom C of residue 93
Atom CA of residue 92
THR
Atom CA of residue 2642
Atom O of residue 34
Atom CA of residue 445
Atom CA of residue 280
Atom CB of residue 119
Atom C of residue 555
Atom C of residue 109
PRO
VAL
VAL
ASP
Atom O of residue 138
LEU
Atom O of residue 39
Atom CE1 of residue 79
ALA
SER
Atom CA of residue 10
Atom CA of residue 31
LEU
Atom CG of residue 459
THR
Atom CA of residue 22
GLY
THR
ASN
ALA
Atom CA of residue 578
PRO
GLN
Atom CA of residue 42
Atom CG of residue 581
THR
LEU
Atom CA of residue 44
Atom CA of residue 57
GLY
Atom O of residue 144
GLY
ARG
Atom N of residue 62
Atom CA of residue 24
Atom CG of residue 113
LYS
Atom CA of residue 128
PHE
Atom C of residue 79
Atom CA of residue 104
Atom O of residue 520
Atom OG of residue 506
Atom CA of residue 58
Atom CA of residue 465
Atom CA of residue 12
Atom O of residue 2
Atom N of residue 35
Atom CD of residue 104
LYS
Atom CA of residue 565
Atom CA of residue 491
Atom CZ of residue 585
Atom CA of residue 140
Atom CA of residue 18
Atom CA of residue 444
Atom CE of residue 101
VAL
Atom CA of residue 237
Atom CD2 of residue 134
LYS
PHE
THR
Atom CA of residue 2685
ARG
Atom C of residue 10
Atom CA of residue 529
Atom NH1 of residue 125
Atom CA of residue 348
Atom N of residue 66
Atom CG of residue 59
ARG
Atom CA of residue 114
THR
Atom CB of residue 67
Atom CA of residue 32
Atom CA of residue 507
Atom CA of residue 2649
Atom CG of residue 570
LEU
VAL
THR
GLU
GLN
Atom C of residue 16
Atom CA of residue 59
Atom CB of residue 40
PHE
Atom N of residue 33
Atom C of residue 77
Atom N of residue 140
ASP
Atom CG of residue 127
Atom C of residue 16
Atom CA of residue 92
ALA
Atom CA of residue 131
Atom CA of residue 457
THR
Atom CD2 of residue 516
Atom O of residue 555
Atom CA of residue 45
Atom O of residue 109
ASN
Atom CA of residue 57
Atom CZ of residue 104
MapReaderWriter45
Atom CG1 of residue 490
THR
Atom CD2 of residue 513
Atom CB of residue 39
VAL
Atom CA of residue 89
Atom CA of residue 296
Atom CA of residue 316
Atom CA of residue 34
ASP
Atom CB of residue 36
Atom OD1 of residue 31
Atom N of residue 3
Atom CA of residue 559
LEU
Atom CA of residue 141
Atom CA of residue 26
Atom CB of residue 520
Atom CA of residue 540
LEU
ALA
Atom CA of residue 66
ALA
Atom CA of residue 2669
GLU
Atom C of residue 445
LEU
Atom CB of residue 138
ARG
Atom O of residue 156
Atom N of residue 449
GLY
Atom CA of residue 2653
Atom CA of residue 386
Atom CA of residue 440
Atom CD1 of residue 570
LYS
Atom O of residue 16
Atom O of residue 93
Atom CA of residue 50
Atom CA of residue 494
LEU
Atom CA of residue 43
Atom CA of residue 472
Atom CA of residue 93
ALA
Atom CA of residue 82
Atom NE of residue 104
Atom CA of residue 45
Atom CG of residue 119
Atom CA of residue 148
PRO
VAL
HIS
Model 50
Atom CA of residue 110
Atom CA of residue 2640
ARG
SER
Atom CA of residue 36
Atom CA of residue 11
Atom CD1 of residue 68
ASP
Atom CA of residue 130
Atom O of residue 16
GLY
Atom C of residue 57
Atom CD of residue 59
Atom NE2 of residue 79
Atom CD1 of residue 536
LEU
Atom CA of residue 61
Atom C of residue 18
ARG
ALA
Atom CA of residue 258
Atom CA of residue 325
Atom CA of residue 229
Atom N of residue 507
Atom CA of residue 84
Atom CA of residue 27
Atom C of residue 58
ASP
Atom CA of residue 10
Atom CD of residue 127
Atom CA of residue 2665
Atom CA of residue 134
LYS
Atom CA of residue 32
Atom CB of residue 144
Atom CA of residue 64
GLN
ASN
Atom O of residue 108
GLU
Atom CA of residue 518
ALA
Atom CD2 of residue 570
Atom O of residue 79
GLN
Atom NH1 of residue 104
Atom N of residue 514
Atom CA of residue 92
Atom CG of residue 40
Atom CD2 of residue 62
Atom O of residue 10
Atom CA of residue 576
VAL
ASN
VAL
PHE
ILE
Atom CA of residue 35
ASP
Atom CA of residue 127
Atom CA of residue 487
Atom O of residue 31
SER
PHE
GLN
Atom CA of residue 18
Atom C of residue 59
MET
GLU
Atom CG of residue 36
GLU
Atom CB of residue 4
Atom CA of residue 349
Atom CA of residue 468
Atom O of residue 57
PRO
ARG
Atom C of residue 457
Atom CA of residue 115
LYS
Atom CD of residue 19
Atom CA of residue 438
Atom CG2 of residue 490
Atom CA of residue 43
ASP
PRO
CYS
Atom C of residue 89
SER
VAL
SER
Atom CD of residue 113
Atom CA of residue 128
Atom ND2 of residue 31
TRP
VAL
TYR
Atom O of residue 445
LEU
Atom CB of residue 156
LEU
Atom C of residue 559
Atom CB of residue 555
Atom N of residue 571
Atom CA of residue 43
Atom CA of residue 446
Atom CA of residue 62
Atom C of residue 540
Atom N of residue 517
Atom NH2 of residue 125
Atom CA of residue 434
Atom CA of residue 156
Atom CA of residue 2655
Atom CA of residue 11
Atom CA of residue 274
Atom CA of residue 519
Atom CD1 of residue 581
LEU
ARG
Atom CD of residue 459
Atom C of residue 440
Atom CA of residue 27
Atom CA of residue 107
Atom CA of residue 251
Atom CG of residue 520
Atom CA of residue 149
Atom CA of residue 66
Atom CA of residue 2667
Atom OG1 of residue 67
Atom N of residue 63
LEU
VAL
GLY
Atom CD2 of residue 68
Atom CA of residue 133
GLN
ASN
THR
PHE
Atom CA of residue 26
Atom CA of residue 513
Atom CA of residue 281
Atom O of residue 42
Atom SG of residue 138
Atom N of residue 80
Atom CA of residue 236
ASP
Atom CA of residue 14
Atom NZ of residue 101
Atom CA of residue 154
PRO
THR
Atom OD1 of residue 40
Atom O of residue 21
Atom O of residue 58
Atom CA of residue 118
Atom CZ of residue 104
Atom CA of residue 99
Atom CA of residue 135
Atom NH2 of residue 104
GLU
Atom CA of residue 42
Atom O of residue 81
Atom O of residue 559
Atom CA of residue 141
ARG
Atom CB of residue 109
Atom CA of residue 466
Atom CA of residue 58
Atom CA of residue 3
Atom CB of residue 79
SER
Atom O of residue 540
GLU
Atom CA of residue 65
ILE
Atom OH of residue 585
Atom CB of residue 108
ASP
Atom CB of residue 16
Atom CE1 of residue 134
Atom C of residue 6
Atom CA of residue 159
Atom CE of residue 59
Atom CD2 of residue 536
Atom CB of residue 31
NullModifier1
Atom CA of residue 19
VAL
Atom CA of residue 129
Atom CD1 of residue 119
LYS
ASN
Atom CA of residue 199
Atom CA of residue 85
VAL
Atom CA of residue 43
Atom CA of residue 25
VAL
ALA
Atom CA of residue 142
Atom CA of residue 131
Atom CA of residue 2670
Atom CA of residue 131
Atom CA of residue 105
Atom O of residue 457
ASP
Atom CG of residue 16
Atom CB of residue 93
Atom C of residue 92
Atom CA of residue 140
Atom CA of residue 2643
THR
Atom CA of residue 238
HIS
VAL
Atom CE2 of residue 87
GLU
Atom CA of residue 51
Atom CA of residue 579
Atom CA of residue 54
THR
Atom C of residue 468
ALA
LYS
Atom CA of residue 15
Atom O of residue 59
Atom CA of residue 530
LEU
Atom OE1 of residue 459
PRO
Atom CA of residue 140
MET
Atom CA of residue 499
THR
PHE
Atom C of residue 487
ARG
LEU
Atom CG2 of residue 67
Atom O of residue 18
Atom N of residue 126
Atom CA of residue 350
Atom CZ of residue 134
Atom CA of residue 117
Atom CA of residue 93
Atom CG of residue 144
Atom CA of residue 102
Atom CA of residue 6
THR
Atom CD2 of residue 581
ILE
LYS
Atom CA of residue 66
Atom CA of residue 34
LEU
Atom CA of residue 102
Atom CA of residue 297
Atom CB of residue 21
Atom CA of residue 62
Atom CA of residue 46
Atom CA of residue 317
Atom CA of residue 44
VAL
Atom C of residue 131
Atom C of residue 434
Atom CA of residue 6
TYR
Atom CB of residue 81
Atom CD of residue 483
SER
Atom CA of residue 33
ILE
HIS
Atom OG of residue 109
ILE
Atom CA of residue 42
Atom CB of residue 445
Atom CD2 of residue 119
Atom C of residue 514
Atom CA of residue 147
Atom CA of residue 2686
ASN
Atom ND2 of residue 40
Atom N of residue 586
Atom OE1 of residue 113
Atom C of residue 513
VAL
Atom O of residue 8
Atom N of residue 105
GLY
Atom CB of residue 559
PHE
Atom CA of residue 20
Atom CA of residue 387
Atom CA of residue 467
LEU
Atom CB of residue 540
Atom CA of residue 230
Atom CA of residue 492
Atom CA of residue 2668
Atom CD of residue 83
Atom CA of residue 34
Atom CA of residue 93
Atom CA of residue 138
LYS
GLY
Atom CA of residue 29
LYS
CoarseCC4
GLU
Atom CA of residue 147
Atom N of residue 139
Atom CG of residue 31
PRO
Atom O of residue 89
ALA
ARG
GLU
Atom N of residue 102
Atom N of residue 4
Atom CA of residue 71
Atom O of residue 9
Atom C of residue 65
ASP
LYS
Atom CA of residue 508
Atom CA of residue 143
Atom O of residue 131
Atom NE2 of residue 117
SER
GLN
Atom CA of residue 2641
LEU
Atom O of residue 487
ALA
ASP
Atom CG of residue 93
Atom CB of residue 58
Atom CG of residue 108
LYS
GLY
Model 20
Atom CA of residue 35
Atom NH1 of residue 104
GLU
Atom CB of residue 57
Atom CA of residue 44
Atom C of residue 43
Atom CD2 of residue 555
Atom CA of residue 9
Atom CA of residue 2654
Atom O of residue 440
Atom CA of residue 157
Atom N of residue 491
Atom C of residue 93
Atom SD of residue 520
Atom CA of residue 560
GLU
Atom CA of residue 4
MET
Atom C of residue 140
GLU
Atom SD of residue 36
Atom N of residue 32
GLU
ILE
MET
Atom NZ of residue 59
Atom CA of residue 25
Atom CA of residue 65
Atom CA of residue 541
Atom N of residue 157
Atom CA of residue 150
Atom CG of residue 21
CYS
CYS
Atom CB of residue 18
Atom CA of residue 439
Atom N of residue 128
SER
GLU
GLU
THR
Atom CA of residue 135
Atom CA of residue 118
Atom CA of residue 259
CYS
Atom CA of residue 63
Atom CB of residue 16
Atom CA of residue 54
LYS
Atom N of residue 110
PRO
Atom O of residue 3
Atom CA of residue 155
ASN
Atom CA of residue 24
GLN
Atom CB of residue 457
Atom CA of residue 449
Atom CA of residue 103
GLU
Atom O of residue 434
Atom CD1 of residue 144
Atom CB of residue 59
Atom CA of residue 28
Atom CA of residue 495
Atom NE2 of residue 459
Atom CA of residue 473
Atom CA of residue 2666
Atom CG of residue 16
GLU
Atom CA of residue 83
Atom CG of residue 445
Atom C of residue 66
LYS
ASP
Atom O of residue 88
Atom N of residue 68
Atom N of residue 41
ASP
Atom C of residue 62
LYS
LEU
SER
Atom CA of residue 351
Atom CA of residue 160
Atom CA of residue 62
Atom CA of residue 507
Atom CA of residue 93
TYR
Atom CE1 of residue 68
Atom N of residue 114
Atom CA of residue 582
Atom CA of residue 40
Atom O of residue 140
LYS
ARG
Atom CA of residue 128
ARG
ASN
NullModifier4
Atom CA of residue 62
Atom CA of residue 446
GLY
Atom CB of residue 131
Atom CA of residue 6
Atom CA of residue 55
Atom CA of residue 571
Atom CA of residue 30
Atom CG of residue 79
ARG
Atom CG of residue 8
THR
Atom CA of residue 44
Atom CA of residue 326
Atom CG of residue 81
Atom CA of residue 2655
Atom CA of residue 2656
Atom CA of residue 37
Atom CB of residue 89
Atom CA of residue 577
Atom CA of residue 78
Atom CA of residue 275
Atom O of residue 92
Atom CA of residue 23
ASP
VAL
SER
PRO
Atom CA of residue 2644
Atom CA of residue 43
Atom C of residue 135
ARG
Atom O of residue 65
SER
TRP
Atom CD1 of residue 555
ILE
LYS
ALA
LEU
Atom CA of residue 520
Atom CA of residue 519
Atom N of residue 118
Atom CA of residue 282
Atom CA of residue 444
ARG
GLN
Atom CA of residue 12
Atom CE of residue 36
Atom NH2 of residue 104
Atom CA of residue 252
PRO
Atom CB of residue 9
PRO
Atom CA of residue 119
PHE
Atom CA of residue 2633
Atom CB of residue 440
LYS
GLN
GLN
Atom CA of residue 144
Atom O of residue 59
ASN
Atom C of residue 35
Atom O of residue 468
Atom N of residue 60
ASN
Atom CA of residue 19
Atom CE2 of residue 536
PRO
Atom CA of residue 39
Atom CA of residue 59
LYS
Atom CA of residue 108
SER
Atom CA of residue 119
Atom O of residue 93
Atom CB of residue 513
ASN
ASP
Atom CA of residue 580
ARG
TYR
Atom CD1 of residue 16
Atom CA of residue 22
HIS
CYS
Atom N of residue 58
GLU
Atom CA of residue 66
GLU
Atom CG1 of residue 457
Atom CD2 of residue 144
Atom CA of residue 433
Atom CA of residue 2669
Atom OD1 of residue 31
LYS
Atom CG of residue 140
ALA
ASP
Atom CE of residue 520
MET
Atom CB of residue 487
CYS
Atom CA of residue 517
Atom CE2 of residue 68
LYS
Atom SD of residue 108
Atom CA of residue 2671
Atom CA of residue 239
Atom O of residue 513
PHE
PRO
Atom CA of residue 80
Atom C of residue 449
Atom CA of residue 493
Atom N of residue 582
MET
Atom O of residue 110
Atom C of residue 571
Atom ND1 of residue 79
LEU
THR
GLY
Atom CA of residue 52
Atom CA of residue 94
Atom CA of residue 41
PRO
PRO
Atom CA of residue 120
ARG
Atom CB of residue 88
Atom CA of residue 509
Atom CG of residue 32
Atom CA of residue 126
HIS
CYS
Atom C of residue 507
Atom O of residue 43
Atom CD of residue 21
Atom O of residue 62
VAL
Atom CB of residue 434
Atom CB of residue 468
ASP
TRP
Atom CA of residue 2672
Atom CA of residue 298
Atom CA of residue 318
LEU
Atom N of residue 460
Atom CA of residue 464
Atom CA of residue 102
Atom CA of residue 352
PHE
Atom CA of residue 139
PRO
GLY
Atom CA of residue 63
ARG
GLY
Atom CD of residue 39
Atom CA of residue 5
ASN
Atom O of residue 135
Atom CG of residue 513
Atom CA of residue 106
Atom CG of residue 59
Atom CG of residue 22
MET
Atom CG of residue 131
THR
Atom CA of residue 96
Atom CA of residue 72
LYS
Atom N of residue 120
Atom N of residue 521
Atom CA of residue 26
LEU
Atom CA of residue 140
Atom CA of residue 388
Atom CA of residue 32
GLU
CYS
Atom CD1 of residue 81
ALA
Atom OD2 of residue 136
VAL
LEU
Atom CA of residue 120
Atom CA of residue 64
Atom CA of residue 500
VAL
LEU
VAL
Atom CA of residue 67
Atom CB of residue 65
THR
Atom OE1 of residue 21
Atom CA of residue 586
Atom CA of residue 496
Atom CB of residue 92
Atom N of residue 37
Atom CA of residue 474
Atom CA of residue 2667
Atom CA of residue 130
Atom CA of residue 68
Atom CA of residue 157
Atom CA of residue 93
Atom CA of residue 78
Atom CA of residue 531
Atom CB of residue 140
Atom C of residue 128
SER
GLN
ILE
TRP
Atom CA of residue 491
Atom CA of residue 148
Atom CA of residue 101
Atom CA of residue 63
Atom CG of residue 559
Atom CD1 of residue 16
LEU
PHE
Atom C of residue 5
Atom CA of residue 25
Atom CG of residue 540
Atom O of residue 449
Atom CA of residue 94
Fit restraint scratch map
LEU
GLN
Atom CA of residue 63
Atom CA of residue 94
ILE
Atom CA of residue 45
Atom O of residue 66
Atom CA of residue 327
Atom CA of residue 231
Atom C of residue 517
Atom CA of residue 47
Atom CA of residue 95
Atom N of residue 40
PHE
GLU
rigid bodies list
ALA
Atom CA of residue 148
SER
Atom CA of residue 129
Atom C of residue 80
Atom ND2 of residue 31
TYR
LYS
Atom CA of residue 520
Atom CD of residue 445
Atom CA of residue 141
LYS
Atom CB of residue 43
Atom CA of residue 22
Atom CA of residue 56
Atom CZ of residue 68
Atom CA of residue 24
Atom CG1 of residue 434
Atom CA of residue 11
Atom OD1 of residue 59
Atom CD1 of residue 22
Atom OG of residue 89
Atom CA of residue 55
Atom CA of residue 35
Atom CA of residue 110
GLN
Atom C of residue 102
Atom CD2 of residue 79
Atom CA of residue 57
Atom CA of residue 156
Atom CA of residue 260
Atom O of residue 120
Atom CE1 of residue 144
Atom CA of residue 100
Atom CA of residue 2656
Atom CZ of residue 536
Atom CA of residue 68
Atom CA of residue 445
VAL
ASP
Atom CD1 of residue 513
Atom CA of residue 105
Atom CB of residue 93
ASN
GLU
Atom CA of residue 121
Atom O of residue 507
Atom CA of residue 14
GLU
Atom CA of residue 95
Atom CG of residue 88
LYS
ASN
ILE
Atom CE of residue 108
Atom CA of residue 97
LEU
ALA
Atom C of residue 63
Atom CA of residue 33
Atom OE2 of residue 21
Atom CB of residue 62
SER
ASN
Atom CG of residue 440
Atom CA of residue 109
Atom CG of residue 468
Atom CA of residue 161
Atom CA of residue 21
ALA
Atom CD2 of residue 81
Atom CA of residue 76
ALA
Atom C of residue 60
Atom CA of residue 78
Atom CA of residue 353
PRO
Atom CB of residue 66
Atom CA of residue 66
Atom CA of residue 2689
Atom OG1 of residue 65
Atom CA of residue 2657
PHE
VAL
SER
Atom CG of residue 92
ASN
Atom C of residue 126
ASP
Atom CA of residue 253
ILE
Atom CA of residue 29
Atom CA of residue 578
Atom CA of residue 79
VAL
Atom CD of residue 131
Atom CA of residue 2645
Atom N of residue 105
Atom CA of residue 283
SER
LEU
LYS
Atom CG of residue 9
Atom CD1 of residue 559
VAL
Atom C of residue 586
LEU
Atom CA of residue 440
Atom CB of residue 18
Atom CA of residue 27
Atom CB of residue 135
Atom C of residue 491
Atom CA of residue 13
GLY
Atom CA of residue 12
Atom SD of residue 540
Atom C of residue 40
Atom CA of residue 5
ARG
Atom CA of residue 86
Atom CA of residue 98
GLU
Atom CD2 of residue 16
GLU
Fit restraint internal rb map
LEU
Atom CE of residue 445
ARG
VAL
Atom CG2 of residue 457
Atom CA of residue 24
LYS
Atom O of residue 517
input1.pdb
GLY
Atom O of residue 9
Atom CA of residue 110
Atom O of residue 17
Atom CD1 of residue 6
PRO
Atom CB of residue 47
Atom CA of residue 145
CYS
Atom ND2 of residue 140
ASN
Atom CA of residue 86
Atom CA of residue 55
ARG
Atom CA of residue 439
Atom CE2 of residue 144
TYR
GLY
Atom CD2 of residue 16
Atom CA of residue 30
LYS
Atom CA of residue 60
Atom CA of residue 28
Atom C of residue 105
VAL
Atom CA of residue 12
Atom CA of residue 56
LEU
ALA
Atom O of residue 60
GLY
VAL
GLY
Atom CD1 of residue 9
GLU
Atom CB of residue 449
Atom CA of residue 12
Atom N of residue 556
ARG
Atom N of residue 22
THR
Atom CA of residue 120
Atom O of residue 128
Atom CD1 of residue 440
LEU
Atom CA of residue 240
Atom CA of residue 239
1z5s_A.pdb
Atom SG of residue 93
Atom CA of residue 43
ARG
Atom C of residue 139
LEU
Atom CA of residue 90
VAL
Atom C of residue 110
VAL
GLU
Atom CA of residue 10
Atom CD of residue 487
Atom C of residue 157
Atom CA of residue 494
Atom N of residue 109
Atom CA of residue 521
Atom CA of residue 468
LEU
ALA
Atom CB of residue 17
MET
Atom OD2 of residue 59
GLN
Atom CD2 of residue 22
Atom OH of residue 68
Atom CA of residue 532
Atom O of residue 80
Atom CA of residue 60
Atom CB of residue 120
Atom CA of residue 14
Atom CA of residue 2687
ALA
Atom OH of residue 536
Atom CA of residue 27
Atom CA of residue 510
Atom CB of residue 126
MET
Atom CA of residue 2634
Atom O of residue 102
PRO
Atom CE1 of residue 79
Atom O of residue 491
GLU
Atom CB of residue 507
GLY
Atom CA of residue 299
Atom CA of residue 319
Atom CA of residue 435
GLU
Atom CA of residue 56
Atom NE1 of residue 16
PHE
PRO
HIS
Atom CA of residue 501
Atom CD1 of residue 457
PHE
PHE
Atom O of residue 80
GLU
Atom CA of residue 48
SER
Atom N of residue 19
ILE
Atom CA of residue 24
Atom CA of residue 14
HIS
HIS
PHE
TYR
Atom CA of residue 581
/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/input/in.mrc
PHE
Atom CA of residue 118
Atom CA of residue 2672
GLU
Atom CG of residue 66
ALA
Atom CA of residue 142
Chain A
Atom CA of residue 107
Atom CA of residue 79
Atom CA of residue 101
Atom N of residue 35
Atom CA of residue 9
LYS
ILE
Atom CA of residue 389
VAL
LYS
Atom CA of residue 12
GLN
THR
Atom CG of residue 47
Atom CG of residue 62
Atom CA of residue 53
Atom CB of residue 60
Atom N of residue 132
Atom CA of residue 37
HIS
VAL
Atom CD2 of residue 513
Atom CD of residue 468
Atom CA of residue 58
Atom CA of residue 232
Atom CA of residue 31
Atom CD2 of residue 559
Atom CA of residue 68
VAL
Atom O of residue 40
Atom N of residue 32
PHE
Atom CA of residue 582
LEU
Atom CA of residue 68
Atom CA of residue 521
Atom O of residue 139
Atom CA of residue 102
Atom CE of residue 540
Atom CA of residue 57
Atom SG of residue 43
GLU
Atom CA of residue 91
Atom CA of residue 114
Atom CA of residue 475
Atom CA of residue 2668
VAL
Atom NZ of residue 445
PHE
NullModifier6
Atom CA of residue 122
Atom CG of residue 449
Atom CA of residue 15
Atom CA of residue 79
Atom OG1 of residue 14
Atom CG of residue 146
GLY
ILE
ARG
Atom CA of residue 7
Atom CD2 of residue 6
Atom CA of residue 64
Atom CB of residue 517
ASN
Atom CA of residue 95
Atom CG2 of residue 434
SER
Atom CA of residue 30
VAL
Atom O of residue 157
Atom CA of residue 2670
ARG
Atom CA of residue 469
Atom CA of residue 64
Atom CA of residue 411
Atom CA of residue 460
ILE
Atom CA of residue 248
Atom CA of residue 328
Atom CA of residue 30
Atom C of residue 68
Atom CG of residue 97
Atom CA of residue 497
Atom N of residue 69
Atom CD1 of residue 92
Atom CG of residue 60
SER
Atom CA of residue 441
Atom CB of residue 80
ARG
Atom CA of residue 261
Atom O of residue 105
PHE
THR
Atom CD2 of residue 9
Atom CA of residue 537
Atom CB of residue 128
Atom CA of residue 521
AccumulateRigidBodyDerivatives11
GLY
Atom CB of residue 102
Atom CD2 of residue 440
Atom NE2 of residue 79
Atom CA of residue 100
Atom CA of residue 16
Atom CA of residue 149
Atom CA of residue 18
Atom CA of residue 2688
LEU
LEU
GLU
THR
Atom CA of residue 76
Atom C of residue 114
Atom CA of residue 79
Atom CA of residue 88
Atom O of residue 4
PHE
TYR
Atom CA of residue 87
Model 38
Atom C of residue 60
ALA
Atom N of residue 82
Atom NE of residue 487
Atom CB of residue 80
LYS
Atom CE1 of residue 16
ALA
Atom CA of residue 35
Atom CG2 of residue 14
LEU
Atom CD of residue 146
Atom CG of residue 17
LEU
Atom CA of residue 15
Atom CG2 of residue 65
ASP
Atom CD1 of residue 62
Atom O of residue 586
ASN
Atom O of residue 126
ARG
ILE
Atom N of residue 537
Atom CE1 of residue 22
GLU
Atom CA of residue 8
VAL
UpdateRigidBodyMembers13
Atom CA of residue 46
Atom CA of residue 470
Chain A
Atom CA of residue 440
Atom CZ of residue 144
Atom CA of residue 2657
Atom N of residue 44
Atom CA of residue 40
Atom CE2 of residue 16
GLU
Atom CA of residue 354
Atom CE2 of residue 134
Atom N of residue 514
Atom CE of residue 468
Atom C of residue 62
ILE
Atom N of residue 458
PRO
Atom CA of residue 2629
Atom CB of residue 40
PRO
Atom CA of residue 2658
ILE
VAL
ASP
Atom CB of residue 491
TYR
Atom CA of residue 67
Atom O of residue 68
Atom CB of residue 114
Atom CA of residue 121
Atom CD1 of residue 6
Atom CA of residue 83
Atom CA of residue 88
Atom N of residue 435
Atom CA of residue 284
Atom CA of residue 65
SER
LEU
Atom CG of residue 507
Atom CA of residue 16
Atom CE of residue 146
Atom C of residue 582
Atom CA of residue 522
LEU
Atom CA of residue 2635
ALA
LYS
Atom CG of residue 517
Atom CA of residue 556
LYS
ILE
ILE
LEU
Atom CA of residue 141
Atom N of residue 94
Atom CA of residue 254
Atom CA of residue 13
Atom N of residue 60
Atom C of residue 90
VAL
Atom CA of residue 56
SER
Atom OD1 of residue 140
Atom CA of residue 57
Atom CD of residue 66
ARG
ALA
PRO
VAL
LYS
Atom CB of residue 586
Atom CA of residue 92
MET
Atom CD2 of residue 92
SER
Atom CA of residue 162
LYS
Atom CA of residue 9
Atom CA of residue 123
Atom CA of residue 15
ALA
Atom CA of residue 150
GLU
Atom CA of residue 146
Atom N of residue 15
Atom CA of residue 80
GLN
Atom C of residue 460
LYS
Atom N of residue 446
LEU
Atom CG of residue 120
Atom CB of residue 139
Atom N of residue 66
ASN
Atom CA of residue 122
Atom C of residue 118
HIS
Atom CA of residue 237
GLU
PRO
Atom CA of residue 102
Atom N of residue 560
TRP
Atom NZ of residue 146
Atom CA of residue 77
Atom CA of residue 580
Atom CA of residue 99
Atom CA of residue 105
Atom CA of residue 241
Atom C of residue 58
Atom CA of residue 28
Atom N of residue 541
LEU
ASP
Atom CA of residue 15
Atom CA of residue 33
Atom CE2 of residue 22
HIS
Atom CA of residue 7
Atom CG of residue 582
Atom CG of residue 102
Atom O of residue 114
GLY
Atom CA of residue 61
Atom CE1 of residue 440
LYS
Atom CB of residue 105
Atom O of residue 62
Atom CA of residue 31
LEU
TYR
ASP
Atom CD1 of residue 507
GLN
Atom CG of residue 40
Atom CE2 of residue 16
ASP
Atom CA of residue 2
Atom CA of residue 533
PRO
PRO
LYS
Atom C of residue 470
PHE
Atom CA of residue 23
Atom CD2 of residue 6
Atom CB of residue 157
Atom CA of residue 300
Atom CD2 of residue 62
Atom CA of residue 320
ALA
Atom C of residue 40
SER
LEU
Atom CA of residue 468
Atom C of residue 521
Atom CA of residue 74
Atom CA of residue 2671
ARG
Atom O of residue 571
GLN
LEU
MET
Atom OG1 of residue 7
Atom OG of residue 58
Atom CG of residue 110
Atom C of residue 37
LEU
SER
PRO
GLU
Atom CA of residue 16
ALA
Atom CD of residue 47
Atom CA of residue 49
Atom CA of residue 28
Atom CD of residue 17
Atom C of residue 532
LYS
PHE
Atom CA of residue 58
Atom N of residue 39
Atom O of residue 90
ILE
Atom CA of residue 390
Atom CE3 of residue 16
Atom CA of residue 2673
ILE
Atom CA of residue 102
Atom N of residue 67
Atom O of residue 60
ARG
Atom CA of residue 150
Atom CA of residue 502
ALA
Atom CD1 of residue 449
Atom CA of residue 495
GLY
Atom N of residue 69
Atom CA of residue 77
Atom CA of residue 109
PHE
LYS
LEU
Atom CA of residue 84
SER
Atom CB of residue 62
PHE
ALA
PHE
GLU
Atom CA of residue 69
PHE
PHE
python stream
THR
PHE
Atom CA of residue 89
Atom O of residue 460
ASP
Atom CG of residue 80
PRO
Atom C of residue 105
Atom O of residue 58
LEU
PRO
Chain D
Atom CA of residue 557
Atom CA of residue 511
Atom CA of residue 465
ARG
Atom CA of residue 132
Atom CG of residue 128
GLY
Atom O of residue 118
THR
LYS
Atom CA of residue 73
ALA
Atom OH of residue 144
LYS
ARG
PRO
Atom N of residue 147
Atom CB of residue 145
Atom CA of residue 84
MET
Atom CD1 of residue 120
Atom CG of residue 80
Atom CA of residue 80
SER
Atom CA of residue 80
Atom N of residue 587
Atom CA of residue 10
Atom N of residue 93
LEU
TYR
Atom CA of residue 19
LEU
Atom N of residue 80
Atom CA of residue 82
Atom CA of residue 103
PHE
Atom CZ of residue 16
Atom O of residue 37
Atom CH2 of residue 16
GLU
Atom CA of residue 38
Atom NE of residue 8
Atom CA of residue 84
SER
Atom CA of residue 233
Atom CZ of residue 487
PRO
Atom N of residue 21
Atom NE of residue 47
Atom CA of residue 46
Atom C of residue 109
Atom CA of residue 412
ALA
Atom CE2 of residue 440
python stream
Atom CA of residue 476
Atom CA of residue 20
Atom CA of residue 11
Atom O of residue 521
ALA
LEU
Atom CA of residue 31
Atom CA of residue 498
SER
Atom CD of residue 80
Atom CA of residue 141
Atom O of residue 470
Atom CG of residue 491
ASN
Atom CA of residue 108
Atom N of residue 7
ALA
Model 41
Atom CG of residue 157
Atom CA of residue 3
Atom CA of residue 537
Atom C of residue 556
Atom CA of residue 35
ASP
SER
Atom CA of residue 32
Atom CA of residue 23
Atom CB of residue 571
Atom CA of residue 54
Atom CA of residue 57
Atom CA of residue 2669
Atom CA of residue 213
Atom CA of residue 96
Atom NZ of residue 468
Atom CA of residue 89
GLY
ASP
Atom CD2 of residue 449
GLY
LEU
Atom CD of residue 582
Atom N of residue 141
Atom NE of residue 17
Atom CG of residue 62
Atom CG of residue 139
Atom CA of residue 65
Atom CA of residue 14
Atom CD2 of residue 507
GLU
Atom CA of residue 59
ARG
LYS
Atom OG of residue 58
Atom CB of residue 60
Atom CA of residue 458
Atom CA of residue 124
Atom N of residue 14
PRO
Atom O of residue 109
Atom CA of residue 65
Atom CA of residue 16
Atom C of residue 3
Atom CA of residue 89
Atom CA of residue 47
Atom CA of residue 94
Atom CA of residue 469
ASP
GLN
Atom CA of residue 329
Atom CD1 of residue 517
Atom CA of residue 2658
Atom CA of residue 60
Atom CA of residue 2659
Atom CA of residue 584
Atom CA of residue 69
ALA
Atom CB of residue 110
ALA
Atom CA of residue 476
GLU
ASP
Atom CA of residue 116
Atom CB of residue 513
ARG
ALA
Atom CA of residue 59
Atom CD of residue 80
ASP
Atom CA of residue 2630
Atom CA of residue 96
Atom CA of residue 36
Atom CA of residue 522
Atom CA of residue 59
Atom CB of residue 118
Atom CA of residue 285
Atom CD2 of residue 120
THR
Atom CA of residue 44
GLY
Atom CD1 of residue 97
Atom CA of residue 72
ARG
Atom CG of residue 145
ALA
Atom O of residue 105
SER
ALA
Atom CG of residue 105
Atom CA of residue 2
THR
Atom CA of residue 93
Atom OE1 of residue 582
Atom CA of residue 523
Atom CA of residue 141
Atom CA of residue 9
Atom CA of residue 442
Atom CD1 of residue 128
Atom CA of residue 2637
Atom CA of residue 2635
Atom CA of residue 441
GLN
LEU
TRP
TYR
LYS
GLY
Atom CA of residue 6
Atom OG of residue 126
Atom CA of residue 90
PRO
Atom CA of residue 435
P0
Atom CD of residue 491
THR
VAL
Atom NH1 of residue 487
PRO
PRO
TYR
Atom CA of residue 466
Atom CB of residue 460
Atom C of residue 19
Atom OD1 of residue 102
GLY
Atom CA of residue 255
MET
ALA
PHE
GLU
Atom CA of residue 75
Atom N of residue 63
python stream rigid body rigid body positions
Atom N of residue 17
ILE
ARG
LEU
Atom N of residue 469
Atom CA of residue 142
Atom CA of residue 163
Atom CA of residue 149
TYR
Atom CA of residue 66
Atom OH of residue 16
Atom CZ of residue 22
ALA
GLN
GLY
Atom CA of residue 133
Atom CA of residue 46
LEU
Atom CB of residue 5
Atom CD of residue 139
Atom N of residue 145
Atom CA of residue 31
Atom CA of residue 83
Atom O of residue 556
ARG
PRO
MET
Atom CB of residue 37
Atom CA of residue 111
Atom CA of residue 242
Atom CA of residue 90
Atom O of residue 18
Atom CA of residue 103
Atom C of residue 537
Atom CZ of residue 47
Atom C of residue 35
THR
Atom CA of residue 47
Atom CD of residue 114
Atom NE2 of residue 582
Atom CB of residue 109
Atom CA of residue 8
Atom CA of residue 28
Atom CA of residue 68
Atom CA of residue 66
Atom CD2 of residue 517
Atom C of residue 32
VAL
GLU
ARG
Atom CA of residue 9
Atom CA of residue 98
GLU
Atom N of residue 81
Atom CA of residue 85
Atom CA of residue 3
PHE
Atom CA of residue 82
ASP
Atom CB of residue 470
PHE
NormalizeRotation7
Chain C
VAL
VAL
Atom CA of residue 214
VAL
Atom CD of residue 105
Atom C of residue 82
THR
Atom N of residue 450
ASP
Atom CA of residue 301
Atom CA of residue 321
ALA
LEU
Atom CA of residue 461
SER
Atom CD of residue 460
SER
PRO
LEU
THR
PRO
ARG
ASP
PHE
ASN
Atom C of residue 69
Atom N of residue 59
GLY
Atom CA of residue 125
1z5s_C_wrong.pdb
Atom O of residue 537
VAL
Atom N of residue 583
ARG
LEU
ARG
Atom CA of residue 446
TYR
SER
Atom N of residue 121
Atom C of residue 541
Atom C of residue 44
GLN
Atom CA of residue 73
Atom CA of residue 391
ASN
Atom CA of residue 109
VAL
Atom CA of residue 104
Atom NE of residue 80
Atom N of residue 23
Atom N of residue 90
Atom CA of residue 29
Atom CA of residue 580
Atom OD1 of residue 110
Atom C of residue 132
Atom N of residue 127
GLU
Atom OD2 of residue 102
Atom N of residue 155
Atom CA of residue 503
Atom CA of residue 484
GLU
Atom CA of residue 496
Atom CA of residue 70
ILE
CYS
Atom CA of residue 73
GLN
GLN
Atom C of residue 435
VAL
Atom CA of residue 85
Atom CA of residue 234
SER
Atom CA of residue 14
Atom CA of residue 534
THR
Atom CA of residue 97
P1
Atom CA of residue 442
Atom CA of residue 522
SER
GLY
Atom CD of residue 157
Atom CA of residue 32
Atom CA of residue 69
Atom CA of residue 29
Atom CA of residue 512
Atom CA of residue 58
Atom CZ of residue 440
LEU
Atom C of residue 94
ARG
Atom CE1 of residue 507
Atom O of residue 35
THR
Atom CA of residue 87
Atom OE1 of residue 491
PRO
Atom CA of residue 151
Atom O of residue 567
Atom O of residue 32
Atom CA of residue 587
Atom CA of residue 50
Atom CA of residue 43
PRO
Atom O of residue 19
Atom CG of residue 118
TYR
Atom CD of residue 117
VAL
ALA
Atom N of residue 17
Atom C of residue 60
Atom CA of residue 37
VAL
Atom CG of residue 571
Atom O of residue 132
GLY
GLY
Atom CB of residue 105
Atom CA of residue 48
GLN
Atom CG1 of residue 470
Atom CA of residue 67
Atom CA of residue 144
Atom CG of residue 60
Atom CA of residue 32
Atom CA of residue 2658
Atom OE1 of residue 139
Atom O of residue 541
Atom C of residue 66
Atom CA of residue 34
GLU
PRO
Fit restraint
Atom CA of residue 18
Atom CA of residue 413
P0
Atom CA of residue 175
LEU
Atom CA of residue 72
Atom O of residue 82
Atom CA of residue 15
Atom CA of residue 60
ALA
Atom OG of residue 109
Atom CA of residue 19
Atom CA of residue 462
Atom OD1 of residue 31
GLN
Atom CA of residue 98
Atom CA of residue 2674
PHE
ASN
Atom C of residue 458
MET
Atom CA of residue 81
Atom N of residue 518
PRO
Atom CA of residue 443
VAL
Atom C of residue 6
Atom CA of residue 86
Atom CA of residue 90
ASP
Atom SD of residue 62
Atom CA of residue 471
MET
Atom CA of residue 9
TYR
GLY
Atom CA of residue 24
Atom CA of residue 58
Atom CD of residue 145
Atom CA of residue 2670
CYS
Atom CA of residue 7
Atom CA of residue 2690
Atom CB of residue 567
CYS
LEU
Atom CA of residue 74
Atom OE1 of residue 20
Atom CD2 of residue 128
Atom CA of residue 215
Atom N of residue 106
Atom CG of residue 114
Atom CG of residue 37
THR
LYS
Atom C of residue 446
Atom C of residue 9
GLN
Atom C of residue 522
GLY
Atom CA of residue 2660
Atom NH1 of residue 47
Atom CA of residue 81
GLY
VAL
Atom N of residue 441
Atom CA of residue 80
Atom CA of residue 477
SampledDensityMap82
Atom CA of residue 330
Atom CA of residue 72
Atom CE2 of residue 507
LEU
Atom CA of residue 97
Atom CA of residue 2659
Atom CA of residue 32
ASP
ASP
Atom CA of residue 477
LEU
Atom CA of residue 286
ASN
PHE
ALA
Atom NH2 of residue 487
Atom CA of residue 69
ALA
HIS
Atom CG1 of residue 45
Atom CA of residue 63
Atom C of residue 93
Atom CA of residue 16
Atom CA of residue 444
Atom CA of residue 523
Atom CD of residue 118
Atom CA of residue 95
ASP
Atom O of residue 94
Atom CA of residue 6
SER
VAL
Atom O of residue 60
GLY
GLY
Atom C of residue 9
Atom CD of residue 571
ASN
Atom OD2 of residue 110
Atom ND2 of residue 31
Atom CA of residue 143
Atom CD1 of residue 60
PRO
Atom CA of residue 256
Atom O of residue 458
Atom CZ of residue 80
TRP
Atom CG of residue 567
PHE
Atom CA of residue 44
LYS
Atom CA of residue 2636
LEU
PHE
ILE
GLY
Atom CA of residue 149
Atom O of residue 69
Atom CA of residue 43
LEU
ASP
Atom CG of residue 105
Atom CA of residue 91
ILE
Atom CA of residue 54
UpdateRigidBodyMembers21
LEU
Atom CA of residue 33
SER
Atom CB of residue 19
Atom CB of residue 58
ALA
Atom CA of residue 61
Atom CA of residue 83
Atom OE1 of residue 145
Atom CA of residue 143
Atom NE2 of residue 491
Atom C of residue 67
LYS
THR
Atom CA of residue 126
Atom CA of residue 60
Atom CB of residue 35
Atom CA of residue 20
TRP
PRO
ALA
Atom CA of residue 67
P2
Atom CA of residue 112
Atom CA of residue 243
THR
Atom OE1 of residue 117
Atom CA of residue 48
Atom CE of residue 62
LEU
LEU
Atom CB of residue 32
Atom O of residue 11
GLU
Atom OD1 of residue 37
Atom CA of residue 469
GLU
Atom CA of residue 94
Atom CB of residue 541
Atom N of residue 488
Atom C of residue 4
Atom OD1 of residue 567
Atom CA of residue 11
Atom N of residue 538
GLY
Atom CA of residue 583
Atom CA of residue 524
Atom CE1 of residue 128
Atom C of residue 80
Atom CA of residue 105
Atom O of residue 44
LEU
ASN
Atom N of residue 110
Atom N of residue 4
Atom CA of residue 123
GLU
Atom O of residue 446
THR
Atom CA of residue 155
Atom CA of residue 33
Atom N of residue 522
Atom C of residue 7
Atom CA of residue 450
Atom NH2 of residue 47
GLY
PRO
PHE
Atom CA of residue 472
GLN
AccumulateRigidBodyDerivatives10
ARG
VAL
Atom CA of residue 302
Atom CA of residue 322
GLN
Atom CA of residue 81
VAL
Atom O of residue 435
Model 27
GLU
Atom CB of residue 556
DensityMap888
Atom NE of residue 114
Atom OE1 of residue 460
Atom N of residue 103
Atom CB of residue 7
Atom CA of residue 216
SER
ALA
Atom CA of residue 121
ASP
LEU
CYS
SER
Atom C of residue 69
Atom O of residue 46
ILE
VAL
TYR
Atom CG of residue 6
Atom CA of residue 164
Atom CB of residue 82
Atom NH1 of residue 80
Atom CA of residue 104
Atom ND2 of residue 567
LYS
Atom CA of residue 57
Atom C of residue 583
Atom CA of residue 459
Atom CA of residue 392
LEU
Atom CA of residue 2636
PRO
Atom CA of residue 49
Atom CA of residue 176
Atom CA of residue 132
TRP
Atom NE2 of residue 139
Atom CA of residue 145
ARG
Atom CA of residue 22
Atom CB of residue 69
Atom CG of residue 12
GLU
Atom CA of residue 2675
Atom CA of residue 92
Atom CA of residue 110
Atom CA of residue 136
Atom CB of residue 59
Atom CA of residue 82
Atom CA of residue 71
Atom CA of residue 2673
GLU
TYR
TYR
GLY
LYS
Atom CA of residue 86
Atom CA of residue 504
P1
Atom CA of residue 485
ARG
Atom O of residue 66
Atom CB of residue 44
PRO
Atom CB of residue 11
Atom C of residue 587
Atom OE1 of residue 571
GLN
Atom CB of residue 132
Atom N of residue 32
Atom CA of residue 87
Atom CD2 of residue 60
Atom CB of residue 458
THR
LEU
Atom C of residue 23
Atom CG of residue 35
Atom CA of residue 81
Atom CA of residue 535
Atom CG2 of residue 470
Atom CB of residue 60
Atom CG of residue 32
Atom CB of residue 435
ALA
ASN
Atom N of residue 568
Atom CZ of residue 507
Atom N of residue 557
Atom CA of residue 82
SER
Atom O of residue 583
Atom CA of residue 439
GLN
ILE
Atom O of residue 80
LYS
Atom CA of residue 179
Atom C of residue 2
Atom CA of residue 152
GLU
Atom CA of residue 51
GLN
PHE
ASN
Atom OE2 of residue 145
Atom CA of residue 2
Atom C of residue 469
VAL
Atom N of residue 492
SER
Atom CB of residue 94
ILE
Atom CA of residue 127
Atom CA of residue 235
GLY
Atom CA of residue 147
Atom O of residue 93
LYS
Atom CA of residue 127
TRP
Atom CA of residue 2659
Atom CA of residue 518
THR
Atom O of residue 69
Atom CG of residue 11
Atom C of residue 63
Atom CA of residue 30
Atom CA of residue 71
TYR
Atom CA of residue 145
THR
MET
PRO
Atom O of residue 23
Atom CA of residue 12
Atom C of residue 141
Atom NE2 of residue 460
Atom CA of residue 91
VAL
Atom N of residue 140
Atom C of residue 145
Atom CA of residue 497
Atom CB of residue 45
ARG
LYS
Atom O of residue 587
SER
Atom CZ of residue 114
ASP
Atom C of residue 121
Atom N of residue 83
Atom CA of residue 2691
SER
Atom N of residue 111
VAL
VAL
GLY
Atom CA of residue 50
Atom CB of residue 446
Atom O of residue 67
Atom CA of residue 6
LEU
Atom CB of residue 66
LEU
Atom CB of residue 46
Atom CA of residue 513
Atom CA of residue 2631
Atom OE1 of residue 118
Atom CA of residue 144
Atom O of residue 5
Atom CA of residue 106
Atom CA of residue 5
ALA
SER
AccumulateRigidBodyDerivatives21
ARG
Atom CA of residue 2661
LEU
MET
Atom C of residue 127
ALA
Atom CA of residue 103
Atom CA of residue 11
Atom CD of residue 105
Atom CA of residue 49
Atom N of residue 471
Atom C of residue 155
ASP
Atom CA of residue 71
Atom CA of residue 30
Atom CD1 of residue 11
Atom CG of residue 19
Atom CA of residue 478
Atom CA of residue 287
Atom CA of residue 59
Atom CA of residue 20
Atom CA of residue 443
LYS
Atom CA of residue 129
Atom CA of residue 41
ARG
Atom CA of residue 33
GLU
Atom CA of residue 460
Atom N of residue 133
Fit restraint
LYS
Atom CG1 of residue 4
PRO
SER
THR
Atom O of residue 7
Atom CA of residue 38
Atom CA of residue 115
Atom CA of residue 414
Atom CA of residue 441
Atom CA of residue 121
Atom CA of residue 492
Atom CA of residue 570
Atom CA of residue 62
Atom CA of residue 17
ARG
SampledDensityMap32
VAL
Atom CA of residue 25
Atom CA of residue 59
LEU
MapReaderWriter25
Atom O of residue 141
ASP
GLY
Atom N of residue 45
Atom O of residue 63
ASP
Atom CA of residue 88
Atom CG of residue 94
Atom N of residue 63
Atom N of residue 3
PRO
Atom OE2 of residue 571
Atom N of residue 98
Atom CB of residue 583
ALA
Atom CE2 of residue 128
Atom O of residue 127
Atom ND2 of residue 37
Atom CA of residue 2671
Atom CA of residue 34
Atom C of residue 81
GLU
HIS
Atom CA of residue 4
Atom N of residue 61
Atom CA of residue 257
Atom O of residue 522
ALA
PHE
LEU
LYS
Atom N of residue 48
TYR
Atom CA of residue 2634
TYR
Atom OG of residue 435
SampledDensityMap85
Atom CA of residue 165
Atom CA of residue 16
Atom N of residue 542
CYS
Atom CA of residue 73
Atom CG2 of residue 4
CYS
SER
Atom CA of residue 61
Atom C of residue 450
Atom CA of residue 98
ASP
LEU
Atom CA of residue 38
Atom OE2 of residue 118
Atom CA of residue 331
Atom C of residue 570
ARG
ASP
MET
Atom CA of residue 2660
Atom O of residue 61
Atom CA of residue 23
Atom N of residue 146
Atom CA of residue 60
PRO
Atom N of residue 106
Atom N of residue 447
Atom CB of residue 67
ASP
Atom N of residue 459
LYS
Atom O of residue 145
Atom CA of residue 39
Atom CA of residue 21
Atom CG of residue 60
SER
Atom CA of residue 525
Atom CA of residue 124
Atom CA of residue 524
Atom OD1 of residue 19
Atom CA of residue 4
Atom CA of residue 473
GLY
Atom CG of residue 69
Atom CB of residue 93
Atom CZ of residue 128
Atom CG of residue 483
GLU
LYS
Atom NH2 of residue 80
Atom CA of residue 303
Atom CB of residue 587
Atom CA of residue 323
Atom CA of residue 19
Atom CA of residue 110
PRO
Atom C of residue 103
Atom CA of residue 113
Atom CB of residue 80
Atom CA of residue 69
TRP
Atom C of residue 106
python stream rigid body rigid body positions
Atom N of residue 31
GLU
TRP
Atom O of residue 81
Atom CA of residue 217
Atom CA of residue 245
Atom CA of residue 94
Atom CA of residue 93
Atom O of residue 155
Atom CA of residue 140
LEU
ASP
ILE
Atom CG of residue 66
Atom CA of residue 21
SER
GLU
Atom C of residue 59
LEU
VAL
Atom CA of residue 63
GLU
Atom CA of residue 58
LYS
GLY
Atom CA of residue 393
Atom CB of residue 127
Atom N of residue 38
GLU
Model 4
Atom CA of residue 528
SER
Atom CA of residue 128
PRO
Atom C of residue 134
Atom CA of residue 488
Atom CA of residue 105
Atom O of residue 450
Atom CA of residue 18
Atom CD of residue 35
Atom CA of residue 2632
Atom C of residue 441
Atom O of residue 121
Atom CA of residue 72
Atom CA of residue 2674
Atom CD of residue 32
LYS
Atom N of residue 572
ILE
Atom CA of residue 42
Atom N of residue 129
Atom CA of residue 32
Atom CA of residue 2676
Atom CA of residue 177
Atom O of residue 469
Atom CA of residue 146
Atom CA of residue 87
PRO
Atom CA of residue 83
Atom CA of residue 498
Atom CA of residue 538
MET
Atom C of residue 557
Atom CG1 of residue 132
ILE
MET
GLU
Atom CA of residue 17
Atom O of residue 106
Atom OD1 of residue 100
VAL
PHE
Atom CA of residue 236
Atom CB of residue 560
TYR
Atom CA of residue 148
input1.pdb
Atom CA of residue 111
GLU
CYS
ASN
python stream rigid body rigid body positions
GLN
Atom CA of residue 69
Atom N of residue 81
Atom C of residue 21
Atom CD of residue 60
VAL
Atom CA of residue 2
HIS
Atom CA of residue 514
Atom NH1 of residue 114
Atom CA of residue 6
LYS
Atom CA of residue 131
Atom CA of residue 63
LEU
LEU
Atom C of residue 518
Atom CD of residue 69
LYS
Atom CA of residue 142
PRO
ASP
Atom CB of residue 522
TYR
GLU
SER
Atom CA of residue 83
Atom CB of residue 63
LEU
ILE
Atom CB of residue 69
Atom CA of residue 81
Atom CG of residue 93
Atom CA of residue 42
LYS
Atom CD1 of residue 4
ASP
Atom CA of residue 111
Atom CA of residue 96
Atom CA of residue 106
MET
Atom CA of residue 99
Atom C of residue 46
SER
Model 45
Atom CB of residue 141
SER
Atom CA of residue 415
Atom CA of residue 74
Atom N of residue 119
Atom CA of residue 37
Atom CG of residue 80
Atom CA of residue 47
ARG
Atom CA of residue 2660
Atom CA of residue 22
Atom CB of residue 10
GLN
GLU
Atom CA of residue 130
Atom N of residue 436
ALA
Atom CB of residue 469
Atom CA of residue 94
GLY
PRO
ALA
Atom CA of residue 543
ILE
Atom OE1 of residue 35
GLN
THR
Atom CB of residue 148
Atom OG1 of residue 583
Atom CA of residue 569
Atom OD2 of residue 19
ALA
Atom CA of residue 505
Atom CA of residue 486
Atom CA of residue 542
Atom CA of residue 2692
Atom N of residue 33
Atom CG of residue 46
Atom CA of residue 2672
LYS
Atom CA of residue 89
Atom CA of residue 3
Atom C of residue 488
Atom CB of residue 31
Atom CA of residue 76
Atom CA of residue 536
Atom CG of residue 460
GLN
Atom CG of residue 560
Atom CD of residue 66
Atom O of residue 518
Atom CA of residue 2662
Atom CA of residue 84
GLU
Atom CA of residue 60
Atom CB of residue 81
LYS
Atom CD1 of residue 94
Atom CA of residue 68
PRO
GLU
Atom O of residue 46
Atom CA of residue 440
THR
PHE
GLY
Atom CA of residue 288
Atom CA of residue 50
Atom CA of residue 444
Atom CA of residue 332
LEU
ALA
Atom CA of residue 2661
Atom CA of residue 20
Atom CA of residue 52
Atom CA of residue 56
SER
Atom CG of residue 127
GLU
LEU
1z5s.pdb rigid body
LEU
MET
Atom CA of residue 129
Atom CA of residue 71
AccumulateRigidBodyDerivatives12
Atom N of residue 451
Atom O of residue 21
Atom C of residue 538
Atom CA of residue 39
Atom CA of residue 98
Atom CG1 of residue 148
Atom CG2 of residue 583
Atom C of residue 569
GLY
Atom CA of residue 525
ASN
Atom CA of residue 471
UpdateRigidBodyMembers5
Atom CA of residue 137
Atom C of residue 542
PRO
Atom CA of residue 23
Atom CD of residue 46
Atom CG1 of residue 587
SER
Atom CA of residue 147
Atom C of residue 63
Atom CA of residue 470
Atom C of residue 3
Atom CA of residue 83
ASP
ASP
Atom CA of residue 60
Atom CA of residue 77
Atom CB of residue 155
Atom OG1 of residue 67
Atom CA of residue 36
Atom CA of residue 45
Atom CG of residue 69
Atom CG of residue 10
Atom CA of residue 445
ARG
Atom CA of residue 114
LEU
Atom CA of residue 104
1tdx.pdb
Atom CA of residue 36
Atom CG of residue 141
Atom CA of residue 92
Atom CA of residue 244
Atom NE2 of residue 117
Atom CB of residue 121
SER
VAL
GLY
Atom C of residue 140
Atom C of residue 12
Atom CB of residue 6
MET
Atom NE of residue 60
Fit restraint
LEU
Atom N of residue 70
Atom CA of residue 2
Atom CA of residue 133
ASN
GLU
Atom CA of residue 44
THR
Atom O of residue 59
Atom CA of residue 166
Atom CA of residue 258
GLN
SER
Atom O of residue 488
Atom CB of residue 538
TYR
Atom O of residue 569
LEU
TYR
TYR
THR
Atom CA of residue 43
Atom CG2 of residue 132
SampledDensityMap16
ARG
Atom CA of residue 479
VAL
Atom N of residue 4
ASN
Atom CA of residue 34
Atom C of residue 110
PHE
Atom CA of residue 95
MET
ALA
GLY
Atom N of residue 67
CYS
Atom C of residue 111
LEU
Atom O of residue 441
Atom CA of residue 115
Atom CG1 of residue 469
Atom CA of residue 98
Atom CD2 of residue 94
Atom CA of residue 64
Atom CA of residue 304
Atom OE2 of residue 35
LYS
Atom CG of residue 63
Atom CA of residue 43
Atom CA of residue 324
Atom CA of residue 26
Atom NH2 of residue 114
Atom N of residue 91
LEU
ASP
Atom CA of residue 106
Atom CG of residue 140
Atom CA of residue 530
HIS
ASP
Atom CG2 of residue 587
GLU
ALA
Atom N of residue 20
ASN
GLU
Atom O of residue 103
Atom CA of residue 218
Atom CA of residue 258
Atom CA of residue 90
1tdx.pdb
Atom CB of residue 106
VAL
Atom CB of residue 21
Atom CB of residue 46
SER
GLN
Atom CA of residue 34
Atom N of residue 584
Atom CB of residue 569
Atom CA of residue 2673
GLY
ALA
Atom C of residue 492
Atom CG2 of residue 67
GLU
Atom C of residue 508
Atom CA of residue 139
ILE
Atom CA of residue 70
Atom CD1 of residue 560
Atom CB of residue 518
Atom N of residue 32
Atom CA of residue 48
Atom SD of residue 10
ILE
Atom CA of residue 125
Atom CA of residue 105
Atom O of residue 3
Atom CA of residue 544
Atom CA of residue 55
Atom OD1 of residue 93
Atom CG2 of residue 148
Atom O of residue 110
Atom C of residue 32
Atom CA of residue 529
GLN
Atom C of residue 471
Atom CG of residue 155
Atom CA of residue 459
Writer to fast_temp_000.pdb
Atom CA of residue 62
Atom CA of residue 73
GLY
Atom CA of residue 2675
Atom O of residue 557
TYR
Atom CA of residue 53
Atom CD of residue 127
CYS
Atom CD of residue 80
Atom CA of residue 88
GLU
Atom C of residue 83
Atom CA of residue 112
PHE
Atom O of residue 538
CYS
SER
ASN
Atom CA of residue 129
Atom O of residue 134
Atom CA of residue 38
PHE
Atom CA of residue 262
Atom N of residue 118
Atom CA of residue 132
Atom CA of residue 27
Atom CA of residue 506
PHE
Atom CA of residue 487
Atom CA of residue 23
Atom CG of residue 6
Atom CA of residue 499
Atom CD of residue 69
Atom N of residue 47
Atom CA of residue 526
Atom CB of residue 441
THR
Atom CA of residue 98
VAL
Atom CG of residue 522
GLY
PRO
LYS
ILE
Atom CA of residue 537
1tdx.pdb
Atom N of residue 570
Atom CD of residue 141
Atom CG of residue 81
Atom CA of residue 144
Atom CA of residue 447
Atom CA of residue 37
Atom CA of residue 515
Atom CA of residue 5
Atom O of residue 111
SER
Model 13
LEU
ALA
PRO
Atom CA of residue 497
Atom CA of residue 173
Atom CA of residue 435
Atom O of residue 2
Atom CD of residue 63
Atom CA of residue 441
LYS
Atom CA of residue 61
Atom CA of residue 96
Atom O of residue 12
Atom CA of residue 95
Atom CG of residue 121
LYS
PRO
Atom CZ of residue 60
Atom CA of residue 133
THR
GLN
Atom CA of residue 27
Atom CA of residue 119
Atom CB of residue 103
GLY
Atom CB of residue 59
Atom CA of residue 107
Atom CA of residue 139
Atom CA of residue 237
python stream rigid body
Atom CB of residue 488
GLN
Atom CA of residue 65
Atom CA of residue 77
Atom CA of residue 44
Atom CA of residue 572
Atom CA of residue 106
SER
Atom CA of residue 32
THR
Atom C of residue 135
Atom CA of residue 2677
Atom CA of residue 112
Atom CA of residue 130
Atom CA of residue 84
Atom CA of residue 106
Atom CD of residue 12
ARG
Atom CA of residue 416
Atom C of residue 20
Atom CA of residue 61
Atom CA of residue 94
SER
ASN
VAL
THR
VAL
Atom C of residue 106
ASP
GLN
Atom CA of residue 97
LEU
Atom CA of residue 81
LYS
Atom CA of residue 10
Atom CD1 of residue 132
ASP
Atom CA of residue 103
Atom CA of residue 82
Atom NE of residue 80
Atom CG of residue 100
Atom C of residue 98
Atom OD2 of residue 93
Atom C of residue 129
ASP
Atom O of residue 32
Atom NE of residue 13
Atom CA of residue 269
SER
Atom CA of residue 24
Atom C of residue 48
ALA
Atom CA of residue 84
Atom N of residue 36
Atom CA of residue 8
GLU
Atom N of residue 107
Atom O of residue 542
Atom CA of residue 69
Atom CA of residue 33
ALA
ALA
Atom CB of residue 111
PRO
Atom O of residue 135
Atom CD1 of residue 81
GLY
VAL
Atom CG2 of residue 469
Atom CA of residue 289
Atom CD1 of residue 155
Atom N of residue 68
Atom C of residue 459
GLN
Atom CA of residue 531
VAL
GLU
Atom CB of residue 77
Atom CA of residue 38
Atom CA of residue 106
Atom CA of residue 480
VAL
Atom C of residue 4
Atom CA of residue 335
Atom CA of residue 2662
Atom C of residue 45
Atom CA of residue 35
Atom CB of residue 557
Atom CA of residue 82
Atom C of residue 38
LYS
Atom O of residue 492
THR
Atom CA of residue 11
Atom O of residue 117
VAL
Atom OD1 of residue 6
Atom CA of residue 526
Atom N of residue 128
Atom CA of residue 24
THR
Atom CA of residue 242
Atom CA of residue 45
Atom CA of residue 459
Atom CA of residue 2661
Atom CD1 of residue 522
GLN
Atom CA of residue 22
Atom CA of residue 436
ILE
Atom CB of residue 123
Atom CA of residue 96
Atom O of residue 63
Atom O of residue 83
ALA
Atom CA of residue 451
Atom C of residue 8
Atom CA of residue 562
GLU
Atom CA of residue 446
Atom CG of residue 441
LEU
Atom CA of residue 259
SER
Atom CA of residue 29
ARG
PRO
Atom CA of residue 59
Atom CG1 of residue 518
Atom NE of residue 69
Atom O of residue 98
Atom CA of residue 107
Atom CA of residue 70
ALA
Atom CA of residue 33
Atom CB of residue 135
VAL
LYS
Atom OE1 of residue 12
ARG
Atom N of residue 149
LEU
ALA
Atom CA of residue 51
SER
ARG
ILE
ASP
Atom CD2 of residue 560
Atom CG of residue 33
VAL
ASN
Atom CA of residue 2663
Atom C of residue 572
Atom CA of residue 27
Atom CA of residue 126
PHE
Atom CA of residue 60
Atom N of residue 95
ILE
Atom CA of residue 63
Atom CA of residue 2693
PRO
Atom NH1 of residue 60
Atom CA of residue 134
Atom CG of residue 46
Atom CA of residue 40
Atom OE1 of residue 63
GLY
Atom CG of residue 103
ASP
ILE
GLN
Atom O of residue 45
GLY
LYS
Atom OXT of residue 587
PRO
Atom CA of residue 97
Atom CA of residue 2674
ARG
VAL
Atom CA of residue 271
Atom CA of residue 445
ILE
GLN
Atom N of residue 5
Atom CA of residue 131
Atom C of residue 81
GLU
Atom O of residue 48
GLN
Atom O of residue 8
Atom CA of residue 527
PRO
ARG
Atom O of residue 471
ARG
Atom CA of residue 22
Atom CA of residue 305
Atom CA of residue 86
Atom CA of residue 325
PHE
ILE
LEU
ALA
Atom CB of residue 110
ASP
Atom CG of residue 135
LEU
Atom N of residue 470
Atom O of residue 459
Atom O of residue 140
LEU
Atom CA of residue 61
ARG
LEU
Atom CA of residue 78
Atom CA of residue 83
Atom CZ of residue 80
Atom CA of residue 3
LYS
Atom OD1 of residue 121
GLN
ASP
Atom CD of residue 33
Atom C of residue 33
Atom CA of residue 55
Atom CA of residue 11
Atom N of residue 94
Atom CA of residue 127
Atom C of residue 436
GLU
ILE
Atom CA of residue 167
Atom CB of residue 63
Atom CD2 of residue 522
ALA
TYR
CYS
Atom N of residue 115
LEU
Atom CA of residue 460
Atom N of residue 461
TYR
Atom CA of residue 140
Atom CB of residue 542
Atom CG2 of residue 518
Atom CA of residue 47
ARG
Atom CG of residue 111
Atom CA of residue 75
Atom CA of residue 93
VAL
MET
Atom CA of residue 4
Atom CA of residue 130
Atom CG of residue 488
Atom CA of residue 107
Atom CA of residue 74
PRO
Atom CA of residue 84
ASP
Atom CA of residue 54
PHE
Atom CA of residue 498
Atom CD2 of residue 155
Atom CA of residue 89
GLY
Atom CA of residue 61
LYS
Atom N of residue 561
Atom CG of residue 557
Atom CZ of residue 69
Atom CA of residue 12
PHE
Atom CA of residue 93
Atom CA of residue 264
ALA
Atom CB of residue 492
GLU
Atom CB of residue 83
SER
SER
Atom CD of residue 46
Atom CB of residue 98
Atom CA of residue 134
LEU
PHE
Atom CA of residue 585
PHE
Atom CB of residue 471
Atom CZ of residue 13
Atom CA of residue 507
Atom CA of residue 488
ARG
Atom O of residue 20
Atom CA of residue 238
Atom OD2 of residue 6
Atom NE of residue 33
Atom CA of residue 227
Atom CA of residue 434
/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/input/in.mrc
Atom NE of residue 141
ILE
Atom C of residue 119
PHE
Atom CG of residue 59
LYS
ASN
SER
Atom CA of residue 532
HIS
Atom CA of residue 39
Atom CA of residue 538
Atom CA of residue 91
Atom O of residue 106
TYR
GLN
Atom CA of residue 95
PHE
LEU
Atom CA of residue 2679
Atom CA of residue 22
Atom CA of residue 74
CYS
Atom CA of residue 272
mol1 rigid body
ASN
Atom CA of residue 140
ILE
GLU
MET
LEU
GLU
Atom CD of residue 8
HIS
MET
Atom CG of residue 48
Atom CA of residue 83
SER
CYS
Atom CA of residue 63
Atom CD of residue 441
ILE
Atom CA of residue 107
ILE
Atom NE2 of residue 63
Atom CA of residue 584
Atom N of residue 111
TYR
GLU
Atom CA of residue 530
Atom CA of residue 2678
Atom CA of residue 2662
Atom CB of residue 140
Atom CA of residue 500
Atom CA of residue 528
Atom CA of residue 85
Atom CG1 of residue 45
ARG
ILE
GLN
Atom CA of residue 94
Atom O of residue 129
HIS
LYS
Atom CA of residue 118
LEU
Atom SD of residue 488
Atom CA of residue 535
GLY
Atom CA of residue 54
MET
Atom CA of residue 149
Atom CA of residue 442
ILE
Atom O of residue 38
GLU
Atom CD2 of residue 81
THR
Atom CA of residue 436
PHE
ARG
Atom C of residue 47
Atom CA of residue 516
ILE
ARG
PHE
GLU
Atom CA of residue 62
Atom O of residue 119
Atom CD1 of residue 103
Atom O of residue 436
GLY
VAL
Atom CA of residue 173
Atom CA of residue 108
Atom CA of residue 2676
Atom CG of residue 538
Atom CA of residue 4
Atom O of residue 572
Atom CZ of residue 77
Atom CA of residue 84
Atom CA of residue 268
Atom CB of residue 106
Atom CE1 of residue 155
Atom CA of residue 68
Atom C of residue 61
Atom ND2 of residue 121
Atom CB of residue 459
Atom CA of residue 545
Atom C of residue 451
Atom CZ of residue 33
Atom CA of residue 85
VAL
Atom CA of residue 28
ASP
Atom CZ of residue 141
Atom NH1 of residue 80
ILE
Atom CA of residue 290
Atom OD1 of residue 59
Atom CG of residue 63
LEU
Atom CA of residue 2678
ASP
Atom CA of residue 97
Atom CB of residue 20
Atom N of residue 7
Atom SD of residue 48
Fit restraint scratch map
Atom CA of residue 417
TRP
Atom CA of residue 41
Atom CA of residue 133
Atom CA of residue 36
Atom CA of residue 40
Atom CA of residue 108
Atom C of residue 70
Atom CA of residue 46
ASP
TYR
Atom NH1 of residue 13
Atom CA of residue 446
Atom CA of residue 113
Atom N of residue 523
Atom CA of residue 132
LEU
LEU
ALA
Atom OE2 of residue 12
Atom CA of residue 46
ILE
Atom CA of residue 273
ALA
Atom CA of residue 62
Atom CA of residue 2629
Atom CA of residue 135
Atom C of residue 91
Atom CA of residue 128
Atom CB of residue 38
Atom CA of residue 76
Atom CA of residue 79
ALA
LYS
GLY
Atom OG of residue 471
Atom O of residue 61
ILE
Atom CA of residue 60
Atom CB of residue 8
Atom CA of residue 435
ARG
ALA
Atom NH1 of residue 141
Atom CA of residue 75
Atom CA of residue 104
Atom N of residue 442
Atom CA of residue 46
Atom NH1 of residue 84
Atom CD of residue 538
Chain  
LEU
Atom N of residue 122
GLU
Atom NH2 of residue 60
Atom CA of residue 2664
LEU
Atom CA of residue 36
ARG
Atom CD2 of residue 103
Atom CA of residue 52
MET
Atom CG of residue 492
Atom CA of residue 260
ALA
Atom CA of residue 336
THR
NullModifier2
Atom CA of residue 12
LEU
ASP
Atom CB of residue 33
Atom CD of residue 557
ASN
THR
PRO
Atom CA of residue 466
Atom CA of residue 94
GLU
VAL
Atom CA of residue 447
GLN
Atom CG of residue 542
Atom CA of residue 64
Atom O of residue 451
LYS
LYS
ASN
ARG
Atom CA of residue 41
Atom CA of residue 28
Atom CA of residue 447
Atom CA of residue 527
Atom CA of residue 108
Atom C of residue 118
Atom CA of residue 107
MET
ILE
Atom CG2 of residue 45
Atom CA of residue 458
Atom CA of residue 9
Atom CA of residue 3
Atom N of residue 64
Atom CB of residue 572
Atom O of residue 70
THR
PHE
LEU
THR
Atom CG of residue 459
Atom CA of residue 141
Atom CA of residue 67
LEU
Atom CA of residue 306
Atom N of residue 13
Atom CA of residue 326
LEU
Atom CA of residue 528
Atom CG of residue 110
MET
Atom CA of residue 23
Atom NH2 of residue 80
Atom CA of residue 482
Atom CA of residue 456
Atom CA of residue 30
Atom CE of residue 488
Atom N of residue 519
HIS
Atom CA of residue 263
ALA
ASP
Atom CB of residue 61
LEU
LEU
Atom OE1 of residue 83
Atom CA of residue 2663
VAL
GLY
Atom CA of residue 13
Atom N of residue 130
Atom CB of residue 119
SER
Atom CD of residue 8
PHE
MET
Atom NH1 of residue 69
Atom CG of residue 98
Atom CA of residue 109
Atom CA of residue 47
/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/input/1z5s.mrc
Atom CA of residue 133
PRO
Atom CA of residue 85
LEU
Atom CA of residue 116
Atom N of residue 107
Atom CA of residue 168
Atom CA of residue 138
Atom CA of residue 48
PRO
Atom C of residue 149
GLU
TRP
Atom CA of residue 75
Atom NH1 of residue 33
Atom CD1 of residue 45
ALA
ARG
Atom CA of residue 23
Atom O of residue 91
Atom CB of residue 117
Atom CA of residue 531
Atom CA of residue 159
Atom CA of residue 95
CYS
Atom CA of residue 108
Atom CE of residue 48
PRO
Atom CA of residue 85
SER
python stream rigid body rigid body positions
LEU
Atom NH2 of residue 84
Atom CG of residue 33
Atom O of residue 47
SER
LEU
Atom CB of residue 436
Atom CA of residue 470
LEU
Atom CD1 of residue 63
Atom CA of residue 133
Atom CA of residue 34
Atom CA of residue 82
Atom CA of residue 118
ARG
LEU
Atom CA of residue 586
Atom CA of residue 100
Atom CA of residue 499
ALA
Atom CA of residue 546
Atom CA of residue 228
Atom CA of residue 64
ILE
GLY
Atom C of residue 133
Atom CA of residue 467
Atom CG of residue 38
ASP
Atom CA of residue 95
ARG
Atom CA of residue 23
ARG
Atom CD1 of residue 4
Atom OE2 of residue 83
Atom CA of residue 109
python stream rigid body rigid body positions
Atom C of residue 36
ARG
VAL
CYS
Atom OD1 of residue 492
GLN
Atom NH2 of residue 33
GLU
HIS
Atom N of residue 539
Atom CA of residue 459
Atom CA of residue 7
GLY
Atom CA of residue 38
Atom CD of residue 111
Atom CA of residue 38
Atom CA of residue 101
Atom CA of residue 437
Atom CD1 of residue 542
Atom N of residue 61
THR
LYS
ASP
Atom NE1 of residue 103
PRO
Atom N of residue 472
Atom CA of residue 461
GLU
Atom CA of residue 239
Atom N of residue 558
Atom NH2 of residue 69
Atom CA of residue 436
Atom CA of residue 84
Atom C of residue 94
SER
PRO
Atom CA of residue 114
1tdx.pdb
PRO
LEU
Atom CA of residue 55
Atom CE2 of residue 155
Atom C of residue 68
Atom CA of residue 508
ILE
Atom CA of residue 561
Atom CA of residue 501
Atom CA of residue 529
Atom CA of residue 13
Atom N of residue 46
Atom CB of residue 70
Atom O of residue 133
GLU
Atom CA of residue 63
SER
THR
Atom O of residue 118
Atom CB of residue 5
Atom OD1 of residue 140
Atom CA of residue 110
Atom CA of residue 19
PHE
LEU
Atom ND1 of residue 98
Atom CA of residue 539
Atom O of residue 149
Atom CG of residue 146
Atom CA of residue 443
Atom CA of residue 105
Atom CA of residue 263
Atom CA of residue 457
Atom CA of residue 508
Atom O of residue 41
THR
GLN
LEU
Atom CA of residue 517
GLY
GLY
THR
Atom CA of residue 241
Atom CA of residue 14
ILE
Atom CD2 of residue 63
ASN
Atom CA of residue 134
Atom CA of residue 85
Atom N of residue 24
Atom NH2 of residue 141
Atom CA of residue 291
GLU
Atom CA of residue 44
HIS
THR
SER
Atom CA of residue 86
Atom OG1 of residue 436
ASP
PRO
Atom C of residue 107
Atom C of residue 95
ILE
Atom CA of residue 88
LEU
LEU
ILE
Atom OD2 of residue 59
Atom N of residue 34
Atom C of residue 13
Atom CA of residue 46
Atom OD1 of residue 33
Atom N of residue 48
Atom OG1 of residue 8
Atom CA of residue 24
Atom OD1 of residue 110
Atom OE1 of residue 111
Atom CA of residue 448
Atom CA of residue 418
Atom C of residue 128
SER
Atom CA of residue 109
Atom C of residue 470
Atom OD2 of residue 492
Atom N of residue 6
ILE
Atom O of residue 36
Atom CD of residue 146
Atom CB of residue 91
LEU
LYS
Atom CA of residue 2679
ILE
Atom CB of residue 8
Atom CA of residue 48
Atom O of residue 68
PHE
Atom CA of residue 13
VAL
PHE
ILE
ASN
Atom CG of residue 119
TYR
TYR
Atom N of residue 489
Atom CA of residue 533
ARG
PHE
Atom OG of residue 572
Atom CA of residue 63
Atom CA of residue 48
GLY
Atom CA of residue 80
Atom CA of residue 82
ALA
ALA
Atom CZ of residue 155
Atom CA of residue 133
Atom CA of residue 523
GLU
Atom CA of residue 490
Atom C of residue 561
LYS
Atom CA of residue 58
Atom CA of residue 437
LYS
Atom CB of residue 133
PRO
Atom CA of residue 132
Atom CA of residue 47
Atom CA of residue 281
Atom N of residue 84
ILE
VAL
Atom CA of residue 2665
PRO
ASP
Atom C of residue 461
Atom CD of residue 459
Atom CB of residue 41
VAL
Atom CA of residue 7
Atom CB of residue 451
Atom CA of residue 519
Atom CA of residue 581
Atom CA of residue 86
UpdateRigidBodyMembers4
PHE
Atom CA of residue 449
Atom O of residue 128
ALA
ILE
GLN
Atom CA of residue 174
ASP
Atom CA of residue 37
Atom CA of residue 5
MET
Atom CE of residue 146
Atom CD1 of residue 38
Atom CA of residue 25
Atom CA of residue 261
Atom CA of residue 122
PHE
ASN
Atom CA of residue 19
ALA
VAL
Atom CB of residue 48
Atom N of residue 70
Atom CA of residue 5
Atom CD2 of residue 98
Atom CA of residue 29
Atom CA of residue 39
Atom CA of residue 528
Atom CA of residue 62
Atom N of residue 81
Atom CB of residue 118
Atom CA of residue 130
Atom O of residue 107
Atom CA of residue 2663
Atom CA of residue 338
Atom CA of residue 2677
Chain A
GLY
Atom CA of residue 327
LEU
Atom CA of residue 110
Atom CA of residue 39
PRO
LYS
Atom CA of residue 464
TRP
Atom N of residue 60
Atom O of residue 6
ALA
Atom CA of residue 134
THR
LEU
PHE
LEU
Atom CA of residue 130
Atom CA of residue 442
Atom CA of residue 483
ILE
Atom O of residue 95
Atom ND2 of residue 140
Atom CA of residue 32
Atom CA of residue 56
Atom CA of residue 95
THR
ALA
Atom CB of residue 117
LEU
ALA
Atom CA of residue 73
Atom CA of residue 117
Atom N of residue 64
Atom CA of residue 135
ALA
Atom N of residue 85
Atom N of residue 573
PRO
Atom NZ of residue 146
Atom OG1 of residue 91
Atom C of residue 82
Atom CA of residue 101
Atom CA of residue 107
Atom CD2 of residue 542
Atom CA of residue 65
Atom CA of residue 76
Atom CA of residue 87
GLY
GLY
Atom O of residue 94
LEU
GLU
Atom CD2 of residue 119
Atom CE2 of residue 103
Atom CA of residue 87
Atom CA of residue 519
Atom CA of residue 53
ALA
Atom CD2 of residue 4
Atom CA of residue 548
Atom CA of residue 2664
LEU
Atom O of residue 33
LEU
Atom CA of residue 24
Atom OG of residue 70
LYS
Atom CA of residue 49
Atom CA of residue 128
SER
Atom C of residue 61
Atom CA of residue 91
Atom CA of residue 532
MET
Atom OE1 of residue 459
GLU
Atom CA of residue 587
Atom CB of residue 13
ASN
Atom CA of residue 42
Atom CG of residue 39
Atom CA of residue 86
Atom CA of residue 529
ARG
Atom CA of residue 110
Atom CA of residue 282
ALA
PHE
SER
SER
PRO
LEU
Atom CA of residue 126
Atom O of residue 461
Atom C of residue 5
Atom N of residue 69
LEU
Atom C of residue 523
Atom CA of residue 240
Atom CG of residue 451
Atom O of residue 62
Atom CB of residue 36
MET
Atom CA of residue 31
Atom OD2 of residue 110
GLY
Atom CA of residue 500
Atom CG1 of residue 107
Atom O of residue 561
Atom CA of residue 229
Atom CA of residue 6
Atom N of residue 39
Atom N of residue 493
Atom N of residue 156
GLY
Atom CA of residue 37
Atom C of residue 7
Atom CA of residue 9
Atom CG of residue 133
MET
Atom CA of residue 257
LEU
Atom CA of residue 85
Atom CA of residue 66
Atom CD1 of residue 12
Atom CA of residue 111
Atom N of residue 147
LYS
Atom N of residue 142
Atom CA of residue 77
THR
Atom O of residue 470
Atom CA of residue 169
Atom CA of residue 109
Atom CA of residue 101
Atom CD of residue 39
GLN
LYS
Atom CE3 of residue 103
SampledDensityMap86
GLN
Atom CA of residue 2
PHE
TYR
ASP
VAL
LEU
Atom CA of residue 34
ASP
Atom CA of residue 558
Atom CA of residue 455
ALA
GLN
HIS
Atom CA of residue 2680
LYS
Atom CG2 of residue 436
Atom CA of residue 115
Atom CA of residue 438
Atom CA of residue 45
Atom CB of residue 62
Atom CA of residue 49
Atom C of residue 130
Atom C of residue 442
Atom CA of residue 77
PRO
Atom CA of residue 509
Atom CA of residue 64
Atom CA of residue 534
Atom CA of residue 2678
Atom CA of residue 89
Atom CA of residue 20
THR
GLY
Atom N of residue 71
Atom CA of residue 37
Atom CA of residue 465
GLY
ARG
Atom O of residue 5
Atom CA of residue 135
ARG
PRO
ARG
THR
Atom CA of residue 540
Atom CA of residue 106
Atom CA of residue 587
GLU
GLN
ARG
Atom C of residue 519
GLN
Atom CA of residue 64
Atom O of residue 61
Atom O of residue 82
ASP
Atom CA of residue 292
Atom CB of residue 95
Atom N of residue 543
LEU
TYR
TYR
Atom CG of residue 13
Atom CA of residue 87
PHE
PRO
Atom CG of residue 61
Atom CA of residue 489
Atom C of residue 34
PRO
Atom CB of residue 24
VAL
GLU
CYS
Atom CA of residue 85
ASN
SER
THR
ALA
VAL
Atom CG of residue 36
Atom C of residue 64
LEU
VAL
Atom O of residue 130
Atom CA of residue 88
LYS
PRO
Atom CA of residue 472
LEU
Atom CD2 of residue 12
Atom CG of residue 41
Atom CA of residue 539
ASN
GLU
Atom CA of residue 66
PRO
Atom CA of residue 92
SER
ASP
Atom NE2 of residue 459
LYS
Atom CD of residue 451
Atom CA of residue 8
Atom CG of residue 13
Atom N of residue 40
ALA
Atom CB of residue 94
Atom CE2 of residue 41
Atom OE2 of residue 111
PHE
Atom CB of residue 128
Atom CA of residue 171
LYS
Chain A
Atom C of residue 122
Atom CA of residue 502
Atom CA of residue 530
PRO
Atom O of residue 118
Atom CD2 of residue 24
ARG
Atom N of residue 437
LYS
Atom CG of residue 118
Atom CB of residue 470
Atom N of residue 141
Atom CA of residue 547
LYS
Atom CE1 of residue 98
Envelope penetration restraint
Atom CB of residue 461
Atom CG2 of residue 107
Atom CA of residue 415
Atom CA of residue 491
Atom CA of residue 69
Atom O of residue 34
Atom CA of residue 2666
Atom CA of residue 469
GLU
ARG
Atom CA of residue 518
Atom CA of residue 48
Atom CA of residue 520
PHE
Atom CA of residue 262
Atom CA of residue 34
ILE
Atom O of residue 63
Atom CD of residue 133
VAL
VAL
ALA
Atom CD1 of residue 41
Atom CB of residue 561
LEU
Atom CA of residue 70
AccumulateRigidBodyDerivatives9
Atom CA of residue 38
Atom CA of residue 21
Atom CA of residue 78
Atom CA of residue 96
P2
Atom CA of residue 283
GLN
Atom CA of residue 582
Atom CA of residue 84
ALA
Atom NE of residue 17
SER
Atom CA of residue 48
Atom CA of residue 89
Atom CA of residue 585
ARG
ASP
ARG
Atom CA of residue 2664
SER
PHE
ASN
Atom CA of residue 85
GLU
Atom O of residue 519
Atom C of residue 89
Atom CA of residue 328
Atom CA of residue 86
Atom CA of residue 142
Atom CA of residue 419
python stream rigid body
PHE
Atom N of residue 120
Atom CA of residue 72
Atom CA of residue 111
Atom CA of residue 481
Atom CA of residue 175
Atom OG of residue 95
ASN
LYS
Atom C of residue 558
HIS
Atom CA of residue 64
MET
LYS
Atom CG2 of residue 91
Atom CA of residue 57
Atom CA of residue 81
Atom CA of residue 266
ILE
Atom C of residue 107
python stream rigid body rigid body positions
Atom CA of residue 328
Atom CA of residue 448
Fit restraint scratch map
Atom CD of residue 61
Atom N of residue 10
Atom O of residue 7
Atom CA of residue 86
Atom C of residue 539
Atom OG1 of residue 24
VAL
GLY
LEU
THR
GLY
THR
LYS
Atom N of residue 112
ALA
Atom O of residue 122
LEU
Atom O of residue 523
GLY
Atom CA of residue 43
PHE
LYS
Atom CA of residue 4
ASN
Atom CA of residue 51
P1
Atom CZ2 of residue 103
Atom CA of residue 102
PHE
Atom CD of residue 118
Atom CA of residue 170
Atom CA of residue 64
ARG
Atom CA of residue 77
Atom CA of residue 7
GLN
Atom CA of residue 30
Atom CG1 of residue 94
Atom CE3 of residue 41
Atom CA of residue 142
Atom CA of residue 8
Atom CA of residue 60
Atom C of residue 472
Atom CE1 of residue 20
Atom CA of residue 66
Atom CB of residue 34
Atom CA of residue 2679
Atom CA of residue 6
VAL
VAL
Atom CG1 of residue 148
Atom CA of residue 129
Atom CE1 of residue 128
Atom CA of residue 2636
Atom O of residue 442
Atom CA of residue 81
GLN
Atom C of residue 543
Atom CA of residue 2665
Atom CA of residue 38
Atom CA of residue 573
Atom CA of residue 31
Atom CA of residue 457
Atom N of residue 82
Atom CA of residue 89
Atom OG1 of residue 461
VAL
Atom CD1 of residue 107
GLY
Atom CA of residue 2629
PRO
Atom NE2 of residue 98
Atom CA of residue 21
Atom CA of residue 530
Atom CA of residue 529
Atom CA of residue 118
Atom CA of residue 91
GLN
Atom NE of residue 13
Atom O of residue 64
SER
Atom CA of residue 464
Atom CA of residue 15
Atom CA of residue 112
Atom CA of residue 97
Atom NH1 of residue 77
Chain D
Atom O of residue 107
Atom CA of residue 172
Atom CA of residue 156
LYS
GLY
Atom N of residue 460
Atom CA of residue 136
LYS
Atom N of residue 452
Atom O of residue 558
Atom CE1 of residue 24
GLN
Atom CA of residue 44
Atom CA of residue 12
ALA
PHE
LYS
Atom CA of residue 284
Atom CA of residue 501
ASP
Atom CB of residue 63
LYS
Atom N of residue 92
Atom CA of residue 69
MET
Atom CA of residue 65
Atom CA of residue 72
UpdateRigidBodyMembers15
Atom CA of residue 2682
PHE
Atom CA of residue 470
HIS
LEU
Atom CA of residue 77
Atom C of residue 489
SER
ILE
Atom N of residue 134
Atom CA of residue 65
ASP
Atom CA of residue 533
Atom CA of residue 493
PRO
Atom CG of residue 122
Atom CD2 of residue 41
Atom CA of residue 241
Atom CB of residue 7
Atom CA of residue 110
TYR
Atom CA of residue 21
VAL
PRO
Atom CG2 of residue 148
VAL
PRO
Atom CA of residue 54
Atom CA of residue 337
Atom CA of residue 543
Atom CA of residue 23
Atom O of residue 539
Atom CZ of residue 17
TYR
SER
ILE
LYS
Atom CA of residue 2681
LEU
LEU
Atom NE2 of residue 20
GLN
Atom CA of residue 439
LYS
Atom CA of residue 503
Atom CA of residue 531
Atom N of residue 13
Atom CA of residue 10
Atom CA of residue 40
Atom CA of residue 87
Atom CA of residue 453
PHE
Atom CB of residue 130
TYR
Atom C of residue 81
Atom CA of residue 112
HIS
Atom N of residue 562
SER
Atom CA of residue 583
Atom CA of residue 240
Atom O of residue 472
Atom CB of residue 107
Atom CD of residue 36
LEU
Atom CA of residue 519
VAL
Atom CB of residue 442
GLU
ASP
Atom CA of residue 147
Atom CA of residue 293
ARG
Atom C of residue 64
PRO
SER
Atom CA of residue 230
THR
GLU
ASP
VAL
Atom CA of residue 458
Atom C of residue 142
Atom CG1 of residue 470
Atom C of residue 60
Atom CA of residue 521
Atom CA of residue 111
PHE
Atom CA of residue 88
GLY
TYR
Atom OE1 of residue 118
Atom C of residue 85
Atom CB of residue 519
ASP
Atom O of residue 89
VAL
LYS
Atom C of residue 573
Atom CA of residue 90
Atom CA of residue 86
Atom CA of residue 465
ARG
Atom CA of residue 113
Atom CA of residue 57
SER
Atom NH2 of residue 77
Atom CA of residue 116
Atom CB of residue 523
GLN
Atom CA of residue 134
LYS
Chain D
Atom CA of residue 102
Atom CA of residue 44
Atom C of residue 40
Atom CA of residue 12
LYS
Atom CA of residue 420
Atom O of residue 489
Atom CA of residue 465
Atom NH1 of residue 17
Atom N of residue 99
Atom CA of residue 82
Atom CG of residue 128
Atom CA of residue 159
VAL
SER
Atom OD2 of residue 6
Atom CA of residue 78
THR
Atom CA of residue 107
LEU
Atom C of residue 120
Atom CZ3 of residue 103
ARG
ALA
Atom O of residue 64
Atom CA of residue 510
GLY
Atom C of residue 70
ALA
Atom CB of residue 64
Atom CA of residue 71
Atom CE of residue 481
ALA
Atom CB of residue 107
Atom CA of residue 173
Atom O of residue 60
Atom CA of residue 137
LEU
PRO
THR
Atom CA of residue 2667
Atom CB of residue 558
ARG
Atom CA of residue 541
THR
VAL
Atom CA of residue 79
P3
Atom CA of residue 334
ARG
Atom CA of residue 489
Atom CA of residue 50
ASP
LEU
Atom CA of residue 111
VAL
ALA
ILE
Atom CA of residue 437
Atom C of residue 493
Atom N of residue 96
Atom CG of residue 523
GLY
Atom C of residue 84
GLU
LYS
ALA
Atom OE1 of residue 36
Atom O of residue 40
Atom CG2 of residue 94
GLU
Atom CA of residue 2665
ARG
Atom C of residue 141
ASP
ARG
Atom CG2 of residue 24
VAL
Atom CA of residue 49
Atom CA of residue 99
PHE
LEU
GLY
TRP
Atom CG2 of residue 470
Atom CA of residue 263
Atom CD of residue 122
ALA
Atom CA of residue 329
VAL
Atom N of residue 149
Atom CA of residue 530
Atom CA of residue 2636
Atom O of residue 81
PHE
Atom CA of residue 119
ARG
Atom N of residue 21
Atom CA of residue 329
Atom CA of residue 449
Atom CA of residue 235
ASP
P0
Atom CA of residue 65
Atom CA of residue 4
Atom CZ2 of residue 41
Atom CG of residue 130
Atom CA of residue 2637
Atom CA of residue 82
ARG
ARG
Atom CA of residue 176
Atom NE of residue 61
ALA
Atom CA of residue 78
Atom CG of residue 519
Atom CB of residue 539
Atom O of residue 70
Atom C of residue 111
ILE
VAL
THR
Atom CA of residue 101
TRP
Atom CA of residue 58
GLN
Atom CB of residue 472
Atom CG2 of residue 461
ASN
Atom CB of residue 21
Atom O of residue 543
ASN
ALA
Atom CB of residue 89
Atom CA of residue 471
VAL
Atom CA of residue 141
Atom CA of residue 69
Atom CA of residue 49
Atom CA of residue 171
ILE
LEU
Atom CG of residue 63
LEU
Atom CA of residue 46
ALA
Atom CA of residue 112
Atom CA of residue 56
Atom C of residue 156
Atom C of residue 69
Atom O of residue 141
GLN
GLN
Atom CB of residue 85
Atom CA of residue 40
Atom NH2 of residue 17
Atom CZ of residue 24
GLU
HIS
Atom CA of residue 32
Atom CA of residue 14
AccumulateRigidBodyDerivatives20
Atom CA of residue 120
Atom CA of residue 97
Atom CA of residue 280
Atom OE2 of residue 118
Atom CB of residue 60
Atom CA of residue 453
ILE
Atom CA of residue 135
Atom O of residue 84
LYS
Atom CA of residue 39
Atom NH2 of residue 13
Atom CB of residue 40
Atom CA of residue 88
VAL
GLN
Atom CZ of residue 61
Atom CA of residue 135
Atom OG1 of residue 7
Atom CA of residue 466
Atom N of residue 25
LEU
Atom CA of residue 83
Atom C of residue 71
Atom O of residue 111
Atom CA of residue 450
Atom CA of residue 160
Atom CA of residue 103
Atom CA of residue 113
Atom CA of residue 242
VAL
GLY
Atom CD1 of residue 94
Atom CA of residue 17
GLU
Atom CH2 of residue 103
Atom CB of residue 61
VAL
Atom CG of residue 21
Atom CB of residue 489
Atom CA of residue 231
Atom CA of residue 130
ILE
PRO
Atom C of residue 437
Atom CA of residue 174
Atom OE1 of residue 122
ASP
Atom CA of residue 2666
ARG
ARG
TRP
ASP
GLU
PRO
Atom N of residue 25
SER
Atom CD1 of residue 119
Atom OG of residue 442
HIS
Atom CA of residue 98
GLU
VAL
Atom CA of residue 22
Atom NE2 of residue 36
SER
Atom C of residue 4
Atom CZ3 of residue 41
Atom CA of residue 32
HIS
GLU
Atom CA of residue 92
Atom CD1 of residue 128
TYR
Atom CA of residue 534
Atom N of residue 462
Atom O of residue 156
Atom N of residue 108
Atom CD1 of residue 523
Atom CA of residue 153
THR
Atom CA of residue 549
Atom CA of residue 67
GLY
GLU
ILE
Atom CG of residue 64
ASP
ASN
Atom CA of residue 148
Atom O of residue 142
Atom CA of residue 116
Atom CA of residue 134
THR
LEU
LYS
Atom N of residue 471
Atom CA of residue 67
Atom CA of residue 76
ARG
LYS
Atom CA of residue 562
Atom CD of residue 63
LYS
Atom O of residue 573
LYS
ARG
SER
PHE
PHE
Atom CG1 of residue 107
Atom N of residue 473
Atom CA of residue 522
Atom O of residue 69
Atom CA of residue 511
Atom CA of residue 70
Atom CA of residue 504
Atom CA of residue 532
Atom CA of residue 103
Atom CA of residue 534
Atom CA of residue 13
Atom CA of residue 531
VAL
LEU
GLY
Atom CA of residue 13
PRO
Atom CA of residue 461
Atom CA of residue 542
Atom CA of residue 114
Atom C of residue 112
Atom CG of residue 61
ARG
Atom CA of residue 294
Atom CA of residue 460
Atom CA of residue 138
Atom CG2 of residue 7
Atom CA of residue 452
Atom CB of residue 70
Atom CA of residue 520
Atom CB of residue 111
GLY
LYS
ARG
Atom CA of residue 99
TRP
Atom N of residue 119
Atom CA of residue 502
Atom CB of residue 64
Atom CA of residue 112
Atom CA of residue 536
Atom N of residue 14
ASP
Atom O of residue 15
ALA
Atom CA of residue 99
ASN
Atom CA of residue 2680
Atom CA of residue 22
Atom CA of residue 5
SER
ASN
GLY
Atom CB of residue 81
ASP
Atom CB of residue 122
Atom CG of residue 9
TYR
LYS
Atom CA of residue 91
GLY
Atom CA of residue 2682
Atom O of residue 493
Atom CA of residue 117
THR
Atom CA of residue 111
Atom CA of residue 432
Atom C of residue 75
Atom CA of residue 421
Atom CA of residue 80
Atom N of residue 443
LEU
PRO
Atom CA of residue 96
Atom C of residue 13
PHE
Atom CA of residue 2632
THR
LEU
Atom CA of residue 149
LEU
Atom NH1 of residue 61
GLY
Atom CA of residue 136
Atom CD of residue 21
GLU
Atom CA of residue 80
Atom CA of residue 108
Atom CA of residue 161
LEU
Atom CA of residue 114
Atom CB of residue 141
Atom CA of residue 40
Atom C of residue 562
Atom CA of residue 461
Atom OG of residue 89
Atom CA of residue 2668
Atom O of residue 71
Atom N of residue 95
Atom O of residue 112
Atom CG2 of residue 107
Atom CA of residue 11
Atom CG of residue 558
Atom CA of residue 89
Atom CA of residue 10
ASP
P0
ALA
Atom CB of residue 142
Atom OD1 of residue 130
Atom SD of residue 62
Atom CA of residue 175
Atom CA of residue 148
Atom CA of residue 50
Atom CA of residue 478
Atom CA of residue 24
Atom CG of residue 85
Atom ND1 of residue 519
Atom CG of residue 539
Atom N of residue 18
ASP
Atom CB of residue 573
Atom CA of residue 51
SER
Atom C of residue 92
ASN
Atom CA of residue 39
LYS
Atom CA of residue 50
Atom SD of residue 64
ALA
ILE
Atom CA of residue 59
PHE
MET
Atom CB of residue 543
HIS
Atom CA of residue 330
Atom CA of residue 87
Atom CA of residue 115
Atom CA of residue 451
ASP
GLY
Atom CB of residue 156
Atom CA of residue 177
THR
Atom CD2 of residue 523
Atom CA of residue 36
ILE
Atom N of residue 490
TRP
Atom N of residue 37
Atom CA of residue 43
Atom CA of residue 9
python stream
Atom CA of residue 124
Atom CA of residue 455
Atom CA of residue 531
PRO
Atom CA of residue 250
Atom CA of residue 330
Atom CA of residue 264
THR
Atom OE1 of residue 63
VAL
Atom O of residue 13
Atom C of residue 99
Atom CA of residue 16
Atom CA of residue 69
Atom CA of residue 98
Atom CD2 of residue 128
Atom CD of residue 61
Atom CA of residue 104
SER
ASP
Atom CA of residue 104
Atom C of residue 460
Atom C of residue 452
GLN
GLY
Atom N of residue 104
Atom CG of residue 81
PRO
ILE
Atom CA of residue 2666
ILE
Atom CA of residue 2667
Atom CA of residue 25
Atom CA of residue 462
THR
VAL
Atom CB of residue 6
Atom CA of residue 183
Atom CA of residue 139
Atom CA of residue 89
Atom N of residue 8
ALA
Atom O of residue 75
Atom CG of residue 111
Atom CA of residue 131
LYS
P6
TRP
Atom CG of residue 64
Atom CA of residue 472
THR
HIS
Atom N of residue 90
Atom CA of residue 19
Atom CA of residue 98
SER
GLY
GLY
ALA
LYS
Atom O of residue 437
Atom CA of residue 450
GLN
GLN
Atom CD of residue 84
Atom CA of residue 68
Chain A
Atom CD1 of residue 558
Atom CA of residue 51
ARG
LEU
Atom CA of residue 41
Atom CA of residue 429
Atom CE of residue 62
VAL
VAL
PRO
Atom CD1 of residue 85
VAL
SampledDensityMap60
Atom CD1 of residue 539
Atom CA of residue 468
Atom CA of residue 95
PRO
Atom CA of residue 105
MET
ARG
PRO
Atom CA of residue 89
Atom CA of residue 532
MET
PRO
TYR
Atom CD2 of residue 519
Atom OG1 of residue 70
Atom CE of residue 64
TYR
Atom CB of residue 71
Atom CA of residue 33
Atom CG of residue 578
Atom CA of residue 86
Atom CA of residue 581
Atom CB of residue 493
Atom CG2 of residue 8
VAL
SER
Atom CA of residue 66
Atom CH2 of residue 41
Atom CA of residue 117
Atom CA of residue 20
Atom CA of residue 162
Atom CA of residue 50
Atom CA of residue 83
GLY
Atom CG of residue 60
Atom CA of residue 503
Atom CA of residue 104
TRP
TYR
SER
ILE
Atom CA of residue 462
ARG
Atom CB of residue 13
Atom CB of residue 112
ASP
GLN
LEU
Atom CA of residue 172
Atom CA of residue 2681
SER
Atom CA of residue 8
Atom C of residue 134
Atom ND2 of residue 130
ARG
Atom CA of residue 176
PHE
Atom CA of residue 523
GLY
Atom CA of residue 104
SER
Atom CA of residue 23
Atom C of residue 25
Atom CA of residue 25
LYS
Atom SG of residue 573
PHE
MET
Atom CA of residue 138
LEU
Atom CB of residue 437
PRO
Atom CA of residue 471
Atom CA of residue 105
Atom C of residue 96
Atom O of residue 460
ASN
Atom CA of residue 243
Atom CA of residue 9
SER
Atom CA of residue 112
Atom O of residue 452
Atom CD of residue 13
Atom CA of residue 45
Atom CA of residue 2675
Atom CE2 of residue 128
Atom CA of residue 2635
ILE
Atom CB of residue 69
Atom NH2 of residue 61
ALA
Atom CG of residue 543
Atom CA of residue 129
ASN
Atom ND1 of residue 578
LEU
Atom N of residue 494
GLY
Atom NE of residue 84
PRO
Atom CA of residue 40
THR
Atom CA of residue 67
Atom CA of residue 27
Atom CA of residue 129
PRO
Atom CA of residue 239
GLY
Atom CA of residue 462
Atom CA of residue 19
ARG
TYR
Atom CA of residue 512
ASP
Atom CG of residue 13
ASP
Atom CA of residue 31
Chain A
Atom CA of residue 68
ARG
ARG
Atom O of residue 432
Atom CA of residue 115
Atom CA of residue 295
Atom OE2 of residue 122
Atom NE2 of residue 63
SER
Atom CA of residue 543
Atom O of residue 134
Atom C of residue 149
ARG
Atom CA of residue 149
Atom CA of residue 524
Atom CA of residue 537
Atom CA of residue 21
LEU
Atom CG2 of residue 70
LYS
Atom CG of residue 9
CYS
Atom C of residue 124
PRO
ASN
Atom CA of residue 53
PRO
GLY
LEU
ARG
THR
Atom CD of residue 111
TRP
HIS
Atom N of residue 157
Atom CG of residue 6
GLU
MET
THR
Atom CA of residue 80
Atom CA of residue 238
GLY
GLU
ILE
Atom CA of residue 88
Atom O of residue 99
LEU
Atom O of residue 562
VAL
Atom CA of residue 52
Atom N of residue 42
Atom O of residue 92
Atom CA of residue 60
LYS
Atom CA of residue 535
Atom CA of residue 2683
Atom CD1 of residue 107
Atom CA of residue 517
Atom CD of residue 60
Atom CA of residue 473
Atom CA of residue 154
Atom CG of residue 141
Atom CA of residue 70
Atom CA of residue 505
Atom CA of residue 533
Atom CA of residue 35
SER
Atom CB of residue 432
GLY
P4
1z5s_C_wrong.pdb
GLU
LEU
Atom CA of residue 113
DensityMap15
GLU
Atom CA of residue 7
Atom NE of residue 61
ALA
THR
Atom N of residue 524
Atom CA of residue 41
Atom CA of residue 490
CYS
Atom CG1 of residue 532
Atom CA of residue 2669
Atom N of residue 9
Atom CA of residue 521
ASP
ALA
Atom CA of residue 81
Atom CA of residue 443
Atom CA of residue 119
Atom OE2 of residue 12
ASP
Atom CA of residue 108
Atom O of residue 96
ALA
Atom CA of residue 10
Atom CA of residue 282
Atom CA of residue 90
VAL
MET
Atom CA of residue 116
Atom CA of residue 163
Atom CA of residue 51
Atom CG of residue 69
Atom CA of residue 105
Atom N of residue 62
Atom CA of residue 473
Atom CA of residue 140
Atom CA of residue 550
Atom CD of residue 13
ARG
LEU
Atom CA of residue 90
Atom C of residue 25
Atom CA of residue 447
Atom CA of residue 139
ILE
Atom CG1 of residue 142
Atom CD1 of residue 81
ASN
Atom N of residue 65
Atom CA of residue 92
GLN
Atom O of residue 149
VAL
Atom CA of residue 177
Atom CA of residue 265
Atom CA of residue 331
Atom CA of residue 32
Atom O of residue 124
Atom CA of residue 452
Atom CA of residue 3
Atom CA of residue 422
Atom N of residue 433
Atom CG of residue 437
ALA
ASN
Fit restraint
Atom CD1 of residue 64
Atom C of residue 5
Atom N of residue 64
LEU
LYS
GLU
Atom CA of residue 25
GLN
Atom CB of residue 92
LEU
Atom C of residue 462
PRO
Atom CA of residue 331
Atom CA of residue 451
Atom CA of residue 118
Atom CB of residue 460
Atom CA of residue 562
Atom CB of residue 452
SER
Atom CB of residue 75
Atom CA of residue 100
Atom CA of residue 104
Atom CD2 of residue 578
GLU
ARG
Atom CZ of residue 84
ILE
GLU
SER
LYS
ARG
Atom CA of residue 99
LEU
Atom CA of residue 84
Atom N of residue 108
VAL
Atom CA of residue 178
LEU
ASN
LYS
Atom CA of residue 8
PRO
ILE
Atom CA of residue 18
ILE
Atom N of residue 131
Atom CA of residue 109
Atom CA of residue 116
Atom CA of residue 479
Atom N of residue 123
Atom CA of residue 25
Atom CA of residue 184
LEU
Atom CA of residue 2668
Atom O of residue 25
Atom OG of residue 71
Atom CA of residue 131
GLY
ALA
GLU
Atom CA of residue 4
Atom N of residue 63
ASP
Atom C of residue 108
Atom O of residue 5
Atom CA of residue 39
GLY
Atom O of residue 85
Atom CE1 of residue 519
Atom O of residue 90
Atom CA of residue 66
Atom C of residue 95
Atom OE1 of residue 111
Atom CG1 of residue 112
Atom CZ of residue 61
ASN
LYS
Atom CA of residue 38
Atom C of residue 473
Atom CD of residue 141
ALA
ARG
SER
ALA
Atom CA of residue 44
Atom CA of residue 79
Atom CA of residue 18
LEU
LEU
Atom CG2 of residue 142
Atom CA of residue 532
ASP
Atom CD2 of residue 81
ARG
Atom CB of residue 562
Atom O of residue 12
Atom CA of residue 41
Atom CD2 of residue 558
THR
Atom CB of residue 99
Atom CA of residue 9
PRO
LYS
Atom NE of residue 60
LYS
Atom CA of residue 2631
Atom CD2 of residue 539
Atom CA of residue 37
GLY
Atom CA of residue 533
Atom C of residue 443
Atom CA of residue 115
Atom C of residue 119
ILE
Atom OD1 of residue 543
Atom CA of residue 244
PRO
ILE
Atom CA of residue 28
Atom CA of residue 121
Atom C of residue 471
Atom CA of residue 102
ALA
Atom CD of residue 69
GLU
LYS
GLY
LEU
Atom CA of residue 19
Atom CA of residue 134
Atom C of residue 104
Atom CA of residue 504
GLN
Atom CA of residue 437
GLU
PHE
Atom CA of residue 283
ALA
VAL
ASP
Atom CA of residue 34
Atom CA of residue 118
TYR
TRP
Atom CA of residue 582
Atom CA of residue 174
Atom CG of residue 460
Atom CA of residue 141
Atom CA of residue 71
Atom CA of residue 23
LEU
Atom N of residue 453
GLU
Atom CA of residue 24
Atom C of residue 18
GLY
GLU
ASN
Atom SG of residue 75
Atom N of residue 143
LEU
SER
Atom CA of residue 53
PRO
Atom N of residue 72
Atom N of residue 135
Atom CA of residue 536
Atom CA of residue 178
GLN
Atom CA of residue 155
Atom CB of residue 84
TYR
GLY
Atom CA of residue 113
Atom CA of residue 6
PRO
Atom CA of residue 90
Fit restraint scratch map
LEU
GLY
Atom CD2 of residue 64
LYS
PHE
Atom C of residue 490
Atom N of residue 71
Atom CA of residue 52
Atom CA of residue 117
PRO
Atom CG1 of residue 92
LEU
Atom CB of residue 96
Atom CA of residue 524
Atom CA of residue 114
ALA
Atom CB of residue 124
TYR
LEU
Atom O of residue 104
ILE
Atom CA of residue 296
Atom CD of residue 9
Atom NE of residue 141
Atom CA of residue 105
Atom NE2 of residue 519
Atom CA of residue 2674
Atom N of residue 91
Atom N of residue 559
python stream rigid body rigid body positions
Atom CD1 of residue 437
THR
Atom O of residue 471
Atom CA of residue 494
Atom CA of residue 249
Atom CA of residue 538
PRO
Atom N of residue 540
ALA
Atom C of residue 5
DensityMap18
GLU
PRO
Atom CZ of residue 128
Atom CA of residue 2675
TRP
Atom CA of residue 150
Atom CA of residue 106
ALA
Atom CA of residue 440
Atom OD1 of residue 99
Atom CG2 of residue 112
ALA
GLY
ILE
Atom CA of residue 51
Atom O of residue 108
ALA
Atom CA of residue 36
GLY
Atom CA of residue 33
ILE
ALA
PRO
P5
Atom CA of residue 72
LYS
Atom CB of residue 25
Atom CG of residue 4
Atom CA of residue 89
GLN
GLN
xxx.em
Atom OE2 of residue 111
Atom CE1 of residue 578
Atom CA of residue 165
Atom CA of residue 119
Atom CA of residue 115
Atom CA of residue 6
Atom CA of residue 46
Atom C of residue 37
Atom N of residue 82
Atom CA of residue 64
PHE
Atom CA of residue 513
LYS
Atom ND2 of residue 40
Atom CG of residue 562
Atom CA of residue 506
Atom CA of residue 534
Atom CA of residue 18
Atom O of residue 25
Atom CA of residue 135
Atom CA of residue 470
GLY
TYR
Atom CA of residue 42
Atom CA of residue 280
Atom CA of residue 2670
Atom C of residue 6
Atom CA of residue 544
Atom CA of residue 131
Atom CA of residue 110
Atom CA of residue 54
Atom O of residue 462
ARG
ALA
Atom ND2 of residue 543
Atom O of residue 490
LEU
Atom CA of residue 522
Atom CA of residue 33
Atom CA of residue 29
Atom CA of residue 137
Atom CA of residue 117
GLN
THR
VAL
MET
TYR
MET
THR
MET
Atom N of residue 76
Atom CA of residue 135
Atom CB of residue 149
GLY
MET
Atom CA of residue 66
ASN
Atom CA of residue 85
Atom O of residue 473
Atom CA of residue 157
Atom NE of residue 69
Atom CA of residue 452
Atom CA of residue 474
PRO
Atom CA of residue 72
Atom O of residue 20
Atom CG1 of residue 5
Atom O of residue 95
LEU
PHE
Atom CZ of residue 60
Atom CA of residue 70
Atom CG1 of residue 96
VAL
Atom C of residue 46
THR
Atom CA of residue 81
Atom CA of residue 127
SER
Atom CA of residue 93
Atom CA of residue 332
ILE
Atom CA of residue 480
PRO
ARG
Atom CA of residue 2643
PRO
Atom CA of residue 6
PRO
Atom CA of residue 423
Atom CA of residue 179
Atom O of residue 119
Atom CA of residue 332
Atom CG of residue 84
ASP
Atom CA of residue 2650
Atom CA of residue 65
Atom CA of residue 113
Atom CA of residue 5
Atom CA of residue 42
ILE
GLU
GLU
PRO
Atom CA of residue 2684
SER
ILE
Atom CA of residue 266
Atom CE of residue 10
Atom O of residue 18
ASN
THR
GLU
Atom CA of residue 454
GLN
LEU
Atom CA of residue 551
PRO
ALA
THR
TYR
Atom CA of residue 20
Atom CB of residue 462
Fit restraint
GLY
Atom CB of residue 8
ALA
LEU
Atom NE2 of residue 11
PHE
Atom CG2 of residue 5
ALA
Atom CA of residue 42
Atom NE2 of residue 578
Atom O of residue 443
Atom CD2 of residue 437
Atom CB of residue 471
Atom CA of residue 179
Atom CA of residue 7
Atom CA of residue 29
MET
Atom O of residue 37
Atom CA of residue 118
GLU
Atom CG2 of residue 92
Atom CA of residue 108
VAL
Atom CA of residue 107
Atom CA of residue 142
ALA
Atom N of residue 41
Atom CA of residue 91
Atom CA of residue 53
Atom CA of residue 34
Atom CA of residue 448
Atom CA of residue 98
Atom CA of residue 61
Atom CA of residue 262
ARG
Atom CA of residue 52
SER
Atom CA of residue 13
Atom CE1 of residue 64
Atom CA of residue 26
Atom CA of residue 145
Atom CA of residue 64
PHE
Atom CG of residue 99
ALA
Atom CG of residue 124
GLU
Atom N of residue 129
PRO
Atom N of residue 11
LEU
SER
ASN
Atom CA of residue 45
Atom CA of residue 34
Atom C of residue 115
VAL
Atom CA of residue 533
GLU
Atom CA of residue 166
Atom CA of residue 134
Atom CB of residue 108
Atom C of residue 524
Atom CA of residue 185
ASP
Atom O of residue 46
Atom CA of residue 42
HIS
Atom CG of residue 149
Atom CA of residue 82
Atom CA of residue 28
Atom CB of residue 473
Atom CZ of residue 69
Atom CD of residue 460
Atom CZ of residue 141
LEU
SER
Atom CB of residue 20
Atom N of residue 12
Atom CA of residue 20
DensityMap52
Atom CB of residue 25
LEU
ARG
GLU
Atom CA of residue 122
ALA
Atom OE1 of residue 12
Atom CA of residue 106
Atom CA of residue 2669
LYS
GLU
Atom CA of residue 67
Atom CA of residue 106
LEU
ASN
Atom C of residue 157
LEU
PRO
ALA
ALA
Atom CA of residue 71
Atom CA of residue 56
ASP
Atom CB of residue 443
Atom CA of residue 118
Atom CB of residue 119
PRO
Atom CA of residue 141
ALA
GLU
Atom CG of residue 25
CYS
Atom CA of residue 35
Atom CA of residue 119
Atom CB of residue 104
ALA
Atom C of residue 494
Atom CA of residue 11
Atom CB of residue 490
TRP
GLU
LYS
LEU
Atom CA of residue 471
Atom CA of residue 460
ASP
ASP
Atom CA of residue 63
ASN
ALA
Atom NH1 of residue 60
ARG
ARG
TYR
GLU
VAL
Atom CA of residue 245
Atom CD1 of residue 562
Atom N of residue 520
Atom C of residue 65
Atom C of residue 42
Atom N of residue 113
Atom CA of residue 537
Atom CA of residue 583
Atom CA of residue 123
Atom OG1 of residue 8
Atom CA of residue 2683
TYR
ARG
Atom CA of residue 91
Atom CB of residue 95
Atom CA of residue 534
PHE
Atom CA of residue 180
Atom CA of residue 2631
Atom CA of residue 42
Atom N of residue 544
PHE
Atom CA of residue 107
SER
Atom CA of residue 72
Atom CA of residue 119
Atom CA of residue 34
Atom OD1 of residue 124
Atom C of residue 131
Atom N of residue 93
Atom CA of residue 62
Atom CA of residue 477
Atom CA of residue 297
Atom CA of residue 339
Atom CA of residue 333
Atom CA of residue 157
Atom CB of residue 42
Atom CA of residue 141
Atom CA of residue 505
Atom O of residue 524
ALA
Atom CA of residue 79
Atom C of residue 108
Atom CA of residue 143
Atom CG of residue 462
Atom C of residue 11
Atom OE1 of residue 460
GLN
Atom CB of residue 18
Atom OD2 of residue 99
SER
GLN
GLY
Atom CA of residue 2676
ASP
Atom CA of residue 438
ILE
Atom CA of residue 157
Atom C of residue 64
Atom CA of residue 90
Atom CA of residue 102
Atom CA of residue 143
Atom CA of residue 92
ILE
Atom CA of residue 114
Atom CB of residue 37
Atom CA of residue 20
MET
ALA
ARG
Atom CA of residue 82
GLY
ILE
ARG
Atom CE2 of residue 64
LEU
Atom CA of residue 25
Atom CD of residue 25
Atom CA of residue 559
Atom CA of residue 2651
LEU
Atom CA of residue 143
Atom CD of residue 149
ARG
MET
Atom CA of residue 2685
PRO
Atom O of residue 494
Atom O of residue 157
Atom CG2 of residue 96
Atom CA of residue 120
Atom OG of residue 42
Atom C of residue 453
Atom CA of residue 540
Atom CB of residue 12
GLU
Atom CA of residue 68
Atom N of residue 112
Atom C of residue 63
Atom CA of residue 167
GLU
Atom CA of residue 135
Atom CA of residue 514
GLU
Atom CA of residue 2671
Atom CA of residue 441
Atom CA of residue 3
Atom CA of residue 16
ALA
Atom OG of residue 471
Atom C of residue 123
Atom NH1 of residue 141
Atom CA of residue 38
Atom CA of residue 13
Atom N of residue 100
Atom CA of residue 545
Atom CA of residue 111
ASP
Atom CA of residue 151
ASP
SER
ALA
MET
HIS
GLU
LEU
Atom O of residue 131
Atom N of residue 579
Atom CA of residue 29
Atom OG1 of residue 108
Atom CB of residue 524
Atom CA of residue 186
VAL
Atom CA of residue 92
Atom CA of residue 449
Atom O of residue 6
Atom CG of residue 95
Atom ND2 of residue 124
Atom CG of residue 443
Atom CA of residue 67
ALA
Atom N of residue 8
Atom CA of residue 108
Atom CZ of residue 64
python stream
TYR
Atom CA of residue 44
Atom CA of residue 82
Model 24
Atom CA of residue 90
Model 17
Atom CG of residue 104
Atom CE1 of residue 437
GLU
THR
GLN
Atom CB of residue 46
GLY
ASN
Atom CA of residue 461
Atom CA of residue 333
Atom CA of residue 37
Atom N of residue 7
Atom CA of residue 539
Atom CD2 of residue 562
Atom C of residue 72
Atom CA of residue 34
Atom CA of residue 80
SER
ASP
LEU
ASN
GLU
Atom CA of residue 552
Atom CA of residue 37
Atom O of residue 42
Atom CA of residue 14
Atom CA of residue 103
Atom CA of residue 86
Atom CA of residue 181
Atom CA of residue 481
SER
Atom CA of residue 180
Atom CA of residue 12
HIS
Atom CA of residue 507
Atom CA of residue 535
Atom C of residue 71
Atom CA of residue 2630
Atom CA of residue 472
LEU
THR
Atom CG1 of residue 494
Atom CA of residue 267
Atom CG1 of residue 490
THR
Atom OG of residue 37
VAL
Atom C of residue 135
ASP
Atom O of residue 63
Atom CG of residue 473
THR
Atom CA of residue 142
LEU
Atom CA of residue 475
Atom CA of residue 41
Atom CA of residue 2644
Atom C of residue 90
ASP
Atom CA of residue 523
MET
Atom CA of residue 119
Atom N of residue 472
Atom NH2 of residue 60
Atom CD1 of residue 96
Atom NE2 of residue 460
VAL
Atom N of residue 47
VAL
LEU
TYR
Atom CG of residue 12
Atom CA of residue 100
Atom CB of residue 131
THR
Atom CA of residue 62
GLN
Atom NH1 of residue 61
Atom NH1 of residue 69
Atom OE1 of residue 9
Atom CA of residue 73
GLU
ARG
Atom C of residue 559
Atom CG1 of residue 25
Atom CA of residue 147
LYS
SER
TRP
Atom CG of residue 119
Atom CB of residue 82
ALA
LYS
LYS
Atom C of residue 540
Atom CA of residue 94
GLN
ILE
TRP
LEU
Atom CA of residue 2632
Atom OD1 of residue 462
VAL
Atom CA of residue 453
THR
Atom CA of residue 544
Atom C of residue 8
Atom CE1 of residue 562
Atom N of residue 26
PRO
ARG
Chain  
ALA
Atom CA of residue 424
Atom CA of residue 28
Atom CA of residue 43
Atom N of residue 19
LEU
Atom O of residue 65
Atom O of residue 4
MET
Atom NE of residue 149
Atom CA of residue 131
Atom CA of residue 249
GLY
GLN
Atom CB of residue 157
GLY
Atom CA of residue 476
Atom CA of residue 246
LEU
Atom CA of residue 76
LEU
Atom CA of residue 107
Atom CE2 of residue 437
LEU
Atom CA of residue 584
Atom CG2 of residue 108
Atom CA of residue 454
ILE
Atom CA of residue 28
Atom O of residue 64
Atom CA of residue 2670
LEU
GLU
ASN
Atom O of residue 123
PHE
THR
PHE
THR
LEU
GLU
Atom O of residue 559
GLY
Atom CA of residue 113
Atom CD of residue 104
Atom CA of residue 42
Atom CD2 of residue 119
Atom CA of residue 70
Atom CA of residue 340
MET
Atom CG of residue 524
Atom O of residue 540
GLU
Atom CA of residue 36
VAL
Atom C of residue 143
Atom CA of residue 120
CYS
Atom CA of residue 129
Atom CA of residue 83
Atom O of residue 108
Atom CD1 of residue 473
MET
Atom CA of residue 109
GLN
Atom CA of residue 144
Atom O of residue 71
LEU
PHE
Atom CA of residue 123
GLY
GLY
ARG
Atom CA of residue 2684
Atom CA of residue 69
Atom CA of residue 43
Atom CD of residue 12
Atom CB of residue 4
ASN
GLU
VAL
Atom NH2 of residue 69
Atom CA of residue 439
Atom OE2 of residue 9
GLY
Atom C of residue 76
GLN
Atom CA of residue 46
ASP
ASN
Atom CG2 of residue 25
Atom CA of residue 579
Atom CA of residue 535
Atom CA of residue 534
Atom CD of residue 443
Atom CA of residue 17
Atom CA of residue 298
Atom N of residue 61
Atom CA of residue 84
Atom CG2 of residue 490
Atom CA of residue 93
Atom CB of residue 64
LEU
Atom CA of residue 120
Atom CA of residue 40
Atom CA of residue 140
Atom CA of residue 104
Atom CA of residue 182
Atom CA of residue 478
LEU
Atom O of residue 453
GLU
LYS
Atom C of residue 82
SER
Atom CA of residue 506
Atom CG2 of residue 494
Atom CG of residue 82
GLY
Atom CB of residue 24
ASP
Atom CA of residue 39
ALA
Atom CA of residue 103
Atom CA of residue 35
Atom CB of residue 42
Atom N of residue 125
Atom C of residue 129
MET
Atom OD2 of residue 462
Atom CA of residue 116
Atom CA of residue 21
ILE
Atom NH2 of residue 141
Atom CA of residue 142
Atom OD1 of residue 95
GLU
Atom CA of residue 2677
Atom CA of residue 120
VAL
ARG
Atom CA of residue 101
Atom CG of residue 4
Atom CB of residue 574
Atom CG of residue 131
Atom CZ of residue 149
Atom CB of residue 63
Atom N of residue 62
Atom CA of residue 538
Atom CB of residue 108
Atom CG of residue 157
Atom CA of residue 16
Atom N of residue 461
Atom OH of residue 87
Atom CA of residue 115
Atom CA of residue 26
AccumulateRigidBodyDerivatives2
Atom CA of residue 146
Atom CA of residue 11
Atom CA of residue 579
Atom CA of residue 100
VAL
Atom CA of residue 147
Atom CA of residue 520
Atom CA of residue 2652
ILE
Atom CA of residue 35
Atom O of residue 143
Atom CA of residue 93
Atom CA of residue 131
Atom CA of residue 2686
LEU
Atom CA of residue 585
Atom N of residue 65
ASP
PRO
Atom O of residue 8
Atom CA of residue 508
Atom CA of residue 536
Atom CA of residue 2672
Atom CB of residue 559
Atom CA of residue 10
Atom CA of residue 92
Atom CD2 of residue 135
PRO
ILE
python stream
Atom N of residue 120
ASP
Atom CA of residue 47
Atom CE2 of residue 562
TRP
Atom CB of residue 540
GLU
Atom O of residue 13
Atom O of residue 72
Atom CA of residue 112
Atom C of residue 113
Atom O of residue 129
SER
Atom C of residue 43
Atom CA of residue 116
PRO
Atom CB of residue 453
Atom CA of residue 88
Atom CA of residue 524
LEU
ASN
Atom O of residue 82
Atom CA of residue 96
Atom CA of residue 152
GLY
Atom CA of residue 13
Atom CB of residue 65
PHE
LEU
Atom CA of residue 81
ASN
GLU
Atom CB of residue 7
Atom CA of residue 156
Atom CA of residue 83
Atom CA of residue 74
Atom CA of residue 93
Atom CA of residue 81
Atom C of residue 146
Atom CA of residue 19
Atom CA of residue 474
Atom N of residue 444
Atom CA of residue 68
Atom CA of residue 43
LEU
Atom CA of residue 71
Atom CA of residue 143
Atom CA of residue 29
Atom CA of residue 2645
HIS
Atom CA of residue 442
GLU
Atom CA of residue 95
Atom CA of residue 91
GLU
GLY
Atom OG of residue 574
Atom CD2 of residue 473
Atom CA of residue 334
Atom CA of residue 121
Atom CB of residue 123
Atom CA of residue 145
GLN
Atom C of residue 544
Atom CA of residue 560
Atom N of residue 38
Atom CA of residue 69
LEU
Atom CA of residue 425
ARG
LYS
Atom CA of residue 28
Atom N of residue 495
ILE
Atom CA of residue 268
Atom CA of residue 541
Atom CG of residue 24
LEU
Atom CA of residue 12
LEU
LEU
PRO
SER
ALA
Atom N of residue 70
Atom N of residue 97
LEU
Atom O of residue 43
LEU
LYS
Atom CA of residue 22
Atom ND2 of residue 95
Atom CA of residue 59
Atom CA of residue 112
Atom CA of residue 482
SER
Atom CA of residue 515
Atom CA of residue 34
Atom C of residue 77
ALA
Atom OG1 of residue 65
GLN
Atom CB of residue 72
Atom CG of residue 143
Atom CA of residue 183
LYS
THR
Atom CA of residue 553
Atom CA of residue 19
Atom CA of residue 546
LEU
HIS
PHE
ASN
Atom CA of residue 101
Atom CZ of residue 437
Atom CA of residue 181
LEU
Atom CB of residue 71
ASP
AccumulateRigidBodyDerivatives8
Atom N of residue 26
Atom CA of residue 54
ILE
Atom O of residue 113
Atom N of residue 130
Atom NH1 of residue 17
PRO
Atom CA of residue 18
Atom N of residue 109
Atom CA of residue 187
ALA
ASN
Atom N of residue 142
Atom CA of residue 91
GLY
ALA
Atom CD1 of residue 4
Atom O of residue 135
Atom CB of residue 6
Atom CA of residue 29
Atom CA of residue 110
Atom CA of residue 17
Atom C of residue 520
Atom CA of residue 450
Atom CA of residue 121
Atom C of residue 93
Atom CA of residue 124
Atom OG1 of residue 108
LEU
TYR
Atom CA of residue 12
Atom CA of residue 13
Atom C of residue 47
Atom CA of residue 47
Atom CA of residue 49
HIS
LYS
Atom CA of residue 535
Atom CA of residue 26
Atom NE of residue 104
ASP
ALA
LYS
Atom O of residue 544
ILE
GLY
TRP
Atom CA of residue 63
ALA
Atom CB of residue 494
LEU
Atom CA of residue 146
Atom CA of residue 125
Atom O of residue 146
MET
UpdateRigidBodyMembers14
Atom CA of residue 472
Atom CB of residue 43
ARG
Atom N of residue 491
Atom CA of residue 24
PHE
Atom OG of residue 453
GLU
GLY
Atom CB of residue 82
Atom N of residue 438
LYS
GLU
Atom CA of residue 239
ARG
ILE
Atom CA of residue 540
ASN
TYR
Atom CB of residue 9
Atom CA of residue 444
THR
ASN
Atom C of residue 112
Atom CA of residue 24
Atom N of residue 575
Atom NH2 of residue 17
Atom C of residue 579
Atom CA of residue 125
Atom CA of residue 121
SER
ARG
LEU
CYS
Atom CD1 of residue 82
GLY
ASN
ARG
TRP
LYS
ALA
VAL
Atom CG of residue 42
Atom CA of residue 60
Atom CA of residue 44
Atom CA of residue 55
Atom CA of residue 7
Atom CA of residue 247
Atom CA of residue 2685
Atom CD1 of residue 24
VAL
LYS
Atom CA of residue 140
Atom CG of residue 63
Atom CA of residue 101
Atom CA of residue 108
LEU
Atom CA of residue 341
LYS
Atom CZ of residue 562
Atom CA of residue 44
Atom CA of residue 93
PHE
VAL
Atom CA of residue 2635
PHE
Atom CE1 of residue 473
Atom N of residue 463
Atom CA of residue 518
HIS
Atom N of residue 22
Atom C of residue 146
ASN
Atom CG of residue 71
Atom CB of residue 125
Atom CB of residue 146
Atom CA of residue 26
LEU
ILE
Atom CG of residue 64
LYS
SER
Atom N of residue 96
Atom CA of residue 5
Atom NH1 of residue 149
Atom CA of residue 84
GLY
Atom CD of residue 157
THR
TYR
Atom CB of residue 544
Atom O of residue 520
Atom CA of residue 12
Atom CA of residue 583
Atom CG of residue 72
PHE
Atom CD of residue 143
Atom CB of residue 135
TYR
Atom CA of residue 184
ASN
Atom CA of residue 586
Atom CD of residue 524
Atom O of residue 47
Atom CA of residue 108
Atom CA of residue 42
Atom CA of residue 2671
Atom CG2 of residue 65
Atom CG of residue 6
Atom CA of residue 36
LEU
LEU
ASN
GLY
Atom CA of residue 2637
P7
Atom O of residue 9
Atom CG of residue 123
MET
ARG
Atom CD of residue 13
ASN
VAL
Atom CA of residue 470
Atom CG of residue 43
Atom CA of residue 141
Atom CA of residue 27
Atom CA of residue 37
Atom CA of residue 121
Atom CA of residue 539
Chain  
Atom CA of residue 111
LYS
Atom CA of residue 146
Atom C of residue 26
VAL
VAL
Chain C
Atom CB of residue 113
Atom CA of residue 82
LEU
Atom CZ of residue 104
ASN
Atom CD2 of residue 82
Atom CA of residue 148
GLN
PHE
Atom CA of residue 2673
ALA
Atom CA of residue 100
Atom CA of residue 50
Atom CA of residue 23
Atom CD of residue 42
Atom NH2 of residue 149
Atom CA of residue 516
Atom CA of residue 509
Atom CA of residue 537
Atom C of residue 19
Atom CA of residue 9
GLY
Atom CA of residue 536
VAL
Atom CD1 of residue 63
Atom O of residue 579
GLU
THR
TYR
Atom C of residue 472
Atom C of residue 62
LEU
Atom CA of residue 5
Atom CA of residue 117
Atom CB of residue 47
GLU
Atom CA of residue 38
Atom CA of residue 70
Atom CA of residue 547
Atom CA of residue 122
Atom CA of residue 56
Atom CG2 of residue 108
Atom CA of residue 479
THR
GLY
ASN
Atom CZ of residue 13
GLU
Atom CA of residue 4
Atom CA of residue 55
Atom CA of residue 525
Atom CD1 of residue 125
LEU
Atom CA of residue 120
Atom CA of residue 507
PHE
Atom SD of residue 64
Atom CG of residue 559
Atom CD of residue 131
Atom O of residue 93
GLU
LEU
Atom CA of residue 53
Atom CE2 of residue 473
Atom C of residue 432
LEU
Atom CA of residue 65
GLY
TYR
THR
Atom CA of residue 554
Atom CA of residue 541
PHE
ASN
Atom CA of residue 75
Atom CG of residue 540
Atom O of residue 26
Atom CA of residue 138
Atom CA of residue 2678
Atom N of residue 18
Atom CA of residue 122
Atom CA of residue 335
Atom N of residue 101
Atom CE of residue 524
Atom O of residue 146
GLU
LEU
Atom CA of residue 20
Atom CA of residue 96
Atom CA of residue 99
Atom CA of residue 96
CYS
VAL
Atom CA of residue 45
Atom CA of residue 2687
Atom CB of residue 149
Atom CA of residue 70
Atom CA of residue 122
Atom CD of residue 123
Atom CA of residue 461
Atom CA of residue 116
Atom CA of residue 453
Atom O of residue 77
Atom CA of residue 13
PRO
Atom OE1 of residue 143
GLY
Atom CA of residue 426
Atom O of residue 62
Atom CA of residue 7
mol2
Atom C of residue 7
Atom CD2 of residue 24
GLU
ASN
GLY
Atom C of residue 2
Atom CA of residue 142
LYS
Atom CA of residue 11
Atom C of residue 584
Atom CA of residue 113
Atom CA of residue 64
Atom N of residue 83
Atom CA of residue 483
Atom CA of residue 109
Atom CA of residue 144
Atom CA of residue 269
ASP
Atom CA of residue 2653
PHE
Atom CD2 of residue 77
PHE
GLU
ARG
Atom O of residue 432
Atom CD of residue 43
Atom CG of residue 544
Atom CD2 of residue 85
Atom O of residue 19
Atom CA of residue 94
Atom CA of residue 54
CYS
ASP
TYR
Atom CA of residue 26
Atom CA of residue 475
Atom NH1 of residue 104
Atom CA of residue 444
Atom CA of residue 185
Atom CA of residue 129
Atom CA of residue 153
VAL
THR
Atom CB of residue 146
Atom N of residue 563
Atom CB of residue 520
Atom CA of residue 43
ASP
Atom CA of residue 26
Atom N of residue 66
Atom C of residue 100
Atom CD2 of residue 63
LEU
LEU
VAL
Atom CA of residue 182
THR
Atom CA of residue 451
Atom CA of residue 102
Atom CA of residue 130
Atom CA of residue 69
PHE
ASP
Envelope penetration restraint
Atom CA of residue 92
Atom CD of residue 72
GLY
Atom CA of residue 123
LYS
Atom N of residue 132
Atom CA of residue 109
Atom CA of residue 6
Atom N of residue 109
LEU
Atom CG of residue 149
ILE
Atom C of residue 65
Atom CA of residue 147
Atom CA of residue 138
Atom CA of residue 539
Atom CA of residue 2647
Atom CA of residue 48
Atom CA of residue 240
Atom CA of residue 28
Atom CA of residue 8
Atom C of residue 125
Atom CA of residue 536
GLU
Atom CA of residue 65
GLU
GLN
Atom CE1 of residue 82
DensityMap23
Atom CA of residue 78
VAL
GLN
Atom CA of residue 491
ASP
Atom CD1 of residue 559
Atom CA of residue 445
GLN
Atom OE1 of residue 42
Atom CG of residue 135
Atom CB of residue 93
Atom N of residue 150
Atom CA of residue 85
Atom CG1 of residue 117
LEU
Atom CB of residue 432
Atom CA of residue 97
Atom CA of residue 188
Atom OE1 of residue 43
Atom CA of residue 248
ILE
ALA
Atom SD of residue 540
Atom C of residue 13
Atom CA of residue 139
Atom CA of residue 47
Atom N of residue 5
ALA
Atom CB of residue 143
Atom CA of residue 61
Atom O of residue 584
Atom CA of residue 105
LEU
Atom C of residue 120
Atom CA of residue 471
Atom CA of residue 4
Atom CA of residue 2672
Atom CA of residue 16
Atom CD1 of residue 71
ASP
LYS
Atom CA of residue 463
Atom CA of residue 342
ALA
Atom NH1 of residue 13
Atom CA of residue 74
Atom CG of residue 113
GLN
LEU
Atom CE of residue 64
Atom CE1 of residue 24
PHE
PRO
Atom CA of residue 122
MET
Atom CA of residue 132
Atom CA of residue 110
LYS
GLU
Atom CG2 of residue 7
Atom C of residue 461
Atom CA of residue 79
Atom N of residue 86
SER
VAL
GLN
LYS
THR
GLU
LYS
ALA
Atom CA of residue 112
TYR
Atom CE1 of residue 77
Atom CA of residue 575
Atom CB of residue 579
Atom CA of residue 46
GLU
Atom O of residue 472
LEU
Atom C of residue 109
LEU
Atom N of residue 124
SER
Atom C of residue 142
Atom CA of residue 23
Atom C of residue 38
GLY
HIS
Atom CA of residue 94
ASP
Atom O of residue 112
Atom CA of residue 537
ARG
GLU
GLN
GLU
TYR
SER
Atom CG of residue 520
VAL
1tyq_A.pdb
/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
Atom CA of residue 480
Atom CA of residue 542
Atom CA of residue 83
SER
GLU
Atom O of residue 125
ALA
PHE
Atom CA of residue 2637
Atom NH2 of residue 104
Atom C of residue 444
Atom CA of residue 438
Atom CA of residue 508
Atom CA of residue 477
SER
GLY
VAL
Atom CA of residue 109
Atom CB of residue 45
LYS
Atom N of residue 8
Atom NE2 of residue 43
Atom CG of residue 47
ARG
Atom CB of residue 5
Atom CA of residue 37
Atom CA of residue 2679
Atom CA of residue 186
ILE
ILE
Atom CA of residue 2646
Atom CA of residue 28
LYS
Atom CA of residue 43
SER
LYS
LYS
Atom CA of residue 123
Atom CD of residue 149
Atom CA of residue 555
Atom C of residue 491
Atom CG of residue 77
LYS
Atom CA of residue 117
THR
GLY
Atom CB of residue 19
Atom CD of residue 113
Atom CA of residue 62
Atom CA of residue 57
GLY
Atom CA of residue 495
Atom O of residue 65
GLU
HIS
Atom CB of residue 26
Atom CD2 of residue 71
Atom CA of residue 2674
Atom N of residue 73
LYS
Atom CA of residue 473
ILE
Atom C of residue 97
Atom CA of residue 146
ASP
Atom CA of residue 545
Atom CA of residue 45
ILE
GLN
Atom CB of residue 112
Atom CA of residue 6
GLN
Atom CA of residue 84
Atom CA of residue 2639
Atom CZ of residue 473
ARG
Atom CA of residue 517
Atom CD2 of residue 559
Atom CA of residue 443
Atom CA of residue 24
Atom CA of residue 21
Atom CA of residue 83
ALA
SER
THR
Atom O of residue 109
Atom CE2 of residue 82
Atom O of residue 461
Atom CD of residue 47
Atom CA of residue 2686
Atom CE of residue 540
HIS
Atom CA of residue 55
LEU
Atom CA of residue 56
Atom CA of residue 48
Atom CA of residue 548
Atom CB of residue 584
VAL
LYS
Atom CA of residue 5
Atom C of residue 70
Atom CD1 of residue 135
ALA
Atom N of residue 64
Atom CA of residue 102
Atom OG of residue 579
PRO
Atom CD1 of residue 119
Atom CB of residue 472
PRO
Atom O of residue 14
Atom CA of residue 48
Atom CA of residue 2676
Atom CA of residue 39
Atom CA of residue 71
Atom C of residue 96
MET
Atom CA of residue 70
LEU
Atom CA of residue 336
Atom CA of residue 189
Atom CA of residue 563
Atom CA of residue 93
1z5s_C.pdb
Atom CA of residue 472
Atom N of residue 44
Atom CA of residue 118
Atom CA of residue 68
LEU
Atom C of residue 26
PRO
Atom CA of residue 100
ALA
ALA
GLU
Atom CA of residue 540
Atom CA of residue 2688
Atom CA of residue 113
Atom CA of residue 6
Atom CA of residue 148
Atom NZ of residue 524
Atom CA of residue 510
Atom CA of residue 538
Atom CA of residue 15
PRO
ALA
Atom CA of residue 75
VAL
Atom CA of residue 18
Atom CA of residue 47
Atom CA of residue 13
Atom O of residue 491
Atom CD1 of residue 77
Atom CA of residue 132
HIS
Atom CA of residue 39
GLU
ARG
Atom C of residue 438
Atom C of residue 463
SER
LYS
ILE
Atom NH2 of residue 13
Atom C of residue 24
Atom CA of residue 526
GLU
TYR
Atom CA of residue 183
ALA
LYS
LYS
Atom C of residue 39
Atom CA of residue 2654
Atom CG1 of residue 5
Atom SG of residue 93
Atom C of residue 130
Atom CA of residue 58
ILE
Atom N of residue 474
Atom O of residue 70
Atom CA of residue 270
Atom CA of residue 45
Atom CA of residue 76
Atom CA of residue 7
GLU
Atom CA of residue 95
Atom C of residue 43
Atom C of residue 21
GLY
Chain A
Atom O of residue 97
Atom NE of residue 47
TYR
GLY
Atom CA of residue 97
Atom CA of residue 68
Atom CA of residue 456
ILE
PHE
Atom CA of residue 60
Atom CA of residue 31
GLN
Atom N of residue 9
ASP
Atom O of residue 142
LYS
Atom CA of residue 136
GLY
Atom OE2 of residue 143
Atom CA of residue 149
Atom CA of residue 427
GLN
Atom CA of residue 124
Atom CA of residue 432
ASN
Atom CZ of residue 82
PRO
LEU
GLU
Atom CA of residue 124
Atom C of residue 575
ASP
THR
Atom CA of residue 123
ASN
Atom CA of residue 241
Atom CG of residue 26
ILE
PRO
Atom O of residue 100
Atom OE1 of residue 113
ILE
THR
Atom N of residue 105
Atom O of residue 444
Atom C of residue 83
Atom CA of residue 79
Atom CA of residue 80
GLU
Atom CB of residue 14
Atom CE2 of residue 24
/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
GLY
Atom O of residue 26
ILE
Atom CD2 of residue 4
Atom N of residue 136
Atom O of residue 130
PHE
MET
Atom CB of residue 65
Atom N of residue 525
Atom ND1 of residue 544
GLN
ASP
ALA
ILE
Atom CA of residue 114
Atom CA of residue 433
Atom CA of residue 484
VAL
Atom CA of residue 2647
Atom CG of residue 19
Atom CE2 of residue 77
TYR
Atom CA of residue 150
LEU
Atom CA of residue 2638
Atom CA of residue 187
Atom NE of residue 149
LEU
Atom CB of residue 461
CYS
Atom O of residue 24
Atom CA of residue 452
ILE
LYS
Atom CA of residue 299
PHE
GLN
Atom CB of residue 109
ALA
LYS
PRO
Atom SD of residue 520
Atom CA of residue 49
Atom CA of residue 123
VAL
Atom N of residue 94
DensityMap918
LEU
Atom CA of residue 109
Atom N of residue 4
Atom O of residue 463
SER
Atom CA of residue 249
ASN
PRO
Atom CA of residue 49
ASP
LYS
Atom N of residue 560
CYS
Atom CA of residue 13
Atom CG1 of residue 112
Atom CA of residue 537
Atom CA of residue 29
Atom CZ of residue 47
Chain A
ALA
Atom N of residue 541
Atom CA of residue 46
Atom CA of residue 66
LYS
Atom O of residue 575
Atom CA of residue 126
ALA
Atom CA of residue 343
Atom CA of residue 124
Atom CA of residue 149
THR
Atom CA of residue 86
Atom CB of residue 100
Atom CA of residue 51
GLU
GLY
Atom CA of residue 538
Atom CG of residue 584
ARG
Atom CA of residue 48
Atom CA of residue 155
SampledDensityMap12
LEU
Atom CA of residue 69
PRO
CYS
PRO
Atom CA of residue 103
Atom CA of residue 481
Atom C of residue 495
PRO
Atom CB of residue 142
GLY
THR
LEU
CoarseCC0
Atom CA of residue 103
Atom CA of residue 65
Atom CA of residue 64
Atom CA of residue 45
Atom CA of residue 509
LEU
Atom CB of residue 491
GLN
Atom CZ of residue 24
Atom N of residue 72
LEU
Atom O of residue 96
ASP
Atom CA of residue 2640
ASN
ALA
LEU
Atom CB of residue 70
LYS
Atom CD2 of residue 544
Atom C of residue 563
Atom CA of residue 14
Atom CA of residue 29
Atom CA of residue 15
VAL
GLN
ARG
LYS
ARG
Atom CA of residue 2680
Atom CB of residue 444
Atom O of residue 83
GLY
Atom CA of residue 20
Atom CA of residue 24
Atom O of residue 43
ASN
Atom CZ of residue 77
Atom CA of residue 541
Atom N of residue 580
Atom N of residue 473
Atom CB of residue 97
P1
Atom CA of residue 119
Atom CA of residue 118
ILE
Atom CA of residue 2677
Atom CA of residue 2675
Atom CA of residue 137
THR
Atom CA of residue 95
ASP
Atom N of residue 144
ALA
Atom CA of residue 115
PRO
Atom CA of residue 478
PRO
Atom CA of residue 110
Atom CE of residue 520
Atom C of residue 132
PRO
ASN
Atom CZ of residue 149
Atom OG1 of residue 461
Fit restraint
Atom OE2 of residue 113
LYS
Atom CB of residue 64
Atom O of residue 438
Atom CA of residue 501
Atom CA of residue 473
LEU
Atom OD1 of residue 19
Atom C of residue 66
Atom CA of residue 84
Atom C of residue 18
Atom O of residue 4
Atom CA of residue 32
SER
LYS
Atom CA of residue 76
ASP
Atom CA of residue 104
Atom CG1 of residue 125
Atom CD1 of residue 584
Atom CA of residue 2636
GLY
VAL
Atom CA of residue 44
Atom CA of residue 75
LEU
Atom CA of residue 125
Atom CA of residue 433
Atom C of residue 109
Atom CA of residue 337
Atom O of residue 495
Atom CA of residue 120
Atom NH1 of residue 47
GLY
Atom CA of residue 85
LYS
TYR
Atom CA of residue 72
GLY
THR
PRO
Atom CA of residue 71
GLY
Atom CG of residue 65
Atom CA of residue 14
Atom CA of residue 94
Atom CA of residue 73
LEU
Atom CA of residue 125
VAL
Atom CA of residue 124
Atom CG of residue 13
Atom C of residue 124
GLU
Atom CD2 of residue 77
Atom O of residue 563
Atom C of residue 86
GLY
LEU
ALA
Chain D
Atom CA of residue 66
Atom CA of residue 59
P0
PHE
Atom CA of residue 518
Atom CA of residue 511
Atom CA of residue 539
ALA
ALA
ALA
ILE
Atom CB of residue 575
Atom CB of residue 4
PHE
Atom CA of residue 75
Atom CA of residue 271
Atom CA of residue 543
Atom CA of residue 57
Atom CA of residue 549
Atom CA of residue 38
Atom CG2 of residue 112
Atom CA of residue 115
MET
GLN
ILE
Atom CA of residue 485
Atom CA of residue 2638
ASP
Atom C of residue 44
LYS
Atom CD1 of residue 26
Atom CA of residue 527
ILE
GLN
Atom O of residue 132
Atom CG2 of residue 8
LEU
Atom CA of residue 188
Atom CG of residue 97
Atom N of residue 83
Atom CA of residue 46
Atom NH2 of residue 47
ARG
LYS
Atom CA of residue 73
Atom CD2 of residue 64
Atom CA of residue 86
TRP
Atom CB of residue 438
Atom CB of residue 463
Atom CA of residue 118
Atom CA of residue 556
GLY
Atom CA of residue 77
GLN
Atom N of residue 25
ALA
LEU
GLY
MapReaderWriter27
Atom CB of residue 43
/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/input/in.em
Atom CB of residue 130
Atom O of residue 18
ILE
Atom CA of residue 184
Atom O of residue 124
Atom CG of residue 14
Atom CA of residue 99
ASN
Atom CG of residue 147
Atom CG2 of residue 125
ASP
ALA
LYS
LYS
Atom CA of residue 474
Atom CG1 of residue 109
SER
Atom CA of residue 190
ARG
Atom CG of residue 100
Atom CA of residue 68
Atom CB of residue 96
Atom N of residue 78
Atom CA of residue 428
Atom CG of residue 4
Atom CA of residue 20
LEU
Atom CA of residue 40
VAL
Atom CA of residue 2687
GLU
Atom CB of residue 26
Atom O of residue 66
Atom CA of residue 38
PRO
Atom CA of residue 2689
ALA
Atom CA of residue 150
Atom CA of residue 76
Atom CB of residue 563
Atom N of residue 521
MapReaderWriter38
SER
LYS
Atom CA of residue 15
GLU
Atom CA of residue 41
Atom CD of residue 13
Atom CA of residue 5
Atom CA of residue 250
Atom CA of residue 2648
Atom CA of residue 2630
GLU
Atom N of residue 13
Atom N of residue 114
TYR
ALA
Atom OG1 of residue 70
THR
PRO
ASN
PHE
Atom CE1 of residue 77
ASN
Atom CA of residue 16
ALA
Atom CA of residue 300
Atom CA of residue 168
Atom CA of residue 60
LEU
LYS
Atom C of residue 433
Atom CD of residue 65
Atom O of residue 44
Atom CA of residue 525
Atom CG of residue 491
Atom CA of residue 14
Atom CA of residue 96
Atom CA of residue 453
AccumulateRigidBodyDerivatives4
Atom NZ of residue 74
Atom CA of residue 150
Atom N of residue 9
Chain A
Atom CD1 of residue 4
SER
HIS
LEU
LYS
TRP
ASP
Atom CB of residue 78
Atom CA of residue 105
Atom CA of residue 46
LEU
Atom CA of residue 8
Atom CA of residue 61
GLU
ARG
GLU
VAL
LEU
Atom CA of residue 50
THR
Atom O of residue 24
Atom CA of residue 52
ALA
Atom CA of residue 538
ALA
Atom CA of residue 127
Atom CG of residue 444
GLU
Atom CA of residue 126
THR
Atom CB of residue 495
CYS
CYS
ASN
Atom CD of residue 14
Atom CA of residue 111
LYS
Atom CA of residue 47
ALA
ASP
Atom CA of residue 126
VAL
ASP
Atom CA of residue 94
Atom C of residue 64
Atom CA of residue 111
Atom OG1 of residue 463
Atom NH1 of residue 149
Atom CG2 of residue 109
GLN
GLU
Atom CA of residue 242
Atom CG2 of residue 89
Atom CA of residue 25
ASP
Atom O of residue 76
Atom N of residue 113
Atom CB of residue 9
Atom CA of residue 80
LYS
PRO
VAL
TYR
Atom N of residue 131
MET
LEU
TYR
Atom O of residue 109
TYR
Atom CA of residue 237
ASN
Atom CG1 of residue 142
Atom N of residue 48
PRO
Atom CA of residue 27
Atom CD2 of residue 26
Atom CG of residue 96
Atom CA of residue 42
Atom CD1 of residue 446
Atom CD2 of residue 4
Atom CA of residue 30
Atom OD2 of residue 19
Atom N of residue 27
GLU
Atom CA of residue 78
Atom CA of residue 114
Atom CA of residue 124
Atom CG of residue 438
Atom CA of residue 473
Atom C of residue 474
Atom CG2 of residue 70
Atom CG2 of residue 461
Atom CG1 of residue 563
Atom O of residue 568
Atom CA of residue 436
PRO
Atom CA of residue 16
Atom C of residue 136
GLN
ARG
Atom CA of residue 120
LEU
LYS
ASN
Atom CE1 of residue 544
ALA
Atom CA of residue 112
Atom CA of residue 2631
Atom C of residue 541
VAL
Atom CA of residue 2676
Atom CA of residue 16
GLN
Atom CG of residue 575
Atom CA of residue 542
ALA
Atom CD of residue 491
Atom CA of residue 67
LEU
Atom CA of residue 96
Atom C of residue 73
Atom CB of residue 76
Atom CA of residue 539
Atom CD2 of residue 584
HIS
ILE
Atom CA of residue 238
TYR
Atom CA of residue 544
SER
Atom CA of residue 2688
GLU
LEU
Atom CA of residue 482
SER
Atom O of residue 433
Atom CA of residue 151
Atom C of residue 525
Atom O of residue 86
Atom CA of residue 29
Atom CG of residue 24
LYS
Atom CD of residue 100
Atom O of residue 7
Atom CD of residue 444
Atom CA of residue 189
Atom CA of residue 340
Atom CA of residue 510
PRO
VAL
Atom CA of residue 248
GLY
TRP
rigid bodies list
Atom CB of residue 66
GLY
Atom CA of residue 85
Atom O of residue 64
Atom CA of residue 87
Atom CG of residue 78
THR
Atom NH2 of residue 149
ASN
Atom N of residue 118
Atom CB of residue 568
SER
Atom CA of residue 53
TRP
Atom CA of residue 63
Atom CA of residue 136
ALA
Atom O of residue 136
Atom CA of residue 2681
Atom CA of residue 154
Atom CA of residue 338
PRO
Atom CA of residue 76
Atom CA of residue 72
Atom CA of residue 127
Atom CA of residue 169
Atom CA of residue 16
Atom CB of residue 44
Atom CG2 of residue 142
GLY
Atom CA of residue 119
Atom CA of residue 57
Atom CA of residue 73
PRO
GLU
GLY
ASP
Atom CA of residue 83
ILE
Atom CA of residue 479
ASP
Atom O of residue 541
Atom CA of residue 22
Atom CA of residue 55
Atom CG of residue 43
Atom C of residue 78
Atom C of residue 94
Atom CA of residue 2690
Atom CA of residue 580
Atom CB of residue 109
Atom CD1 of residue 97
Atom CA of residue 125
Atom CB of residue 124
Atom CA of residue 83
Atom N of residue 462
Atom CA of residue 35
Atom CA of residue 84
Atom CD1 of residue 24
Chain A
Atom CA of residue 124
Atom CA of residue 519
Atom CE of residue 14
Atom NE2 of residue 544
VAL
GLN
LYS
Atom N of residue 20
Atom CA of residue 66
Atom CD1 of residue 575
ILE
GLN
PHE
Atom O of residue 525
ALA
Atom CB of residue 86
Atom OG of residue 568
Atom CA of residue 58
TRP
Atom CA of residue 550
Atom CG of residue 76
Atom CA of residue 17
LEU
Atom C of residue 136
Atom CB of residue 136
GLU
Atom N of residue 585
Atom CA of residue 116
Atom CA of residue 104
GLN
Atom CA of residue 486
Atom CD1 of residue 109
Atom CA of residue 502
MET
Atom CA of residue 47
Atom CA of residue 25
PRO
VAL
ASP
ASN
Atom CA of residue 144
Atom CB of residue 18
PHE
Atom CA of residue 45
Atom CA of residue 272
Atom CD2 of residue 11
TRP
Atom OG1 of residue 44
GLY
Atom N of residue 143
Atom CA of residue 557
Atom CA of residue 97
Atom O of residue 73
GLU
Atom CG of residue 130
Atom CA of residue 26
Atom CA of residue 72
PRO
Atom C of residue 120
Atom CA of residue 78
Atom CG of residue 495
TRP
Atom CA of residue 23
Atom CA of residue 95
GLN
THR
Atom CA of residue 62
Atom CA of residue 74
VAL
Atom CA of residue 14
LYS
Atom CA of residue 71
Atom CA of residue 39
Atom CA of residue 40
Atom CA of residue 105
LEU
Atom N of residue 126
Atom C of residue 105
THR
Atom CD1 of residue 438
Atom CA of residue 185
ASN
Atom CA of residue 178
Atom CE of residue 65
HIS
LYS
Atom CA of residue 521
LEU
Atom CG2 of residue 117
PRO
ASP
Atom CA of residue 127
ASP
Atom C of residue 473
Atom CE2 of residue 77
Atom CA of residue 243
Atom N of residue 569
Fit restraint
ARG
Atom CA of residue 41
Atom CB of residue 136
Atom CG of residue 136
Atom CA of residue 61
THR
ASN
Atom CA of residue 81
Atom OE1 of residue 491
Atom CA of residue 540
Atom CA of residue 512
Atom CE2 of residue 24
Atom N of residue 27
ASP
Atom OE1 of residue 100
Atom CD of residue 43
VAL
Atom CD2 of residue 97
Atom CE1 of residue 11
MET
PRO
LEU
Atom OG1 of residue 8
GLU
ALA
VAL
Atom OE1 of residue 444
Atom CG2 of residue 463
VAL
THR
ARG
LYS
Atom CA of residue 191
ARG
Atom C of residue 72
THR
Atom CA of residue 528
ASP
Atom CD of residue 96
Atom CA of residue 301
Atom CA of residue 43
Atom CA of residue 458
Atom N of residue 150
LEU
Atom CA of residue 2649
ASP
Atom CD of residue 76
Atom CA of residue 64
Atom CA of residue 26
Atom CA of residue 125
PHE
VAL
GLU
Atom CA of residue 78
Atom CA of residue 2689
PHE
GLN
Atom CA of residue 454
Atom O of residue 78
Atom CA of residue 170
Atom C of residue 580
ASP
ALA
Atom CA of residue 17
Atom CG2 of residue 44
Atom CA of residue 251
ALA
TRP
Atom OD1 of residue 136
VAL
ARG
Atom O of residue 474
Atom OD1 of residue 495
HIS
THR
Atom CB of residue 541
Atom CA of residue 9
Atom N of residue 19
Atom CA of residue 112
Atom CE2 of residue 11
Atom CG of residue 124
ASP
Atom CA of residue 48
PHE
VAL
SER
TYR
Atom CA of residue 4
LYS
LEU
ARG
Atom CA of residue 47
Atom O of residue 120
Atom CA of residue 190
LEU
Atom N of residue 71
GLU
Atom CA of residue 152
LYS
THR
Atom N of residue 545
HIS
Atom CA of residue 463
Atom CA of residue 11
ALA
Atom CB of residue 525
Atom NZ of residue 14
PRO
Atom CZ of residue 77
Atom CG of residue 86
ASP
PHE
Atom O of residue 136
TYR
Atom O of residue 105
ALA
LEU
GLU
Atom CD2 of residue 438
Atom N of residue 110
ILE
Atom CB of residue 433
Atom NZ of residue 65
MET
Atom CA of residue 145
PHE
Atom CA of residue 2692
Atom CA of residue 31
Atom CA of residue 553
LYS
PHE
SER
Atom CA of residue 128
Atom O of residue 473
SER
Atom C of residue 83
Atom CA of residue 474
Atom CA of residue 51
Atom C of residue 14
LEU
Atom CA of residue 27
Atom CG of residue 66
SER
Atom CE of residue 74
MET
GLU
Atom CA of residue 42
Atom CA of residue 125
Atom CD of residue 78
TRP
Atom CA of residue 62
ILE
LEU
PRO
Atom CA of residue 2677
Atom CA of residue 454
LYS
Atom CZ of residue 87
Atom CA of residue 113
GLN
CYS
Atom CZ of residue 11
Atom C of residue 48
Atom CB of residue 117
Atom CA of residue 48
Atom CA of residue 4
GLN
Atom CB of residue 474
Atom N of residue 464
P0
MET
Atom CA of residue 100
Atom CA of residue 79
LYS
Atom O of residue 72
TYR
THR
Atom CE of residue 96
Atom CA of residue 540
Atom CA of residue 539
Atom CA of residue 128
Atom O of residue 85
Model 34
Atom N of residue 45
THR
LEU
Atom CA of residue 6
Atom O of residue 94
Atom CA of residue 483
Atom CG1 of residue 109
Atom CA of residue 341
LEU
ILE
Atom CA of residue 503
Atom CA of residue 480
Atom NE2 of residue 491
Atom CA of residue 52
ARG
Atom OE1 of residue 43
MET
Atom OD1 of residue 130
Atom O of residue 580
Atom CA of residue 511
Atom N of residue 98
mol1 rigid body rigid body positions
GLU
Atom C of residue 144
Atom CA of residue 88
MET
VAL
Atom CA of residue 339
LEU
Atom CA of residue 133
Atom CA of residue 78
LEU
Atom CA of residue 66
Atom CA of residue 20
Atom OE2 of residue 100
Atom CA of residue 54
Atom C of residue 113
Atom CA of residue 44
THR
LEU
Atom CA of residue 2682
Atom CA of residue 581
Atom CB of residue 105
Atom OE2 of residue 444
PRO
LEU
GLU
Atom O of residue 48
LYS
Atom CA of residue 58
Atom CA of residue 128
Atom CA of residue 40
P1
Atom CD2 of residue 575
Atom CA of residue 543
ALA
ALA
ALA
Atom CA of residue 120
PRO
GLN
Atom C of residue 9
ASP
PRO
ILE
LEU
Atom CA of residue 74
Atom CA of residue 192
Atom N of residue 15
Atom C of residue 25
ARG
Atom CD of residue 66
PRO
Atom CA of residue 14
Atom OE1 of residue 78
Atom CA of residue 51
Atom CA of residue 2691
Atom CA of residue 79
Atom CG of residue 433
Atom CA of residue 14
Atom CA of residue 121
Atom CA of residue 541
Atom CA of residue 513
PRO
Atom CA of residue 27
SER
Atom CA of residue 97
Atom CB of residue 73
Atom C of residue 114
Atom CB of residue 85
Atom OD2 of residue 495
Atom CA of residue 12
Atom O of residue 83
Atom CA of residue 2640
Atom C of residue 14
Atom CE of residue 76
Atom CA of residue 41
Atom CB of residue 94
Atom N of residue 433
ALA
Atom CA of residue 153
Atom CA of residue 462
MET
GLU
TYR
GLY
Atom CB of residue 567
Atom CA of residue 67
LYS
GLU
Atom CA of residue 529
Atom CA of residue 2647
Atom O of residue 113
Atom CA of residue 152
Atom N of residue 135
LEU
Atom CB of residue 120
GLN
VAL
Atom CA of residue 114
Atom CA of residue 181
MET
Atom N of residue 78
Atom C of residue 521
Atom C of residue 27
Atom CA of residue 126
Atom CA of residue 86
Atom O of residue 144
ILE
Atom CG of residue 64
ASP
Atom CG2 of residue 109
Atom CA of residue 46
Atom CA of residue 186
LYS
Atom CG2 of residue 563
Atom CA of residue 79
Atom CA of residue 98
Atom CA of residue 438
Atom CA of residue 106
Atom CA of residue 585
Atom CA of residue 73
GLY
Atom CA of residue 273
LEU
LYS
Atom CA of residue 67
Atom CA of residue 96
GLU
ARG
Atom CA of residue 130
Atom CA of residue 63
Atom CA of residue 126
LYS
ASP
Atom CA of residue 2650
Atom CD1 of residue 86
Atom CA of residue 39
Atom CA of residue 74
MET
Atom CA of residue 54
Atom O of residue 14
Atom O of residue 25
Chain B
Atom N of residue 77
Atom CE1 of residue 575
Atom CA of residue 191
DensityMap890
GLU
LEU
Atom CG of residue 474
Atom O of residue 484
Chain  
Atom CA of residue 558
Atom CA of residue 244
Atom CG of residue 567
PHE
Atom CA of residue 36
Atom CA of residue 55
Atom NZ of residue 96
LEU
Atom CA of residue 117
Atom N of residue 445
LEU
Atom CA of residue 487
THR
LEU
Atom CA of residue 82
Atom CA of residue 520
Atom CA of residue 481
Atom CA of residue 252
ALA
Atom CB of residue 72
Fit restraint internal rb map
PRO
Atom CB of residue 473
Atom CA of residue 150
Atom OD1 of residue 124
VAL
Atom N of residue 492
Atom O of residue 118
Atom C of residue 20
Atom CA of residue 59
Atom CA of residue 551
VAL
Atom CA of residue 302
ALA
LYS
Fit restraint
Atom CA of residue 583
Atom CA of residue 475
Atom O of residue 521
LEU
LYS
Atom NE2 of residue 43
PRO
ASN
ASP
Atom CB of residue 580
TRP
Atom CA of residue 71
Atom CA of residue 134
GLU
Atom OG of residue 525
LEU
Atom N of residue 542
Atom CA of residue 455
Atom CG of residue 73
LEU
Atom CB of residue 113
Atom ND2 of residue 130
Atom CG of residue 105
Atom CA of residue 129
ASN
Atom CA of residue 143
HIS
Atom O of residue 14
Atom CA of residue 458
ALA
Atom CD1 of residue 64
PRO
Atom N of residue 66
Atom N of residue 564
ILE
Atom OD1 of residue 567
MET
PHE
GLY
Atom CA of residue 135
Atom CA of residue 540
Atom CA of residue 132
Atom CG of residue 120
Atom CA of residue 12
Atom N of residue 439
ALA
ASN
LYS
Atom CA of residue 75
Atom N of residue 101
Atom CA of residue 22
Atom OD1 of residue 136
Atom OE2 of residue 78
Atom CA of residue 19
Atom CA of residue 52
Atom CA of residue 134
Atom CA of residue 15
Atom CA of residue 45
Atom C of residue 462
MET
MET
GLU
ALA
Atom CA of residue 63
Atom CA of residue 48
Atom CG of residue 85
SER
ARG
Atom N of residue 496
ASN
TRP
ASP
Atom CG of residue 94
ALA
TYR
ARG
TRP
Atom CB of residue 48
LEU
Atom CA of residue 101
Atom CD2 of residue 86
Atom CA of residue 32
Atom CA of residue 105
HIS
THR
Atom O of residue 114
Atom C of residue 585
ASP
SER
Atom CA of residue 21
Atom C of residue 110
LYS
TYR
MET
Atom CA of residue 545
ALA
LEU
ILE
Atom CA of residue 554
Atom CB of residue 14
ILE
ALA
Atom CB of residue 144
Atom CA of residue 515
VAL
Atom CA of residue 113
GLN
Atom CD1 of residue 109
Atom CA of residue 80
GLN
Atom CA of residue 492
Atom CB of residue 14
Atom CA of residue 2678
ASP
PHE
Atom C of residue 126
GLU
ILE
PRO
Atom CA of residue 39
Atom N of residue 73
VAL
PHE
ARG
Atom CA of residue 106
TYR
Atom CG of residue 473
ASP
Atom CB of residue 83
Atom C of residue 45
Atom CA of residue 5
Atom CA of residue 49
Atom C of residue 27
Atom CG of residue 13
Atom CA of residue 98
ASN
THR
/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/input/1z5s.mrc
VAL
LEU
ALA
LYS
TRP
THR
GLU
ILE
Atom CB of residue 25
Atom CA of residue 17
LEU
Atom N of residue 44
PHE
Atom CE2 of residue 575
Atom O of residue 9
Atom CG of residue 580
Atom CA of residue 342
Atom CA of residue 98
Atom CA of residue 14
Atom CG of residue 48
Atom CA of residue 113
Atom CB of residue 560
Atom CA of residue 59
Atom CA of residue 67
LEU
ARG
ASP
Atom N of residue 135
ASP
THR
ALA
Atom CA of residue 49
Atom CA of residue 182
Atom OD1 of residue 433
Atom CA of residue 504
Atom CA of residue 154
Atom CA of residue 146
Atom C of residue 96
Atom CA of residue 87
Atom CA of residue 45
PRO
Atom CA of residue 160
Atom CA of residue 18
Atom ND2 of residue 124
Atom N of residue 526
Atom CA of residue 546
ALA
LEU
LYS
Atom CD of residue 73
Atom CD1 of residue 474
Atom CA of residue 79
Atom N of residue 522
Atom CA of residue 2690
mol_3 rigid body
Atom CA of residue 59
Atom CA of residue 433
Atom CA of residue 66
NormalizeRotation0
Atom O of residue 45
Atom O of residue 27
Atom CA of residue 101
Atom N of residue 97
Atom CG of residue 113
Atom CA of residue 126
Atom CG2 of residue 132
Atom CA of residue 64
Atom CA of residue 544
Atom C of residue 545
Atom CA of residue 46
Atom CA of residue 61
ASP
LEU
Atom CA of residue 459
Atom CA of residue 88
Atom C of residue 19
LEU
Atom CA of residue 192
Atom CA of residue 122
Atom CA of residue 2651
THR
Atom CA of residue 7
LYS
ARG
Atom CA of residue 464
LYS
VAL
Atom CA of residue 521
Atom CA of residue 559
Atom CA of residue 542
Atom CA of residue 19
Atom CA of residue 514
Atom CG of residue 14
Atom CA of residue 514
Atom N of residue 67
Atom CA of residue 107
Atom CA of residue 541
Atom CB of residue 9
Atom C of residue 2
Atom CA of residue 53
Atom CA of residue 135
PRO
ALA
Atom CA of residue 542
Atom O of residue 27
Atom CA of residue 18
Atom CA of residue 60
Atom CA of residue 552
Atom CA of residue 89
Atom N of residue 79
Atom CA of residue 80
Atom CA of residue 484
Atom C of residue 71
Atom CA of residue 110
ALA
Atom CA of residue 261
Atom CA of residue 274
Atom CA of residue 28
ILE
ALA
Atom CA of residue 530
MET
Atom CA of residue 512
PHE
Atom CG of residue 83
Atom C of residue 143
Atom CA of residue 42
Atom SD of residue 48
Atom CG of residue 560
Atom O of residue 569
Atom O of residue 101
Atom CD of residue 13
LYS
SampledDensityMap23
Atom CA of residue 42
Atom CB of residue 114
PHE
Atom CA of residue 540
GLU
Atom CA of residue 80
PRO
AccumulateRigidBodyDerivatives3
Atom CA of residue 439
Atom CA of residue 28
Atom CA of residue 21
Atom CG of residue 136
Atom CA of residue 151
ARG
Atom CA of residue 2683
LYS
Atom CD1 of residue 85
Atom CA of residue 15
GLU
Atom CA of residue 11
Atom CB of residue 27
ALA
ARG
Atom CD1 of residue 94
Atom CA of residue 2692
SER
Atom N of residue 110
Atom C of residue 150
Atom CA of residue 187
Atom CA of residue 127
Atom CA of residue 560
Atom CA of residue 121
VAL
ASP
Atom O of residue 96
ASN
SER
GLN
Atom CA of residue 193
Atom C of residue 542
GLU
MET
Atom CA of residue 12
GLN
Atom CD2 of residue 474
Atom C of residue 496
ASP
LYS
Atom CA of residue 564
Atom N of residue 14
Atom CG of residue 144
Atom CA of residue 30
Atom CA of residue 118
Atom CD of residue 105
Atom CA of residue 488
THR
LYS
Atom CB of residue 569
Atom CA of residue 77
Atom CA of residue 303
Atom CZ of residue 575
Atom CA of residue 68
Atom CA of residue 439
Atom CA of residue 50
Atom OD2 of residue 433
Atom CA of residue 155
Atom O of residue 462
LEU
LEU
LYS
Atom CB of residue 27
LYS
AccumulateRigidBodyDerivatives14
Atom CA of residue 99
THR
Atom CA of residue 457
PRO
HIS
ALA
Atom CA of residue 516
Atom CD1 of residue 120
GLY
Atom CA of residue 14
Atom O of residue 545
Atom C of residue 32
HIS
Atom CA of residue 114
ALA
Atom CA of residue 64
LEU
Atom CA of residue 52
Atom CA of residue 24
Atom CB of residue 96
Atom O of residue 585
PHE
GLU
Atom O of residue 143
GLU
Atom CE of residue 48
Atom CA of residue 253
Atom CA of residue 23
Atom CG1 of residue 25
Atom CA of residue 97
Atom CA of residue 73
VAL
Atom CA of residue 11
Atom CD of residue 113
GLU
LYS
Atom CD1 of residue 132
Atom CE1 of residue 64
PRO
Atom O of residue 150
Atom O of residue 71
Atom CA of residue 2646
TYR
Atom N of residue 87
Atom CA of residue 245
Atom CA of residue 47
Atom CA of residue 19
Atom CD of residue 14
THR
HIS
Atom N of residue 74
Atom CA of residue 76
VAL
Atom O of residue 126
Atom CA of residue 541
LYS
Atom CA of residue 75
Atom CA of residue 445
Atom CA of residue 111
LEU
Atom CA of residue 83
Atom CA of residue 133
ALA
/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/input/in.mrc
Atom NE of residue 13
Atom CA of residue 53
Atom O of residue 77
GLU
Atom CD1 of residue 473
VAL
Atom N of residue 125
Atom CA of residue 234
GLY
LEU
ASN
Atom CA of residue 29
PRO
Atom CG of residue 9
ILE
Atom CA of residue 54
Atom CA of residue 49
Atom CD2 of residue 85
Atom CB of residue 496
VAL
LEU
Atom CA of residue 19
THR
LYS
python stream rigid body
TRP
Atom CA of residue 115
Atom CA of residue 75
LYS
Atom CB of residue 462
Model 0
Atom CA of residue 492
Atom C of residue 564
Atom CA of residue 2691
Atom CA of residue 2633
Atom CD1 of residue 144
Atom N of residue 106
Atom CA of residue 584
Atom CA of residue 33
PRO
PRO
SER
GLY
Atom C of residue 15
Fit restraint
Atom CD1 of residue 560
Atom CA of residue 2679
normalize rigid bodies
Atom C of residue 101
THR
MET
Atom OD2 of residue 136
Atom CA of residue 127
Atom CA of residue 13
GLY
Atom CD1 of residue 580
Atom CA of residue 432
Atom C of residue 98
Atom C of residue 66
ASP
GLU
Atom CA of residue 147
Atom CA of residue 66
ARG
PRO
Atom CB of residue 585
Atom CD2 of residue 120
Atom CA of residue 193
PRO
GLU
Atom O of residue 110
Atom CB of residue 545
ALA
Atom CZ2 of residue 16
GLU
Atom CG1 of residue 27
Atom CA of residue 97
Atom N of residue 576
Atom CD2 of residue 94
Atom CB of residue 45
ASP
Atom CA of residue 7
THR
Atom CA of residue 99
Atom CA of residue 42
THR
Atom CA of residue 542
PRO
LYS
LYS
VAL
ASP
created density map
Atom CA of residue 343
Atom CG of residue 143
PHE
Atom CA of residue 114
Atom CG2 of residue 25
GLN
LEU
Atom N of residue 10
ILE
Atom CG of residue 114
Atom O of residue 19
ALA
Atom CA of residue 2
CYS
Atom CA of residue 485
GLU
THR
LEU
ILE
LEU
Atom CA of residue 106
Atom CA of residue 65
Atom CA of residue 513
Atom CA of residue 161
Atom CA of residue 77
Atom CA of residue 547
LEU
THR
Atom CA of residue 10
ARG
PHE
Atom N of residue 49
PRO
Atom O of residue 32
Atom CA of residue 33
Atom CG of residue 27
PHE
Atom CE of residue 14
Atom CA of residue 515
Atom C of residue 67
Atom CA of residue 21
Atom CG of residue 96
LYS
Atom CA of residue 2684
Atom C of residue 464
Atom CA of residue 52
GLU
ILE
GLY
Atom CZ3 of residue 16
Atom CA of residue 73
Atom CA of residue 555
LYS
ASP
GLN
LEU
Atom CD2 of residue 473
Fit restraint scratch map
Atom O of residue 98
Atom O of residue 66
Atom ND1 of residue 83
Atom CA of residue 29
Atom CG1 of residue 45
Atom CA of residue 40
ASP
Atom CA of residue 122
HIS
LEU
Atom CA of residue 31
HIS
Atom C of residue 445
HIS
Atom CA of residue 522
LEU
Atom CA of residue 344
Atom CA of residue 2646
Atom CA of residue 44
Atom CA of residue 42
Atom OE1 of residue 113
Atom CA of residue 131
Atom CE2 of residue 64
Atom CD2 of residue 580
Atom CA of residue 76
Atom CB of residue 150
ILE
GLU
ALA
Atom CA of residue 50
Atom CA of residue 61
PRO
LYS
Atom C of residue 439
Atom CA of residue 496
Atom CA of residue 505
Atom CA of residue 522
Atom C of residue 492
Atom CA of residue 134
Atom CA of residue 571
Atom CA of residue 437
Atom CB of residue 77
GLU
Atom CB of residue 126
Atom CA of residue 18
Atom CB of residue 19
VAL
Atom CA of residue 262
ILE
Atom CA of residue 526
GLU
ASP
Atom CA of residue 61
Atom CA of residue 553
Atom CA of residue 4
Atom CA of residue 90
Atom CA of residue 55
ILE
LEU
Atom CA of residue 81
PRO
Atom N of residue 434
Atom CA of residue 156
ALA
Atom O of residue 9
Atom CA of residue 107
Atom CG of residue 462
Atom CA of residue 123
Atom O of residue 542
Atom CA of residue 43
Atom N of residue 475
Atom CB of residue 71
Atom CA of residue 275
LEU
Atom CA of residue 99
Atom CA of residue 10
Atom CA of residue 108
Atom C of residue 131
Atom CD of residue 9
LYS
ARG
GLN
MET
Atom CA of residue 261
Atom CA of residue 58
VAL
THR
Atom N of residue 133
Atom CA of residue 33
Atom CG of residue 585
Atom CA of residue 545
Atom CA of residue 2693
Atom N of residue 121
GLU
Atom CA of residue 543
GLN
Atom CA of residue 515
LEU
LEU
THR
Atom CA of residue 9
Atom CD of residue 114
Atom CA of residue 37
GLN
python stream rigid body
Atom CA of residue 188
PHE
Atom CA of residue 125
Atom CG2 of residue 45
Atom CB of residue 12
Atom CA of residue 20
Atom CB of residue 32
Atom CA of residue 60
Atom C of residue 4
ASP
TYR
Atom O of residue 464
PRO
Atom CB of residue 110
Atom CA of residue 53
Atom O of residue 496
Atom CD of residue 143
SER
Atom CA of residue 254
Atom O of residue 564
Atom CA of residue 19
VAL
Atom CA of residue 531
Atom CA of residue 304
Atom CA of residue 517
ALA
Atom CA of residue 209
Atom CA of residue 151
Atom CA of residue 493
Atom CA of residue 87
Atom CA of residue 73
ASP
ILE
SER
Atom CG2 of residue 27
PRO
Atom CA of residue 77
Atom CA of residue 79
Atom CA of residue 70
ARG
Atom CA of residue 81
Atom C of residue 73
Atom CA of residue 100
LEU
ASN
Atom O of residue 131
Atom CA of residue 89
Atom CA of residue 156
Atom CA of residue 194
GLN
Atom CA of residue 49
Atom CH2 of residue 16
Atom CD2 of residue 560
Atom CA of residue 37
Atom CA of residue 8
Atom CA of residue 194
THR
Atom O of residue 439
Atom CA of residue 65
VAL
PHE
Atom CA of residue 2652
ASP
Atom C of residue 44
Atom C of residue 97
ASN
GLN
Atom N of residue 86
Atom O of residue 481
Atom CA of residue 15
Atom CB of residue 98
Atom CD2 of residue 83
PRO
SER
Chain D
Atom CZ of residue 64
Atom CA of residue 110
LYS
TRP
Atom CA of residue 128
SER
Atom CA of residue 246
Atom CA of residue 74
Atom O of residue 67
Atom C of residue 10
MET
Atom OE2 of residue 113
Atom CD2 of residue 144
LEU
Atom N of residue 581
Atom CA of residue 93
Atom CA of residue 2631
Atom CA of residue 25
HIS
Atom CA of residue 84
Atom C of residue 526
Atom CG of residue 12
PRO
Atom N of residue 569
Atom CA of residue 40
LEU
Atom CA of residue 133
Atom N of residue 95
VAL
SER
MET
LEU
Atom CA of residue 34
Atom CG of residue 71
Atom CB of residue 66
DensityMap24
GLU
ASP
Atom CG of residue 126
Atom CA of residue 81
Atom CA of residue 119
Atom CG of residue 19
Atom CA of residue 489
GLU
Atom N of residue 46
VAL
PRO
Atom C of residue 49
VAL
LEU
Atom CA of residue 74
Atom CA of residue 43
HIS
Atom NE of residue 114
ALA
ASN
Atom CA of residue 56
SER
GLN
Atom CA of residue 157
Atom O of residue 492
Atom CA of residue 53
Atom CA of residue 556
Atom CA of residue 2680
Atom CA of residue 70
Atom O of residue 445
ARG
Atom CG of residue 545
Atom CG of residue 32
Atom CB of residue 542
Atom N of residue 26
Atom NZ of residue 76
Atom CA of residue 90
Atom CA of residue 128
ALA
SER
VAL
Atom N of residue 151
Atom OE1 of residue 143
Atom CA of residue 474
ASN
ARG
Atom CA of residue 74
Atom CB of residue 131
Atom CA of residue 542
Atom OE1 of residue 9
ILE
Atom CA of residue 74
ALA
Atom CA of residue 51
Atom N of residue 561
VAL
Atom CA of residue 27
Atom CA of residue 344
Atom OD1 of residue 462
LYS
Atom CA of residue 148
LYS
ALA
Atom O of residue 97
VAL
Atom CA of residue 543
ASN
Atom CA of residue 585
LEU
GLN
Atom C of residue 522
Atom N of residue 10
LYS
Atom CA of residue 518
GLU
Atom C of residue 79
GLU
PHE
THR
Atom CA of residue 162
Atom CA of residue 67
PRO
Atom CA of residue 548
GLY
Atom CA of residue 345
GLU
Atom CA of residue 456
Atom CD1 of residue 585
Atom CA of residue 50
Atom CA of residue 22
LEU
Atom O of residue 526
Atom CA of residue 2632
Atom CE3 of residue 16
ALA
Atom N of residue 28
Atom CA of residue 77
LEU
Atom CA of residue 124
Atom CA of residue 22
Atom CB of residue 564
ASP
SER
LYS
LEU
Atom CE1 of residue 144
Atom CA of residue 2685
VAL
MET
Atom CE1 of residue 473
Atom CA of residue 115
GLY
PRO
Atom CA of residue 41
ARG
Atom CA of residue 109
Atom CA of residue 576
SER
Atom CA of residue 546
Atom C of residue 110
Atom CA of residue 434
ALA
Atom CA of residue 123
THR
LYS
Atom CA of residue 101
Atom CD of residue 96
Atom CA of residue 75
Atom CA of residue 4
LEU
Atom C of residue 125
PRO
Atom CA of residue 26
Atom CD of residue 12
LEU
LYS
Atom CA of residue 2631
Atom CD of residue 32
ALA
LYS
THR
ASP
GLY
Atom C of residue 133
Atom CA of residue 18
Atom C of residue 106
LEU
Atom CA of residue 475
GLN
Atom CB of residue 143
Atom CA of residue 195
Atom C of residue 87
Atom N of residue 570
Atom CB of residue 67
Atom CA of residue 115
Atom CB of residue 445
ASN
Atom CA of residue 210
Atom CA of residue 263
Atom CA of residue 506
Atom SD of residue 545
SampledDensityMap30
Atom O of residue 73
ASN
Atom CB of residue 97
Atom CA of residue 90
LEU
PHE
Atom CA of residue 125
TRP
Atom CD of residue 27
Atom N of residue 65
TYR
TYR
Atom CA of residue 82
Atom CB of residue 439
Atom CA of residue 157
Atom CG of residue 110
Atom CA of residue 81
Atom O of residue 522
Atom O of residue 44
Atom CA of residue 110
VAL
Atom CA of residue 57
Atom CA of residue 195
Atom CG of residue 98
LYS
VAL
LEU
Atom OD2 of residue 462
Atom CB of residue 492
Atom C of residue 571
Atom CA of residue 102
Atom C of residue 74
Atom CA of residue 44
LEU
Atom CA of residue 121
Atom CB of residue 464
Atom CA of residue 189
LYS
Atom CA of residue 30
GLU
LYS
Atom CA of residue 265
VAL
Atom O of residue 21
Atom CA of residue 91
Atom O of residue 79
Atom OD1 of residue 19
Atom CA of residue 2
Atom CA of residue 487
LYS
Atom CG of residue 66
Atom CE1 of residue 83
VAL
ALA
Atom CA of residue 41
SER
Atom CZ of residue 114
Atom CG of residue 131
Atom CD2 of residue 585
Atom CA of residue 523
Atom CA of residue 544
Atom CA of residue 516
GLY
MapReaderWriter40
ALA
ALA
Atom CA of residue 2647
Atom N of residue 102
MET
Atom CD of residue 126
VAL
Atom CA of residue 78
PRO
Atom O of residue 87
GLN
Atom O of residue 49
ALA
Atom CA of residue 62
Atom CA of residue 554
Atom CA of residue 305
Atom CA of residue 82
Atom CA of residue 120
Atom CA of residue 138
Atom CA of residue 108
THR
Atom CA of residue 86
Atom CA of residue 490
Atom CE2 of residue 473
Atom CA of residue 508
ARG
Atom O of residue 125
Atom CA of residue 561
GLY
Atom CA of residue 74
Atom C of residue 10
Atom CA of residue 532
PHE
Atom CA of residue 17
Atom CA of residue 91
Atom CA of residue 32
ARG
1z5s_A_fitted.pdb
Atom O of residue 110
Atom C of residue 23
ASP
Atom CA of residue 494
TYR
Atom CA of residue 75
Atom CA of residue 91
GLY
Atom CD1 of residue 71
Atom CA of residue 102
VAL
Atom CB of residue 526
Atom CA of residue 158
VAL
Atom CA of residue 82
Atom OE1 of residue 32
Atom CA of residue 2646
Atom CE of residue 96
VAL
Atom C of residue 576
THR
LEU
ASN
Atom CA of residue 466
Atom CA of residue 2653
Atom O of residue 87
Atom NE of residue 27
Atom CA of residue 436
ALA
Atom N of residue 145
Atom CA of residue 35
Atom CD of residue 110
Atom CA of residue 255
Atom CG of residue 542
Atom CB of residue 73
Atom CA of residue 59
Atom CG1 of residue 97
Atom CB of residue 21
SER
ARG
Atom CA of residue 581
GLU
Atom C of residue 560
Atom CD of residue 98
ILE
Atom CB of residue 49
Atom O of residue 571
Atom CA of residue 54
ALA
PRO
CYS
Atom CA of residue 586
Atom N of residue 440
GLU
SER
Atom CA of residue 26
ALA
Atom CB of residue 44
Atom OE2 of residue 9
VAL
GLY
VAL
Atom CB of residue 87
Atom NE2 of residue 83
Atom O of residue 23
Atom CA of residue 152
LYS
Atom O of residue 74
Atom N of residue 114
Atom NH1 of residue 114
VAL
PHE
Atom OG of residue 464
ASP
LYS
Atom OG1 of residue 564
Atom CB of residue 101
TYR
ASN
Atom CA of residue 149
Atom OD2 of residue 19
THR
Atom CB of residue 125
PRO
Atom CA of residue 2681
PHE
LEU
LYS
Atom CA of residue 557
Atom CA of residue 247
Atom CA of residue 106
Atom CA of residue 21
PRO
Atom CA of residue 58
ASP
Atom OD1 of residue 66
Atom CA of residue 116
Atom CA of residue 61
PRO
TYR
Atom CA of residue 116
Atom CA of residue 66
Atom C of residue 475
Atom CA of residue 26
LEU
HIS
LEU
Atom CB of residue 532
Atom CA of residue 2693
Atom O of residue 10
ASP
Atom CA of residue 25
Atom CA of residue 92
Atom CA of residue 95
Atom CA of residue 543
ASN
Atom CA of residue 36
PRO
Atom CA of residue 345
GLY
Atom CA of residue 52
Atom CA of residue 15
LEU
ALA
Atom CA of residue 75
ILE
Atom CD of residue 131
Atom CB of residue 79
THR
ASN
Atom CD2 of residue 71
MET
ASP
PRO
Atom CA of residue 247
ASN
Atom OE2 of residue 32
Atom CA of residue 73
ASP
ILE
Atom C of residue 17
Atom OE1 of residue 126
ARG
Atom CE2 of residue 144
Atom CA of residue 163
Atom CA of residue 85
Atom CG of residue 492
GLU
Atom CB of residue 571
Atom CB of residue 10
Atom CA of residue 23
Atom CA of residue 19
Atom C of residue 436
Atom CA of residue 139
Atom CG of residue 481
Atom CA of residue 475
MET
GLU
Atom OG1 of residue 67
Atom CA of residue 71
Atom CG of residue 445
ASP
Atom CA of residue 196
Atom CB of residue 23
ALA
Atom CA of residue 15
LEU
Atom CA of residue 117
ARG
Atom CB of residue 110
Atom CA of residue 151
Atom CA of residue 103
Atom OE2 of residue 143
Atom CA of residue 159
GLN
Atom CA of residue 149
Atom CG2 of residue 564
Atom CD1 of residue 542
Atom O of residue 572
ARG
ASP
GLN
Atom CA of residue 33
Atom N of residue 10
Atom CA of residue 2
PRO
LEU
LEU
Atom CG of residue 49
Atom N of residue 12
Atom CE of residue 545
Atom CA of residue 4
ARG
Atom CA of residue 547
ILE
Atom CA of residue 346
TYR
HIS
Atom CG of residue 21
Atom CA of residue 544
python stream rigid body
Atom C of residue 86
THR
Atom CG of residue 526
ALA
Atom CA of residue 1
Atom CA of residue 561
PHE
Atom N of residue 465
Atom OD2 of residue 66
Atom CA of residue 264
Atom N of residue 463
Atom NE2 of residue 126
LEU
Atom CA of residue 80
Atom O of residue 133
Atom C of residue 95
Atom C of residue 121
Atom CA of residue 211
Atom CG of residue 87
Atom N of residue 84
Atom CB of residue 522
LEU
Atom CA of residue 28
MET
Atom NZ of residue 96
HIS
Atom O of residue 576
Atom CA of residue 92
Atom O of residue 106
Atom O of residue 475
Atom CA of residue 123
ASP
Atom CB of residue 87
PHE
PRO
LYS
Atom CB of residue 74
Atom CA of residue 36
Atom CA of residue 150
Atom CE1 of residue 585
Atom CA of residue 2686
LYS
python stream
Atom CG1 of residue 125
ASN
Atom CA of residue 51
Atom CA of residue 21
Atom CA of residue 468
Atom CA of residue 9
Atom CA of residue 88
Atom CG of residue 79
Atom CA of residue 79
GLN
1z5s.pdb
Atom CA of residue 60
Atom CA of residue 126
Atom CA of residue 31
VAL
GLU
Atom CA of residue 124
ILE
Atom CA of residue 103
Atom CZ of residue 144
ASN
Atom CD of residue 445
Atom CA of residue 59
Atom CA of residue 71
Atom CZ of residue 473
GLY
Atom O of residue 560
Atom CA of residue 549
ILE
Atom C of residue 26
GLY
VAL
Atom CA of residue 62
ARG
Atom CA of residue 28
ARG
Atom O of residue 5
Atom CA of residue 22
Atom CA of residue 109
ILE
Atom CA of residue 100
ASN
Atom CA of residue 190
ARG
Atom CA of residue 524
Atom OD1 of residue 492
Atom N of residue 546
PRO
Atom OG1 of residue 73
GLY
ALA
TYR
Atom CA of residue 306
Atom CA of residue 89
Atom N of residue 132
Atom CA of residue 488
Atom CG of residue 110
Atom O of residue 77
Atom CA of residue 196
/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/input/three_particles_in.em
Atom CA of residue 256
Atom CA of residue 562
Atom CA of residue 2678
Atom CA of residue 516
Atom CA of residue 107
Atom CG2 of residue 67
Atom CA of residue 102
Atom CA of residue 63
Atom CA of residue 555
ASP
Atom NH2 of residue 114
LYS
Atom CA of residue 121
ILE
rigid bodies list
Atom O of residue 121
Atom CA of residue 491
PHE
Atom CA of residue 507
Atom CD of residue 526
Atom N of residue 11
Atom C of residue 561
Atom OG1 of residue 44
Atom C of residue 581
PRO
Atom CA of residue 23
Atom C of residue 151
Atom OE1 of residue 98
GLN
THR
Atom CB of residue 572
Atom CA of residue 65
Atom CA of residue 91
ASP
Atom O of residue 86
Atom CA of residue 83
LEU
Atom CA of residue 153
Atom CA of residue 2648
LEU
Atom CA of residue 67
Atom N of residue 144
LEU
ALA
Atom N of residue 565
SER
ARG
Atom CB of residue 10
NullModifier3
Atom CA of residue 45
HIS
Atom CE2 of residue 585
SER
Atom CA of residue 3
Atom CA of residue 509
Atom CA of residue 17
Atom N of residue 497
GLU
ASP
Atom CG of residue 522
Atom CA of residue 75
Atom N of residue 33
Atom CZ of residue 27
PRO
Atom CA of residue 60
Atom CA of residue 76
VAL
Atom CB of residue 576
SER
Atom N of residue 20
Atom CE of residue 110
ILE
Atom OG1 of residue 87
TYR
Atom N of residue 7
Atom N of residue 17
Atom CG of residue 74
CYS
Atom O of residue 95
Atom CB of residue 106
Atom CA of residue 104
Atom N of residue 2
Atom CA of residue 587
SER
Atom CA of residue 86
ASP
Atom CA of residue 12
Atom CA of residue 545
Atom CA of residue 517
Atom N of residue 31
ASP
Atom CA of residue 80
Atom CA of residue 127
Atom CA of residue 44
Atom CG1 of residue 23
VAL
Atom CA of residue 495
Atom CA of residue 55
Atom CA of residue 2654
CYS
Atom CA of residue 20
Atom CB of residue 133
GLY
ASP
Atom N of residue 474
GLU
ALA
Atom O of residue 26
Atom CG2 of residue 73
Atom CA of residue 2682
Atom CA of residue 533
Atom CD of residue 21
Atom CA of residue 114
Atom N of residue 127
Atom O of residue 581
ASN
Atom OD2 of residue 492
Atom CD of residue 49
ASN
PHE
TRP
Atom CA of residue 265
Atom N of residue 72
PHE
Atom CA of residue 160
ARG
Atom CA of residue 83
Atom CD2 of residue 542
Atom CA of residue 73
Atom CA of residue 2647
MET
Atom CG2 of residue 44
PRO
Atom N of residue 97
LYS
ALA
Atom CA of residue 117
ALA
Atom CD1 of residue 87
Atom OE2 of residue 98
LYS
Atom CA of residue 24
Atom O of residue 436
Atom CA of residue 15
Atom CA of residue 44
Atom CA of residue 568
MET
GLN
TYR
Atom CA of residue 143
ASP
Atom CE of residue 445
Atom CA of residue 60
HIS
Atom CA of residue 440
Atom CA of residue 72
Atom CA of residue 346
Atom O of residue 89
LYS
Atom CA of residue 26
GLU
PRO
Atom O of residue 151
GLY
ASP
Atom CG2 of residue 23
TYR
PHE
Atom N of residue 11
GLN
THR
LEU
LYS
Atom CA of residue 76
VAL
Atom C of residue 65
GLN
Atom CB of residue 475
SER
THR
Atom CA of residue 164
HIS
Atom NH1 of residue 27
Atom CA of residue 90
ILE
Atom CA of residue 20
Atom NZ of residue 110
Atom CA of residue 347
Atom O of residue 561
Atom CA of residue 267
Atom CB of residue 121
LEU
Atom OE1 of residue 526
ARG
ILE
MET
ARG
Atom CA of residue 558
ALA
Atom C of residue 28
TRP
Atom CA of residue 72
ARG
Atom N of residue 67
GLU
Atom CA of residue 463
Atom CA of residue 469
PRO
Chain A
HIS
ASP
ALA
GLU
MET
THR
Atom CA of residue 54
SER
Atom CA of residue 150
Atom CD1 of residue 522
LEU
ALA
Atom CA of residue 27
Atom CG2 of residue 97
Atom CA of residue 35
Atom CA of residue 51
Atom CA of residue 9
Atom N of residue 96
Atom CA of residue 53
Atom CA of residue 10
Atom CZ of residue 585
Atom CB of residue 65
1z5s_A.pdb
SER
Atom CA of residue 68
Atom CA of residue 465
LYS
VAL
GLU
Atom N of residue 22
Atom CA of residue 545
Atom CA of residue 153
Atom N of residue 115
Atom CA of residue 544
ILE
Atom CA of residue 265
Atom OE1 of residue 49
ASP
SER
Atom CG2 of residue 5
Atom CD of residue 79
Atom N of residue 107
ALA
Atom CA of residue 508
ALA
Atom CA of residue 128
P1
Atom CA of residue 446
Atom CB of residue 10
Atom OH of residue 144
LEU
Atom CB of residue 86
Atom CA of residue 49
Atom CD2 of residue 87
Atom N of residue 24
Atom CA of residue 43
LYS
Atom CA of residue 546
VAL
Writer to temp_000.pdb
Atom CB of residue 436
Atom CA of residue 97
THR
Atom CA of residue 93
Atom CA of residue 144
Atom CA of residue 84
Atom CA of residue 486
GLN
ASP
GLU
Atom CB of residue 89
Atom N of residue 543
Atom N of residue 74
ALA
Atom N of residue 68
Atom CA of residue 2687
Atom CA of residue 36
LYS
Atom C of residue 20
GLN
Atom CB of residue 581
GLU
VAL
Atom C of residue 13
Atom CA of residue 46
Atom CA of residue 430
Atom CA of residue 548
GLN
Atom C of residue 440
Atom CD of residue 110
Atom CG of residue 475
ALA
Atom CA of residue 510
Atom CA of residue 3
Atom CA of residue 61
Atom CA of residue 32
Atom CA of residue 161
Atom CA of residue 126
GLY
LYS
LYS
Atom OD1 of residue 102
Atom CA of residue 104
Atom N of residue 45
Atom C of residue 114
LYS
Atom CB of residue 95
Atom N of residue 99
GLN
Atom CA of residue 76
GLN
GLN
Atom CA of residue 111
Atom CA of residue 45
THR
Atom CA of residue 38
Atom CA of residue 7
Atom CA of residue 61
ARG
TYR
Atom N of residue 493
Atom CA of residue 546
Atom CA of residue 13
Atom O of residue 28
Atom CA of residue 6
Atom CA of residue 17
Atom N of residue 98
Atom CA of residue 313
Atom NZ of residue 445
Atom O of residue 2
Atom CA of residue 212
TYR
GLN
LEU
Atom CB of residue 26
GLU
Atom O of residue 97
ASP
Atom N of residue 577
Atom O of residue 65
TYR
GLY
Atom CB of residue 151
Atom CA of residue 191
Atom CA of residue 55
Atom CA of residue 476
Atom CA of residue 2642
Atom CA of residue 2655
Atom CG2 of residue 87
Atom NH2 of residue 27
LEU
Atom CA of residue 517
Atom CA of residue 534
Atom CA of residue 12
Atom CA of residue 132
HIS
MET
ALA
Atom CA of residue 110
VAL
Atom N of residue 111
Atom CG2 of residue 125
TYR
Atom CA of residue 16
GLY
Atom CA of residue 99
ALA
Atom CA of residue 84
Atom CA of residue 72
Atom CD of residue 74
PRO
ASP
THR
Atom C of residue 546
Atom CA of residue 470
Atom CA of residue 77
Atom CB of residue 561
Atom CA of residue 69
LEU
Atom CA of residue 58
LEU
Atom CA of residue 519
Atom C of residue 10
TYR
GLU
Atom CA of residue 81
Atom CA of residue 28
PRO
Atom CA of residue 197
Atom CA of residue 257
Atom CA of residue 563
Atom CA of residue 565
Atom C of residue 102
Atom N of residue 11
MET
Atom CG of residue 86
Atom N of residue 3
VAL
LEU
Atom C of residue 497
CoarseCC7
PRO
Atom CA of residue 154
Atom CD2 of residue 522
GLU
Atom CG of residue 571
Atom CA of residue 77
Atom CA of residue 136
Atom N of residue 80
Atom CE of residue 110
GLY
Atom CA of residue 2656
ASN
TYR
GLY
Atom CA of residue 154
Atom OH of residue 585
Atom CA of residue 34
Atom CA of residue 122
Atom CG of residue 121
Atom CA of residue 492
GLU
CYS
Atom CA of residue 525
Atom O of residue 13
Atom CA of residue 2649
Model 35
HIS
ILE
Chain A
Atom CA of residue 29
Atom C of residue 463
ALA
Atom CA of residue 496
Atom CA of residue 56
Atom CA of residue 2683
Atom CA of residue 64
Atom CA of residue 556
ARG
Atom OG of residue 95
LYS
PRO
Atom OE2 of residue 526
Atom CA of residue 550
LEU
PRO
PRO
Atom CA of residue 246
Atom CA of residue 2648
Atom CG of residue 446
ARG
Atom CA of residue 77
GLN
Atom CA of residue 3
Atom CA of residue 266
LEU
Atom CA of residue 484
GLN
SER
Atom CA of residue 129
SER
GLY
ALA
GLN
Atom CA of residue 63
ARG
Atom CA of residue 8
Atom N of residue 446
GLY
ASN
Atom CD1 of residue 125
Atom CA of residue 11
Atom N of residue 27
ALA
Atom CD of residue 571
P2
Atom CA of residue 518
ILE
Atom CA of residue 69
Atom CA of residue 347
Atom CG of residue 151
LEU
Atom N of residue 88
Atom C of residue 543
ARG
Atom O of residue 102
ARG
Atom CA of residue 545
THR
LYS
Atom CA of residue 52
Atom CA of residue 2629
PRO
Atom O of residue 440
GLU
VAL
GLN
THR
Atom CA of residue 33
Atom CA of residue 2679
VAL
HIS
Atom CA of residue 62
ASN
Atom CA of residue 165
GLU
Atom CA of residue 145
VAL
VAL
LEU
Atom C of residue 7
GLU
LYS
Atom CA of residue 145
Atom CA of residue 20
Atom CA of residue 92
ASN
Atom CA of residue 497
PRO
Atom CA of residue 144
ALA
Atom C of residue 97
Atom CA of residue 118
Atom CG of residue 581
Atom CA of residue 82
Atom CA of residue 119
Atom CA of residue 23
PRO
PRO
GLN
Atom CA of residue 69
Model 15
Atom OD1 of residue 121
python stream
Atom C of residue 465
Atom CA of residue 474
Atom CA of residue 126
SER
TYR
VAL
Atom N of residue 523
Atom N of residue 28
Atom CA of residue 559
LEU
GLY
PHE
GLU
ILE
Atom C of residue 67
THR
Atom CA of residue 2643
Atom CA of residue 129
Atom C of residue 565
ASP
MET
ALA
GLN
Atom N of residue 75
ILE
Atom N of residue 586
GLU
Atom C of residue 90
Atom CA of residue 72
Atom CA of residue 31
Atom OG of residue 89
Atom CA of residue 26
Atom N of residue 527
Atom CA of residue 162
Atom C of residue 61
ASN
Atom CA of residue 127
LYS
Atom CZ2 of residue 16
GLY
GLN
SER
Atom CE1 of residue 87
Atom O of residue 463
Atom CA of residue 467
Atom CA of residue 74
Atom CA of residue 118
Atom CA of residue 543
Atom CA of residue 348
Atom OG1 of residue 436
HIS
ASP
Atom CA of residue 145
LYS
Atom CD of residue 475
Atom CA of residue 266
GLU
Atom OE1 of residue 571
THR
P0
Atom CA of residue 137
Atom NZ of residue 110
PHE
THR
Atom CG of residue 25
ALA
GLY
Atom N of residue 562
PRO
Atom CB of residue 132
Atom OG1 of residue 7
Atom NH2 of residue 114
Atom CA of residue 115
GLN
PRO
Atom CB of residue 4
Atom CA of residue 509
Atom CA of residue 198
Atom CA of residue 74
ALA
Atom CA of residue 98
Atom CA of residue 40
Atom CA of residue 107
GLU
1tdx.pdb
LYS
Atom O of residue 546
Atom O of residue 565
LEU
LYS
Atom O of residue 10
Atom CA of residue 85
Atom O of residue 465
ASN
Atom C of residue 144
THR
Atom CA of residue 551
LYS
Atom C of residue 11
Atom CB of residue 28
Atom CA of residue 45
ASP
Atom CA of residue 155
Atom CA of residue 577
Atom CA of residue 73
Atom CA of residue 111
GLU
Atom CD1 of residue 581
ASN
Atom CA of residue 7
Atom CA of residue 214
Atom CA of residue 99
Atom N of residue 16
Atom CA of residue 127
LEU
LYS
Atom CA of residue 47
Atom CA of residue 20
Atom CA of residue 520
Atom CA of residue 431
Atom CA of residue 549
GLU
Chain D
Atom CB of residue 440
Atom CA of residue 511
Atom CA of residue 56
Atom CA of residue 44
Atom CA of residue 564
Atom CA of residue 112
Atom CA of residue 476
TYR
Fit restraint internal rb map
PHE
Atom CA of residue 192
Atom CA of residue 67
GLU
Atom CD of residue 25
Atom CA of residue 130
Atom CA of residue 54
Atom CG1 of residue 132
LYS
Atom C of residue 132
GLU
Model 31
Atom O of residue 497
Atom N of residue 90
Atom CA of residue 526
Atom CA of residue 547
PRO
Atom CA of residue 260
Atom CA of residue 447
Atom CA of residue 51
Atom CA of residue 546
Atom C of residue 127
Atom CA of residue 78
Atom CA of residue 63
Atom CD1 of residue 86
PRO
Atom CA of residue 258
LYS
THR
Atom CA of residue 101
Atom CA of residue 65
Atom CG2 of residue 436
Atom CA of residue 557
PRO
Atom O of residue 114
PRO
Atom CA of residue 94
Atom CA of residue 93
PRO
GLU
Atom C of residue 474
Atom CA of residue 33
Atom CA of residue 493
LEU
Atom OE2 of residue 571
Atom CA of residue 518
Atom CA of residue 535
PHE
MET
Atom CA of residue 50
Atom CA of residue 89
TYR
Atom NH1 of residue 13
GLU
Atom C of residue 115
HIS
Atom CA of residue 521
Atom CA of residue 146
GLU
Atom CE of residue 475
Atom C of residue 72
GLY
LEU
Atom CA of residue 565
Atom CA of residue 85
ALA
Atom CB of residue 102
ASP
Atom C of residue 98
Atom N of residue 96
Atom CA of residue 2688
Atom C of residue 107
LYS
Atom O of residue 132
Atom CA of residue 53
Atom CA of residue 32
Atom CA of residue 62
TYR
Atom CA of residue 477
Atom CA of residue 163
Atom CA of residue 105
Atom CB of residue 127
ASP
LEU
Atom CA of residue 88
Atom CA of residue 155
VAL
PHE
Atom CA of residue 39
ILE
Atom CA of residue 64
MapReaderWriter5
GLY
Atom CA of residue 30
Atom CA of residue 2629
Atom CA of residue 527
ARG
Atom CA of residue 102
GLU
Atom CG of residue 28
Atom CA of residue 123
LEU
Atom CA of residue 493
Atom CA of residue 16
Atom N of residue 26
Atom CA of residue 2684
Atom CB of residue 114
Atom CA of residue 30
Atom CB of residue 10
Atom CA of residue 80
Atom CA of residue 119
LYS
Atom CA of residue 88
Atom N of residue 111
Atom CD of residue 151
Atom CA of residue 57
PHE
Atom CA of residue 57
Atom CA of residue 125
ASP
TYR
Atom CA of residue 11
VAL
VAL
Atom CA of residue 267
GLY
GLU
ASP
Atom O of residue 543
Atom CA of residue 55
Atom CA of residue 51
Atom CG of residue 65
ASP
Atom CB of residue 465
PRO
Atom CA of residue 59
Atom C of residue 111
GLY
Atom CA of residue 2648
ALA
Atom CB of residue 463
ASN
PRO
Atom CA of residue 73
VAL
Atom CA of residue 156
Atom CD2 of residue 86
SER
Atom CA of residue 348
Atom C of residue 88
Atom O of residue 144
Atom CB of residue 546
Atom CA of residue 75
Atom C of residue 33
Atom O of residue 11
ARG
LYS
Atom CA of residue 78
Atom C of residue 22
Atom CA of residue 78
MET
GLN
SampledDensityMap83
Atom CA of residue 83
Atom N of residue 126
ALA
THR
LEU
Atom CA of residue 2680
Atom CA of residue 28
Atom CA of residue 436
LEU
Atom CA of residue 68
ILE
Atom CA of residue 546
LEU
Atom ND2 of residue 121
Atom CA of residue 166
Atom C of residue 16
Atom NH2 of residue 13
GLY
LEU
Atom CA of residue 2649
LYS
LYS
GLN
GLU
Atom CA of residue 120
mol0 rigid body
Atom CA of residue 2638
Atom O of residue 72
LEU
Atom CB of residue 497
GLY
LEU
GLU
SER
Atom C of residue 493
Atom CA of residue 552
GLU
VAL
PRO
ALA
Atom CA of residue 69
Atom O of residue 127
Atom CA of residue 314
LYS
Atom CA of residue 64
Atom CA of residue 2632
GLU
SER
Atom CA of residue 349
Atom N of residue 437
Atom C of residue 577
VAL
GLY
Atom O of residue 107
Atom CA of residue 19
Atom CA of residue 2644
Atom CA of residue 497
Atom CA of residue 70
Atom CA of residue 74
Atom CA of residue 446
Atom O of residue 474
SER
GLU
LEU
Atom CA of residue 27
Atom CA of residue 432
Atom CD of residue 65
Atom CA of residue 39
HIS
Atom CB of residue 484
Atom OE1 of residue 151
Atom CA of residue 130
Atom CB of residue 565
Atom CA of residue 269
THR
PRO
Atom CA of residue 132
Atom CA of residue 69
Atom CA of residue 112
ASN
created density map
PHE
Atom CA of residue 119
MET
Atom C of residue 74
Atom CA of residue 94
GLN
Atom CA of residue 146
Atom CA of residue 267
Atom CA of residue 555
GLN
Atom CA of residue 88
Atom CA of residue 562
Atom OG of residue 568
Atom CD of residue 28
Atom CG of residue 102
Atom N of residue 6
Atom CA of residue 547
LEU
Atom O of residue 115
Atom CA of residue 76
VAL
PHE
GLY
Atom CG of residue 440
Atom CA of residue 215
THR
Atom CA of residue 43
VAL
Atom CA of residue 18
Atom C of residue 45
Atom C of residue 80
Atom CD2 of residue 581
Atom C of residue 99
Atom O of residue 67
GLN
LYS
Atom OG1 of residue 463
LEU
SER
THR
Atom C of residue 11
Atom CA of residue 12
TRP
Atom N of residue 122
MET
Atom CA of residue 51
Atom CA of residue 27
GLN
Atom CA of residue 523
Atom O of residue 98
MET
Atom CA of residue 31
Atom CA of residue 492
LEU
Atom O of residue 3
Atom CA of residue 84
ILE
LYS
Atom CA of residue 131
PRO
Atom C of residue 68
Atom CA of residue 134
ARG
Atom CA of residue 586
Atom CA of residue 2689
ARG
ASP
ASP
Atom CA of residue 560
LEU
PHE
LEU
Atom CA of residue 103
ALA
LYS
THR
Atom CA of residue 97
Atom CB of residue 107
Atom C of residue 78
Atom CA of residue 63
Atom CA of residue 478
LEU
Atom CA of residue 140
PRO
ALA
Atom CA of residue 106
Atom CA of residue 132
SER
Atom N of residue 97
SER
ASN
Atom CA of residue 164
Atom CA of residue 519
Atom CA of residue 458
Atom O of residue 33
Atom O of residue 74
THR
Atom CA of residue 151
Atom O of residue 577
Atom CA of residue 477
Atom O of residue 111
Atom O of residue 88
Atom CA of residue 90
Atom CA of residue 76
Atom CA of residue 56
ARG
Atom CG of residue 114
GLU
GLU
Atom CA of residue 96
Atom CG of residue 10
VAL
Atom NZ of residue 475
Atom CA of residue 510
Atom CB of residue 144
Atom CA of residue 527
Atom C of residue 527
THR
Atom CB of residue 11
LEU
Atom O of residue 45
Atom CA of residue 448
Atom CA of residue 52
Atom CA of residue 80
Atom CB of residue 132
Atom CA of residue 6
PRO
Atom CA of residue 193
Atom O of residue 99
ALA
Atom CA of residue 128
Atom CA of residue 26
Atom C of residue 28
Atom C of residue 562
Atom CA of residue 66
Atom CA of residue 558
GLY
LYS
Atom CA of residue 95
Atom C of residue 446
Atom CA of residue 86
Atom CD1 of residue 440
Atom CG of residue 465
Atom CB of residue 474
Atom CB of residue 72
Atom CA of residue 90
Atom CA of residue 199
Atom C of residue 27
PHE
Atom O of residue 22
Atom CA of residue 113
Atom N of residue 582
Atom CA of residue 87
Atom CG1 of residue 546
ASN
PHE
ASP
Atom CA of residue 48
Atom CA of residue 8
Atom CA of residue 512
VAL
LEU
ALA
Atom CG of residue 570
Atom OD2 of residue 102
Atom CG1 of residue 97
GLU
GLN
Atom CE of residue 65
Atom O of residue 78
Atom NE2 of residue 151
LYS
GLN
Atom O of residue 16
PRO
Atom CA of residue 259
Atom CG of residue 565
Atom C of residue 88
Atom CB of residue 543
Atom CA of residue 437
Atom O of residue 68
Atom CA of residue 102
Atom CA of residue 54
Atom CA of residue 550
THR
Atom CA of residue 58
Atom CG of residue 497
CYS
Atom CA of residue 34
Atom CG of residue 527
Atom CA of residue 548
MET
LEU
ARG
PRO
ASN
GLY
Atom CD of residue 481
Atom CA of residue 156
Atom C of residue 26
Atom CA of residue 78
LYS
Atom SD of residue 39
ARG
Atom CA of residue 103
HIS
Atom C of residue 523
SER
Atom CA of residue 2685
Atom CA of residue 65
Atom CA of residue 536
Atom CA of residue 30
ASP
VAL
Atom N of residue 87
Atom C of residue 126
Atom CA of residue 29
Atom CA of residue 498
Atom CA of residue 245
Atom CB of residue 115
Atom SD of residue 10
Atom C of residue 586
GLU
Atom CA of residue 268
Atom CA of residue 3
Atom O of residue 493
GLN
Atom CA of residue 2657
Atom CB of residue 33
Atom CA of residue 519
Atom N of residue 29
GLN
Atom CA of residue 77
GLN
ASP
VAL
Atom CB of residue 67
Atom CB of residue 16
PRO
Atom CA of residue 24
Atom O of residue 28
Atom CA of residue 135
Atom N of residue 476
Atom OD1 of residue 465
Atom CA of residue 349
PHE
Atom CA of residue 4
Atom CA of residue 25
Atom CA of residue 71
Atom CA of residue 348
PRO
Atom CB of residue 98
GLU
Atom CA of residue 81
TYR
Atom CA of residue 213
Atom O of residue 26
Atom CG2 of residue 546
LYS
Atom CA of residue 141
Atom CA of residue 79
Atom CA of residue 79
SER
Atom N of residue 133
Atom N of residue 73
Atom CA of residue 167
ILE
ASN
TYR
Atom CA of residue 165
Atom CA of residue 459
Atom CB of residue 74
Atom CB of residue 97
ARG
Atom CB of residue 22
Atom CA of residue 152
TYR
Atom CB of residue 111
Atom N of residue 89
Atom CA of residue 57
ARG
Atom CA of residue 437
Atom CA of residue 315
THR
Atom CA of residue 201
TYR
VAL
Atom CA of residue 77
Atom C of residue 90
ARG
ILE
SER
Atom CA of residue 40
Atom CA of residue 17
ALA
Atom CB of residue 45
Atom CA of residue 124
THR
Atom CA of residue 494
Atom CB of residue 99
Atom CA of residue 87
Atom CA of residue 147
Atom CG of residue 16
Atom CA of residue 200
Atom CG of residue 11
Atom CD of residue 114
LYS
Atom CA of residue 2640
Atom CD2 of residue 440
Atom CA of residue 111
Atom CA of residue 59
PHE
Atom CG2 of residue 463
MapReaderWriter4
Atom CA of residue 58
Atom CA of residue 2681
Atom CA of residue 561
Atom CA of residue 564
Atom CA of residue 104
Atom O of residue 11
Atom CA of residue 22
LEU
Atom CA of residue 75
GLN
ILE
Atom O of residue 27
ASP
Atom CA of residue 103
Atom CB of residue 577
Atom CA of residue 433
Atom CE of residue 39
ILE
Atom CD1 of residue 497
Atom CA of residue 2645
Atom CA of residue 520
GLN
GLN
HIS
ALA
ARG
Atom C of residue 96
Atom CA of residue 547
Atom CA of residue 43
Atom CB of residue 78
THR
Atom CA of residue 2633
LEU
Atom CA of residue 268
Atom CG of residue 144
ALA
Atom CG of residue 543
Atom CA of residue 350
SER
LEU
Atom C of residue 8
Atom CA of residue 85
Atom N of residue 152
PRO
VAL
TRP
Atom O of residue 88
PHE
THR
TYR
Atom CA of residue 70
Atom CA of residue 548
Atom O of residue 446
Atom CA of residue 109
THR
Atom CB of residue 26
Atom N of residue 69
LYS
GLY
LYS
LYS
LEU
Atom CG2 of residue 97
Atom CA of residue 52
Atom CA of residue 44
ASP
ASP
Atom CA of residue 129
Atom C of residue 24
Atom CA of residue 77
Atom CA of residue 120
Atom CA of residue 114
Atom CA of residue 493
Atom CE of residue 10
Atom CG1 of residue 107
ILE
ASP
ASN
SER
ARG
PRO
LEU
Atom CB of residue 11
Atom CG of residue 127
GLY
SER
Atom CA of residue 2690
Atom CA of residue 122
ILE
Atom CG of residue 474
VAL
LYS
PHE
Atom CD of residue 11
GLU
GLU
Atom CA of residue 551
ASN
Atom CA of residue 78
MET
Atom O of residue 126
Atom CA of residue 64
Atom CA of residue 35
Atom CB of residue 493
MET
PHE
VAL
Atom O of residue 562
Atom CA of residue 107
Atom CA of residue 6
GLU
ILE
Atom N of residue 547
Atom O of residue 523
Atom CB of residue 28
VAL
VAL
Atom CG of residue 115
Atom CA of residue 478
Atom CA of residue 72
Atom NZ of residue 65
Atom CG of residue 67
Atom N of residue 464
Atom CA of residue 553
Atom CD of residue 565
Atom CA of residue 138
ASN
Atom CA of residue 450
Chain A
GLU
Atom CG1 of residue 132
Atom O of residue 586
GLU
Atom CA of residue 28
Atom CD1 of residue 16
Atom CD1 of residue 144
PHE
Atom CA of residue 260
Atom CG of residue 33
ARG
GLU
Atom CA of residue 115
Atom CG of residue 577
Atom CA of residue 92
PRO
Atom CA of residue 202
Atom C of residue 111
LYS
Atom CA of residue 520
LEU
Atom NE of residue 114
Atom CA of residue 78
Atom O of residue 96
Atom CA of residue 87
Atom CA of residue 194
Atom CA of residue 512
Atom CA of residue 462
Atom CB of residue 27
Atom CG of residue 98
Atom CA of residue 113
Atom CA of residue 86
ALA
ALA
Atom CA of residue 100
Atom CA of residue 13
Atom N of residue 494
Atom OD1 of residue 127
Atom CA of residue 49
GLN
Atom CB of residue 446
Atom CE1 of residue 440
LEU
Atom CG of residue 111
mol0
Atom CA of residue 513
ALA
VAL
Atom CA of residue 30
LEU
SER
Atom CA of residue 15
Atom N of residue 75
Atom CA of residue 36
Atom CA of residue 95
Atom CA of residue 582
Atom O of residue 527
CYS
Atom CB of residue 88
Atom N of residue 98
Atom CA of residue 582
TYR
Atom CA of residue 522
Atom CD1 of residue 474
Atom CA of residue 528
Atom CA of residue 397
Atom CA of residue 166
Atom CA of residue 566
Atom CA of residue 549
Atom CA of residue 79
ALA
Atom CG1 of residue 45
TRP
Atom CA of residue 43
Atom CG2 of residue 107
Atom O of residue 8
Atom CA of residue 447
Atom CG of residue 99
ARG
Atom CA of residue 480
Atom CD1 of residue 570
Atom CA of residue 2686
Atom CA of residue 67
Atom CA of residue 559
ARG
Atom CA of residue 125
LEU
Atom CA of residue 110
Atom CA of residue 495
Atom CA of residue 56
VAL
Atom OD2 of residue 465
ASP
Atom CA of residue 104
MET
ASP
Atom CA of residue 537
Atom CA of residue 449
Atom CA of residue 22
Atom CD of residue 115
Atom CA of residue 77
ALA
SER
Atom CA of residue 76
Atom CA of residue 269
VAL
CYS
Atom CA of residue 499
Atom CA of residue 59
Atom CA of residue 2658
Atom CA of residue 96
Atom C of residue 122
THR
Chain B
LEU
GLY
Atom CB of residue 523
Atom CD of residue 33
Atom CA of residue 2682
ALA
MET
Atom N of residue 103
ARG
Atom CG of residue 78
Atom CA of residue 350
Atom CA of residue 3
TYR
Atom CA of residue 349
Atom C of residue 437
LYS
Atom CA of residue 98
Atom CG of residue 11
Atom N of residue 11
Atom CB of residue 586
Atom CA of residue 55
LEU
PRO
PHE
SER
Atom CA of residue 69
Atom ND1 of residue 98
SER
Atom CA of residue 139
HIS
Atom O of residue 111
Atom CA of residue 89
Atom CA of residue 168
Atom OD1 of residue 67
Atom CB of residue 126
LYS
Atom CG of residue 26
Atom CB of residue 562
Atom CA of residue 103
Atom CA of residue 80
GLU
Atom CA of residue 60
Atom CD2 of residue 497
SER
THR
PHE
ASN
ASN
VAL
Atom CA of residue 264
Atom CA of residue 452
VAL
Atom CA of residue 316
ASP
PHE
LEU
Atom N of residue 66
Atom CA of residue 157
Atom O of residue 23
Atom CE of residue 565
Atom CA of residue 139
Atom OD1 of residue 543
Atom OE1 of residue 11
Atom CA of residue 28
Atom CA of residue 67
Atom N of residue 40
Atom CA of residue 277
PHE
PRO
Atom CA of residue 3
Atom CE2 of residue 440
Atom CA of residue 7
PHE
ILE
Atom CD2 of residue 144
Atom CA of residue 2683
Atom CA of residue 351
Atom CA of residue 29
GLY
Atom CG2 of residue 45
GLN
Atom CA of residue 87
Atom CA of residue 45
Atom CD of residue 99
Atom CD2 of residue 16
Atom CA of residue 121
VAL
Atom CD2 of residue 570
Atom CA of residue 439
GLU
GLU
Atom CA of residue 121
ALA
Atom CA of residue 94
Atom N of residue 466
Atom CD of residue 111
LEU
Atom CB of residue 527
Atom CA of residue 562
Atom CA of residue 105
GLN
MET
THR
Atom C of residue 582
Atom CA of residue 101
CYS
Atom CA of residue 148
Atom CD1 of residue 26
Atom N of residue 29
Atom O of residue 437
Atom CZ of residue 114
Atom OD2 of residue 127
Atom CA of residue 434
GLY
LEU
PRO
ASN
Atom CA of residue 476
Atom CA of residue 73
LEU
Atom CA of residue 269
LYS
LYS
VAL
Atom CA of residue 521
ASP
Atom CA of residue 87
GLU
Atom CA of residue 37
MET
CYS
Atom O of residue 13
Atom CG2 of residue 132
Atom CA of residue 548
ASP
HIS
LEU
Atom CD of residue 78
Atom C of residue 447
Atom CA of residue 554
GLN
THR
LEU
Atom CA of residue 80
Atom CD2 of residue 474
PHE
Atom CA of residue 53
Atom CA of residue 167
ARG
Atom O of residue 4
ILE
GLY
GLY
Atom CB of residue 96
LEU
THR
LEU
ILE
Atom CE1 of residue 16
PRO
Atom CA of residue 512
PHE
Atom CA of residue 122
Atom N of residue 571
TRP
ARG
Atom CA of residue 35
TYR
Atom CA of residue 11
GLN
Atom CA of residue 116
Atom CA of residue 465
LEU
Atom CA of residue 451
Atom CA of residue 140
Atom CA of residue 78
Atom CA of residue 76
Atom CA of residue 70
PHE
LYS
PRO
GLY
Atom CA of residue 21
ASP
Atom NE of residue 115
Atom CD of residue 577
GLY
ILE
Atom CA of residue 2631
Atom CA of residue 61
Atom N of residue 498
Chain A
Atom CA of residue 91
Atom CA of residue 37
PHE
SER
TYR
Atom NE of residue 33
LYS
ILE
Atom C of residue 69
Atom CA of residue 477
Atom CA of residue 96
ARG
ILE
Atom CA of residue 9
MET
Atom CG1 of residue 27
Model 28
LEU
ASN
Atom CA of residue 552
Atom CA of residue 2639
ALA
LYS
Atom CB of residue 4
Atom CD2 of residue 98
Atom CA of residue 549
VAL
LYS
Atom CD2 of residue 446
Atom OE1 of residue 111
Atom CE2 of residue 16
Atom CD2 of residue 26
Atom CA of residue 547
Atom CA of residue 26
ARG
Atom CG of residue 562
Atom CA of residue 42
PRO
Atom CA of residue 23
Atom CB of residue 111
Atom CA of residue 87
Atom CA of residue 152
Atom CA of residue 195
THR
Atom CA of residue 398
ASP
Atom CG of residue 88
GLU
Atom C of residue 29
Atom CD of residue 11
ASN
Atom C of residue 87
Atom CA of residue 53
Atom CA of residue 14
Atom ND2 of residue 543
LEU
LEU
ALA
Atom CA of residue 97
Atom CA of residue 73
ARG
VAL
Atom CA of residue 579
Atom CA of residue 521
Atom CB of residue 13
Atom CA of residue 2691
Atom CA of residue 114
Atom CA of residue 3
ARG
Atom O of residue 447
ASN
Atom N of residue 572
Atom CA of residue 140
Atom CA of residue 479
Atom CA of residue 494
Atom CD1 of residue 107
Atom C of residue 476
PRO
Atom C of residue 73
Atom CA of residue 76
ASN
Atom CA of residue 65
Atom CA of residue 528
GLN
AccumulateRigidBodyDerivatives17
ASN
Atom CA of residue 108
Atom CG1 of residue 96
GLN
ALA
ASN
Atom N of residue 447
Atom O of residue 122
Atom CZ of residue 16
ALA
Atom CA of residue 261
Atom CG of residue 523
ALA
Atom CA of residue 104
Atom CB of residue 437
HIS
Atom CA of residue 45
Atom CA of residue 523
Atom CA of residue 329
TYR
Atom CA of residue 494
Atom CA of residue 567
Atom CA of residue 2647
Atom CA of residue 135
Atom NZ of residue 565
Atom CA of residue 101
Atom N of residue 587
Atom CA of residue 89
Atom CA of residue 31
Atom CA of residue 529
Atom CA of residue 20
Atom NE2 of residue 11
Atom CG2 of residue 27
Atom CA of residue 2687
Atom CA of residue 3
Atom NE of residue 577
PRO
Atom OD2 of residue 67
Atom CG of residue 126
VAL
Atom CA of residue 481
Atom CA of residue 464
ALA
Atom CA of residue 244
Atom CA of residue 560
Atom O of residue 11
Atom NH1 of residue 114
LEU
Atom CD1 of residue 132
GLU
Atom CA of residue 126
THR
Atom CA of residue 496
Atom CA of residue 270
Atom N of residue 475
Atom CA of residue 8
Atom CE1 of residue 144
THR
Atom N of residue 27
Atom CA of residue 17
SER
PRO
Atom N of residue 432
PRO
ASP
HIS
Atom CA of residue 60
Atom OD1 of residue 88
HIS
Atom C of residue 103
Atom OE1 of residue 11
GLY
Atom CA of residue 351
SER
Atom CA of residue 80
Atom CA of residue 75
Atom CA of residue 350
Atom CA of residue 44
Atom CZ of residue 115
ILE
THR
ALA
Atom CG of residue 111
Atom CA of residue 88
ILE
Atom C of residue 498
Atom CA of residue 2648
THR
LYS
Atom O of residue 29
ASP
Atom CA of residue 50
Atom CA of residue 56
LEU
Atom CB of residue 122
Atom O of residue 87
SER
Atom CZ of residue 440
Atom CA of residue 169
VAL
Atom CA of residue 514
Atom CA of residue 511
Atom CA of residue 31
Atom C of residue 547
Atom CZ of residue 33
GLU
PHE
Atom N of residue 46
GLU
Atom CA of residue 81
VAL
VAL
Atom N of residue 108
Atom O of residue 582
Atom C of residue 152
Atom OE1 of residue 99
Atom CA of residue 143
Atom CA of residue 2659
Atom CA of residue 2
ALA
Atom N of residue 128
Atom CA of residue 317
Atom CA of residue 53
Atom CA of residue 66
GLU
LEU
Atom CB of residue 20
Atom CA of residue 168
Atom C of residue 14
GLY
Atom CA of residue 550
Atom CD1 of residue 523
VAL
Atom CA of residue 29
SER
Atom CA of residue 7
VAL
Atom CA of residue 77
Atom C of residue 496
Atom CA of residue 500
Atom O of residue 103
VAL
ASP
LEU
Atom CA of residue 105
Atom CA of residue 538
ASN
ILE
VAL
Atom CA of residue 46
Atom CA of residue 28
Atom OE1 of residue 78
Atom CA of residue 122
PRO
Atom NE2 of residue 111
LEU
Atom CA of residue 2646
THR
Atom CA of residue 18
LYS
Atom O of residue 90
Atom CE2 of residue 144
Atom O of residue 547
ALA
Atom CA of residue 572
Atom CA of residue 24
LEU
Atom N of residue 68
Atom CA of residue 270
Atom OD1 of residue 527
ASN
Atom CD1 of residue 562
Atom CA of residue 440
Atom CA of residue 11
GLY
Atom O of residue 476
Atom CA of residue 466
LYS
ILE
VAL
VAL
LEU
Atom CA of residue 352
Atom O of residue 69
Atom CE1 of residue 98
Atom CA of residue 136
PRO
Atom CB of residue 582
Atom CA of residue 330
MET
Atom CD of residue 126
ARG
Atom N of residue 566
Atom CA of residue 130
Atom N of residue 544
Atom CA of residue 25
Atom CA of residue 21
LEU
Atom C of residue 98
Atom NE2 of residue 11
SER
Atom CA of residue 81
Atom CA of residue 435
THR
PRO
Atom N of residue 441
SER
Atom CA of residue 62
THR
LYS
Atom N of residue 12
Atom N of residue 28
ARG
ALA
ALA
PRO
Atom CB of residue 447
Atom OE2 of residue 99
Atom CA of residue 149
Atom CA of residue 433
CYS
ARG
ARG
GLU
Atom CA of residue 70
SER
Atom O of residue 73
Atom CA of residue 42
HIS
TYR
Atom NH1 of residue 33
Atom C of residue 75
Atom CA of residue 563
LYS
Atom CA of residue 27
PHE
Atom CA of residue 106
ALA
Atom CA of residue 40
Atom CA of residue 495
Atom CA of residue 77
Atom O of residue 152
ASN
Chain B
Atom OD2 of residue 88
Atom CG of residue 437
Atom CA of residue 82
Atom CA of residue 9
Atom C of residue 41
GLY
GLY
PHE
Atom CA of residue 31
THR
ALA
PRO
Atom CA of residue 522
Atom CA of residue 88
GLY
PRO
Atom CA of residue 478
Atom N of residue 13
Atom NH1 of residue 115
ILE
Atom CA of residue 477
Atom OE2 of residue 78
ALA
Atom CA of residue 102
GLN
Atom N of residue 112
Atom CA of residue 511
GLU
Atom CA of residue 27
VAL
Atom CA of residue 259
LEU
Atom C of residue 66
Atom CA of residue 11
Atom CG of residue 122
Atom CA of residue 274
MET
Atom CA of residue 117
Atom C of residue 572
Atom CB of residue 29
Atom CA of residue 23
Atom CA of residue 550
Atom CG2 of residue 96
Atom CA of residue 549
PRO
Atom CB of residue 87
Atom CA of residue 498
Atom OH of residue 16
Atom CA of residue 18
LYS
ConjugateGradients
Atom C of residue 11
PRO
SER
Atom CA of residue 169
Atom C of residue 494
LEU
Atom CA of residue 262
Atom CD2 of residue 523
Atom CB of residue 69
Atom NE2 of residue 98
VAL
GLU
Atom CA of residue 90
SER
ALA
Atom CD1 of residue 437
GLY
GLY
Atom CA of residue 587
Atom CA of residue 432
Atom CA of residue 196
Atom CA of residue 66
SER
Atom CA of residue 2692
GLU
LYS
Atom C of residue 27
Atom CA of residue 81
Atom CA of residue 41
ILE
Atom CA of residue 116
Atom CA of residue 51
Atom CZ of residue 577
Atom C of residue 11
Atom CB of residue 66
Atom CA of residue 553
Atom CB of residue 476
Atom C of residue 466
GLU
Atom CA of residue 63
Atom CA of residue 515
Atom N of residue 91
Atom CA of residue 66
Atom CZ of residue 144
Atom C of residue 464
Atom CA of residue 399
LEU
GLU
Atom CA of residue 109
TYR
PRO
Atom CG of residue 447
Atom C of residue 68
Atom N of residue 17
Atom OD2 of residue 527
Atom CD2 of residue 562
PRO
Atom CA of residue 105
Atom CA of residue 128
LEU
GLY
SampledDensityMap10
Atom CB of residue 73
Atom CA of residue 479
LEU
Atom CA of residue 2660
Atom CA of residue 551
PRO
Atom O of residue 75
Atom CA of residue 2688
PRO
LYS
LEU
Atom CA of residue 137
Atom CA of residue 115
Atom CG of residue 582
Atom CA of residue 331
ALA
Atom CA of residue 70
Atom CA of residue 32
Atom CA of residue 21
Atom N of residue 14
HIS
Atom C of residue 29
Atom CA of residue 435
Atom CA of residue 480
Atom CA of residue 108
PRO
Atom CD of residue 111
Atom CA of residue 271
Atom CA of residue 89
GLU
Atom CA of residue 106
VAL
Atom CA of residue 522
VAL
Atom CA of residue 46
Atom CA of residue 539
HIS
ASP
PRO
Atom CA of residue 54
Atom N of residue 100
Atom CA of residue 82
LYS
PRO
Atom CA of residue 524
Atom CA of residue 71
PHE
Atom CA of residue 352
GLY
LEU
ASN
Atom CA of residue 53
Atom CA of residue 36
Atom O of residue 494
Atom CA of residue 568
LEU
ILE
Atom OG1 of residue 29
Atom CA of residue 351
SER
SER
Atom CD1 of residue 96
Atom CA of residue 78
LEU
Atom CB of residue 449
Atom OG1 of residue 87
Atom O of residue 4
GLU
Atom O of residue 98
Atom CA of residue 54
Atom CA of residue 4
Atom CB of residue 152
LEU
Atom CA of residue 170
Atom CA of residue 2661
Atom N of residue 89
LYS
Atom CZ of residue 17
TYR
GLY
THR
Atom N of residue 79
ARG
SER
Atom O of residue 27
Atom CB of residue 547
Atom CA of residue 544
Atom CE1 of residue 562
TYR
Atom CD2 of residue 437
Atom CA of residue 142
Atom CA of residue 82
Atom CA of residue 318
Atom CA of residue 82
Atom CA of residue 25
ASP
Atom O of residue 66
SER
Atom CA of residue 144
ILE
Atom CA of residue 438
Atom CA of residue 29
Atom CE2 of residue 87
Atom CA of residue 127
Atom CA of residue 497
DensityMap885
ASN
TYR
Atom CA of residue 530
Atom CA of residue 27
ARG
Atom NH1 of residue 577
Atom O of residue 11
Atom CA of residue 43
TRP
Atom OE1 of residue 126
Atom CB of residue 51
ARG
Atom O of residue 464
Atom CA of residue 501
Atom CA of residue 61
GLU
Atom CA of residue 353
Atom CB of residue 103
Atom CA of residue 561
Atom N of residue 99
Atom CA of residue 84
GLY
GLY
MET
Atom CD of residue 122
Atom CA of residue 475
Atom C of residue 17
PHE
Atom N of residue 524
TRP
ASP
PHE
Atom CA of residue 436
Atom C of residue 108
LYS
Atom OE1 of residue 111
PHE
Atom N of residue 17
ILE
Atom CA of residue 551
Atom CA of residue 271
THR
TYR
GLY
Atom CA of residue 2684
Atom O of residue 29
VAL
LYS
GLN
Atom CA of residue 90
Atom CA of residue 277
ILE
Atom CA of residue 128
Atom CA of residue 43
Atom CG1 of residue 494
SER
ALA
Atom NH1 of residue 17
LEU
Atom CA of residue 550
Atom CA of residue 57
Atom C of residue 3
PRO
LYS
Atom NH2 of residue 33
Atom CA of residue 28
LYS
Atom CA of residue 123
ARG
Atom CA of residue 54
Atom CA of residue 153
TYR
Atom CA of residue 29
LEU
Atom C of residue 587
Atom CA of residue 17
Atom CG of residue 449
Atom CA of residue 332
Atom O of residue 441
ARG
ARG
Atom CA of residue 68
Atom CA of residue 71
Atom CA of residue 170
Atom CA of residue 68
Atom CB of residue 75
Atom CA of residue 458
PHE
Atom N of residue 153
Atom CA of residue 118
Atom CA of residue 150
Atom CA of residue 556
ILE
LEU
SER
LEU
Atom N of residue 5
Atom CA of residue 4
Atom O of residue 498
LYS
PHE
Atom CA of residue 564
Atom CA of residue 107
Atom N of residue 115
Atom NH2 of residue 115
ASP
Atom CA of residue 26
Atom CA of residue 133
Atom CA of residue 496
Atom CA of residue 66
Atom CD of residue 582
Atom CA of residue 461
GLY
GLU
GLN
ASP
Atom OG1 of residue 51
Atom CA of residue 123
Atom CA of residue 16
ALA
Atom O of residue 97
Chain C
Atom CA of residue 45
ASP
ALA
Atom CA of residue 523
Atom CA of residue 89
Atom CB of residue 568
ALA
LEU
VAL
Atom CA of residue 85
Atom CA of residue 479
Atom C of residue 128
ASN
Atom CA of residue 478
GLU
Atom NE2 of residue 126
TYR
Atom N of residue 528
Atom CD of residue 103
Atom CB of residue 98
ARG
Atom CA of residue 53
PRO
Atom CA of residue 197
Atom CA of residue 8
PRO
Atom CG1 of residue 476
Atom O of residue 466
Atom CA of residue 36
SER
LYS
LYS
Atom CG of residue 547
LYS
TYR
VAL
Atom CG of residue 69
Atom C of residue 46
Atom CA of residue 31
Atom CA of residue 444
Atom CA of residue 481
PRO
Atom CA of residue 116
ALA
ARG
LYS
ARG
LEU
Atom CE2 of residue 562
PRO
LEU
Atom C of residue 475
Atom OG1 of residue 73
SER
Atom CA of residue 64
Atom N of residue 499
Atom N of residue 34
Atom CD1 of residue 12
Chain C
ASN
Atom C of residue 133
LYS
PRO
Atom CA of residue 67
THR
Atom CD1 of residue 447
Atom OH of residue 144
TRP
MET
Atom CA of residue 525
Atom CB of residue 11
Atom CH2 of residue 41
Atom OE1 of residue 122
Atom CA of residue 32
ALA
Atom CA of residue 569
Atom CA of residue 117
Atom C of residue 116
Atom CA of residue 78
python stream rigid body rigid body positions
Atom NE2 of residue 111
Atom CA of residue 197
CYS
Atom CA of residue 145
Atom CB of residue 27
GLY
Atom O of residue 587
VAL
Atom CA of residue 554
Atom CB of residue 441
Atom CA of residue 15
Atom CA of residue 516
Atom CA of residue 400
Atom CA of residue 263
ASP
Atom C of residue 544
Atom C of residue 31
Atom CG1 of residue 75
Atom CA of residue 117
Atom CA of residue 98
Model 32
LYS
Atom CA of residue 435
Atom CG2 of residue 494
LEU
GLY
Atom CA of residue 2689
TRP
Atom NH2 of residue 17
VAL
Atom CB of residue 466
TYR
Atom CA of residue 34
PHE
Atom CA of residue 531
Atom CA of residue 552
Atom CG2 of residue 29
Atom CA of residue 243
ALA
Atom O of residue 128
Atom CA of residue 32
Atom N of residue 97
Atom O of residue 133
Atom OE1 of residue 582
Atom CG2 of residue 87
Atom CA of residue 462
Atom CA of residue 272
ASN
Atom CA of residue 100
LYS
ALA
Atom CA of residue 33
LYS
Atom CE1 of residue 437
Atom CA of residue 562
MET
Atom CA of residue 55
Atom CA of residue 526
Atom CA of residue 433
Atom O of residue 108
Atom CG2 of residue 476
Atom CA of residue 171
Atom CA of residue 107
Atom CA of residue 570
THR
Atom CA of residue 523
Atom CA of residue 438
Atom CA of residue 540
VAL
Atom CG of residue 9
PHE
Atom CA of residue 2630
TYR
Atom C of residue 84
Atom CA of residue 353
Atom CA of residue 29
Atom CG2 of residue 51
Atom N of residue 145
Atom CG of residue 27
ALA
Atom CA of residue 352
Chain A
Atom ND1 of residue 98
Atom CA of residue 93
Atom N of residue 42
Atom CG2 of residue 73
Atom CA of residue 112
Atom CB of residue 498
Atom CA of residue 38
VAL
LEU
GLU
Atom CD of residue 69
Atom O of residue 46
VAL
Atom N of residue 116
SER
Model 14
Atom CA of residue 2693
Atom CA of residue 79
Atom CD2 of residue 447
Atom CA of residue 171
Atom CA of residue 74
Atom CA of residue 106
Atom NH2 of residue 577
Atom CA of residue 52
Atom CA of residue 58
Atom O of residue 475
Atom CA of residue 65
PRO
Atom CA of residue 67
Atom CB of residue 464
PRO
ARG
Atom CA of residue 110
Atom CA of residue 22
ASN
GLU
Atom CA of residue 319
PRO
LEU
Atom CA of residue 79
LYS
ASP
Atom CA of residue 2631
GLY
PHE
Atom CA of residue 127
Atom CA of residue 42
ASP
Atom CA of residue 17
Atom CA of residue 83
Atom CG of residue 11
Chain C
Atom CA of residue 124
Atom CA of residue 333
Atom CA of residue 2632
Atom O of residue 544
Atom CB of residue 29
Atom CG of residue 103
LEU
Atom CA of residue 468
Atom CA of residue 128
ILE
Atom CA of residue 498
Atom O of residue 17
ALA
Atom CA of residue 21
Atom CB of residue 128
Atom CA of residue 91
Atom CA of residue 62
LEU
Atom N of residue 30
VAL
Atom O of residue 116
Atom CB of residue 133
Atom O of residue 84
Atom N of residue 88
LYS
LYS
GLU
Atom N of residue 495
Chain A
Atom C of residue 28
SER
ASP
ALA
Atom CA of residue 68
Atom O of residue 68
Atom CA of residue 48
Atom CA of residue 272
TYR
CoarseCC5
SER
ALA
Atom CA of residue 2685
Atom CD1 of residue 449
SER
Atom CD of residue 27
ALA
Atom CG of residue 147
Atom CE2 of residue 437
Atom CA of residue 141
Atom CA of residue 99
ALA
Atom CA of residue 125
LEU
Atom N of residue 112
LYS
Atom CA of residue 44
LEU
Atom CA of residue 89
Atom CA of residue 360
Atom CZ of residue 562
Atom CA of residue 439
Atom CA of residue 552
Atom CA of residue 551
LYS
SER
Atom CB of residue 6
GLU
GLU
ASP
Atom CA of residue 145
THR
Atom CG of residue 466
Atom CA of residue 324
GLU
LEU
LYS
SER
Atom CA of residue 33
LEU
ASP
Atom N of residue 127
CYS
Atom CA of residue 557
Atom CD of residue 547
Atom CB of residue 544
Atom CA of residue 17
TYR
PHE
Atom N of residue 578
ASP
ALA
Atom CG of residue 66
Atom N of residue 477
TYR
Atom CE1 of residue 68
LYS
Atom CA of residue 79
VAL
Atom OG of residue 464
Atom CA of residue 502
Atom CB of residue 587
Atom CA of residue 79
Atom CA of residue 33
Atom OE1 of residue 17
ALA
ASP
Atom CA of residue 524
Atom CA of residue 124
Atom O of residue 28
Atom CA of residue 70
Atom CA of residue 28
ALA
GLU
Atom CB of residue 108
Atom N of residue 74
Atom CG of residue 498
Atom CA of residue 76
GLU
Atom CG of residue 29
ALA
PHE
Atom CG of residue 98
Atom N of residue 18
ASN
ALA
Atom CA of residue 469
Atom OE2 of residue 122
Atom N of residue 448
Atom CB of residue 494
GLU
Atom NE of residue 103
GLU
ALA
ALA
Atom CA of residue 2655
Atom CA of residue 459
SER
Atom CA of residue 92
Atom C of residue 112
Atom CA of residue 119
Atom CA of residue 154
Atom CA of residue 35
Atom CD2 of residue 97
PHE
Atom CD2 of residue 449
LEU
Atom CB of residue 475
ILE
LEU
ASP
Atom NE of residue 27
Atom CA of residue 2649
ARG
SER
ASN
Atom CA of residue 334
Atom CA of residue 153
ARG
Atom N of residue 52
Atom CA of residue 264
MET
VAL
THR
Atom CA of residue 29
PHE
Atom CA of residue 198
ASP
Atom CA of residue 46
ASP
Atom C of residue 528
Atom CA of residue 172
PRO
SER
Atom CG2 of residue 75
Atom CB of residue 46
GLU
Atom CA of residue 459
Atom CG of residue 128
Atom CA of residue 479
Atom CA of residue 497
Atom OD1 of residue 66
GLU
Atom CA of residue 140
ILE
Atom CA of residue 5
ARG
MET
ASN
Atom NE of residue 147
LYS
LYS
Atom CG of residue 133
Atom CB of residue 84
VAL
python stream rigid body
ASP
Atom CA of residue 5
Atom CA of residue 76
ILE
Atom CA of residue 15
Atom CA of residue 3
Atom CA of residue 34
Atom CA of residue 565
Atom CZ of residue 103
MET
Atom CA of residue 108
Atom CA of residue 32
Atom C of residue 99
Atom CA of residue 445
Atom NE2 of residue 582
GLN
Atom O of residue 112
Atom C of residue 100
Atom CB of residue 68
Atom CA of residue 49
ALA
Atom CA of residue 68
PHE
Atom C of residue 89
PRO
Atom CA of residue 2
Atom CA of residue 111
Atom N of residue 8
Atom CA of residue 5
Atom OE2 of residue 17
SER
LYS
Atom CA of residue 524
Atom CA of residue 90
Atom CA of residue 2690
Chain B
Atom CA of residue 480
Atom CA of residue 483
ARG
GLU
Atom CA of residue 94
Atom CG1 of residue 587
Atom CA of residue 441
Atom CA of residue 273
Atom CA of residue 532
ASP
Atom C of residue 17
Atom NE of residue 69
Atom CA of residue 118
Atom CA of residue 116
Atom CA of residue 56
Atom C of residue 79
Atom CA of residue 2633
Atom CA of residue 10
Atom CA of residue 146
Atom N of residue 465
Atom CZ of residue 147
Atom CA of residue 563
GLU
Atom CA of residue 32
Atom CA of residue 2638
Atom N of residue 123
Atom CA of residue 172
Atom CA of residue 18
Atom O of residue 528
Atom CA of residue 401
Atom OE1 of residue 547
Atom CA of residue 41
Atom C of residue 524
ASN
Atom CG of residue 544
PRO
Atom CA of residue 353
Atom CD2 of residue 98
Atom CA of residue 18
LEU
Atom CA of residue 36
Atom CB of residue 100
LYS
PRO
Atom N of residue 563
Atom CD of residue 29
Atom CD1 of residue 11
Atom CA of residue 22
SER
Atom CD of residue 466
Atom CG of residue 475
Atom CA of residue 517
Atom CA of residue 39
Atom CB of residue 28
Atom CA of residue 71
Atom N of residue 76
Atom OD1 of residue 6
GLN
VAL
PRO
GLY
THR
Atom CA of residue 448
PRO
LYS
Atom CA of residue 137
Atom CZ of residue 27
Atom CA of residue 83
THR
Atom CA of residue 107
Atom CA of residue 320
Atom CA of residue 59
Atom CA of residue 555
Atom CA of residue 103
ALA
ALA
Atom CA of residue 553
LYS
Atom N of residue 47
MET
TRP
LYS
Atom CA of residue 80
Atom N of residue 583
Atom CA of residue 460
Atom CA of residue 60
Atom C of residue 153
LYS
LYS
Atom N of residue 450
ALA
Atom CA of residue 108
Atom CA of residue 2662
LYS
VAL
Atom CA of residue 541
Atom CE1 of residue 98
PHE
MET
Atom N of residue 98
LEU
PHE
Atom O of residue 79
ASN
Atom CA of residue 335
Atom SD of residue 498
Atom CA of residue 145
THR
Atom CA of residue 503
Atom O of residue 89
Atom CA of residue 361
Atom CA of residue 76
Atom CA of residue 394
GLU
Atom CA of residue 18
Atom CA of residue 42
Atom OG1 of residue 108
Atom C of residue 5
Atom CA of residue 173
Atom C of residue 34
Atom CA of residue 524
Atom CZ of residue 69
PRO
Atom OD2 of residue 6
LYS
Atom OD2 of residue 66
Atom CA of residue 27
Atom CA of residue 132
Atom CA of residue 273
TYR
Atom CA of residue 436
Atom NH1 of residue 27
ARG
Atom CD of residue 133
Atom CB of residue 17
Atom CA of residue 30
Atom CA of residue 88
Atom C of residue 5
Atom CB of residue 112
Atom CA of residue 68
Atom CG of residue 68
Atom CA of residue 35
HIS
Atom CA of residue 84
Atom CD2 of residue 11
Atom CA of residue 563
Atom C of residue 441
ASN
ALA
Atom CA of residue 402
Atom O of residue 524
Atom CA of residue 17
Atom CB of residue 115
Atom CA of residue 440
Atom C of residue 116
GLY
TYR
ASN
LEU
Atom CA of residue 325
Atom C of residue 76
Atom CA of residue 579
LEU
GLY
LEU
Atom CA of residue 477
Atom N of residue 467
GLY
Atom CA of residue 233
Atom CA of residue 558
Atom CA of residue 2686
LEU
ILE
GLN
Atom CA of residue 460
ALA
Atom CA of residue 480
Atom CG of residue 84
Atom CA of residue 2656
Atom CA of residue 129
Atom CA of residue 499
LEU
GLU
Atom CA of residue 120
Atom CA of residue 278
Atom CA of residue 155
Atom CA of residue 138
ASP
VAL
Atom CA of residue 30
ALA
Atom CA of residue 74
ARG
LEU
LYS
ASP
Atom CA of residue 63
Atom CA of residue 566
Atom CA of residue 109
Atom CA of residue 446
ALA
Atom O of residue 5
Atom C of residue 101
Atom NH1 of residue 69
ILE
Atom C of residue 77
LEU
Atom CA of residue 578
LYS
Atom CG2 of residue 108
Atom CA of residue 131
Atom C of residue 127
Atom CA of residue 3
Atom CA of residue 525
LYS
Atom CA of residue 91
MET
LYS
Atom N of residue 60
Atom CA of residue 481
Atom O of residue 116
GLU
Atom CA of residue 552
Atom CA of residue 470
LEU
Atom NE of residue 115
ASN
Atom CA of residue 131
Atom CB of residue 528
THR
Atom NH2 of residue 27
Atom O of residue 99
GLN
Atom CA of residue 112
Atom O of residue 5
Atom CA of residue 45
THR
Atom CA of residue 2650
GLU
Atom NE of residue 29
ALA
Atom CA of residue 45
Atom CA of residue 95
Atom CA of residue 82
THR
Atom C of residue 145
CYS
Atom NE2 of residue 547
Atom CA of residue 125
LYS
PRO
Atom CA of residue 119
ASP
Atom C of residue 42
Atom CA of residue 77
Atom C of residue 9
Atom CA of residue 136
GLU
Atom CG2 of residue 587
Atom CB of residue 79
GLY
ALA
Atom CG1 of residue 112
Atom CE of residue 498
ILE
LEU
Atom CG of residue 28
Atom CG of residue 81
Atom CA of residue 498
PRO
Atom O of residue 31
PHE
Atom CB of residue 89
GLY
Atom CA of residue 35
Atom C of residue 30
VAL
Atom CA of residue 41
Atom CG of residue 115
GLN
Atom CA of residue 134
Atom CD of residue 84
GLY
Atom C of residue 88
ARG
Atom CA of residue 133
ALA
ASP
Atom CA of residue 563
Chain A
/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
GLU
Atom N of residue 134
Atom CA of residue 556
Atom O of residue 153
Atom C of residue 448
GLN
Atom CA of residue 276
Atom CA of residue 69
Atom CA of residue 265
ASN
LEU
Atom CA of residue 2691
ASP
PHE
Atom CA of residue 112
ALA
Atom CG of residue 17
Atom CA of residue 86
Atom CA of residue 120
Atom CE1 of residue 11
Atom CA of residue 141
Atom CA of residue 274
Atom O of residue 127
Atom CA of residue 52
Atom CA of residue 465
LEU
LYS
ILE
LYS
LYS
LYS
Atom CA of residue 45
Atom CD of residue 475
PRO
VAL
Atom CA of residue 32
Atom N of residue 28
Atom CA of residue 104
Atom CB of residue 524
ARG
Atom CA of residue 33
Atom CD of residue 128
Atom CA of residue 118
THR
python stream rigid body rigid body positions
Atom CA of residue 8
ILE
Atom CB of residue 31
TYR
Atom CA of residue 525
Atom CA of residue 354
THR
TYR
Atom CA of residue 83
Atom CZ of residue 115
Atom CA of residue 61
Atom CD1 of residue 68
Atom CA of residue 80
Atom CA of residue 437
Atom CA of residue 174
Atom CA of residue 495
ILE
Atom CA of residue 7
Atom C of residue 578
Atom CA of residue 123
SER
PHE
Atom CZ of residue 29
Atom C of residue 18
Atom C of residue 98
Atom CA of residue 527
PRO
VAL
Atom CA of residue 41
Atom O of residue 145
Atom CA of residue 571
Atom CA of residue 84
Atom O of residue 34
Atom CD of residue 28
Atom CD1 of residue 81
GLN
Atom CA of residue 321
LEU
Atom CA of residue 482
PHE
Atom N of residue 67
Atom N of residue 109
Atom C of residue 112
Atom O of residue 101
LYS
Atom NH1 of residue 103
Atom CA of residue 137
VAL
Atom OXT of residue 587
ILE
Atom CA of residue 111
ILE
Atom CA of residue 450
Atom CA of residue 533
GLU
ASN
ARG
Atom CA of residue 554
UpdateRigidBodyMembers0
Atom CA of residue 76
PRO
SER
LEU
THR
Atom CA of residue 81
ASP
PHE
Atom CA of residue 25
Atom CA of residue 564
Atom CA of residue 71
Atom CA of residue 130
Atom CA of residue 60
Atom CA of residue 500
Atom CB of residue 5
ASP
Atom CA of residue 109
Atom N of residue 548
SER
TYR
Atom ND1 of residue 544
Atom CA of residue 2687
Atom CA of residue 395
Atom CA of residue 542
Atom CA of residue 87
LYS
Atom CB of residue 99
VAL
MET
ARG
Atom CA of residue 583
Atom CB of residue 153
Atom CA of residue 504
Atom CA of residue 64
Atom NH2 of residue 69
Atom CA of residue 441
Atom CA of residue 471
Atom CA of residue 130
Atom CA of residue 2639
Atom CE of residue 475
Atom CB of residue 34
Atom N of residue 129
ConjugateGradients
Atom CA of residue 57
Atom CA of residue 144
LYS
PRO
Atom CA of residue 43
Atom CA of residue 75
Atom CA of residue 79
Atom CA of residue 129
Atom CA of residue 135
Atom CB of residue 116
TYR
GLN
Atom C of residue 477
GLU
Atom CA of residue 519
Atom CA of residue 135
Atom CA of residue 40
Atom N of residue 32
ILE
Atom CA of residue 105
Atom CG of residue 524
Atom CD of residue 17
Atom CA of residue 47
Atom CG of residue 21
GLY
LEU
Atom CA of residue 147
Atom CA of residue 284
Atom CA of residue 46
Atom C of residue 52
Atom CA of residue 362
Atom CA of residue 108
Atom CA of residue 85
Atom CA of residue 46
ILE
TRP
Atom NH1 of residue 115
Atom CA of residue 326
Atom C of residue 74
input1.pdb
GLU
TRP
GLN
Atom N of residue 90
Atom CA of residue 2688
Atom NE of residue 147
Atom CA of residue 132
Atom CG of residue 99
Atom CA of residue 447
Atom CG of residue 79
GLU
ASP
Atom N of residue 9
Atom CA of residue 78
Atom CA of residue 126
ASP
ILE
Atom O of residue 18
Atom CE2 of residue 11
SER
Atom O of residue 42
Atom CA of residue 126
ALA
Atom CA of residue 70
Atom CA of residue 461
Atom CA of residue 129
Atom CA of residue 481
Atom CA of residue 350
Atom C of residue 123
Atom O of residue 112
Atom O of residue 448
Atom CA of residue 279
ALA
GLN
Atom NE2 of residue 98
GLU
THR
Atom CD2 of residue 68
Atom CG of residue 528
Atom CA of residue 175
PRO
GLU
Atom CD2 of residue 544
Atom C of residue 563
Atom CA of residue 567
Atom CA of residue 110
Atom CA of residue 40
TYR
Atom CA of residue 2657
LEU
Atom CG2 of residue 112
SER
Atom CA of residue 156
PHE
Atom CA of residue 434
Atom CG1 of residue 5
Atom O of residue 477
Atom CA of residue 148
Atom CB of residue 127
ALA
Atom CA of residue 14
Atom CA of residue 2663
Atom CA of residue 526
ALA
Atom CA of residue 92
Atom C of residue 76
Atom CD2 of residue 81
SER
Atom O of residue 30
TRP
ALA
GLU
Atom CA of residue 482
ASP
Atom CA of residue 553
ASP
GLY
Atom CA of residue 142
Atom O of residue 88
Atom CA of residue 34
Atom CA of residue 121
Atom CB of residue 101
GLU
Atom CA of residue 127
THR
Atom CA of residue 58
GLN
MapReaderWriter11
Atom CA of residue 31
Atom CA of residue 112
LEU
Atom CA of residue 467
Atom O of residue 74
ILE
MET
GLU
SER
ILE
ASP
ASP
ILE
LEU
Atom N of residue 85
Atom C of residue 583
Atom CA of residue 496
SER
LEU
GLN
Atom CA of residue 28
Atom CA of residue 266
THR
Atom O of residue 578
Atom CA of residue 86
THR
P2
LYS
Atom CG of residue 34
Atom CD of residue 21
TYR
Atom CD of residue 79
Atom CA of residue 148
Atom O of residue 52
CYS
Atom NZ of residue 475
Atom NH2 of residue 115
HIS
Atom CA of residue 33
Atom C of residue 465
Atom CA of residue 2651
VAL
Atom C of residue 47
ASP
Atom CA of residue 67
ASN
VAL
Atom CA of residue 559
PRO
Atom CA of residue 2692
Atom CG of residue 116
Atom CZ of residue 11
Atom CB of residue 42
ILE
Atom CA of residue 557
LEU
VAL
Atom CA of residue 136
Atom O of residue 38
Atom CA of residue 71
Atom C of residue 495
PHE
Atom O of residue 563
Atom NH1 of residue 29
THR
Atom CB of residue 30
Atom CA of residue 448
Atom CA of residue 134
Atom CA of residue 472
Atom CA of residue 275
Atom CB of residue 88
Atom CB of residue 448
Atom CA of residue 285
Atom C of residue 28
Atom CB of residue 147
GLN
Atom CE of residue 74
Atom CA of residue 42
Atom CA of residue 404
ARG
Atom CA of residue 70
Atom CA of residue 145
Atom CA of residue 526
Atom CA of residue 119
GLY
Atom CA of residue 46
LEU
Atom CA of residue 9
GLY
GLN
Atom N of residue 29
ALA
Atom CA of residue 355
Atom N of residue 70
Atom CB of residue 51
PRO
Atom CD of residue 528
Atom CA of residue 526
Atom CA of residue 13
ASP
ALA
Atom CA of residue 96
ASN
GLN
Atom C of residue 450
Atom CA of residue 22
Atom CA of residue 146
Atom CA of residue 528
Atom CA of residue 499
Atom CB of residue 112
Atom CE of residue 153
Atom CA of residue 149
ILE
GLU
Atom CA of residue 41
Atom CA of residue 572
SER
Atom CA of residue 538
PRO
Atom CA of residue 113
LEU
Atom CA of residue 322
GLY
LYS
LEU
Atom CA of residue 62
ARG
Atom CD1 of residue 112
GLU
ALA
VAL
Atom CA of residue 109
Atom OD1 of residue 99
Atom CB of residue 578
Atom CA of residue 2640
Atom CA of residue 109
Atom CB of residue 477
Atom C of residue 467
Atom CG of residue 127
LEU
SER
GLU
PRO
ALA
Atom CA of residue 534
LEU
GLU
SER
Atom CB of residue 563
Atom CA of residue 45
Atom N of residue 82
Atom CA of residue 67
PHE
Atom O of residue 123
Atom N of residue 116
Atom CB of residue 74
ALA
Atom O of residue 495
Atom CA of residue 548
Atom CA of residue 26
Atom CA of residue 396
Atom CA of residue 565
GLU
ILE
Atom CA of residue 501
Atom CA of residue 499
HIS
Atom O of residue 28
Atom CA of residue 106
Atom CD of residue 524
Atom C of residue 90
Atom CA of residue 85
Atom O of residue 17
Atom CA of residue 363
Atom NH2 of residue 103
Atom C of residue 146
Atom CD of residue 147
LEU
VAL
Atom CA of residue 72
Atom CB of residue 77
SER
LEU
Atom CA of residue 65
Atom NH2 of residue 29
Atom CA of residue 38
ALA
Atom O of residue 450
Atom CA of residue 176
THR
THR
LYS
Atom CA of residue 36
Atom CB of residue 52
Atom CB of residue 465
ALA
Atom CA of residue 61
VAL
Atom N of residue 476
Atom CE of residue 528
Atom CD1 of residue 34
ASN
THR
Atom O of residue 47
ASP
Atom CA of residue 39
ARG
THR
GLN
Atom CA of residue 327
Atom NZ of residue 153
Atom CA of residue 47
PRO
Atom CA of residue 27
Atom CG of residue 30
Atom CA of residue 47
Atom CA of residue 113
LEU
PRO
Atom CG of residue 88
Atom CA of residue 286
GLU
ALA
Atom CA of residue 555
GLN
Atom O of residue 76
GLY
LYS
1z5s_C.pdb
ASP
Atom CA of residue 82
Atom CA of residue 127
Atom CA of residue 143
Atom CG1 of residue 112
Atom O of residue 100
Atom CA of residue 505
Atom CA of residue 580
MET
Atom CA of residue 351
Atom CG2 of residue 5
Atom CA of residue 103
Atom CA of residue 122
Atom CE2 of residue 68
ARG
VAL
Atom CA of residue 110
Atom CA of residue 2664
Atom CA of residue 86
Atom CA of residue 543
Atom CD1 of residue 116
Atom OG1 of residue 51
LYS
Atom CA of residue 2658
Atom O of residue 583
Atom CA of residue 6
SER
LEU
SER
Atom CA of residue 85
Atom CA of residue 36
Atom C of residue 67
Atom N of residue 2
Atom CA of residue 280
ILE
Atom CA of residue 2652
Atom CE of residue 524
Atom CG1 of residue 563
PHE
Atom CA of residue 136
Atom CA of residue 449
Atom C of residue 109
LEU
LYS
Atom OD1 of residue 127
Atom CA of residue 157
Atom CE1 of residue 544
Atom CA of residue 74
LEU
HIS
ASN
Atom CA of residue 107
Atom N of residue 104
Atom N of residue 99
Atom OE1 of residue 21
Atom OD2 of residue 99
Atom CA of residue 20
Atom CA of residue 146
Atom CA of residue 98
mol2
Atom N of residue 80
Atom CB of residue 123
Atom C of residue 548
ASN
Atom O of residue 146
LYS
LEU
Atom C of residue 129
LEU
VAL
Atom CA of residue 473
PRO
Atom CA of residue 515
ASP
Atom CG of residue 448
THR
Atom O of residue 90
ILE
Atom CB of residue 76
Model 6
Atom C of residue 39
Atom CA of residue 462
Atom CA of residue 482
LEU
Atom N of residue 113
Atom CG of residue 52
Atom CB of residue 61
ILE
LEU
ILE
Atom OH of residue 11
VAL
Atom CA of residue 2653
LEU
Atom C of residue 39
Atom CD2 of residue 34
Atom CA of residue 568
Atom CA of residue 69
Atom CA of residue 111
Atom CA of residue 500
MET
Atom O of residue 109
Atom CB of residue 583
ALA
Atom C of residue 499
Atom CB of residue 495
Atom C of residue 134
PRO
ARG
Atom N of residue 451
Atom OG of residue 477
Atom O of residue 467
Atom CA of residue 200
Atom CA of residue 177
LYS
Atom CA of residue 527
ILE
Atom CA of residue 93
Atom CA of residue 29
Atom CA of residue 2693
GLU
Atom CB of residue 47
ASN
Atom CA of residue 483
Atom CA of residue 497
GLY
Atom CA of residue 131
Atom CB of residue 548
Atom CA of residue 267
Atom CB of residue 146
Atom CA of residue 452
Atom O of residue 67
Atom CA of residue 276
ARG
PRO
Atom N of residue 75
Atom CA of residue 34
TYR
Atom CA of residue 554
ASP
GLU
Atom N of residue 154
Atom CA of residue 439
Atom CB of residue 28
SER
Atom NE2 of residue 544
Atom NE of residue 115
Atom CA of residue 47
Atom CA of residue 21
Atom CA of residue 114
LYS
ASN
Atom OD2 of residue 127
GLN
PRO
ASP
MET
PRO
Atom CA of residue 356
ILE
PHE
PRO
Atom CA of residue 116
Atom CA of residue 121
UpdateRigidBodyMembers10
Atom CA of residue 456
Atom O of residue 134
Atom CD of residue 448
Atom CA of residue 140
Atom CA of residue 250
Atom CD of residue 30
ASP
Atom O of residue 39
Atom OE2 of residue 21
Atom CD2 of residue 116
LYS
Atom OD1 of residue 88
PRO
Atom CD1 of residue 446
Atom CA of residue 323
Atom CA of residue 23
Atom N of residue 12
Atom CA of residue 558
Atom CA of residue 42
Atom NZ of residue 528
Atom CG of residue 465
LYS
Atom NZ of residue 524
Atom CA of residue 114
LYS
ARG
Atom CA of residue 120
ARG
ASP
Atom O of residue 499
Atom CA of residue 32
Atom N of residue 29
Atom CA of residue 110
Atom NE of residue 149
Atom CG2 of residue 51
GLY
Atom N of residue 478
VAL
Atom CA of residue 556
Atom O of residue 39
Atom CA of residue 37
Atom N of residue 30
Atom CA of residue 104
Atom N of residue 148
Atom CA of residue 137
ASP
ASP
Atom CB of residue 67
Atom CA of residue 83
Atom CZ of residue 68
Atom O of residue 548
LEU
Atom CA of residue 397
Atom CA of residue 464
LEU
Atom CA of residue 529
Atom CA of residue 2641
Atom CA of residue 6
Atom CB of residue 467
Atom CA of residue 37
VAL
Atom C of residue 50
GLY
Atom CA of residue 111
Atom CA of residue 573
Atom CA of residue 132
UpdateRigidBodyMembers2
Atom CG of residue 76
SER
Atom CA of residue 527
Atom CA of residue 544
GLU
GLU
ALA
Atom C of residue 85
Atom CA of residue 47
Atom O of residue 10
ALA
LEU
Atom CA of residue 560
Atom CA of residue 70
Atom CA of residue 150
PRO
ASP
GLU
Atom NH1 of residue 50
Atom CA of residue 70
GLU
Atom CA of residue 147
Atom CA of residue 435
Atom OG1 of residue 583
LEU
Atom C of residue 32
PHE
Atom CB of residue 90
Atom CZ of residue 115
Atom CB of residue 45
Atom CG of residue 123
Atom CG2 of residue 112
PRO
Atom CG of residue 153
Atom OD1 of residue 465
TYR
GLU
Atom CA of residue 328
ALA
ILE
P0
Atom CA of residue 364
Atom CA of residue 97
LYS
GLU
ASP
SER
GLN
Atom CD2 of residue 77
PHE
THR
LEU
Atom CA of residue 502
Atom OD2 of residue 88
Atom CA of residue 535
Atom CG of residue 495
ARG
Atom CA of residue 2665
Atom N of residue 545
Atom CA of residue 82
Atom N of residue 100
Atom N of residue 52
Atom CA of residue 352
Atom CA of residue 281
ASN
Atom CA of residue 506
ILE
Atom CA of residue 432
Atom CA of residue 566
Atom CA of residue 99
Atom CA of residue 18
Atom CA of residue 80
PRO
Atom CA of residue 104
LEU
Atom N of residue 43
Atom CA of residue 69
LEU
Atom CA of residue 108
Atom CA of residue 2689
Atom C of residue 29
GLN
Atom CZ of residue 149
VAL
LEU
LEU
CYS
Atom CE of residue 30
LEU
Atom N of residue 22
LYS
rigid bodies list
GLY
Atom CA of residue 113
Atom CA of residue 178
Atom C of residue 70
Atom CA of residue 129
LEU
Atom CB of residue 109
Atom CA of residue 128
Atom CA of residue 144
Atom O of residue 50
Atom CA of residue 48
Atom CD of residue 52
Atom CA of residue 20
Atom N of residue 529
Atom CA of residue 34
Atom CA of residue 37
Chain A
Atom CA of residue 555
Atom O of residue 85
Atom CA of residue 432
Atom CA of residue 476
Atom CA of residue 123
Atom NE of residue 448
GLN
Atom N of residue 525
ALA
MET
DensityMap53
Atom CG of residue 47
Atom CA of residue 2659
Atom CD of residue 123
Atom CD1 of residue 112
Atom CA of residue 35
Atom N of residue 128
Atom CA of residue 71
Atom CA of residue 44
ASP
Atom CA of residue 33
Atom CG of residue 67
Atom CG1 of residue 4
Atom CA of residue 2667
Atom CB of residue 499
Atom OH of residue 68
PRO
THR
Atom CG1 of residue 90
Atom NH1 of residue 115
Atom CB of residue 39
Atom CA of residue 463
Atom CA of residue 483
ALA
Atom CA of residue 10
Atom CA of residue 133
Atom CA of residue 128
Atom O of residue 129
ASP
SER
Atom CA of residue 520
LEU
GLY
Atom CA of residue 561
Atom CA of residue 29
Atom OD1 of residue 495
ALA
Atom CA of residue 66
Atom CA of residue 569
Atom CZ of residue 147
Atom CA of residue 112
Atom N of residue 117
VAL
Atom CA of residue 501
GLU
Atom CB of residue 116
Atom CD of residue 153
Atom CA of residue 81
Atom CA of residue 440
Atom O of residue 20
GLY
Atom CA of residue 22
Atom CE1 of residue 77
PRO
Atom CA of residue 41
THR
ALA
ILE
GLN
Atom CA of residue 528
Atom CA of residue 94
ASP
Atom SD of residue 76
HIS
Atom CA of residue 484
Atom N of residue 135
Atom CA of residue 121
Atom CA of residue 277
Atom OD2 of residue 465
LYS
Atom CA of residue 71
Atom CG2 of residue 4
Atom CA of residue 451
LYS
Atom C of residue 6
Atom CA of residue 12
PRO
THR
Atom CA of residue 35
Atom CA of residue 109
CYS
Atom O of residue 29
PHE
Atom C of residue 82
Atom O of residue 70
PRO
Atom CG2 of residue 583
TRP
Atom CA of residue 201
Atom N of residue 53
SER
GLU
Atom CA of residue 357
LYS
Atom CA of residue 530
Atom CA of residue 474
Atom CA of residue 48
GLU
Atom CA of residue 574
Atom CA of residue 461
ASP
Atom NH1 of residue 147
Atom CD of residue 47
GLY
GLU
Atom CA of residue 122
ARG
PRO
Atom CA of residue 498
Atom CA of residue 64
Atom CA of residue 114
Atom O of residue 32
Atom CA of residue 22
MET
Atom CA of residue 30
SER
Atom CG of residue 467
SER
Atom CG2 of residue 563
ILE
Atom CA of residue 324
Atom CA of residue 24
Atom CA of residue 122
TYR
LYS
Chain B
TYR
PHE
Atom C of residue 99
Atom CA of residue 559
Atom C of residue 476
Atom CA of residue 23
ARG
Atom CA of residue 75
ILE
Atom NH2 of residue 115
Atom CG of residue 39
VAL
CYS
Atom CG1 of residue 109
LEU
MapReaderWriter37
GLU
Atom CA of residue 87
ARG
Atom CA of residue 531
THR
Atom CA of residue 12
Atom CA of residue 436
VAL
Atom CZ of residue 448
Atom CA of residue 138
Atom CA of residue 536
Atom CA of residue 18
Atom CA of residue 575
Atom CA of residue 557
Atom CG2 of residue 90
THR
Atom CA of residue 398
Atom NH2 of residue 147
CoarseCC9
Atom CA of residue 100
THR
Atom CB of residue 129
Atom CA of residue 465
GLU
Atom CA of residue 135
Atom CA of residue 84
Atom C of residue 80
Atom N of residue 124
Atom N of residue 113
Atom CG of residue 116
PRO
Atom CB of residue 32
ALA
Atom C of residue 29
ASP
Atom CA of residue 31
PRO
Atom CA of residue 567
Atom CA of residue 2642
Atom CA of residue 437
Atom CD1 of residue 4
MET
Atom N of residue 69
ALA
Atom CA of residue 112
Atom CA of residue 365
Atom CE of residue 76
ALA
Atom CA of residue 528
Atom CA of residue 545
VAL
THR
LEU
TYR
LEU
Atom CA of residue 14
Atom N of residue 23
VAL
Atom CA of residue 5
Atom CA of residue 43
LYS
GLN
PRO
Atom O of residue 82
ALA
Atom CA of residue 148
Atom CB of residue 85
Atom N of residue 584
MET
Atom N of residue 89
ILE
Atom OD2 of residue 495
Atom CB of residue 20
LYS
Atom CA of residue 111
Atom O of residue 6
Atom CA of residue 478
Atom CD of residue 467
Atom CA of residue 329
Atom CA of residue 21
CYS
GLU
mol_0 rigid body rigid body positions
Atom N of residue 564
Atom NZ of residue 30
Atom CA of residue 115
ASN
Atom CA of residue 129
Atom C of residue 113
Atom CG of residue 32
Atom O of residue 29
ASN
Atom NH1 of residue 149
Atom N of residue 51
VAL
Atom O of residue 465
Atom CA of residue 562
THR
ALA
ASP
Atom CA of residue 23
Atom CA of residue 353
Atom CA of residue 503
PHE
Atom C of residue 32
TRP
Atom OG of residue 572
Atom CA of residue 75
Atom C of residue 104
LYS
Atom CA of residue 10
Atom O of residue 476
ASP
Atom CG of residue 499
Atom CA of residue 124
SER
Atom N of residue 116
Atom CA of residue 2690
Atom CB of residue 70
Atom NE of residue 47
THR
Atom CA of residue 132
Atom CG of residue 548
GLU
LEU
Atom CA of residue 2666
Atom CA of residue 545
Atom O of residue 6
LEU
Atom CA of residue 2668
Atom NH1 of residue 448
Atom CA of residue 282
Atom C of residue 75
Atom CA of residue 25
LYS
LEU
Atom O of residue 80
LYS
Atom CD of residue 32
Atom CB of residue 29
VAL
ALA
Atom C of residue 12
Atom CA of residue 49
SER
Atom CA of residue 565
ALA
Atom CA of residue 556
Atom CA of residue 432
ILE
Atom CA of residue 105
Atom CA of residue 179
Atom CA of residue 129
Atom CD of residue 20
ASN
Atom CA of residue 441
THR
PHE
ALA
THR
Atom C of residue 128
Atom CA of residue 129
VAL
Atom C of residue 30
LYS
Atom C of residue 62
Atom CA of residue 23
Atom CE2 of residue 77
GLY
Atom N of residue 130
Atom CG of residue 85
Atom CA of residue 24
Atom C of residue 451
Atom CA of residue 499
Atom O of residue 113
THR
Atom CB of residue 29
Atom CD1 of residue 90
Atom O of residue 147
Atom CA of residue 117
Atom CA of residue 52
ASN
LEU
Atom CA of residue 66
Atom CA of residue 79
HIS
Atom CA of residue 507
VAL
ALA
Atom OE1 of residue 32
Atom CA of residue 13
TYR
Atom CD of residue 548
Atom N of residue 573
Atom CA of residue 110
Atom CA of residue 87
GLN
Atom CA of residue 24
Atom NH2 of residue 149
Atom C of residue 478
THR
Atom CD of residue 499
Atom CA of residue 30
GLN
AccumulateRigidBodyDerivatives7
ASN
Atom CA of residue 34
LEU
Atom CA of residue 433
ILE
ALA
Atom CA of residue 65
Atom O of residue 32
Atom CA of residue 202
PRO
LYS
Atom N of residue 496
Atom CA of residue 2654
Atom CG of residue 20
Atom C of residue 545
Atom CB of residue 82
Atom O of residue 104
Atom CB of residue 13
Atom OE1 of residue 467
Atom CA of residue 24
TYR
LEU
VAL
Atom C of residue 100
Atom CA of residue 469
Atom OD1 of residue 67
PHE
GLN
Atom CA of residue 67
TYR
Atom CA of residue 525
Atom CA of residue 358
Atom O of residue 99
Atom CG2 of residue 109
GLU
Atom O of residue 75
Atom C of residue 529
Atom CA of residue 89
LEU
Atom CA of residue 9
Atom CA of residue 475
Atom CA of residue 49
Atom CA of residue 36
GLU
Atom OE2 of residue 32
LYS
PRO
Atom OG1 of residue 29
Chain A
Atom CA of residue 453
Atom CA of residue 464
normalize rigid bodies
Atom CA of residue 502
Atom CA of residue 484
GLU
Atom CA of residue 128
Atom CA of residue 53
Atom C of residue 75
Atom CZ of residue 77
PRO
Atom CA of residue 325
Atom O of residue 451
Atom CB of residue 476
Atom CA of residue 521
Atom CG of residue 29
ILE
Atom CA of residue 570
Atom CB of residue 104
Atom CZ of residue 47
MET
Atom CA of residue 113
Atom C of residue 91
Atom C of residue 117
Atom C of residue 52
LYS
Atom CA of residue 462
PHE
PHE
Atom O of residue 30
Atom CA of residue 19
Atom CA of residue 116
Atom CA of residue 471
Atom CA of residue 38
Atom CA of residue 12
PRO
Atom CA of residue 69
LYS
Atom CA of residue 529
Atom N of residue 91
Atom CA of residue 95
Atom C of residue 78
PRO
Atom N of residue 77
Atom CA of residue 485
Atom CA of residue 123
Atom CA of residue 463
Atom CA of residue 89
Atom CA of residue 124
Atom CA of residue 113
Atom CA of residue 39
Atom CA of residue 529
Atom CA of residue 463
Atom CA of residue 399
LYS
THR
Atom CA of residue 476
Atom CA of residue 89
Atom N of residue 6
ALA
Atom CA of residue 537
Atom CA of residue 111
SER
Atom CA of residue 564
Atom CA of residue 25
LEU
AccumulateRigidBodyDerivatives6
Atom CA of residue 51
Atom C of residue 147
Atom CA of residue 568
Atom O of residue 100
GLN
Atom CA of residue 99
Atom OD2 of residue 67
Atom CA of residue 2643
Atom CA of residue 438
SER
Atom CG of residue 82
Atom O of residue 117
Atom CB of residue 80
ASP
ASP
Atom CA of residue 116
Atom O of residue 545
Atom OG1 of residue 70
SER
LEU
Atom CA of residue 106
Atom CB of residue 113
Atom N of residue 33
Atom CA of residue 44
Atom OE1 of residue 548
Atom O of residue 91
SER
ALA
GLN
Atom CA of residue 330
GLN
THR
Atom CA of residue 2667
Atom CA of residue 32
ASN
Atom CA of residue 112
Atom CB of residue 99
VAL
ASP
Atom CA of residue 560
Atom CA of residue 73
Atom OE1 of residue 499
Atom NH2 of residue 448
GLY
Atom C of residue 4
ALA
GLN
ALA
Atom CA of residue 558
VAL
Atom C of residue 525
Atom CA of residue 366
LEU
GLY
GLU
Atom CA of residue 85
Atom CG of residue 6
ILE
Atom C of residue 89
Atom CA of residue 24
PRO
Atom O of residue 75
Atom O of residue 12
Atom CA of residue 68
Atom C of residue 12
Atom CA of residue 354
Atom CA of residue 21
Atom OE2 of residue 467
Writer to slow_temp_000.pdb
Atom CG1 of residue 476
Atom CA of residue 113
VAL
THR
ARG
Atom NH1 of residue 47
Atom CA of residue 546
THR
VAL
PHE
ALA
Atom CD1 of residue 109
Atom CA of residue 63
Atom C of residue 53
Atom CA of residue 463
Atom CD of residue 29
Atom CA of residue 508
Atom CB of residue 13
TYR
GLN
Atom C of residue 135
Atom O of residue 478
Atom CB of residue 75
LYS
Atom CA of residue 180
TupleRestraint 0
Atom O of residue 78
Atom CA of residue 442
Atom C of residue 564
Atom CA of residue 529
Atom CA of residue 14
Atom CG of residue 104
Atom CB of residue 100
Atom OD1 of residue 85
Atom CA of residue 584
DensityMap887
LYS
Atom N of residue 78
Atom O of residue 52
LEU
ASP
Atom C of residue 69
Atom CA of residue 310
Atom CA of residue 283
MET
Atom CB of residue 545
PRO
Atom CG2 of residue 70
Atom CA of residue 472
Atom N of residue 482
Atom CA of residue 2669
Atom CA of residue 125
Atom CA of residue 88
Atom CA of residue 2691
ARG
Atom CG of residue 80
Atom CB of residue 32
THR
Atom NE of residue 29
CYS
Atom CA of residue 464
SER
Atom N of residue 150
PHE
Atom CB of residue 12
GLU
GLU
LEU
Atom NE1 of residue 41
ILE
Atom CA of residue 465
Atom CA of residue 485
Atom CA of residue 504
Atom CA of residue 500
Atom CA of residue 132
Atom CA of residue 16
Atom O of residue 53
Atom CA of residue 130
Atom CA of residue 143
THR
Atom CA of residue 522
Atom O of residue 69
LEU
Atom CA of residue 43
GLN
Atom O of residue 525
Atom CA of residue 571
Atom CB of residue 30
Atom CA of residue 114
GLU
Atom OG of residue 7
LYS
ALA
Atom CA of residue 23
Atom CG2 of residue 29
PRO
Model 25
ILE
THR
GLU
Atom N of residue 468
Atom C of residue 51
Atom O of residue 128
LYS
Atom CA of residue 530
LEU
Atom CA of residue 2655
Atom CA of residue 96
GLN
VAL
Atom CE3 of residue 104
Atom CG of residue 99
Atom CB of residue 91
Atom CA of residue 486
Atom CA of residue 557
Atom C of residue 89
LEU
Atom CB of residue 496
Atom CA of residue 124
VAL
Atom CB of residue 478
Atom NE2 of residue 499
LEU
Atom CG1 of residue 75
Atom CA of residue 50
LEU
Atom CA of residue 563
Atom CA of residue 80
Atom CA of residue 359
VAL
ALA
Atom ND2 of residue 85
Atom CA of residue 134
GLU
Atom CG of residue 32
SER
Atom CA of residue 203
Atom O of residue 529
PHE
Atom CA of residue 48
GLU
Atom CA of residue 22
Atom CA of residue 39
HIS
ASP
Atom CA of residue 77
Atom N of residue 71
Atom C of residue 584
Atom CB of residue 451
Fit restraint scratch map
Atom CA of residue 75
Atom CG of residue 113
GLY
GLY
Atom CZ of residue 29
GLY
Atom CA of residue 326
Atom CA of residue 503
Atom C of residue 124
Atom C of residue 113
Atom CB of residue 88
SER
Atom CG of residue 100
Atom CA of residue 35
Atom CA of residue 470
ALA
Atom CA of residue 25
Atom CA of residue 573
Atom CA of residue 112
Atom C of residue 130
Atom CA of residue 125
Atom CA of residue 16
ALA
Atom CA of residue 83
Atom CA of residue 100
GLU
Atom CA of residue 561
PRO
TYR
ASN
Atom CA of residue 458
Atom CA of residue 311
Atom CB of residue 116
GLU
Atom CA of residue 117
Atom CB of residue 117
Atom OD2 of residue 100
GLY
Atom NE2 of residue 548
Atom CA of residue 2668
ILE
Atom CD1 of residue 82
Atom CA of residue 440
Atom CA of residue 400
Atom CB of residue 52
Model 40
Atom CA of residue 23
Atom N of residue 110
Atom CA of residue 123
Atom CA of residue 21
Atom CA of residue 74
Atom CG1 of residue 30
Atom CA of residue 130
Atom CA of residue 71
ALA
Atom CD2 of residue 135
Atom CA of residue 26
Atom CA of residue 50
TRP
VAL
ILE
Atom N of residue 30
Atom O of residue 564
Atom CG of residue 12
Atom CG of residue 88
CYS
Atom CA of residue 367
Atom CA of residue 530
python stream rigid body
Atom CE3 of residue 41
Atom CA of residue 532
Atom CA of residue 439
GLU
Atom O of residue 89
Atom CA of residue 576
ILE
LEU
ALA
GLU
Atom N of residue 68
Atom CA of residue 434
Atom CA of residue 455
Atom O of residue 124
Atom O of residue 113
Atom O of residue 51
Atom CA of residue 25
ALA
ARG
PRO
Atom CB of residue 75
PRO
Atom CA of residue 107
Atom CG2 of residue 476
Atom CA of residue 331
Atom CA of residue 135
Atom CD1 of residue 113
Atom CA of residue 496
Atom NH1 of residue 29
Atom CB of residue 525
Atom CA of residue 91
Atom CB of residue 78
Atom NH2 of residue 47
THR
PRO
ALA
THR
Atom CA of residue 33
VAL
GLY
Atom C of residue 8
Atom CG of residue 451
Atom CD of residue 32
LEU
Atom CA of residue 538
Atom CA of residue 559
Atom CA of residue 2692
GLU
Atom C of residue 48
LYS
ARG
SER
Atom CA of residue 355
Atom N of residue 500
Atom CB of residue 128
Atom CB of residue 53
ALA
Atom OD1 of residue 99
Atom CA of residue 569
Atom CE2 of residue 87
Atom C of residue 4
Atom CA of residue 505
CYS
Atom CB of residue 529
Atom CA of residue 114
VAL
LYS
Atom CA of residue 113
GLY
Atom CD2 of residue 82
Atom CA of residue 547
VAL
LEU
Atom CA of residue 107
ASN
VAL
Atom CA of residue 144
Atom CD of residue 80
Atom CA of residue 126
Atom CA of residue 509
Atom CG of residue 116
Atom CA of residue 78
Atom O of residue 130
Atom CA of residue 70
VAL
Atom CA of residue 2644
LEU
Atom CA of residue 284
VAL
Atom C of residue 573
Atom CA of residue 72
Atom OG1 of residue 91
LYS
ARG
Atom CG of residue 545
Atom CA of residue 33
Atom CA of residue 473
Atom O of residue 135
Atom CB of residue 69
Atom CA of residue 181
Atom CA of residue 45
Atom O of residue 496
Atom CA of residue 2693
Atom CG of residue 78
LEU
Atom CD1 of residue 104
Atom OE1 of residue 483
TYR
VAL
Atom CD of residue 88
Atom CA of residue 82
Atom CA of residue 564
Atom CA of residue 45
Atom CA of residue 459
Atom CA of residue 312
Atom CA of residue 89
Atom CA of residue 113
Atom CG1 of residue 117
ALA
Atom CA of residue 2670
GLY
Atom N of residue 477
Atom CA of residue 449
Atom N of residue 549
LEU
Atom N of residue 48
LYS
Atom O of residue 584
Atom CA of residue 22
Atom SG of residue 75
VAL
LEU
THR
ASN
Atom O of residue 8
ALA
PRO
Atom OG of residue 478
LYS
Atom CA of residue 26
MET
Atom OG of residue 525
Atom NE of residue 77
Atom CA of residue 132
Atom CA of residue 12
Atom CA of residue 486
VAL
mol1
Atom CA of residue 14
Atom CA of residue 500
Atom CG of residue 52
ARG
Atom CA of residue 523
Atom CG2 of residue 75
THR
Atom C of residue 91
Atom CA of residue 572
Atom CB of residue 564
Atom CA of residue 115
ILE
Atom N of residue 86
Atom CA of residue 456
Atom CB of residue 124
Atom CB of residue 113
Atom CD1 of residue 116
Atom CG of residue 53
ILE
ALA
ALA
ASP
Atom CB of residue 130
Atom CD1 of residue 12
GLN
Atom CD of residue 451
Atom CD2 of residue 113
PRO
ASP
Atom CA of residue 531
LEU
Atom CA of residue 97
LYS
Atom CG2 of residue 91
Atom CA of residue 487
Atom OE2 of residue 9
Atom CA of residue 558
Atom CA of residue 110
Atom N of residue 81
PRO
Atom NH2 of residue 29
ALA
HIS
Atom CA of residue 541
LYS
LEU
GLY
GLU
Atom CA of residue 14
Atom CZ2 of residue 41
GLN
GLN
Chain  
Atom CB of residue 89
Atom CA of residue 501
Atom CA of residue 15
Atom CA of residue 36
THR
SER
GLY
Atom SG of residue 43
Atom SD of residue 545
Atom O of residue 48
LEU
Atom CA of residue 150
Atom CA of residue 204
Atom CB of residue 51
Atom CG1 of residue 529
Atom CA of residue 2
GLU
Atom CA of residue 2656
Atom CE1 of residue 82
Atom CG2 of residue 30
Atom CA of residue 327
Atom CB of residue 135
LEU
PHE
THR
ILE
Atom CD2 of residue 104
PHE
Atom CA of residue 106
ALA
Atom CA of residue 15
Atom N of residue 479
Atom CA of residue 468
Atom CG of residue 128
Atom CD of residue 78
Atom OD2 of residue 99
GLY
Atom CB of residue 584
ILE
THR
Atom CD2 of residue 116
Atom OE1 of residue 32
THR
Atom N of residue 30
Atom O of residue 573
GLU
LYS
Atom CG2 of residue 117
PRO
TYR
Atom CA of residue 562
GLU
Atom CA of residue 279
Atom C of residue 449
Atom N of residue 76
Atom CG of residue 69
Atom CA of residue 401
ALA
Atom C of residue 68
Atom CA of residue 435
Atom CA of residue 124
Atom CA of residue 74
MET
Atom CA of residue 73
ALA
Atom N of residue 76
Atom CA of residue 74
Atom CA of residue 27
SER
Atom CA of residue 52
MET
VAL
LYS
Atom CA of residue 83
PHE
Atom CA of residue 137
Atom C of residue 71
Atom CA of residue 466
Atom CA of residue 60
Atom CD of residue 52
Atom CA of residue 533
Atom CD2 of residue 12
Atom CA of residue 2645
Atom CA of residue 581
Atom CA of residue 118
Atom CA of residue 577
python stream
Atom CZ of residue 77
ASN
Atom CA of residue 531
Atom CA of residue 131
Atom CD of residue 100
Atom CA of residue 471
ASP
Atom CA of residue 141
Atom CA of residue 45
Atom N of residue 44
Atom CA of residue 504
GLN
Atom CA of residue 332
THR
Atom CA of residue 46
SER
SER
THR
Atom CZ3 of residue 41
Atom CA of residue 118
Chain D
normalize rigid bodies
LEU
SER
Atom CG1 of residue 89
Atom CA of residue 37
GLU
Atom CA of residue 34
THR
Atom CA of residue 114
Atom CA of residue 114
Atom CA of residue 101
LYS
Atom OG1 of residue 51
ILE
Atom CA of residue 368
Atom CD1 of residue 30
Atom C of residue 78
Atom CA of residue 38
Atom CA of residue 135
Atom CA of residue 39
Atom N of residue 452
Atom CA of residue 356
ALA
Atom CA of residue 52
Atom CA of residue 539
ILE
TYR
Atom CB of residue 48
Atom C of residue 150
Atom CG2 of residue 529
Atom CA of residue 360
Atom CD of residue 9
Atom CA of residue 570
GLN
Atom CA of residue 506
Atom CA of residue 20
ILE
Atom OE2 of residue 32
ALA
Atom O of residue 91
Atom CA of residue 30
Atom OG1 of residue 564
Atom N of residue 100
Atom CA of residue 145
ILE
Atom CG of residue 124
Atom CG of residue 113
PRO
Atom C of residue 468
Atom O of residue 449
Atom CD of residue 128
Atom CA of residue 440
Atom CB of residue 573
LEU
Atom CA of residue 313
Atom CA of residue 73
Atom CE2 of residue 82
Atom CA of residue 85
VAL
ASP
LEU
Atom CA of residue 510
Atom CA of residue 2669
TRP
CYS
Atom CA of residue 474
Atom OE1 of residue 100
LEU
VAL
Atom C of residue 110
ASN
Atom N of residue 117
LYS
Atom N of residue 114
Atom CA of residue 285
LEU
Atom CA of residue 182
Atom O of residue 61
Atom N of residue 526
SER
ARG
ALA
SER
Atom CA of residue 127
MET
Atom CA of residue 66
Atom CA of residue 549
Atom CA of residue 45
Atom O of residue 78
Atom CZ of residue 8
Atom CA of residue 2671
VAL
Atom CA of residue 6
Atom CA of residue 150
Atom CA of residue 16
ASP
python stream
ALA
Atom CA of residue 560
GLY
ARG
UpdateRigidBodyMembers7
VAL
ALA
Atom CG of residue 135
Atom CD2 of residue 24
ARG
LYS
Atom CA of residue 2629
Atom NE1 of residue 104
Atom N of residue 88
SER
Atom CA of residue 477
ILE
Atom CA of residue 115
Atom CA of residue 30
Atom CA of residue 115
Atom CA of residue 2657
Atom CE of residue 78
Atom CA of residue 138
Atom CA of residue 48
Atom CA of residue 548
Atom N of residue 92
GLU
Atom O of residue 68
LEU
Atom CA of residue 9
VAL
Atom CA of residue 91
Atom C of residue 560
GLU
Atom CG of residue 130
LYS
ASN
ASN
Atom OG of residue 61
Atom CA of residue 100
Atom CG2 of residue 564
Atom O of residue 150
Atom OD1 of residue 124
Atom CD1 of residue 113
Atom CA of residue 281
Atom CA of residue 2
Atom CG2 of residue 51
ASP
ILE
Atom CE of residue 545
ARG
LYS
PHE
TYR
PRO
ALA
LEU
Atom N of residue 92
Atom CA of residue 488
Atom CA of residue 16
Atom CG of residue 584
Atom CA of residue 205
Atom CA of residue 44
PHE
GLU
LEU
Atom CA of residue 40
Atom O of residue 110
PHE
LEU
Atom CD of residue 69
LYS
LYS
GLY
Atom CA of residue 2658
Atom CA of residue 90
GLU
Atom NZ of residue 78
Atom C of residue 30
Atom CZ of residue 82
Atom CA of residue 20
VAL
Atom CA of residue 487
Atom CA of residue 87
Atom CA of residue 502
Atom CA of residue 42
LEU
Atom OE1 of residue 9
Atom CA of residue 328
Atom N of residue 118
Atom CA of residue 61
Atom CA of residue 524
Atom N of residue 62
ASP
LEU
ASP
Atom CA of residue 573
Atom CA of residue 116
Atom CA of residue 505
ALA
LEU
Atom N of residue 53
Atom CA of residue 20
HIS
MET
GLY
Atom CA of residue 532
Atom CA of residue 432
ALA
GLN
VAL
Atom CA of residue 86
Atom CA of residue 5
Atom CD1 of residue 584
ALA
Atom CE1 of residue 24
Atom C of residue 549
Atom CA of residue 402
Atom N of residue 13
Atom CA of residue 472
GLU
GLU
ALA
Atom C of residue 500
Atom N of residue 449
Atom CA of residue 98
PHE
GLU
Model 29
Atom CA of residue 468
Atom CA of residue 559
Atom CA of residue 81
Atom CG2 of residue 89
Atom CA of residue 46
Atom N of residue 546
LYS
Atom CB of residue 78
Atom CB of residue 7
Atom CD of residue 130
Atom CA of residue 126
ASN
Atom CA of residue 479
Atom O of residue 468
Atom CA of residue 69
Atom C of residue 477
Atom CA of residue 76
THR
LEU
NormalizeRotation3
Atom O of residue 71
Atom C of residue 48
MET
Atom CB of residue 110
Atom N of residue 33
ALA
Atom CA of residue 147
Atom CA of residue 369
Atom CG of residue 48
ALA
Atom CA of residue 441
Atom CA of residue 43
Atom N of residue 530
ASP
PHE
VAL
Atom N of residue 31
Atom CD1 of residue 135
Atom CB of residue 68
Atom CA of residue 125
LYS
Atom CA of residue 333
VAL
Atom CB of residue 549
Atom C of residue 30
Atom CE2 of residue 104
GLU
Atom CA of residue 38
Atom CB of residue 5
Atom CA of residue 563
Atom CA of residue 151
SER
Atom N of residue 129
ARG
Atom CA of residue 35
Atom CA of residue 47
Atom CA of residue 71
LYS
normalize rigid bodies
Atom N of residue 565
Atom CE2 of residue 41
Atom CA of residue 119
Atom SG of residue 573
SER
Atom CA of residue 115
Atom CA of residue 72
Atom CB of residue 150
Atom CA of residue 534
Atom CA of residue 357
Atom CA of residue 90
PRO
Atom N of residue 52
Atom CA of residue 84
Atom CA of residue 62
Atom CA of residue 578
Atom CA of residue 561
ARG
VAL
PHE
Atom CA of residue 361
VAL
LYS
VAL
TRP
ARG
Atom CA of residue 41
HIS
LYS
Atom N of residue 70
Atom CA of residue 92
Atom CA of residue 116
Atom CA of residue 36
Atom CA of residue 526
Atom N of residue 79
VAL
CYS
Atom CA of residue 532
Atom CA of residue 549
LEU
LEU
MET
Atom CA of residue 128
Atom C of residue 94
Atom CA of residue 44
Atom O of residue 560
Atom O of residue 30
Atom O of residue 30
GLY
Atom N of residue 6
Atom CA of residue 5
LEU
ILE
Atom CA of residue 314
Chain C
Atom CA of residue 102
Atom C of residue 86
PHE
Atom CD1 of residue 89
Atom CA of residue 100
ARG
SER
Atom CA of residue 2670
Atom CA of residue 74
Atom CD of residue 48
GLU
CYS
Atom CA of residue 6
ALA
Atom CA of residue 86
Atom CB of residue 468
Atom C of residue 114
Atom C of residue 62
Atom CA of residue 513
Atom CA of residue 131
Atom CA of residue 92
Atom C of residue 81
Atom CD2 of residue 584
ILE
NullModifier7
Atom CA of residue 183
Atom O of residue 549
Atom CA of residue 116
Atom OE2 of residue 100
SER
Atom C of residue 479
Atom CA of residue 286
Atom C of residue 76
LYS
Atom CA of residue 101
ALA
NormalizeRotation2
Atom CA of residue 452
Atom CA of residue 507
Atom CA of residue 11
Atom CA of residue 117
Atom CA of residue 540
Atom CA of residue 91
LEU
normalize rigid bodies
THR
Atom CA of residue 100
ASN
Atom N of residue 136
Atom CA of residue 146
Atom ND2 of residue 124
Atom CD2 of residue 113
GLU
Atom O of residue 500
ALA
PRO
HIS
Atom CA of residue 566
Atom CA of residue 31
Atom CB of residue 71
PRO
Atom CA of residue 571
SER
normalize rigid bodies
Atom CA of residue 26
Atom CG of residue 110
LEU
Atom O of residue 94
Atom N of residue 497
CoarseCC6
UpdateRigidBodyMembers11
Atom CA of residue 118
Atom N of residue 151
VAL
PRO
Atom CA of residue 52
LEU
Atom CA of residue 55
PRO
ALA
LEU
Atom CA of residue 10
ALA
Atom CB of residue 30
ILE
Atom N of residue 83
SER
Atom CA of residue 39
VAL
DensityMap16
Atom CG of residue 78
Atom CA of residue 475
Atom CA of residue 62
Atom CA of residue 560
CYS
ALA
Atom CA of residue 92
SER
Atom C of residue 100
Atom CG of residue 20
UpdateRigidBodyMembers18
VAL
VAL
ILE
Atom O of residue 86
GLY
Atom CA of residue 2672
VAL
GLU
Atom C of residue 44
Atom CB of residue 30
Atom CA of residue 489
Atom N of residue 101
Atom CA of residue 329
Atom CA of residue 53
Atom CA of residue 488
Atom CA of residue 13
Atom CA of residue 88
HIS
Atom CA of residue 206
Atom CE2 of residue 24
PHE
Atom CA of residue 546
python stream
Atom CA of residue 41
Atom CA of residue 2
VAL
ASP
ALA
Atom O of residue 477
Atom CA of residue 525
ALA
MET
GLU
Atom CA of residue 117
ALA
ASN
HIS
Atom CA of residue 574
Atom O of residue 48
Atom CA of residue 117
VAL
Atom CA of residue 126
Atom N of residue 125
Atom N of residue 114
Atom CA of residue 47
LEU
GLU
Atom OE1 of residue 130
LEU
Atom CA of residue 33
GLN
ILE
Atom CA of residue 574
Atom CA of residue 533
Atom CA of residue 92
LYS
Atom CE of residue 48
Atom CA of residue 403
ASP
Atom O of residue 100
PRO
Atom CG of residue 68
Atom ND1 of residue 20
PRO
Atom CD1 of residue 116
Atom CA of residue 84
Atom CA of residue 535
GLY
Atom CA of residue 139
Atom C of residue 452
SER
SER
LEU
Atom CA of residue 579
LEU
Atom CG1 of residue 30
Atom C of residue 526
HIS
Atom CA of residue 127
Atom CA of residue 506
LYS
Atom O of residue 81
Atom CA of residue 530
PRO
ASN
Atom CD of residue 78
GLY
LEU
Atom CA of residue 473
Atom CA of residue 16
Atom CA of residue 99
GLN
TYR
Atom O of residue 568
Atom CA of residue 127
Atom CA of residue 503
Atom CA of residue 13
Atom CB of residue 500
Atom CA of residue 129
Atom CA of residue 514
Atom C of residue 10
Atom CA of residue 27
Atom CA of residue 442
GLU
Atom CA of residue 287
Atom CB of residue 477
Atom CA of residue 334
Atom CB of residue 94
Atom CA of residue 434
Atom CB of residue 48
Atom C of residue 92
Atom CA of residue 134
Atom CA of residue 25
Atom N of residue 585
Atom CA of residue 36
Atom CA of residue 480
Atom C of residue 546
ASP
Atom CG of residue 71
THR
THR
Atom CA of residue 536
Atom CA of residue 564
ILE
Atom CA of residue 580
Atom CA of residue 565
Atom C of residue 118
Atom CA of residue 358
Atom CZ of residue 24
Atom CA of residue 370
Atom CD2 of residue 116
Atom CA of residue 71
Atom NE2 of residue 130
Atom C of residue 53
Atom CA of residue 2649
Atom O of residue 479
Atom CG of residue 468
TRP
ARG
ARG
Atom CA of residue 541
PRO
Atom CA of residue 562
Atom CA of residue 79
Atom CA of residue 362
Atom CB of residue 100
ALA
SER
MET
ILE
Atom N of residue 90
Atom CA of residue 85
PRO
Atom CA of residue 572
TYR
ASP
SER
Atom O of residue 76
Atom CB of residue 118
Atom CA of residue 117
SER
Atom CA of residue 533
Atom CA of residue 550
VAL
ALA
Atom CA of residue 103
LEU
Atom CB of residue 86
Atom C of residue 117
Atom CA of residue 53
Atom CA of residue 315
Atom O of residue 452
Atom CA of residue 48
ALA
Atom O of residue 526
Atom C of residue 92
Atom CA of residue 31
ALA
Atom CZ3 of residue 104
Atom CD1 of residue 68
GLN
ILE
LEU
ASN
Atom CA of residue 287
Atom CG2 of residue 30
AccumulateRigidBodyDerivatives13
Atom CA of residue 116
Atom CA of residue 518
GLN
Atom CA of residue 17
Atom C of residue 530
Atom CA of residue 120
Atom CA of residue 467
PRO
ARG
PRO
Atom CB of residue 81
Atom CA of residue 129
Atom O of residue 44
Atom CG of residue 146
Atom NZ of residue 48
Atom CD1 of residue 71
Atom CA of residue 12
GLN
Atom CA of residue 84
LEU
Atom C of residue 13
Atom CA of residue 2673
Atom CA of residue 70
Atom CA of residue 52
Atom C of residue 129
SER
Atom CA of residue 83
Atom O of residue 92
Atom N of residue 131
TYR
Atom CA of residue 508
LYS
ARG
Atom CA of residue 567
Atom C of residue 574
Atom CA of residue 2671
PHE
DensityMap1070
Atom CA of residue 41
Atom O of residue 53
Atom CA of residue 147
Atom CD2 of residue 20
Atom CB of residue 479
Atom CD of residue 468
Atom CA of residue 108
ARG
Atom O of residue 114
Atom CA of residue 526
Atom CB of residue 76
Atom CA of residue 32
VAL
Atom O of residue 118
GLU
Atom C of residue 33
Atom CA of residue 93
GLY
Atom C of residue 497
Atom CD1 of residue 30
Atom CG of residue 30
THR
Atom CA of residue 288
ARG
Atom OG of residue 477
Atom CA of residue 142
Atom OG1 of residue 135
Atom CG of residue 118
Atom CA of residue 53
Atom C of residue 565
Atom CG of residue 48
Atom CA of residue 65
Atom CA of residue 490
PHE
GLY
ILE
ILE
Atom O of residue 117
Atom CA of residue 75
Atom CD of residue 146
HIS
SER
1tdx.pdb
SER
ALA
Chain A
PHE
Atom CZ2 of residue 104
Atom CA of residue 561
Atom CG1 of residue 86
Atom CG of residue 500
Atom CA of residue 21
ASN
Atom CA of residue 184
Atom CA of residue 120
Atom N of residue 117
ASP
Atom O of residue 530
Atom CG of residue 77
ALA
LEU
Atom CA of residue 132
Atom CG of residue 100
Atom CA of residue 330
Atom CD of residue 110
Atom CA of residue 504
Atom CG of residue 94
GLY
Atom CG of residue 549
ASP
Atom CA of residue 151
ALA
LEU
TYR
Atom C of residue 70
Atom O of residue 129
LYS
Atom O of residue 546
Atom O of residue 565
Atom C of residue 84
Atom CA of residue 63
THR
Atom CA of residue 26
Atom CA of residue 207
ALA
GLN
GLU
Atom CA of residue 2659
Atom CE of residue 146
Atom CA of residue 12
Atom N of residue 49
ILE
Atom CA of residue 101
Atom CB of residue 118
Atom O of residue 13
Atom CB of residue 114
Atom CA of residue 145
Atom CA of residue 404
Atom OE1 of residue 78
SER
Atom C of residue 434
ASP
Atom CB of residue 452
GLN
ILE
CYS
Atom CB of residue 44
Atom CA of residue 497
Atom N of residue 31
Atom O of residue 574
LEU
Atom O of residue 92
Atom CD of residue 30
Atom CA of residue 125
Atom CA of residue 114
Atom C of residue 52
TRP
Atom CG2 of residue 135
PHE
Atom CD of residue 77
Atom N of residue 105
Atom CA of residue 476
Atom CB of residue 9
Atom CA of residue 17
Atom CA of residue 136
ALA
Atom CA of residue 53
Atom O of residue 33
Atom CA of residue 35
HIS
Atom CA of residue 507
ARG
HIS
Atom CD of residue 115
PRO
Atom CD2 of residue 71
Atom CA of residue 474
Atom CA of residue 48
GLU
PRO
Atom OD1 of residue 549
PHE
Atom CB of residue 526
Atom CA of residue 371
ILE
Atom CA of residue 489
Atom CA of residue 89
HIS
Atom CG1 of residue 479
Atom CE of residue 468
Atom CA of residue 335
Atom CG of residue 76
Atom N of residue 25
TRP
ASN
Atom O of residue 84
Atom CA of residue 136
Atom CE of residue 110
ASP
Atom CD1 of residue 94
Atom CA of residue 37
GLN
Atom CA of residue 30
Atom CA of residue 121
Atom NZ of residue 146
Atom CA of residue 575
TYR
Atom CA of residue 118
Atom CA of residue 128
Atom CA of residue 50
Atom CB of residue 53
Atom CA of residue 289
Atom CA of residue 39
Atom CA of residue 121
Atom CA of residue 105
ASN
LEU
ILE
Atom CA of residue 359
Atom CD of residue 500
LYS
Atom CA of residue 534
Atom CA of residue 2633
Atom C of residue 83
Atom CB of residue 92
ALA
Atom CD2 of residue 68
Atom CA of residue 34
Atom CA of residue 12
Atom CE1 of residue 20
Atom N of residue 136
Atom CA of residue 363
Atom OE2 of residue 78
PHE
Atom N of residue 478
Atom CA of residue 10
Atom O of residue 70
Atom CA of residue 542
ALA
Atom CB of residue 39
Atom O of residue 31
Atom SD of residue 48
Atom C of residue 101
Atom C of residue 151
Atom CG of residue 81
Atom CA of residue 2672
Atom CD of residue 100
ARG
Atom CA of residue 573
Atom O of residue 434
Atom C of residue 136
Atom CA of residue 439
Atom CA of residue 443
Atom N of residue 453
Atom CA of residue 130
Model 30
ASN
Atom CA of residue 316
Atom CA of residue 52
LYS
MET
ARG
Atom O of residue 52
Atom CA of residue 54
Atom CB of residue 530
Atom CA of residue 481
ILE
Atom CG of residue 114
GLU
Atom O of residue 497
Atom CA of residue 76
Atom CB of residue 92
TYR
DensityMap26
Atom CG of residue 118
Atom CA of residue 104
ALA
GLU
Atom CA of residue 35
GLU
Atom C of residue 125
Atom C of residue 114
SER
Atom CB of residue 129
Atom N of residue 123
CYS
Atom CB of residue 546
VAL
Atom CA of residue 117
VAL
PRO
Atom CA of residue 565
TRP
Atom CA of residue 185
Atom CA of residue 563
Atom CG of residue 526
Atom CE of residue 30
PHE
LYS
Atom CA of residue 131
PHE
PHE
LYS
Atom CA of residue 288
VAL
Atom CA of residue 86
Atom CA of residue 22
Atom CA of residue 2673
GLN
Atom CB of residue 136
LEU
Atom CA of residue 137
Atom CA of residue 2674
Atom CA of residue 568
Atom CA of residue 118
ASN
Atom N of residue 147
HIS
Atom CA of residue 551
Atom O of residue 101
PRO
ALA
Atom CA of residue 90
Atom CA of residue 40
ASN
Atom CA of residue 68
Atom CE of residue 500
Atom CA of residue 406
MapReaderWriter2
Atom N of residue 72
Atom CB of residue 13
ILE
Atom OD2 of residue 549
ASP
Atom O of residue 83
Atom CA of residue 69
Atom CA of residue 534
Atom CG1 of residue 92
Atom CA of residue 64
Atom CG2 of residue 86
Atom CE1 of residue 68
LYS
Atom CA of residue 13
ARG
Atom CD1 of residue 81
Atom NE2 of residue 20
Atom N of residue 45
Atom CB of residue 84
GLU
Atom CG2 of residue 479
Atom NZ of residue 468
SER
Atom CA of residue 140
Atom CA of residue 54
Atom CA of residue 129
LEU
Atom CG of residue 39
Atom CB of residue 565
Atom CE of residue 48
Atom CG2 of residue 7
Atom CA of residue 37
Atom CA of residue 290
Atom CB of residue 33
SER
Atom CH2 of residue 104
Atom CA of residue 78
PRO
PRO
PHE
Atom SD of residue 76
ASN
Atom CA of residue 99
TYR
ALA
LYS
Atom N of residue 79
Atom CA of residue 331
ALA
ILE
ALA
LYS
Atom CA of residue 75
MET
Atom CA of residue 208
Atom CA of residue 527
Atom CA of residue 56
LEU
LYS
ASN
MapReaderWriter28
Atom CA of residue 65
ALA
Atom CA of residue 490
Atom CA of residue 90
ARG
Atom CA of residue 509
Atom CA of residue 505
Atom CA of residue 21
VAL
LYS
Atom CA of residue 31
GLU
Atom CA of residue 93
Atom CA of residue 117
Atom OE1 of residue 100
Atom CA of residue 477
P0
Atom O of residue 136
Atom CA of residue 148
ASP
Atom CB of residue 70
Atom CA of residue 2660
Atom CA of residue 33
Atom CA of residue 576
Atom N of residue 49
Atom CA of residue 119
Atom CA of residue 53
Atom CA of residue 40
Atom CA of residue 2646
ALA
Atom N of residue 574
Atom CA of residue 405
GLN
Atom CA of residue 129
LYS
Atom CD1 of residue 114
ALA
Atom CB of residue 52
Atom CB of residue 497
Atom CA of residue 535
VAL
Atom CA of residue 532
ARG
ASN
Atom CG of residue 53
TYR
Atom CA of residue 562
Atom N of residue 87
Atom CA of residue 446
Atom CA of residue 22
ILE
Atom CA of residue 40
Atom O of residue 151
Atom CG of residue 13
Model 7
SER
GLU
PHE
Atom CB of residue 434
Atom CA of residue 28
Atom CB of residue 90
Atom CD2 of residue 94
Atom CA of residue 94
ILE
Atom C of residue 31
Atom CA of residue 118
THR
Atom NZ of residue 30
Atom N of residue 480
Atom N of residue 469
ILE
Atom CB of residue 97
MapReaderWriter6
Atom CB of residue 101
DensityMap12
Atom CA of residue 67
Atom CA of residue 475
ASN
Atom CA of residue 336
Atom CG of residue 33
LEU
PHE
Atom CG of residue 62
ALA
Atom CA of residue 130
VAL
Atom CA of residue 452
Atom CE of residue 76
Atom CA of residue 38
GLU
Atom N of residue 43
Atom CG1 of residue 546
CYS
Atom CA of residue 132
ASP
GLU
Atom CD2 of residue 81
SER
PHE
ALA
Atom CG of residue 530
VAL
Atom NZ of residue 110
Atom CA of residue 360
Atom CA of residue 566
Atom CA of residue 128
Atom NZ of residue 500
Atom CA of residue 407
GLU
Atom CA of residue 138
Atom CA of residue 2634
Atom CG of residue 565
Atom CA of residue 122
Atom N of residue 8
ALA
SER
Atom CA of residue 291
Atom CA of residue 54
LEU
Atom N of residue 130
Atom CG of residue 77
GLU
Model 1
Atom CG of residue 92
Atom CA of residue 372
VAL
Atom CA of residue 364
Atom CA of residue 17
GLY
Atom CA of residue 105
Atom O of residue 125
Atom O of residue 114
Atom CA of residue 111
LEU
Atom CA of residue 87
GLU
Atom CA of residue 49
Atom CD1 of residue 53
Atom CA of residue 537
SER
LEU
Atom CD2 of residue 62
Atom CD of residue 526
Atom CB of residue 83
LEU
Atom CG of residue 52
Atom CA of residue 136
Atom CA of residue 317
TYR
Atom CA of residue 535
PRO
Atom CG of residue 84
Atom C of residue 131
MET
Atom CA of residue 444
ASP
Atom CA of residue 18
Atom N of residue 95
LYS
VAL
Atom OE2 of residue 100
Atom CB of residue 151
LEU
Atom CA of residue 75
Atom CA of residue 25
Atom CA of residue 123
Atom CA of residue 482
CYS
GLU
AccumulateRigidBodyDerivatives19
Atom CG1 of residue 434
PHE
THR
Atom N of residue 550
Atom CD of residue 77
Atom CA of residue 77
GLU
Atom CG2 of residue 92
ARG
GLY
VAL
VAL
Atom CA of residue 88
Atom CA of residue 31
Atom CG2 of residue 546
TYR
Atom CE2 of residue 68
Atom CA of residue 131
Atom CA of residue 543
Atom CD of residue 530
Atom CA of residue 45
Atom CA of residue 186
Atom CA of residue 564
Atom CA of residue 2634
ALA
VAL
Atom CA of residue 440
Atom CA of residue 10
Atom N of residue 111
Atom CB of residue 12
Atom CB of residue 125
Atom CB of residue 114
Atom N of residue 501
ASN
LYS
SER
Atom CA of residue 574
Atom CA of residue 30
LYS
Atom CA of residue 453
Atom CA of residue 510
Atom CA of residue 478
GLU
Atom CA of residue 289
GLN
Atom CA of residue 53
Atom CA of residue 95
Atom CA of residue 119
Atom CB of residue 145
LEU
Atom CA of residue 119
Atom CD1 of residue 92
Atom CA of residue 80
Atom N of residue 49
Atom CA of residue 552
GLU
Atom CA of residue 68
Atom CA of residue 149
LYS
PRO
Atom CA of residue 55
GLY
ILE
Atom C of residue 72
Atom CA of residue 27
Atom CD2 of residue 114
Atom CG of residue 497
Atom CA of residue 491
Atom CD of residue 118
PRO
SER
Atom CA of residue 82
VAL
Atom C of residue 117
Atom CD of residue 84
Atom CZ of residue 68
GLU
Atom OG of residue 70
Atom OE1 of residue 526
MET
Atom CG of residue 83
GLY
Atom N of residue 82
Atom CA of residue 88
Atom C of residue 49
Atom CA of residue 79
Atom CA of residue 118
PRO
Atom CA of residue 2675
Atom CA of residue 292
LYS
Atom N of residue 63
LEU
ILE
Atom O of residue 131
Atom CA of residue 332
Atom OD1 of residue 136
Atom CA of residue 41
LEU
ALA
LEU
Atom C of residue 136
TYR
SER
GLY
Atom CD of residue 13
LEU
PRO
VAL
Atom CA of residue 536
Atom CA of residue 94
Atom N of residue 93
GLY
LEU
Atom CA of residue 491
Atom CD2 of residue 53
Atom CA of residue 91
Atom CA of residue 20
Atom C of residue 25
PRO
Atom CA of residue 23
ASP
ARG
Atom CG2 of residue 434
LEU
Atom OH of residue 68
Atom CA of residue 206
SER
LYS
Atom CA of residue 209
Atom CA of residue 577
Atom CA of residue 406
GLU
Atom CB of residue 115
Atom CA of residue 120
Atom N of residue 102
Atom CG of residue 12
Atom CD of residue 33
Atom CA of residue 569
Atom CA of residue 139
Atom CA of residue 79
Atom CA of residue 478
VAL
PHE
VAL
PHE
Atom CA of residue 49
ASN
THR
TYR
GLY
Atom CG of residue 145
THR
LEU
THR
Atom CE of residue 118
Atom CA of residue 100
Atom CA of residue 563
PHE
Atom OD1 of residue 93
Atom N of residue 547
Atom O of residue 117
Atom CA of residue 2635
Atom C of residue 105
SER
ILE
CYS
Atom C of residue 453
Atom C of residue 478
Atom CA of residue 11
Atom N of residue 77
Atom N of residue 71
SER
LEU
Atom CA of residue 2661
Atom C of residue 80
Atom CD of residue 565
GLU
PRO
Atom CA of residue 87
GLN
Atom CG1 of residue 125
Atom CG of residue 114
Atom CA of residue 506
Atom CA of residue 408
GLY
Atom CA of residue 130
Atom CE of residue 530
Atom CA of residue 72
GLU
Atom CA of residue 55
Atom CA of residue 337
Atom CD1 of residue 497
Atom CD2 of residue 92
Atom CA of residue 373
Atom CA of residue 49
Atom CA of residue 44
Atom CA of residue 69
PHE
LYS
Atom CA of residue 39
Atom OE2 of residue 49
Atom CA of residue 447
Atom CA of residue 453
Atom N of residue 115
Atom CA of residue 550
Atom N of residue 88
Atom CA of residue 2647
Atom CA of residue 361
GLU
Atom C of residue 45
LYS
Atom CG of residue 151
Atom NE of residue 13
ARG
Atom CA of residue 567
GLU
LYS
Atom CA of residue 71
Atom CD of residue 52
Atom CA of residue 96
Atom O of residue 532
Atom CA of residue 365
Atom CA of residue 52
ILE
Atom O of residue 25
ALA
PRO
GLN
Atom O of residue 49
Atom CA of residue 538
Atom CA of residue 129
Atom CA of residue 293
ALA
Atom CA of residue 480
Atom CA of residue 469
ALA
ASP
LEU
Atom CA of residue 2635
GLN
Atom CA of residue 8
Atom CA of residue 529
THR
Atom CA of residue 27
Atom OD2 of residue 93
Atom NE of residue 33
GLY
Chain B
LYS
Atom CA of residue 318
GLN
Atom CA of residue 132
ARG
Atom CA of residue 56
LYS
ALA
Atom CA of residue 536
ASP
GLY
Atom NE1 of residue 53
Atom CA of residue 476
Atom CA of residue 441
Atom N of residue 69
Atom CA of residue 50
Atom N of residue 50
Atom CD of residue 48
Atom CA of residue 66
HIS
LEU
Atom CA of residue 76
Atom O of residue 478
Atom CA of residue 99
Atom CG of residue 83
Atom CA of residue 123
Atom CA of residue 49
Atom N of residue 101
Atom N of residue 435
Atom CG of residue 136
VAL
Atom CA of residue 95
Atom CA of residue 131
Atom CA of residue 119
GLU
THR
ASP
Atom CA of residue 290
Atom O of residue 136
Atom CA of residue 58
Atom C of residue 87
SER
Atom CA of residue 544
Atom ND1 of residue 83
Atom CD of residue 151
HIS
Atom CD1 of residue 513
Atom N of residue 53
Atom CA of residue 124
GLN
Atom C of residue 49
Atom CE of residue 565
Atom N of residue 85
SER
Atom CA of residue 575
THR
Atom CA of residue 511
GLU
Atom NZ of residue 530
Atom O of residue 45
Atom CA of residue 24
GLN
Atom OE2 of residue 526
Atom O of residue 122
LYS
Atom NZ of residue 118
CYS
Atom CA of residue 150
SER
Atom CA of residue 409
Atom CA of residue 56
Atom CA of residue 2674
GLU
Atom C of residue 79
LEU
ARG
Atom CA of residue 445
SER
Atom CA of residue 51
ALA
Atom CA of residue 78
Atom N of residue 93
Atom CA of residue 492
Atom CB of residue 49
Atom O of residue 105
GLN
TYR
Atom CA of residue 580
Atom CG2 of residue 125
Atom CD1 of residue 114
Atom CA of residue 83
Atom CA of residue 483
LEU
Atom O of residue 72
VAL
Atom CA of residue 23
Atom O of residue 453
Atom CA of residue 388
Atom CA of residue 187
ARG
CYS
LEU
Atom CA of residue 19
PRO
Atom CB of residue 18
Atom CA of residue 207
Atom C of residue 480
Atom C of residue 469
Atom C of residue 130
GLN
TYR
Atom C of residue 8
Atom CA of residue 333
GLY
Atom CA of residue 2676
Atom CA of residue 43
SER
Atom CA of residue 565
Atom CA of residue 2662
Atom O of residue 80
Atom CE of residue 48
Atom CA of residue 10
Atom CA of residue 42
Atom CB of residue 8
Atom CA of residue 294
GLU
Atom CB of residue 25
GLY
SER
Atom N of residue 94
Atom CA of residue 120
ALA
Atom CA of residue 70
Atom CD of residue 145
Atom CA of residue 553
Atom CA of residue 102
GLU
LYS
Atom CA of residue 77
ASN
ILE
Atom C of residue 550
Atom CA of residue 32
Atom CA of residue 408
Atom CA of residue 484
Atom CA of residue 9
Atom O of residue 79
ASN
PRO
ASN
Atom CE2 of residue 53
GLU
PRO
Atom CA of residue 111
Atom CA of residue 105
Atom CA of residue 39
Atom C of residue 95
ALA
GLY
Atom CD2 of residue 497
ARG
VAL
Atom CD2 of residue 83
Atom CA of residue 66
Atom OD2 of residue 136
Atom CA of residue 268
Atom CA of residue 210
Atom CB of residue 136
Atom O of residue 49
Atom CA of residue 80
Atom CA of residue 479
Atom CB of residue 8
Atom CB of residue 131
LYS
CYS
Atom CB of residue 478
Atom CA of residue 501
HIS
Atom CA of residue 63
Atom CA of residue 2663
Atom CA of residue 95
Atom N of residue 527
Atom CA of residue 82
ILE
TYR
GLU
Atom CA of residue 547
PHE
Atom N of residue 119
ASN
Atom CA of residue 542
SER
ASP
TRP
Atom OE1 of residue 151
Atom CA of residue 492
PRO
Atom CA of residue 92
Atom CD2 of residue 114
Atom CA of residue 507
Atom CA of residue 338
PRO
SER
TRP
GLY
Atom O of residue 130
ARG
LEU
ALA
Atom CA of residue 45
Atom CZ of residue 13
Atom CA of residue 477
Atom CB of residue 453
Fit restraint internal rb map
PRO
THR
Atom N of residue 531
LYS
LYS
Atom CA of residue 578
mol_1 rigid body rigid body positions
ASP
Atom C of residue 49
Atom CA of residue 93
Atom CA of residue 121
Atom CG of residue 8
GLU
SER
Atom CA of residue 2637
Atom CA of residue 30
Atom CA of residue 362
Atom CA of residue 56
ASN
Atom CA of residue 115
GLU
LEU
ASP
Atom OE1 of residue 145
Atom CB of residue 80
TYR
LYS
GLU
Atom CA of residue 2649
Atom CD1 of residue 125
Atom CZ of residue 33
Atom CA of residue 22
Atom CG1 of residue 25
Atom N of residue 46
LEU
Atom O of residue 550
Atom CA of residue 366
Atom CB of residue 105
Atom N of residue 132
ASN
Atom CZ3 of residue 53
Atom CA of residue 24
Atom CA of residue 69
Atom O of residue 24
ASP
PRO
Atom CA of residue 55
Atom CA of residue 71
Atom CA of residue 374
Atom NZ of residue 565
Atom CA of residue 454
Atom CA of residue 54
Atom CA of residue 564
Atom CA of residue 208
PHE
Atom CA of residue 125
Atom CB of residue 72
Atom CA of residue 44
Atom N of residue 498
Atom CA of residue 319
Atom CA of residue 2636
THR
Atom O of residue 87
Atom CA of residue 295
SER
Atom CG1 of residue 136
Atom CA of residue 570
Atom CA of residue 251
VAL
ALA
Atom O of residue 120
Atom C of residue 102
Atom C of residue 111
Atom CA of residue 446
Atom OG of residue 478
MET
Atom CA of residue 121
ALA
ILE
ILE
Atom C of residue 71
PRO
Atom CA of residue 484
Atom CA of residue 33
SER
Atom CB of residue 79
Atom CA of residue 85
ARG
VAL
Atom O of residue 8
VAL
Atom CA of residue 539
ARG
ILE
ALA
Atom CA of residue 454
Atom CA of residue 568
Atom CA of residue 106
Atom O of residue 480
Atom O of residue 469
Atom CA of residue 531
Atom CG1 of residue 89
Atom CZ of residue 87
Atom CA of residue 124
GLU
Atom CA of residue 442
Atom C of residue 82
Atom CA of residue 410
Atom CA of residue 4
Atom C of residue 547
Atom N of residue 50
Atom CA of residue 120
Atom CA of residue 101
ALA
Atom NH1 of residue 13
Atom CA of residue 74
ASP
Atom CA of residue 133
Atom CB of residue 550
Atom CA of residue 566
Atom CB of residue 49
Atom O of residue 49
ASP
GLN
LEU
PHE
SER
GLY
Atom C of residue 501
Atom CA of residue 291
Atom NE of residue 77
Atom CA of residue 89
SER
HIS
Atom CA of residue 537
Atom CA of residue 554
Atom C of residue 93
LYS
THR
Atom CB of residue 87
Atom NH1 of residue 33
Atom CA of residue 25
LEU
Atom CA of residue 50
Atom CA of residue 2675
Atom NZ of residue 48
Atom CA of residue 3
Atom CD of residue 105
Atom CA of residue 119
Atom NE2 of residue 151
ALA
Atom CB of residue 24
Atom CA of residue 53
THR
Atom CB of residue 130
Atom CA of residue 79
Atom O of residue 547
Atom CA of residue 493
THR
GLU
Atom NE of residue 8
Atom CA of residue 389
Atom CA of residue 84
LYS
Atom CA of residue 48
Atom CA of residue 97
Atom OE2 of residue 145
ARG
Atom O of residue 90
Atom CA of residue 435
THR
SER
GLU
LEU
Atom O of residue 95
Atom C of residue 115
Atom CA of residue 188
Atom CA of residue 96
Atom CB of residue 148
LEU
LEU
SER
Atom O of residue 501
Atom CZ of residue 77
HIS
Atom N of residue 566
Atom O of residue 102
Atom CA of residue 55
Atom CA of residue 13
Atom CA of residue 512
Atom CA of residue 94
GLY
Atom CA of residue 72
Atom CA of residue 545
Atom CA of residue 46
LEU
Atom CE1 of residue 83
GLY
Atom CA of residue 132
Atom CB of residue 120
Atom N of residue 9
LEU
Atom CA of residue 151
Atom CB of residue 480
Atom CB of residue 469
Atom C of residue 498
MapReaderWriter42
Atom CA of residue 576
Atom CE3 of residue 53
Atom O of residue 82
Atom CA of residue 296
Atom CA of residue 211
Atom CA of residue 52
Atom CA of residue 571
GLU
ASP
Atom N of residue 49
Atom CA of residue 409
SER
Atom CA of residue 57
ILE
Atom CG2 of residue 136
VAL
Atom CG of residue 49
ASN
Atom CA of residue 70
Atom CA of residue 67
Atom OG of residue 453
Atom CA of residue 13
Atom CA of residue 19
Atom CD1 of residue 62
Atom CA of residue 97
Atom CA of residue 93
Atom CG1 of residue 148
Atom N of residue 115
SER
Atom CA of residue 480
SER
Atom CA of residue 43
Atom CA of residue 565
TYR
Atom O of residue 111
ILE
LYS
Atom CB of residue 95
THR
Atom C of residue 46
LYS
Atom CB of residue 83
Atom N of residue 152
Atom CA of residue 17
Atom CA of residue 448
ALA
Atom N of residue 126
Atom CA of residue 38
Atom O of residue 115
ALA
Atom CG of residue 550
TYR
Atom CA of residue 485
GLY
Atom CA of residue 4
TYR
Atom CA of residue 2677
Atom CA of residue 339
ALA
Atom C of residue 50
Atom CA of residue 34
GLU
Atom CG of residue 80
Atom C of residue 101
Atom CA of residue 46
Atom CA of residue 493
SER
Atom CA of residue 93
Atom C of residue 53
Atom CG2 of residue 25
Atom CA of residue 375
Atom N of residue 73
Atom CG of residue 79
Atom C of residue 85
Atom C of residue 132
Atom CG of residue 87
Atom CA of residue 478
Atom CG of residue 59
MET
SER
ASN
PRO
Atom CA of residue 68
GLU
ALA
Atom O of residue 93
Atom CA of residue 122
Atom CA of residue 19
Atom CA of residue 10
Atom CA of residue 455
Atom CA of residue 363
VAL
ARG
LEU
LYS
DensityMap27
LEU
MET
Atom CG of residue 105
ALA
Atom C of residue 435
Atom CA of residue 540
Atom CA of residue 57
GLY
Atom CA of residue 252
THR
Atom NE2 of residue 83
python stream rigid body rigid body positions
Atom CA of residue 367
/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/input/in.mrc
Atom CB of residue 49
ALA
GLY
LEU
THR
Atom CA of residue 8
Atom CA of residue 81
Atom N of residue 454
ALA
Atom N of residue 479
Atom N of residue 146
Atom CA of residue 55
GLY
Atom CA of residue 527
GLN
GLY
Atom CB of residue 501
ILE
GLY
Atom CA of residue 434
Atom CA of residue 126
LYS
Atom CA of residue 320
Atom CA of residue 2637
LEU
Atom CA of residue 37
PRO
Atom CG of residue 130
GLU
Atom CG2 of residue 148
Atom CA of residue 50
LEU
Atom O of residue 7
GLY
Atom CA of residue 508
Atom CA of residue 49
Atom CB of residue 102
Atom CA of residue 134
THR
Atom CZ2 of residue 53
Atom CA of residue 541
Atom NH2 of residue 13
Atom CB of residue 111
Atom CA of residue 447
Atom CA of residue 297
PHE
Atom CA of residue 122
Atom CA of residue 4
Atom C of residue 93
Atom CD of residue 80
LYS
Atom CG of residue 83
LYS
Atom CA of residue 157
Atom C of residue 69
Atom CB of residue 82
GLN
Atom CA of residue 141
VAL
Atom CA of residue 237
Atom N of residue 26
Atom CD1 of residue 136
GLU
Atom CA of residue 498
Atom CA of residue 2636
THR
Atom CD of residue 79
PHE
Atom CA of residue 449
Atom CA of residue 569
ALA
Atom CA of residue 443
Atom NH2 of residue 33
Atom O of residue 71
Atom CA of residue 27
Atom CB of residue 547
THR
Atom O of residue 85
Atom OG1 of residue 24
THR
Atom OG of residue 95
Atom CA of residue 546
Atom CG of residue 34
Atom CA of residue 572
Atom CA of residue 567
Atom CA of residue 56
LYS
ALA
GLU
Atom CG1 of residue 45
Atom CA of residue 90
TYR
LEU
Atom CA of residue 577
Atom O of residue 435
GLY
ASN
ARG
VAL
/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
Atom CA of residue 11
Atom CA of residue 538
Atom OE1 of residue 105
Atom CG of residue 49
Atom CA of residue 555
Atom CB of residue 93
ASP
ALA
LYS
ARG
Atom CA of residue 2648
Atom C of residue 10
GLY
ARG
Atom CA of residue 143
Atom CA of residue 292
Atom N of residue 116
Atom CA of residue 58
Atom CA of residue 98
Atom CA of residue 26
ASN
Atom CG of residue 120
Atom CA of residue 452
LEU
Atom CG of residue 480
Atom N of residue 470
Atom CA of residue 38
LYS
LYS
Atom C of residue 119
Atom C of residue 94
ASN
LEU
Atom CA of residue 390
Atom N of residue 502
Atom CA of residue 121
MET
Atom CD1 of residue 34
Atom CA of residue 575
ILE
Atom C of residue 527
Atom CA of residue 584
Atom CA of residue 125
GLY
Atom CA of residue 494
Atom CD1 of residue 87
ILE
Atom O of residue 69
VAL
Atom CA of residue 486
Atom CA of residue 2676
THR
GLU
Atom N of residue 14
GLU
VAL
SER
Atom CA of residue 2678
Atom CD of residue 130
Atom O of residue 93
Atom CD of residue 49
Atom OE2 of residue 105
Atom OE1 of residue 83
Atom CG of residue 82
Atom O of residue 10
Atom CA of residue 513
Atom CA of residue 115
Atom CA of residue 142
GLU
TYR
Atom C of residue 531
Atom O of residue 50
Atom CA of residue 152
Atom CG2 of residue 24
GLU
Atom C of residue 569
mol1
Atom CA of residue 19
Atom CA of residue 35
PRO
Atom N of residue 34
Atom CG2 of residue 45
ALA
ALA
Atom CA of residue 298
Atom CB of residue 71
Atom O of residue 53
Atom NE of residue 80
mol_3 rigid body rigid body positions
Atom CA of residue 102
SER
PRO
Atom CA of residue 72
Atom CA of residue 5
Atom O of residue 94
VAL
Atom CA of residue 212
ALA
ILE
Atom CA of residue 80
Atom CA of residue 494
Atom CD1 of residue 120
Atom CG of residue 102
ASP
Atom CA of residue 68
Atom CA of residue 85
Atom CD1 of residue 480
LYS
CYS
Atom CA of residue 580
ARG
Atom CD2 of residue 12
Atom OG of residue 435
Atom O of residue 119
Atom CA of residue 566
VAL
GLY
GLY
Atom CA of residue 189
Atom CA of residue 468
HIS
Atom N of residue 149
Atom CG of residue 547
Atom CA of residue 61
Atom C of residue 50
PRO
Atom CA of residue 340
VAL
GLU
Atom CD2 of residue 34
DensityMap1071
PRO
Atom CA of residue 73
ILE
Atom N of residue 59
Atom CA of residue 561
Atom CA of residue 37
Atom O of residue 132
Atom CA of residue 68
Atom CA of residue 57
Atom CA of residue 47
ALA
Atom CA of residue 509
Atom CA of residue 109
ASP
VAL
Atom CA of residue 49
Atom N of residue 84
GLY
ALA
/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/input/in.em
PHE
Atom CA of residue 479
LEU
GLN
Atom OE1 of residue 49
Atom CD2 of residue 87
LEU
Atom CG of residue 111
Atom CA of residue 364
Atom CA of residue 144
ALA
Atom N of residue 96
VAL
Atom CB of residue 50
ASN
ARG
Atom CA of residue 456
Atom CB of residue 53
Atom N of residue 137
SER
Atom CA of residue 2664
Atom CA of residue 368
Atom CA of residue 486
Atom CB of residue 85
Atom O of residue 101
ARG
LEU
ILE
Atom CA of residue 126
Atom CA of residue 58
Atom CD1 of residue 45
LYS
Atom CA of residue 152
Atom CA of residue 142
PHE
Atom CD1 of residue 550
Atom CA of residue 376
Atom CA of residue 482
LEU
ILE
LYS
Atom O of residue 498
Atom CA of residue 321
LEU
Atom O of residue 527
VAL
ILE
Atom CD of residue 83
Atom OD1 of residue 102
ALA
LEU
Atom N of residue 80
Atom N of residue 436
Atom CA of residue 479
Atom CB of residue 69
GLY
Atom CA of residue 454
ARG
ASN
Atom CB of residue 93
THR
Atom CA of residue 55
Atom CH2 of residue 53
Atom CA of residue 94
Atom N of residue 25
ILE
Atom CA of residue 50
Atom N of residue 35
VAL
Atom CA of residue 6
Atom CA of residue 48
Atom C of residue 73
Atom O of residue 115
ILE
Atom CA of residue 450
Atom CD of residue 111
GLU
ASP
Atom O of residue 531
Atom CA of residue 405
Atom CA of residue 100
Atom CA of residue 469
Atom CA of residue 253
ARG
Atom O of residue 50
Atom CD of residue 49
LEU
Atom CA of residue 123
Atom CA of residue 299
Atom OG of residue 71
Atom CA of residue 99
Atom CA of residue 2638
Atom CA of residue 126
Atom CB of residue 101
Chain  
Atom CA of residue 46
Atom CA of residue 579
Atom CA of residue 73
Atom CB of residue 94
TYR
Atom CA of residue 201
Atom N of residue 499
Atom CZ of residue 80
PRO
SER
Atom CA of residue 5
Atom CD2 of residue 120
VAL
Atom CA of residue 444
Atom C of residue 115
GLN
PHE
ARG
Atom CA of residue 26
Atom CA of residue 127
Atom CA of residue 2677
VAL
Atom CA of residue 83
SampledDensityMap18
THR
Atom CA of residue 42
Atom C of residue 126
Atom CA of residue 293
Atom CA of residue 547
PRO
Atom CA of residue 35
Atom C of residue 49
LEU
Atom CB of residue 132
ASP
Atom CB of residue 483
Atom CA of residue 116
Atom CA of residue 137
Atom CD2 of residue 550
Atom O of residue 73
Atom CG of residue 85
Atom CG2 of residue 8
Atom CA of residue 578
Atom CA of residue 24
Atom CA of residue 448
VAL
Atom CD2 of residue 480
Atom OE1 of residue 130
VAL
LEU
LEU
PRO
Atom CA of residue 59
Atom OE2 of residue 49
GLU
PRO
ASP
HIS
THR
VAL
PHE
Atom CA of residue 134
Atom CA of residue 391
Atom CA of residue 587
ILE
Atom CA of residue 435
Atom CG of residue 50
Atom CA of residue 81
Atom CA of residue 495
Atom OE2 of residue 83
Atom CB of residue 119
Atom C of residue 152
GLN
Atom CD1 of residue 82
GLN
SER
Atom CA of residue 139
Atom CA of residue 86
Atom CG of residue 53
Atom CA of residue 91
Atom CA of residue 2678
GLY
ALA
Atom CA of residue 122
Atom CA of residue 570
Atom CA of residue 190
LYS
Atom CA of residue 568
Atom CB of residue 527
Atom CG of residue 93
VAL
Atom NH1 of residue 8
LEU
Atom C of residue 137
Atom CA of residue 487
Atom CA of residue 27
VAL
GLY
Atom C of residue 454
Atom CA of residue 2679
Atom C of residue 479
GLU
Atom CA of residue 57
1z5s_A.pdb
Atom CB of residue 498
Atom OE1 of residue 49
Atom CA of residue 556
Atom OD2 of residue 102
Atom CA of residue 69
Atom CA of residue 58
PRO
Atom CD of residue 547
Atom C of residue 48
THR
Atom CA of residue 44
Atom CA of residue 2665
Atom NH1 of residue 80
Atom CA of residue 539
Atom CA of residue 495
Atom N of residue 54
Atom O of residue 115
GLN
Atom CA of residue 14
GLU
LEU
Atom CA of residue 487
Atom OE1 of residue 111
PRO
Atom CG1 of residue 469
THR
Atom CB of residue 531
Atom CA of residue 2629
Atom CD2 of residue 446
Atom CA of residue 94
GLU
Atom CA of residue 300
ASP
Atom N of residue 72
Atom C of residue 26
ASP
Atom CA of residue 26
GLU
Atom CA of residue 451
Atom CA of residue 74
LEU
Atom O of residue 126
Atom CA of residue 213
SER
Atom NE2 of residue 130
Atom CA of residue 35
Atom CA of residue 573
Atom CA of residue 70
PHE
Atom CE1 of residue 87
Atom CG of residue 69
Atom CD2 of residue 82
Atom CA of residue 140
Atom CA of residue 341
Atom CA of residue 502
Atom C of residue 116
THR
PHE
TYR
Atom CA of residue 432
Atom CA of residue 62
Atom CA of residue 51
Atom CD1 of residue 97
Atom N of residue 121
Atom CA of residue 483
Atom CG1 of residue 41
Atom CA of residue 48
Atom CA of residue 14
GLN
PHE
PRO
LEU
Atom CA of residue 454
Atom CA of residue 22
SER
GLN
Atom CG of residue 132
Atom CG1 of residue 119
Atom CA of residue 95
Atom CA of residue 514
Atom CA of residue 510
Atom CA of residue 377
Atom N of residue 106
Atom CA of residue 37
Atom CA of residue 153
Atom CA of residue 365
PHE
GLY
Atom CE1 of residue 480
PRO
VAL
HIS
Atom N of residue 102
Atom CA of residue 124
ALA
HIS
Atom CG1 of residue 94
Atom CA of residue 34
ILE
Atom CA of residue 369
Atom CA of residue 80
GLU
LEU
Atom O of residue 479
LEU
Atom C of residue 35
SER
Atom N of residue 50
LEU
Atom CA of residue 103
Atom CA of residue 567
ASN
Atom CA of residue 140
Atom CA of residue 27
Atom CD of residue 50
GLU
Atom O of residue 48
SER
Atom CA of residue 322
Atom CA of residue 7
ALA
Atom CA of residue 45
Atom N of residue 9
VAL
PRO
Atom CA of residue 149
Atom O of residue 49
ASP
Atom CA of residue 25
LEU
Atom CA of residue 202
ALA
Atom CD1 of residue 53
Atom CG of residue 498
ARG
LEU
Atom CA of residue 59
Atom CB of residue 88
Atom CA of residue 480
Atom CD of residue 69
HIS
GLN
ARG
Atom OE1 of residue 547
Atom CA of residue 84
Atom CG2 of residue 41
Atom O of residue 152
Atom CA of residue 457
Atom CG2 of residue 469
Atom CA of residue 436
Atom CA of residue 44
Atom CA of residue 406
Atom CA of residue 569
Atom OD1 of residue 85
Atom CA of residue 84
HIS
MET
ASN
VAL
ASP
Atom CA of residue 254
Atom C of residue 51
Atom CB of residue 73
ASN
LYS
Atom CA of residue 571
LYS
Atom CA of residue 92
CYS
Atom CA of residue 127
Atom CA of residue 542
Atom NH2 of residue 8
Atom CA of residue 301
Atom CG2 of residue 94
Atom CA of residue 59
ARG
Atom CA of residue 96
PRO
LEU
MET
Atom C of residue 14
Atom CA of residue 75
Atom CA of residue 135
Atom CE2 of residue 480
ILE
Atom CA of residue 128
Atom O of residue 137
Atom O of residue 35
Atom CA of residue 93
Atom CA of residue 36
ARG
Atom CA of residue 481
Atom CB of residue 435
Atom CG2 of residue 119
LYS
Atom CA of residue 69
Atom CE1 of residue 82
Atom CA of residue 528
Model 3
Atom CG of residue 527
VAL
Atom N of residue 84
ASP
Atom N of residue 116
GLY
Atom N of residue 532
Atom CA of residue 28
Chain C
Atom CA of residue 2639
ARG
Atom CA of residue 540
Atom C of residue 106
Atom NE2 of residue 111
Atom CA of residue 449
Atom CA of residue 516
THR
Atom CA of residue 41
SampledDensityMap5
Atom CA of residue 80
Atom C of residue 34
Atom CA of residue 294
Atom CE1 of residue 550
Atom NE of residue 50
ARG
Atom CA of residue 467
Atom OD1 of residue 93
Atom O of residue 51
GLN
GLU
Atom CA of residue 392
Atom CA of residue 133
TRP
Atom CA of residue 93
ASP
Atom CA of residue 9
Atom N of residue 103
ASN
Atom CG of residue 88
Atom CD2 of residue 6
Atom CB of residue 126
GLY
Atom CA of residue 2629
Atom CA of residue 496
Atom OE2 of residue 49
Atom SG of residue 93
Atom CA of residue 18
THR
HIS
ARG
Atom CA of residue 87
Atom C of residue 502
Atom CD2 of residue 53
Atom CA of residue 485
Atom CA of residue 574
ASP
ASP
Atom CA of residue 582
LYS
Atom CA of residue 25
Atom CA of residue 548
Atom CA of residue 191
Atom CA of residue 569
Atom CA of residue 2667
Atom C of residue 149
Atom NH2 of residue 80
Atom CB of residue 49
SER
Atom CD of residue 132
Atom CB of residue 152
Atom CA of residue 445
Atom O of residue 26
Atom CB of residue 48
Atom ND2 of residue 85
PRO
PHE
Atom CA of residue 20
Atom CB of residue 454
LYS
TRP
Atom CA of residue 72
GLU
Atom CA of residue 148
Atom CA of residue 84
Atom C of residue 84
Atom CA of residue 557
Atom CA of residue 154
ILE
Atom O of residue 116
ALA
Atom N of residue 131
Atom CA of residue 60
SER
GLY
Atom C of residue 80
LYS
Atom N of residue 70
Atom CB of residue 479
HIS
Atom OD1 of residue 527
Atom N of residue 120
LYS
ASN
Atom CA of residue 214
Atom CA of residue 488
Atom CA of residue 581
Atom C of residue 96
Atom CA of residue 54
Atom CE2 of residue 550
Atom OD2 of residue 93
Atom OG1 of residue 73
ARG
ILE
ASN
TYR
PRO
VAL
Atom CA of residue 58
Atom SD of residue 498
Atom CA of residue 123
ARG
Atom CA of residue 37
Atom N of residue 112
Atom CA of residue 518
Atom CA of residue 302
Atom CA of residue 2680
Atom CA of residue 42
Atom CA of residue 342
Atom O of residue 98
THR
Atom CA of residue 54
LEU
Atom O of residue 502
ILE
Atom CB of residue 26
Atom CB of residue 137
ILE
THR
Atom NE2 of residue 547
Atom CA of residue 138
Atom O of residue 14
LYS
GLU
Atom CG of residue 126
ARG
GLY
Atom N of residue 81
ARG
Atom N of residue 50
Atom CA of residue 60
LYS
Atom CA of residue 96
Atom CA of residue 336
Atom CE2 of residue 82
Atom CA of residue 366
MET
Atom CA of residue 48
TRP
ALA
GLN
ARG
Atom N of residue 7
Chain D
Atom CA of residue 85
Atom O of residue 149
Atom CA of residue 370
Atom N of residue 94
Atom CA of residue 125
Atom O of residue 34
Atom CB of residue 116
Atom CA of residue 134
TYR
SER
Atom CA of residue 433
Atom CG of residue 48
Atom CA of residue 149
VAL
Atom OG of residue 454
Atom C of residue 25
SER
Atom CA of residue 60
ARG
GLN
Atom CB of residue 35
ALA
Atom O of residue 84
MET
HIS
Atom C of residue 102
Atom CA of residue 568
Atom CA of residue 238
Atom CA of residue 532
Atom CA of residue 323
PHE
Atom CA of residue 378
Atom O of residue 80
CYS
Atom CG1 of residue 479
Atom C of residue 148
SER
ASP
Atom C of residue 84
PRO
Atom OE1 of residue 132
LEU
GLU
ARG
Atom CA of residue 511
Atom CA of residue 131
LEU
Atom CA of residue 130
Atom CA of residue 63
Atom CA of residue 98
Atom CA of residue 121
PRO
Atom N of residue 42
Atom CA of residue 8
Atom CA of residue 328
Atom CA of residue 71
Atom CA of residue 28
Atom CZ of residue 480
Atom O of residue 97
GLN
python stream
Atom CD of residue 88
ARG
Atom CD1 of residue 94
Atom CA of residue 140
Atom CA of residue 203
TYR
Atom CA of residue 29
Atom CA of residue 2666
Atom N of residue 51
Atom CG of residue 6
Atom CA of residue 458
Atom C of residue 72
Atom CA of residue 142
Atom CG of residue 35
Atom OD2 of residue 527
Atom CG2 of residue 73
Atom C of residue 532
PRO
Atom CA of residue 255
Atom CA of residue 2640
VAL
Atom CA of residue 139
Atom CA of residue 543
LYS
Atom CA of residue 572
Atom O of residue 25
PHE
ALA
LEU
Atom CA of residue 45
Atom CZ of residue 550
GLU
Atom O of residue 148
Atom N of residue 94
Atom CA of residue 50
Atom CA of residue 21
Atom C of residue 54
Atom CA of residue 446
Atom CZ of residue 82
Atom CA of residue 139
Atom CE of residue 498
LYS
Atom CZ of residue 50
Atom CA of residue 470
Atom CA of residue 37
Atom N of residue 19
ALA
Atom CB of residue 14
LEU
Atom CA of residue 303
PRO
THR
Atom CB of residue 98
Atom CA of residue 437
Atom CA of residue 407
GLN
LYS
ARG
Atom CA of residue 137
Atom N of residue 27
ALA
ASP
GLY
Atom N of residue 548
Atom N of residue 50
SER
Atom N of residue 153
Atom NE1 of residue 53
VAL
LEU
VAL
Atom CA of residue 541
Atom CA of residue 106
Atom O of residue 102
Atom CA of residue 61
Atom CA of residue 481
Atom CA of residue 337
SER
ILE
Atom CA of residue 393
Atom CB of residue 34
Atom CB of residue 502
Atom CA of residue 17
ARG
ARG
LYS
Atom O of residue 96
Atom CA of residue 295
PRO
Atom N of residue 86
Atom CA of residue 128
SER
SER
Atom N of residue 95
Atom CA of residue 2630
GLY
GLN
TRP
Atom CA of residue 124
GLY
LEU
Atom NZ of residue 481
Atom N of residue 481
Atom CA of residue 456
Atom O of residue 72
Atom CG of residue 137
Atom CD of residue 35
Atom CA of residue 496
MET
Atom CA of residue 4
Atom CA of residue 123
LEU
Atom N of residue 89
Fit restraint scratch map
THR
Atom CA of residue 81
Atom CA of residue 549
Atom CA of residue 438
Atom CG of residue 149
GLN
Atom CB of residue 84
Atom C of residue 121
ASP
GLN
GLN
Atom CA of residue 116
Atom CA of residue 2679
Atom CA of residue 432
Atom CA of residue 583
HIS
ILE
LEU
GLN
Atom CA of residue 59
GLN
Atom NH1 of residue 50
TYR
GLY
Atom CA of residue 143
Atom CA of residue 155
ALA
Atom CA of residue 20
Atom CA of residue 29
Atom CA of residue 61
Atom CA of residue 70
Atom CA of residue 26
Atom CA of residue 450
Atom O of residue 454
Atom CD of residue 126
Atom CA of residue 79
ILE
GLU
Atom CA of residue 497
THR
Atom C of residue 47
LYS
ASN
GLY
Atom CA of residue 88
PRO
LEU
Atom CE2 of residue 53
Atom CA of residue 143
Atom C of residue 50
Atom CB of residue 80
LYS
Atom CA of residue 9
Atom CA of residue 453
PRO
Atom CA of residue 192
VAL
Atom N of residue 528
ARG
ARG
Atom CB of residue 25
Atom CA of residue 343
PHE
LEU
Atom CA of residue 215
GLU
ILE
Atom CA of residue 2681
ALA
Atom OH of residue 550
PHE
Atom CA of residue 570
Atom O of residue 570
ILE
Atom CA of residue 64
Atom O of residue 84
Atom OE2 of residue 132
CoarseCC1
Atom O of residue 54
Atom CA of residue 304
Atom CA of residue 154
Atom CB of residue 96
Atom C of residue 131
Atom OE1 of residue 35
Atom CD of residue 48
Atom CA of residue 581
VAL
Atom CA of residue 51
Atom CA of residue 367
GLU
Atom CG2 of residue 479
THR
ARG
Atom CA of residue 379
Atom CA of residue 558
Atom CA of residue 42
1tdx.pdb
Atom CA of residue 71
LEU
Atom C of residue 116
Atom CG1 of residue 116
PRO
Atom CA of residue 371
Atom CA of residue 489
PRO
Atom CA of residue 338
Atom C of residue 9
UpdateRigidBodyMembers3
Atom CA of residue 471
Atom CD of residue 149
Atom CA of residue 81
Atom CG of residue 84
Atom CA of residue 7
Atom O of residue 121
ARG
Atom CA of residue 10
UpdateRigidBodyMembers16
VAL
Atom CA of residue 55
Atom CD1 of residue 137
Atom CA of residue 86
ALA
Atom CA of residue 437
Atom CA of residue 112
THR
Atom OE1 of residue 126
ASN
Atom CA of residue 61
LEU
LEU
PHE
Atom CA of residue 152
ASP
Atom CB of residue 570
MET
Model 37
Atom O of residue 98
GLU
Atom CA of residue 457
Atom C of residue 61
THR
Atom C of residue 103
Atom CA of residue 120
PHE
SER
CYS
Atom N of residue 74
GLU
Atom CA of residue 329
Atom CA of residue 97
GLU
Atom CA of residue 512
Atom CG of residue 502
Atom CA of residue 204
Atom CA of residue 46
Atom CB of residue 72
Atom O of residue 131
ARG
Atom O of residue 532
Atom O of residue 50
Atom CG of residue 80
ASN
Atom CA of residue 47
Atom OG1 of residue 14
Atom CA of residue 482
SER
Atom C of residue 70
Atom CA of residue 4
Atom CG of residue 98
GLY
Atom NH2 of residue 50
THR
LEU
SER
LYS
Atom CA of residue 50
LEU
ILE
Atom CA of residue 50
Atom O of residue 47
Atom CA of residue 126
Atom N of residue 133
Atom CA of residue 62
Atom N of residue 83
GLY
ASP
Chain B
Atom CE of residue 48
Atom CA of residue 150
THR
ILE
CYS
SER
Atom CA of residue 94
ALA
LEU
Atom N of residue 103
Atom CA of residue 84
Atom CA of residue 153
ALA
Atom CG of residue 34
ILE
Atom CE3 of residue 53
GLN
Atom CA of residue 2641
Atom C of residue 120
VAL
Atom N of residue 480
GLU
Atom OE2 of residue 35
GLN
Atom CA of residue 569
Atom CA of residue 447
Atom C of residue 154
Atom CG2 of residue 116
LYS
NormalizeRotation5
PRO
Atom O of residue 106
Atom CA of residue 78
Atom N of residue 5
GLY
Atom N of residue 551
PHE
Atom CA of residue 548
Atom CA of residue 5
Atom CB of residue 84
MET
Atom CB of residue 98
Atom O of residue 116
Atom CA of residue 305
Atom CD2 of residue 97
Atom CA of residue 296
Atom CA of residue 27
CYS
Atom CA of residue 434
Atom O of residue 61
LEU
ALA
Atom C of residue 97
Atom O of residue 103
Atom CA of residue 85
Atom CA of residue 544
AccumulateRigidBodyDerivatives5
Atom CA of residue 451
GLU
Atom CA of residue 248
Fit restraint internal rb map
Atom CA of residue 394
LYS
Atom C of residue 81
ALA
PRO
Atom CB of residue 54
Atom CG of residue 17
Atom CD1 of residue 502
GLY
LEU
VAL
PHE
LYS
Atom CG2 of residue 14
Atom CA of residue 339
PHE
Atom C of residue 112
Atom CA of residue 459
Atom CA of residue 573
Atom CG of residue 25
Atom CA of residue 408
Atom N of residue 36
SER
HIS
HIS
Atom CA of residue 256
Atom CB of residue 121
Atom CA of residue 125
Atom C of residue 42
ILE
Atom NE2 of residue 126
Atom CA of residue 438
Atom CA of residue 94
Atom CA of residue 30
Atom CA of residue 571
VAL
Atom CA of residue 31
ALA
LEU
ARG
GLY
Atom O of residue 70
LEU
Atom CA of residue 95
PHE
Atom CD1 of residue 34
Atom CA of residue 2680
Atom CA of residue 472
Atom CA of residue 19
Atom CB of residue 97
Atom CD of residue 98
Atom CA of residue 145
Atom CA of residue 576
Atom CA of residue 542
Atom C of residue 50
Atom CA of residue 559
SER
Atom CB of residue 102
Atom O of residue 123
Atom CA of residue 85
ALA
Atom CB of residue 532
Atom CB of residue 106
Atom CA of residue 144
ALA
THR
Atom CA of residue 21
Atom CB of residue 50
Atom CA of residue 38
Atom CA of residue 63
Atom CA of residue 82
Atom CA of residue 80
Atom CA of residue 38
Atom CA of residue 498
Atom NZ of residue 48
Atom CA of residue 47
ARG
HIS
Atom CA of residue 89
Atom CG1 of residue 96
Atom CA of residue 139
Atom CB of residue 131
Atom CA of residue 551
Atom CA of residue 497
Atom C of residue 31
Atom CA of residue 86
Atom CA of residue 454
Atom CD of residue 17
ASP
PHE
Atom CA of residue 136
Atom CA of residue 344
AccumulateRigidBodyDerivatives16
ALA
Atom CA of residue 193
Atom CA of residue 499
Atom CA of residue 76
SER
Atom CA of residue 133
GLU
GLN
Atom CD of residue 25
ALA
Atom CA of residue 481
TYR
Atom CA of residue 24
Atom CG of residue 72
Atom CZ2 of residue 53
GLU
Atom CD2 of residue 137
CYS
GLN
Atom CA of residue 2668
Atom C of residue 548
ASN
ARG
Atom CA of residue 216
Atom CA of residue 550
Atom CA of residue 87
LYS
VAL
Atom CD of residue 84
Atom CA of residue 65
ALA
LEU
Atom CA of residue 156
Atom CA of residue 368
VAL
Atom O of residue 154
PRO
Atom N of residue 51
Atom CA of residue 74
Atom CB of residue 103
GLY
LEU
ASP
Atom CG of residue 98
Atom CA of residue 306
Atom CA of residue 101
ALA
Atom CB of residue 149
Atom CB of residue 61
Atom CA of residue 372
Atom CG of residue 121
Atom N of residue 48
Atom O of residue 42
Atom C of residue 153
CYS
LEU
Atom CA of residue 56
Atom CA of residue 62
GLU
THR
Atom CA of residue 490
Atom CD of residue 80
SER
Atom CD2 of residue 502
Atom CG of residue 54
Atom N of residue 15
LEU
Atom CB of residue 548
Fit restraint scratch map
Atom CA of residue 570
Atom O of residue 112
Atom CA of residue 83
LEU
Atom C of residue 95
ALA
Atom CA of residue 153
ARG
ALA
Atom CA of residue 528
Atom CA of residue 380
Atom CG of residue 106
Atom CA of residue 10
Atom CG of residue 102
Atom CA of residue 151
Atom CB of residue 116
Atom CA of residue 205
Atom CG2 of residue 96
Atom CG of residue 50
LEU
Atom CG1 of residue 75
Atom O of residue 120
Atom CA of residue 75
Atom CA of residue 330
Atom CA of residue 29
Atom N of residue 127
GLU
Atom CA of residue 2682
Atom CD2 of residue 34
LEU
PHE
ASP
Atom CA of residue 473
Atom C of residue 94
Model 36
TYR
Atom C of residue 133
Atom CA of residue 48
LEU
Chain C
ASN
Atom CD of residue 72
Atom CA of residue 146
Atom CA of residue 36
Atom CA of residue 2642
Atom CA of residue 108
Atom CA of residue 545
Atom CA of residue 483
Atom CA of residue 438
Atom CB of residue 70
PHE
GLY
TYR
GLU
VAL
Atom N of residue 85
MET
Atom CG of residue 84
Atom O of residue 50
ARG
Atom CA of residue 127
GLY
Atom CA of residue 460
ILE
Atom CA of residue 23
Atom CD1 of residue 116
Atom CZ3 of residue 53
Atom CE1 of residue 137
Atom CA of residue 409
LEU
Atom C of residue 86
Atom CB of residue 123
Atom CA of residue 39
Atom CA of residue 62
VAL
TYR
HIS
Atom CA of residue 257
Atom CB of residue 76
Atom O of residue 81
ARG
LEU
LEU
Atom C of residue 481
python stream rigid body rigid body positions
Atom CA of residue 140
PHE
Atom C of residue 27
MET
Atom CA of residue 49
Atom CA of residue 2630
Atom CA of residue 4
PHE
Atom C of residue 19
LYS
Atom O of residue 153
Atom CD of residue 54
ALA
VAL
Atom CB of residue 154
Atom C of residue 499
ALA
Atom CA of residue 484
Atom O of residue 548
Atom CA of residue 508
Atom N of residue 81
ILE
Atom CA of residue 546
TYR
LYS
Atom O of residue 94
ARG
Atom CA of residue 249
Atom CA of residue 513
Atom CA of residue 395
Atom N of residue 132
ASP
Atom CA of residue 88
Atom CA of residue 2632
VAL
Atom CG of residue 103
Atom CA of residue 452
Atom CA of residue 307
LYS
Atom CA of residue 83
Atom OE1 of residue 98
Atom CG1 of residue 532
Atom CG of residue 76
Atom CA of residue 14
Atom CA of residue 138
Atom CA of residue 64
Atom N of residue 4
Atom CG1 of residue 116
Atom CA of residue 297
ASP
Atom C of residue 74
Atom CA of residue 79
Atom CB of residue 112
Atom CA of residue 574
ASP
LYS
Atom C of residue 528
GLY
Atom O of residue 31
Atom CA of residue 82
Atom CA of residue 448
ASP
Atom CA of residue 28
Atom CD of residue 98
Atom N of residue 117
Atom CA of residue 95
PHE
Atom CA of residue 31
ILE
ILE
THR
GLY
Atom CA of residue 480
LYS
Atom CA of residue 551
Atom CA of residue 572
ALA
LEU
GLN
LYS
Atom CA of residue 577
Atom CA of residue 498
Atom O of residue 86
P1
Atom CA of residue 48
Atom O of residue 133
Atom CB of residue 120
LEU
Atom OE1 of residue 17
PHE
LEU
GLY
Atom C of residue 551
Atom CB of residue 81
Atom CA of residue 543
ARG
Atom CA of residue 27
Atom CD of residue 84
Atom CB of residue 50
Atom CA of residue 560
PRO
Atom CG1 of residue 123
ILE
PHE
LEU
Atom N of residue 35
Atom N of residue 73
Atom O of residue 27
Atom CA of residue 63
Atom O of residue 499
LEU
Atom CB of residue 42
LYS
MET
Atom OG of residue 70
Atom N of residue 26
MET
Atom CD1 of residue 96
Atom C of residue 36
ASN
GLY
PHE
Atom CA of residue 434
LEU
Atom C of residue 83
LEU
Atom CE1 of residue 502
Atom CA of residue 2681
NormalizeRotation6
Atom CA of residue 39
Atom C of residue 49
Atom CA of residue 126
Atom OD1 of residue 102
GLN
Atom CA of residue 4
Atom CA of residue 345
Atom CA of residue 217
GLY
Atom CA of residue 147
Atom CA of residue 2643
Atom CD of residue 76
Model 33
Atom CA of residue 13
Atom CA of residue 81
Atom OD1 of residue 121
Atom CA of residue 5
GLN
Atom CA of residue 22
Atom CA of residue 2683
LEU
Atom O of residue 481
Atom OE2 of residue 98
GLN
ARG
VAL
Atom CA of residue 86
Atom OE1 of residue 54
Atom CA of residue 132
Atom OE1 of residue 98
Atom CA of residue 369
GLU
Atom O of residue 95
ASP
GLU
Atom CA of residue 102
PRO
CYS
VAL
Atom O of residue 19
Atom O of residue 74
Atom C of residue 97
Atom CA of residue 157
Atom CA of residue 461
ARG
Atom CG2 of residue 532
Atom O of residue 36
SER
Atom O of residue 528
Atom CB of residue 94
Atom CA of residue 381
Atom CA of residue 373
Atom CA of residue 64
Atom CA of residue 78
Atom CB of residue 117
Atom CA of residue 145
PRO
Atom CA of residue 15
SER
Atom CA of residue 308
ARG
Atom CD of residue 50
Atom CA of residue 65
GLU
ARG
Atom CA of residue 24
SER
Atom CA of residue 39
SER
LEU
DensityMap3
Atom CA of residue 499
Atom OG of residue 42
Atom CB of residue 153
Atom OE2 of residue 17
LEU
Atom CA of residue 278
Atom C of residue 480
Atom CA of residue 90
ALA
Atom N of residue 107
Atom CA of residue 525
Atom CA of residue 83
Atom CA of residue 109
Atom CA of residue 571
LEU
GLU
GLU
Atom CE2 of residue 502
Atom CA of residue 132
Atom CE2 of residue 137
Atom CA of residue 194
Atom CA of residue 51
VAL
Atom CA of residue 66
Atom CA of residue 331
Atom CA of residue 23
Atom CH2 of residue 53
ALA
ASN
Atom CD of residue 103
Atom CA of residue 49
Atom CA of residue 436
Atom O of residue 83
Atom CB of residue 95
Atom CA of residue 514
Atom CA of residue 73
Atom ND2 of residue 121
Atom CA of residue 47
Atom CA of residue 152
Atom CG2 of residue 123
ILE
Atom CG of residue 154
Atom CA of residue 25
ARG
Atom CE of residue 76
Atom CZ of residue 50
Atom CB of residue 74
Atom CB of residue 86
LEU
MET
Atom CA of residue 99
TYR
LYS
Atom CA of residue 154
PHE
LYS
GLN
Atom CA of residue 461
GLY
ARG
Atom N of residue 97
Atom CA of residue 410
Atom CB of residue 36
Atom CA of residue 2669
Atom CA of residue 491
LEU
LYS
HIS
TRP
ALA
Atom O of residue 76
Atom CA of residue 63
Atom CZ of residue 137
Atom CB of residue 499
LEU
Atom CA of residue 258
Atom CB of residue 19
Atom CA of residue 85
GLU
PHE
ALA
Atom CG2 of residue 116
Atom CB of residue 481
Atom CA of residue 148
LEU
MET
Atom ND1 of residue 106
Atom CG of residue 120
Atom CG1 of residue 112
LEU
Atom CA of residue 57
TRP
Atom CB of residue 31
GLN
Atom OD2 of residue 102
PRO
ILE
Atom CA of residue 99
VAL
Atom CA of residue 117
Atom CA of residue 485
GLY
LEU
PHE
Atom CA of residue 34
Atom CA of residue 484
Atom CA of residue 136
Atom OE2 of residue 98
Atom CA of residue 127
Atom CA of residue 250
Atom CA of residue 396
THR
Atom O of residue 551
SER
LEU
Atom CG of residue 153
PRO
Atom N of residue 54
Atom CA of residue 42
Atom CB of residue 76
LYS
Atom CA of residue 84
Atom CA of residue 138
Atom OH of residue 137
Atom CB of residue 528
Atom CA of residue 440
Atom NE of residue 84
Atom CG of residue 50
LEU
Atom CA of residue 128
Atom CA of residue 309
Atom CD of residue 154
mol_0
Atom CA of residue 2682
Atom CG of residue 61
Atom CA of residue 49
ALA
Atom N of residue 71
Atom CA of residue 298
Atom C of residue 51
mol_1 rigid body
Atom CG of residue 81
PHE
SER
GLN
Atom CA of residue 60
Atom CA of residue 449
Atom CA of residue 26
Atom CA of residue 279
GLY
Atom CB of residue 27
Atom CG of residue 36
ASP
Atom NZ of residue 76
GLN
Atom CA of residue 81
Atom CG1 of residue 86
Atom CD2 of residue 106
GLU
THR
ASP
P1
Atom O of residue 480
Atom CZ of residue 502
P0
Atom CA of residue 552
Atom CA of residue 578
Atom CG1 of residue 94
ARG
Atom OE2 of residue 54
Atom CD1 of residue 116
LEU
ASP
Atom NE of residue 103
Atom CA of residue 80
Atom CG2 of residue 112
Atom CA of residue 453
Atom CG of residue 95
Atom CA of residue 58
LYS
Atom CD1 of residue 532
Atom CA of residue 82
Atom N of residue 122
Atom CA of residue 146
Atom CA of residue 441
1z5s_A.pdb
Atom N of residue 99
Atom CA of residue 26
Atom C of residue 117
Atom CA of residue 73
Atom CA of residue 64
Atom CA of residue 96
LYS
Atom CA of residue 2683
Atom CA of residue 474
Atom CA of residue 499
Atom CG of residue 548
Atom NH2 of residue 50
Atom N of residue 49
Atom N of residue 75
Atom N of residue 4
Atom CA of residue 22
LEU
Atom CG of residue 31
Atom C of residue 85
Atom CA of residue 500
Atom N of residue 124
SER
Atom CA of residue 453
THR
Atom CA of residue 396
Atom CA of residue 346
Atom CA of residue 91
LEU
Atom CA of residue 2633
Atom CA of residue 127
DensityMap4
ARG
Atom CB of residue 133
ALA
Atom CD1 of residue 120
Fit restraint
Atom CA of residue 575
Atom CG of residue 76
Atom CA of residue 195
Atom CA of residue 573
GLU
Atom CD1 of residue 81
Atom CD of residue 50
PHE
Atom CB of residue 83
Atom CB of residue 551
TYR
THR
GLU
Atom CD of residue 61
Atom CA of residue 87
Atom C of residue 15
ALA
P0
Atom CA of residue 370
Atom C of residue 127
VAL
Atom CA of residue 2684
ASN
PHE
Atom CA of residue 218
Atom CA of residue 144
Atom CA of residue 32
Atom CG of residue 528
Atom CA of residue 37
Atom CZ of residue 84
Atom CA of residue 564
ARG
GLU
GLU
ALA
Atom CG of residue 57
Atom CG1 of residue 27
Atom CA of residue 40
Atom CA of residue 374
Atom CA of residue 40
Atom CA of residue 64
Atom N of residue 18
GLU
GLY
P314
Atom CG2 of residue 94
PHE
Atom CA of residue 544
Atom N of residue 55
Atom CA of residue 110
Atom CA of residue 35
Atom CA of residue 47
GLU
Atom N of residue 138
Atom CA of residue 103
Atom CD of residue 548
Atom CA of residue 492
PRO
Atom CA of residue 23
Atom CA of residue 326
Atom CD of residue 36
Atom CE of residue 154
ILE
LYS
Atom C of residue 81
GLU
Atom CA of residue 104
Atom CA of residue 219
SER
THR
Atom CB of residue 480
TYR
Atom CA of residue 561
HIS
Atom CG of residue 499
HIS
Atom CA of residue 382
Atom CA of residue 65
Atom CA of residue 72
Atom CA of residue 332
Atom CA of residue 35
GLN
SER
Atom CA of residue 67
Atom O of residue 15
PHE
Atom CD of residue 76
GLU
Atom CG of residue 481
LYS
Atom C of residue 132
Atom N of residue 533
Atom CA of residue 35
VAL
PRO
Atom N of residue 99
Atom N of residue 117
Atom CA of residue 515
Atom CA of residue 25
Atom C of residue 73
Atom O of residue 51
Atom CG of residue 19
Atom CA of residue 153
Atom CA of residue 20
Atom CD1 of residue 112
Atom OE1 of residue 36
SER
Atom CA of residue 129
Atom CG of residue 83
ASP
Atom CA of residue 77
MET
LEU
LYS
GLU
ASP
Atom CD of residue 153
Atom C of residue 26
Atom O of residue 127
Atom CA of residue 275
CYS
Atom N of residue 77
Atom N of residue 51
HIS
Atom CE1 of residue 106
PRO
Atom CA of residue 572
Atom OD1 of residue 95
ARG
ALA
LYS
Atom N of residue 134
THR
LEU
LEU
ALA
ALA
Atom CA of residue 139
THR
GLN
Atom CD2 of residue 81
ASN
Atom NE of residue 50
THR
Atom CD1 of residue 57
Atom O of residue 73
Atom CG2 of residue 27
VAL
Atom CA of residue 155
TRP
Atom CG of residue 551
LYS
ARG
ILE
SER
Atom CA of residue 81
Atom CA of residue 257
Atom CA of residue 397
GLY
Atom N of residue 508
Atom CD of residue 499
Atom CZ of residue 103
Atom CA of residue 485
GLU
Atom CZ of residue 87
Atom C of residue 35
Atom CA of residue 30
PRO
ALA
Atom CA of residue 2670
GLU
Atom CA of residue 462
ARG
Atom CD of residue 481
GLY
Atom CA of residue 97
Atom CA of residue 299
Atom CA of residue 15
Atom CA of residue 411
Atom CA of residue 97
Atom CA of residue 77
Atom CG2 of residue 86
Atom CA of residue 21
GLY
Atom CA of residue 547
LEU
CYS
Atom CB of residue 51
Atom CA of residue 259
Atom OE1 of residue 548
Atom CA of residue 50
PHE
Chain B
Atom CA of residue 576
Atom N of residue 503
Atom CA of residue 54
PHE
ALA
Atom NE2 of residue 36
Atom CA of residue 486
SER
Atom OE1 of residue 83
LEU
Atom C of residue 22
Atom CD2 of residue 120
ARG
P2
DensityMap5
Atom CA of residue 64
ASN
Atom CA of residue 94
Atom O of residue 85
GLU
THR
Atom NZ of residue 154
Atom CA of residue 457
ASP
Atom CA of residue 99
Atom CA of residue 43
LYS
Atom CA of residue 33
Atom CA of residue 41
Atom CA of residue 2634
Atom OE1 of residue 19
MET
MET
Atom CA of residue 122
LYS
Atom CE of residue 153
Atom CB of residue 15
Atom O of residue 26
Atom CA of residue 98
Atom O of residue 77
Atom CA of residue 51
Atom CA of residue 545
Atom N of residue 87
Atom CA of residue 55
Atom CA of residue 454
LEU
PHE
GLY
Atom CA of residue 50
Atom CA of residue 147
Atom OD1 of residue 6
Atom CA of residue 24
GLN
Atom C of residue 533
Atom CA of residue 77
Atom CA of residue 500
Atom CA of residue 38
Atom O of residue 81
Atom NH1 of residue 84
Atom NH1 of residue 103
Atom CA of residue 124
SER
Atom CA of residue 71
Atom N of residue 113
Atom CA of residue 347
Atom CA of residue 86
LEU
Atom CD of residue 528
Atom CA of residue 441
Atom CA of residue 501
Atom CE of residue 76
Atom CA of residue 276
Atom CA of residue 92
Atom CA of residue 51
ASN
ALA
Atom CA of residue 104
ILE
Atom NE of residue 61
Atom CB of residue 127
Atom ND2 of residue 95
Atom C of residue 99
Atom O of residue 35
Atom CA of residue 138
Atom CA of residue 553
Atom CA of residue 196
Atom CA of residue 34
Atom CA of residue 574
ARG
Atom CD1 of residue 94
Atom CB of residue 85
GLY
SER
Atom CA of residue 371
GLU
MET
Atom N of residue 37
GLN
Atom C of residue 51
Atom NE2 of residue 106
LYS
THR
Atom CA of residue 442
PHE
Atom CG of residue 480
PRO
LEU
SampledDensityMap81
Atom O of residue 132
Atom CD1 of residue 551
GLU
Atom CA of residue 91
Atom CA of residue 375
Atom CZ of residue 50
Atom CA of residue 354
Atom CA of residue 136
TYR
ASP
Atom CG of residue 97
Atom CA of residue 219
LYS
Atom CA of residue 65
ASN
Atom CA of residue 383
VAL
Atom NH2 of residue 84
Atom C of residue 21
Atom CA of residue 103
Atom C of residue 124
PHE
Atom OE1 of residue 499
LYS
Atom CA of residue 62
Atom CA of residue 450
ARG
Atom N of residue 155
Atom CE of residue 481
THR
ILE
Atom C of residue 54
Atom CA of residue 533
LEU
Atom CA of residue 579
GLN
VAL
Atom CA of residue 493
Atom CA of residue 88
Atom N of residue 121
LEU
Atom CG of residue 51
Atom OE2 of residue 19
Atom CA of residue 418
Atom CA of residue 23
GLN
Atom CA of residue 220
Atom ND1 of residue 83
Atom CA of residue 128
Atom O of residue 22
TYR
CoarseCC2
CYS
Atom CA of residue 2685
Atom CA of residue 95
Atom CA of residue 156
Atom CE of residue 528
PRO
ILE
Atom CA of residue 117
Atom CD2 of residue 57
Atom CZ of residue 61
Atom CB of residue 81
Atom N of residue 85
Atom C of residue 103
Atom CB of residue 124
Atom CA of residue 111
Atom C of residue 71
LEU
ALA
ASN
Atom O of residue 99
Atom C of residue 150
GLU
Atom N of residue 95
GLU
Atom C of residue 432
Atom NZ of residue 76
Atom CA of residue 26
Atom CB of residue 73
PHE
ILE
LYS
Atom CA of residue 75
TYR
Atom CA of residue 154
Atom CA of residue 18
Atom CG of residue 127
Atom CD1 of residue 480
PRO
Atom CA of residue 106
Atom CG of residue 117
Atom CA of residue 59
Atom CA of residue 142
Atom CA of residue 66
Atom CA of residue 130
Atom N of residue 98
PHE
THR
Atom CA of residue 43
Atom CA of residue 65
ASN
Atom CA of residue 28
Atom CA of residue 98
Atom OG1 of residue 40
LYS
Atom CA of residue 11
SER
MET
Atom NH1 of residue 50
Atom CA of residue 573
LEU
Atom CA of residue 503
Atom CB of residue 132
SER
Atom CA of residue 460
Atom NE2 of residue 548
Atom O of residue 103
Atom CA of residue 134
ASP
Atom CG1 of residue 15
SER
Atom CB of residue 26
ALA
THR
Atom CG of residue 85
GLU
Atom NH2 of residue 103
ILE
Atom CA of residue 258
Atom CA of residue 516
Atom CA of residue 398
Atom CB of residue 35
Atom CA of residue 216
ALA
Atom CA of residue 2671
MET
Atom CA of residue 68
PRO
LYS
Atom CA of residue 82
Atom O of residue 150
SER
Atom CD2 of residue 551
Atom C of residue 62
GLY
GLY
Atom CA of residue 137
Atom CA of residue 568
Atom N of residue 52
Atom N of residue 20
NullModifier0
Atom CB of residue 22
Atom O of residue 21
Atom O of residue 124
Atom CA of residue 548
Atom O of residue 71
Atom CA of residue 463
Atom CA of residue 32
Atom CG2 of residue 40
Atom CA of residue 412
Atom NE2 of residue 499
LYS
Atom CA of residue 442
PRO
ARG
Atom CA of residue 260
Atom C of residue 122
ARG
Atom NZ of residue 153
Atom CA of residue 577
ASN
Atom NZ of residue 481
Atom CA of residue 300
Atom CB of residue 77
PHE
Atom CD2 of residue 83
Atom N of residue 77
LEU
Atom N of residue 58
Atom CA of residue 78
Atom CA of residue 105
Atom CA of residue 2635
ALA
Atom C of residue 121
PHE
LEU
PRO
Atom O of residue 514
Atom CA of residue 295
ILE
Atom CA of residue 37
Atom NZ of residue 528
SER
LEU
Atom N of residue 104
Atom C of residue 55
Atom N of residue 96
VAL
Atom CA of residue 31
SER
Atom O of residue 533
PRO
Atom CA of residue 42
VAL
Atom NH1 of residue 61
Atom CB of residue 103
LYS
ALA
Atom C of residue 18
Atom CG2 of residue 15
PRO
Atom CA of residue 487
ASN
Atom NE of residue 50
Atom CA of residue 546
Atom CA of residue 39
Atom CG of residue 73
ALA
Atom C of residue 43
GLY
Atom CG of residue 26
Atom CA of residue 25
Atom CD2 of residue 480
Atom CA of residue 348
GLU
Atom CA of residue 501
Atom C of residue 75
Atom CA of residue 89
CYS
Atom CA of residue 434
Atom C of residue 99
Atom CG of residue 35
Atom CA of residue 145
Atom CA of residue 60
Atom O of residue 122
Atom C of residue 134
Atom O of residue 54
Atom N of residue 41
ALA
Atom C of residue 37
Atom CA of residue 552
Atom CA of residue 2684
Atom CA of residue 24
ALA
Atom CA of residue 21
Atom CA of residue 372
THR
LEU
ALA
Atom CB of residue 99
Atom CA of residue 220
Atom CA of residue 96
Atom CG of residue 132
Atom CA of residue 554
Atom CA of residue 52
VAL
Atom N of residue 549
Atom CA of residue 92
Atom CG of residue 22
Atom CB of residue 21
Atom CA of residue 121
GLU
PHE
ASP
Atom CA of residue 376
Atom CA of residue 2641
Atom CA of residue 87
Atom CA of residue 355
MET
UpdateRigidBodyMembers1
Atom CA of residue 580
Atom CB of residue 41
Atom CA of residue 148
Atom N of residue 154
Atom CA of residue 51
GLN
THR
Atom N of residue 482
Atom CB of residue 150
PRO
Atom CA of residue 70
Atom CG of residue 77
Atom CA of residue 67
Atom C of residue 107
Atom CA of residue 90
Atom O of residue 55
ARG
PHE
Atom CA of residue 30
Atom CA of residue 455
Atom CA of residue 87
PHE
HIS
ALA
Atom OD1 of residue 85
Atom CA of residue 502
P2
ASP
Atom O of residue 134
Atom CG of residue 18
Atom CA of residue 443
Atom CB of residue 71
Atom CA of residue 582
Atom C of residue 117
Atom CA of residue 33
PRO
Atom C of residue 138
Atom N of residue 500
LEU
ARG
Atom CA of residue 221
Atom CA of residue 113
LYS
ILE
Atom CA of residue 197
Atom CA of residue 3
GLU
ASP
Atom O of residue 75
ASN
Atom CA of residue 83
Atom CB of residue 54
PRO
Atom CA of residue 384
Atom CA of residue 40
Atom O of residue 99
Atom OD1 of residue 127
Atom CA of residue 2686
ALA
GLU
Atom CA of residue 157
Atom CA of residue 575
SER
Atom CA of residue 69
Atom O of residue 62
Atom CA of residue 451
Atom C of residue 503
Atom C of residue 98
Atom CB of residue 514
VAL
THR
Atom O of residue 37
GLU
Atom CB of residue 84
SER
Atom CA of residue 85
TRP
GLY
Atom CB of residue 77
Atom C of residue 58
Atom CE1 of residue 551
Atom N of residue 529
Atom NH2 of residue 50
Atom CA of residue 69
Atom CA of residue 55
Atom CG of residue 103
TYR
Atom CA of residue 133
Atom CG of residue 133
ALA
Atom CA of residue 457
Atom CA of residue 155
GLU
Atom CA of residue 122
LEU
ALA
Atom NH2 of residue 61
Atom CA of residue 494
PHE
VAL
SER
Atom C of residue 20
Atom CA of residue 95
Atom CG of residue 41
ARG
LYS
Atom CA of residue 22
ILE
LEU
LYS
ALA
Atom CE1 of residue 480
ALA
Atom C of residue 52
Atom CB of residue 122
Atom CE1 of residue 83
Atom N of residue 508
Atom CA of residue 12
Atom CA of residue 27
Atom O of residue 138
GLN
ILE
Atom CA of residue 500
VAL
GLU
Atom C of residue 87
ALA
LYS
Atom CA of residue 488
ARG
Atom CA of residue 259
Atom CA of residue 399
Atom CG of residue 99
Atom CA of residue 97
Atom CD of residue 132
LEU
Atom C of residue 116
Atom ND2 of residue 85
ARG
VAL
PRO
Atom N of residue 125
ALA
Atom CA of residue 517
ILE
ILE
Atom CA of residue 217
Atom CA of residue 62
Atom CA of residue 488
Atom CD1 of residue 77
MET
GLU
Atom CG of residue 99
Atom OD2 of residue 127
THR
Atom CA of residue 58
Atom CA of residue 2
PHE
Atom CA of residue 144
PHE
VAL
Atom N of residue 432
Atom CA of residue 52
PRO
PRO
Atom O of residue 503
Atom CB of residue 533
Atom CA of residue 33
Atom CA of residue 2672
THR
Atom C of residue 85
Atom CG of residue 104
Atom CA of residue 155
ASN
Atom C of residue 113
Atom CA of residue 32
Atom CA of residue 146
GLN
Atom CE2 of residue 551
Atom CA of residue 443
Atom CB of residue 62
VAL
THR
Atom N of residue 51
Atom O of residue 121
Atom CD of residue 133
Atom CD of residue 73
Atom CA of residue 21
LEU
Atom CG of residue 84
Atom CE1 of residue 22
Atom CA of residue 11
Atom N of residue 56
Atom CD1 of residue 15
Atom CG of residue 77
Atom CD1 of residue 26
GLY
GLY
ALA
P2
GLU
Atom CA of residue 41
Atom CA of residue 455
VAL
GLU
Atom CA of residue 51
Atom CA of residue 574
Atom CA of residue 518
Atom CA of residue 458
Atom CA of residue 301
Atom CG of residue 54
ILE
Atom CA of residue 2636
VAL
PHE
Atom CA of residue 549
Atom CA of residue 114
Atom CD1 of residue 18
PHE
Atom CA of residue 97
Atom N of residue 151
Atom CB of residue 75
Atom CA of residue 107
Atom NE2 of residue 83
Atom C of residue 155
Atom CD of residue 35
Atom CA of residue 70
VAL
GLU
Atom CA of residue 31
Atom CA of residue 456
Atom CE2 of residue 480
Atom C of residue 95
Atom CD of residue 103
Atom CA of residue 349
Atom CA of residue 68
GLN
Atom CA of residue 73
Atom CA of residue 83
Atom OG of residue 71
Atom CA of residue 464
Atom CA of residue 578
Atom CA of residue 4
Atom C of residue 41
VAL
Atom CA of residue 413
PRO
Atom CD1 of residue 41
ALA
Atom CG of residue 503
ILE
Atom CA of residue 36
Atom CA of residue 2685
Atom CA of residue 261
Atom CB of residue 134
PHE
Atom C of residue 447
ALA
Atom CA of residue 435
Atom CA of residue 373
Atom CG of residue 117
Atom CA of residue 96
PRO
ASP
Atom CD of residue 99
VAL
Atom CA of residue 36
Atom CB of residue 37
Atom CA of residue 576
Atom CA of residue 549
Atom O of residue 116
Atom CA of residue 17
Atom CA of residue 452
PRO
LYS
GLU
Atom CA of residue 43
UpdateRigidBodyMembers20
Atom CA of residue 377
Atom CA of residue 356
Atom N of residue 16
Atom O of residue 113
Atom CA of residue 95
Atom CA of residue 134
Atom CA of residue 296
Atom OE1 of residue 132
GLY
Atom CA of residue 547
Atom CA of residue 2642
Atom CZ of residue 13
SER
CYS
GLY
Atom CA of residue 221
Atom CA of residue 93
PRO
Atom CB of residue 138
Atom CA of residue 35
Atom CA of residue 35
Atom CA of residue 385
Atom CA of residue 93
Atom CA of residue 62
Atom CE2 of residue 22
Atom CA of residue 149
ASP
Atom CD of residue 99
Atom CD2 of residue 26
Atom N of residue 128
Atom CA of residue 26
GLN
Atom O of residue 41
LYS
Atom N of residue 82
Atom CA of residue 68
Atom CA of residue 486
VAL
Atom OE1 of residue 35
Atom N of residue 534
MET
Atom OD1 of residue 51
Atom CD of residue 84
Atom CA of residue 503
Atom CG of residue 122
MET
Atom CA of residue 52
Atom CA of residue 112
Atom CA of residue 222
Atom CD1 of residue 77
Atom OG1 of residue 514
Atom OG of residue 37
Atom CA of residue 106
MET
Atom CA of residue 502
PHE
ASP
Atom CA of residue 566
Atom OG of residue 124
Atom CA of residue 40
Atom CA of residue 85
Atom N of residue 74
Atom CA of residue 198
TYR
Atom CB of residue 6
Atom CA of residue 84
Atom N of residue 72
SER
LEU
TYR
Atom O of residue 58
VAL
Atom CA of residue 53
ILE
LYS
CYS
Atom CA of residue 555
Atom CZ of residue 551
TYR
TYR
normalize rigid bodies
ARG
Atom CA of residue 84
Atom CA of residue 444
Atom C of residue 96
Atom CA of residue 482
Atom CD1 of residue 53
Atom CA of residue 131
Atom CA of residue 496
Atom CG of residue 42
Model 8
Atom N of residue 84
Atom OE1 of residue 99
ALA
ASP
Atom CA of residue 156
Atom O of residue 447
SER
HIS
Atom CD of residue 54
ILE
Atom NE of residue 103
GLY
ASN
Atom N of residue 86
ARG
Atom CA of residue 53
Atom CD2 of residue 18
ALA
HIS
ASN
Atom CB of residue 41
Atom CA of residue 2673
Atom C of residue 549
Atom NH1 of residue 13
TRP
Atom CA of residue 575
Atom CA of residue 54
VAL
ASN
GLY
Atom OD1 of residue 503
HIS
PRO
CYS
Atom CG of residue 62
PHE
Atom CD of residue 122
Atom CD2 of residue 41
Atom CZ of residue 22
Atom CG of residue 134
GLN
Atom CB of residue 121
Atom CA of residue 35
Atom OE1 of residue 99
Atom O of residue 155
GLY
Atom CA of residue 400
ASN
Atom CG2 of residue 514
Atom N of residue 38
ALA
PHE
GLN
ALA
Atom CA of residue 550
Atom CA of residue 2687
Atom N of residue 552
GLY
ALA
Atom O of residue 85
ARG
TYR
ASN
Atom CA of residue 218
Atom CA of residue 489
SER
Atom CA of residue 113
Atom CB of residue 113
LEU
ALA
Atom CA of residue 145
Atom CA of residue 529
ASN
Atom CA of residue 135
Atom C of residue 104
GLU
Atom CA of residue 465
Atom CA of residue 96
Atom CD2 of residue 53
Atom CA of residue 28
Atom CA of residue 17
Atom CA of residue 414
HIS
Atom CB of residue 549
Atom O of residue 62
Atom CD of residue 42
PRO
HIS
Atom CA of residue 56
PRO
Atom CA of residue 2
LEU
Atom OE2 of residue 35
Atom CA of residue 302
Atom CA of residue 147
VAL
Atom OD2 of residue 51
Atom CA of residue 262
Atom O of residue 95
Atom CA of residue 71
ARG
Atom CA of residue 76
ARG
Atom CA of residue 515
Atom CA of residue 61
Atom NE of residue 84
ALA
Atom CA of residue 551
TRP
Atom CZ of residue 480
Atom CA of residue 33
ALA
Atom CA of residue 25
VAL
Atom CA of residue 51
GLU
Atom CA of residue 21
Atom CA of residue 436
PRO
Atom O of residue 96
Atom C of residue 482
Atom OE1 of residue 54
Atom CA of residue 297
Atom SG of residue 138
ALA
LEU
ALA
Atom CA of residue 77
Atom CA of residue 260
Atom OE2 of residue 132
Atom SD of residue 62
Atom CA of residue 14
Atom CA of residue 30
LEU
Atom CB of residue 99
GLY
Model 47
Atom OD1 of residue 40
Atom CG2 of residue 75
Atom CA of residue 32
Atom CA of residue 457
LYS
Atom ND2 of residue 503
Atom C of residue 500
Atom C of residue 63
Atom CA of residue 444
Atom NE1 of residue 41
LEU
ILE
Atom C of residue 484
Atom CB of residue 155
LYS
Atom CA of residue 460
Atom CA of residue 2637
Atom CA of residue 503
Chain A
Atom CA of residue 94
Atom CA of residue 74
Atom CZ of residue 103
Atom CA of residue 72
GLU
Atom CA of residue 579
Atom CA of residue 57
Atom CB of residue 95
GLY
PRO
Atom CA of residue 374
LEU
GLY
ASN
Atom O of residue 549
Atom CD1 of residue 22
ALA
ILE
Atom CA of residue 487
Atom CG of residue 113
Atom N of residue 27
Atom CA of residue 151
Atom CA of residue 556
Atom CA of residue 577
Atom CA of residue 378
ALA
Atom CA of residue 357
Atom CG of residue 121
Atom CA of residue 368
GLU
Atom CA of residue 44
PRO
TYR
Atom CA of residue 12
GLU
Atom CA of residue 16
Atom CA of residue 41
Atom CA of residue 128
Atom CA of residue 582
Atom N of residue 481
Atom OE2 of residue 99
PRO
Atom CB of residue 58
Atom CA of residue 62
PRO
Atom CA of residue 36
Atom CA of residue 36
GLU
Atom C of residue 529
Atom CA of residue 548
Atom CA of residue 2643
Atom O of residue 107
MET
PHE
SER
Atom CA of residue 66
GLN
Atom N of residue 139
Atom CA of residue 2686
Atom CZ of residue 84
Atom CA of residue 125
PRO
Atom C of residue 56
Atom CA of residue 16
Atom O of residue 77
Atom CA of residue 27
Atom CA of residue 222
Atom CG1 of residue 41
Atom N of residue 133
Atom CB of residue 85
Atom CA of residue 136
Atom CA of residue 445
Atom CA of residue 223
Atom NE1 of residue 53
ARG
Atom CA of residue 107
ALA
GLN
Atom CB of residue 62
Atom OE1 of residue 42
Atom CA of residue 24
Atom CB of residue 503
Atom CA of residue 416
VAL
Atom C of residue 51
Atom CA of residue 91
Atom N of residue 36
Atom CA of residue 2674
Atom CA of residue 386
Atom ND2 of residue 40
Atom CB of residue 447
Atom CA of residue 85
Atom CA of residue 85
TYR
Atom N of residue 19
Atom O of residue 41
ILE
Atom CA of residue 2688
VAL
Atom CA of residue 38
Atom O of residue 63
Atom CA of residue 86
Atom NH2 of residue 13
Atom CB of residue 145
ASP
Atom CA of residue 67
ILE
Atom CD1 of residue 134
Atom O of residue 125
LEU
ASP
Atom CA of residue 136
Atom CA of residue 82
GLU
Atom CE of residue 62
Atom CA of residue 69
Atom CA of residue 29
GLU
SER
Atom CG of residue 62
Atom N of residue 76
Atom OE1 of residue 122
ASN
Atom CA of residue 150
Atom CA of residue 157
PHE
THR
LYS
SER
ARG
TYR
Atom CA of residue 74
SER
Atom CG of residue 552
ALA
Atom CB of residue 107
GLU
ASP
Atom CA of residue 74
Atom CA of residue 461
GLY
Atom CA of residue 25
Atom CA of residue 504
Atom CD2 of residue 22
Atom O of residue 115
Atom O of residue 104
Atom CA of residue 136
Atom CA of residue 73
Atom CB of residue 96
Atom O of residue 482
GLU
Atom C of residue 151
Atom CG2 of residue 41
Atom C of residue 38
Atom O of residue 500
Atom O of residue 529
Atom CG of residue 95
GLY
Atom CA of residue 567
ASN
Atom CA of residue 77
Atom CA of residue 576
VAL
Atom CA of residue 401
ARG
Atom CA of residue 534
Atom CA of residue 199
LEU
Atom CA of residue 72
Atom CA of residue 72
Atom CA of residue 93
Atom CA of residue 417
LEU
PRO
PHE
ILE
ASN
GLN
GLU
Atom O of residue 56
Atom CG of residue 145
Atom N of residue 515
Atom C of residue 16
Atom CA of residue 72
LYS
AccumulateRigidBodyDerivatives0
LYS
Atom N of residue 100
LYS
Atom CG of residue 58
ILE
Atom CA of residue 154
GLN
THR
GLN
ILE
ALA
VAL
Atom N of residue 41
Atom CA of residue 54
Atom CG of residue 447
Atom CA of residue 586
GLU
Atom OE2 of residue 54
Atom CA of residue 58
Atom N of residue 14
Atom N of residue 88
PRO
LEU
Atom CA of residue 263
SER
Atom CA of residue 95
Atom OE2 of residue 122
ALA
PRO
LEU
Atom CA of residue 437
Atom OE2 of residue 99
Atom CG of residue 155
Atom CE2 of residue 53
Atom OE2 of residue 42
ASP
GLN
Atom CA of residue 303
Atom C of residue 74
ALA
Atom CA of residue 143
ALA
SER
GLY
ALA
Atom CA of residue 298
Atom N of residue 42
Atom C of residue 77
Atom CA of residue 3
Atom CA of residue 490
Atom C of residue 82
Atom CA of residue 495
GLN
ASN
LYS
LEU
ARG
Atom CG1 of residue 107
Atom CZ2 of residue 41
Atom CG of residue 85
Atom CD2 of residue 134
Atom CD of residue 121
Atom C of residue 72
Atom CG of residue 96
Atom CB of residue 482
Atom CA of residue 219
Atom O of residue 151
Atom CA of residue 2687
Atom CA of residue 137
Atom CA of residue 462
LEU
Atom CA of residue 28
Atom CD1 of residue 113
LYS
LEU
Atom CA of residue 148
ARG
Atom CA of residue 135
Atom CA of residue 445
Atom N of residue 63
ConjugateGradients
Atom CA of residue 59
Atom CA of residue 132
Atom CA of residue 75
Atom CA of residue 63
PRO
SER
Atom CA of residue 504
Atom CB of residue 104
rigid bodies list
Atom C of residue 128
CYS
SER
Atom CA of residue 133
Atom CA of residue 26
Atom C of residue 86
PRO
Atom NH1 of residue 103
Atom CA of residue 75
GLN
Atom N of residue 55
Atom CB of residue 500
Atom NH1 of residue 84
Atom CA of residue 379
Atom CA of residue 358
Atom CA of residue 468
Atom CD of residue 145
Atom CA of residue 155
Atom CA of residue 76
Atom CA of residue 369
Atom CA of residue 557
Atom CB of residue 529
LEU
Atom O of residue 51
Atom C of residue 125
Atom CD1 of residue 155
Atom CA of residue 223
ASP
Atom CA of residue 37
/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
Atom CA of residue 2688
TYR
Atom CA of residue 2638
GLN
ASP
Atom C of residue 40
Atom CA of residue 33
Atom CA of residue 458
Atom N of residue 504
THR
Atom CA of residue 2660
Atom CA of residue 96
Atom CA of residue 387
ARG
VAL
Atom CA of residue 151
Atom CD1 of residue 447
LYS
GLU
Atom CE3 of residue 53
Atom CA of residue 63
VAL
Atom CA of residue 2
ILE
Atom N of residue 62
Atom N of residue 43
PHE
Atom CA of residue 23
Atom N of residue 57
Atom CA of residue 466
Atom CA of residue 481
Atom CB of residue 508
Atom CA of residue 67
Atom CB of residue 63
Atom CA of residue 51
GLN
Atom CD1 of residue 85
THR
GLN
LEU
Atom O of residue 74
Atom C of residue 534
Atom O of residue 82
Atom CA of residue 75
Atom CA of residue 568
Atom CA of residue 15
Atom CA of residue 92
PRO
LYS
PHE
Atom CD2 of residue 113
Atom C of residue 76
Atom O of residue 128
Atom CA of residue 2
Atom CA of residue 200
Atom CA of residue 37
Atom CA of residue 16
Atom CA of residue 578
Atom N of residue 123
Atom CZ3 of residue 41
Atom CA of residue 37
Atom N of residue 100
Atom CA of residue 466
Atom CA of residue 403
VAL
ASP
MET
Atom CG2 of residue 107
Atom CA of residue 463
Atom N of residue 134
Atom CA of residue 27
Atom CA of residue 2689
Atom CA of residue 72
Atom CA of residue 136
Atom CA of residue 505
LEU
Atom CB of residue 51
ALA
Atom CA of residue 108
Atom CA of residue 45
Atom N of residue 85
Atom CG of residue 549
TRP
GLY
Atom O of residue 72
GLU
PRO
VAL
Atom CA of residue 74
LYS
Atom O of residue 86
Atom CA of residue 73
Atom CA of residue 549
Atom CA of residue 2644
Atom CA of residue 70
Atom CE of residue 121
Atom CA of residue 36
ARG
Atom CA of residue 519
Atom CA of residue 139
Atom C of residue 552
LYS
LEU
Atom CA of residue 469
Atom O of residue 16
Atom OH of residue 87
Atom CA of residue 28
Atom CA of residue 240
python stream
ASP
Atom CD1 of residue 58
Atom C of residue 515
Atom CB of residue 151
SER
Atom C of residue 133
Atom CA of residue 56
ASP
Atom CG1 of residue 529
DistancePairScore 0
VAL
Atom CA of residue 19
LEU
Atom CA of residue 133
PRO
LYS
VAL
GLY
THR
LEU
Atom CA of residue 402
THR
ILE
ILE
THR
Atom CA of residue 130
PHE
Atom O of residue 40
Atom CA of residue 36
GLY
Atom O of residue 534
LEU
HIS
HIS
Atom CE1 of residue 134
Atom CA of residue 86
ASP
ASP
ASP
Atom CA of residue 30
Atom CG of residue 508
PHE
TYR
Atom CG of residue 63
Chain B
THR
THR
MET
Atom CD2 of residue 155
Atom CA of residue 220
Atom OD1 of residue 549
GLU
Atom CA of residue 2
VAL
Atom C of residue 481
SER
GLU
Atom CA of residue 42
Atom O of residue 133
Atom CA of residue 100
GLN
Atom NH2 of residue 103
Atom CA of residue 70
ALA
THR
Atom CG of residue 500
LYS
Atom CA of residue 76
LEU
LEU
Atom CA of residue 115
Atom CA of residue 587
Atom CB of residue 16
Atom CA of residue 438
Atom C of residue 41
Atom CD of residue 96
Atom CG of residue 482
HIS
Atom CA of residue 2675
Atom CA of residue 133
Atom CA of residue 4
ASP
Atom CD2 of residue 85
Atom CA of residue 577
Atom CA of residue 68
MET
Atom C of residue 139
GLN
Atom CD2 of residue 447
Atom CA of residue 15
GLY
Atom N of residue 114
PRO
Atom C of residue 27
Atom CB of residue 128
PRO
Atom CA of residue 18
PRO
Atom CA of residue 2
Atom CA of residue 5
Atom CB of residue 82
SER
Atom CA of residue 13
Atom CA of residue 2634
Atom OE1 of residue 145
Atom CA of residue 38
Atom CA of residue 34
Atom CA of residue 467
Atom CB of residue 74
ASN
PRO
Atom CA of residue 527
Atom CA of residue 304
Atom CG of residue 151
Atom C of residue 42
Atom NH1 of residue 77
Atom CA of residue 491
LYS
LEU
GLN
ARG
Atom CG of residue 51
SER
GLU
Atom CA of residue 552
/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/input/1z5s_20.imp.mrc
Atom CA of residue 55
Atom CB of residue 40
HIS
Atom CG of residue 534
PHE
PRO
LEU
Atom CA of residue 41
LEU
VAL
Atom NZ of residue 96
ALA
Atom CA of residue 10
SER
Atom OD2 of residue 33
Atom C of residue 19
Atom CA of residue 156
Atom CA of residue 149
Atom N of residue 134
Atom CA of residue 264
SER
Atom CA of residue 76
Atom CD1 of residue 104
Atom CA of residue 30
Atom CB of residue 72
TRP
GLU
Atom CA of residue 2631
Atom C of residue 100
Atom CD2 of residue 58
Atom CA of residue 2661
Atom CA of residue 6
Atom CA of residue 2639
Atom CA of residue 14
GLY
Atom CA of residue 135
GLY
LYS
Atom CA of residue 8
SER
Atom CA of residue 380
Atom C of residue 123
Atom CA of residue 152
Atom CA of residue 359
Atom CA of residue 74
SER
Atom CA of residue 370
Atom OD1 of residue 482
Atom CZ2 of residue 53
Atom CA of residue 299
Atom CA of residue 64
Atom CD of residue 63
Atom CA of residue 35
CYS
Atom N of residue 104
VAL
Atom O of residue 515
Atom CA of residue 38
Atom CA of residue 46
Atom C of residue 41
Atom CB of residue 86
Atom CE2 of residue 41
Atom CE2 of residue 134
Atom CB of residue 125
Atom NZ of residue 121
Atom CA of residue 55
GLY
Atom CA of residue 109
GLY
Atom CA of residue 550
ILE
GLY
ALA
ASP
Atom CA of residue 459
TYR
Atom CD of residue 500
Atom OD2 of residue 549
Atom C of residue 76
Atom N of residue 108
Atom N of residue 448
LYS
VAL
LEU
Atom CA of residue 467
Atom O of residue 27
Atom CA of residue 29
Atom CE1 of residue 155
Atom CA of residue 100
GLU
Atom CA of residue 224
Atom O of residue 42
Atom N of residue 83
Atom CA of residue 505
Atom CA of residue 96
UpdateRigidBodyMembers19
ARG
GLN
Atom OE2 of residue 145
Atom CA of residue 2644
THR
python stream rigid body
CYS
Atom CA of residue 38
Atom CA of residue 446
ASN
Atom CA of residue 63
Atom CD2 of residue 104
Atom CG of residue 16
SER
ASP
Atom O of residue 139
ASP
Atom NH2 of residue 77
Atom O of residue 552
Atom CA of residue 134
Atom CA of residue 75
Atom CA of residue 2645
Atom CA of residue 569
Atom CA of residue 101
Atom CA of residue 151
Atom CG of residue 40
Atom CA of residue 201
Atom CA of residue 558
Atom CA of residue 579
GLU
Atom CA of residue 388
Atom CZ of residue 134
Atom CA of residue 87
Atom CA of residue 47
Atom C of residue 36
Atom CA of residue 110
GLN
Atom N of residue 34
Atom CA of residue 465
Atom O of residue 19
Atom CA of residue 157
LEU
Atom CB of residue 41
LEU
Atom CG2 of residue 529
LeavesRefiner0
Atom CA of residue 17
Atom C of residue 97
Atom CZ3 of residue 53
Atom CA of residue 463
GLU
Atom CA of residue 93
Atom CA of residue 42
TYR
PRO
ARG
LEU
Atom OD1 of residue 534
Atom CA of residue 29
THR
Atom CA of residue 506
Atom CA of residue 6
PRO
LEU
Atom CA of residue 66
Atom CA of residue 241
ASP
Atom CA of residue 85
Atom C of residue 14
Atom CA of residue 57
Atom CG of residue 128
Atom C of residue 482
Atom CA of residue 236
Atom CG1 of residue 86
TYR
Atom N of residue 86
Atom OD1 of residue 51
ALA
Atom CG of residue 125
Atom CA of residue 586
ALA
ALA
Atom CA of residue 403
Atom CA of residue 504
VAL
Atom CA of residue 101
Atom CE of residue 500
Atom CA of residue 43
Atom CA of residue 2635
Chain  
Atom CA of residue 7
ASP
PRO
Atom CA of residue 2690
Atom CA of residue 141
GLY
Atom CA of residue 9
Atom OD1 of residue 95
LEU
Atom O of residue 123
Atom CE3 of residue 41
Atom CA of residue 520
Atom CE2 of residue 155
Atom OD2 of residue 482
Atom CA of residue 31
GLY
THR
Atom C of residue 55
THR
THR
Atom CA of residue 108
TRP
Atom CG of residue 72
THR
THR
Atom CB of residue 515
Atom OE1 of residue 63
Atom OE2 of residue 12
Atom CA of residue 8
Atom N of residue 122
SER
Atom CA of residue 221
Atom CG of residue 74
GLY
ILE
SER
Atom CA of residue 98
Atom CA of residue 450
Atom CA of residue 2
ASP
Atom CG of residue 41
Atom CA of residue 100
Atom OD1 of residue 40
Atom CE1 of residue 58
Atom CA of residue 64
LYS
MET
Atom CA of residue 9
Atom N of residue 530
Atom C of residue 63
Atom CA of residue 71
P2
Atom CA of residue 116
Atom CB of residue 133
Atom CA of residue 2676
LYS
Atom O of residue 76
LEU
ALA
LEU
ASP
SER
GLN
Atom CA of residue 114
Atom CA of residue 138
Atom CB of residue 27
ARG
Atom CA of residue 70
Atom CD of residue 151
LEU
Atom CB of residue 552
SER
Atom CA of residue 37
LEU
LYS
PRO
ILE
TYR
Atom CA of residue 578
MET
ARG
Atom CA of residue 305
GLU
Atom CD of residue 128
GLU
Atom O of residue 482
Atom ND2 of residue 534
Atom CA of residue 73
LEU
THR
ASP
Atom CA of residue 67
Atom CA of residue 147
ARG
TYR
Atom O of residue 36
Atom C of residue 504
Atom C of residue 22
PHE
Atom CB of residue 139
Atom CA of residue 39
LEU
Atom NE1 of residue 104
Atom CA of residue 466
python stream
Atom CA of residue 553
Atom CD1 of residue 16
Atom CA of residue 17
THR
LEU
Atom O of residue 76
GLU
Atom OD2 of residue 51
Atom CA of residue 56
Atom CB of residue 19
Atom N of residue 146
Atom CA of residue 75
GLN
MET
Atom CH2 of residue 53
Atom CA of residue 464
Atom C of residue 85
THR
Atom C of residue 57
ASP
ILE
Atom CA of residue 447
CYS
LYS
ALA
Atom O of residue 100
Atom CD of residue 74
Atom CA of residue 265
Atom N of residue 550
GLY
Atom CA of residue 77
Atom O of residue 97
LEU
Atom NE2 of residue 63
VAL
Atom CA of residue 381
ILE
Atom O of residue 14
ARG
Atom CA of residue 371
SER
Atom O of residue 22
Atom CA of residue 104
Chain A
Atom CA of residue 22
Atom CD of residue 72
Atom CA of residue 142
Atom OE1 of residue 151
Atom CA of residue 300
LYS
Atom CA of residue 2662
Atom CA of residue 65
Atom CA of residue 39
SER
PRO
GLU
Atom OH of residue 87
Atom O of residue 63
Atom CA of residue 5
ALA
Atom CA of residue 15
Atom CD of residue 19
SER
Atom CA of residue 47
Atom CD of residue 123
Atom CB of residue 57
LEU
ALA
Atom CD1 of residue 41
Atom CG of residue 27
Atom N of residue 483
PHE
Atom CB of residue 534
Atom NZ of residue 500
VAL
Atom CA of residue 492
Atom CA of residue 5
Atom CA of residue 389
Atom CA of residue 139
Atom CA of residue 551
GLY
Atom OH of residue 134
Atom CA of residue 94
Atom CA of residue 25
Atom CA of residue 2645
PRO
Atom CA of residue 48
ASP
Atom ND2 of residue 95
Atom CA of residue 97
MET
Atom CA of residue 153
TYR
Atom CA of residue 468
Atom CA of residue 30
Atom CE2 of residue 58
LEU
Atom CA of residue 2689
LYS
Atom CA of residue 506
HIS
Atom CA of residue 148
Atom CA of residue 7
Atom CB of residue 36
Atom CA of residue 41
Atom CA of residue 225
ASP
Atom CA of residue 150
Atom C of residue 134
Atom CA of residue 474
MET
ASP
Atom CD2 of residue 16
Atom CA of residue 39
PRO
Atom O of residue 6
LYS
VAL
Atom CA of residue 521
GLU
Atom CA of residue 47
Atom CA of residue 559
Atom O of residue 41
Atom CG2 of residue 86
Atom CB of residue 76
Atom N of residue 124
Atom CA of residue 88
LYS
Atom CG of residue 20
Atom CG1 of residue 97
Atom O of residue 504
Atom CA of residue 6
Atom C of residue 43
Atom CA of residue 86
Atom CE2 of residue 104
Atom CA of residue 95
Atom CA of residue 49
Atom CA of residue 242
Atom N of residue 23
Atom CA of residue 451
GLY
Atom CA of residue 587
Atom CZ of residue 58
Atom O of residue 55
Atom CA of residue 83
Atom CA of residue 72
Atom CA of residue 448
Atom CA of residue 108
VAL
SER
Atom C of residue 100
Atom CA of residue 460
Atom CB of residue 482
Atom CG of residue 515
ARG
Atom O of residue 57
ARG
Atom CA of residue 73
Atom CA of residue 18
Atom CZ of residue 155
LEU
Atom N of residue 54
Atom CG of residue 139
Atom N of residue 501
ASP
ALA
Atom CA of residue 570
VAL
Atom CB of residue 14
Atom NH2 of residue 125
Atom C of residue 567
Atom CA of residue 152
LEU
Atom CA of residue 404
Atom CB of residue 100
Atom CA of residue 137
Atom CA of residue 102
Atom CA of residue 202
/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
Atom CA of residue 15
Atom O of residue 52
GLU
TYR
Atom CD2 of residue 63
ASN
GLU
ILE
GLU
VAL
THR
VAL
Atom CA of residue 34
TRP
Atom CA of residue 442
Atom CA of residue 2691
PRO
Atom CA of residue 65
Atom CA of residue 41
LEU
SER
Atom CA of residue 52
Atom CA of residue 18
Atom CA of residue 360
Atom NZ of residue 74
Atom NE2 of residue 151
ARG
GLU
GLN
Atom CA of residue 122
Atom OE1 of residue 19
Atom C of residue 114
LYS
Atom CA of residue 84
LEU
Atom CA of residue 489
LYS
ILE
LYS
Atom N of residue 56
Atom CA of residue 10
Atom CA of residue 2641
SER
Atom C of residue 104
Atom N of residue 135
ILE
Atom CA of residue 117
Atom CA of residue 2639
Atom O of residue 100
Atom N of residue 129
TYR
TRP
ALA
Atom CA of residue 550
Atom N of residue 87
LYS
Atom ND1 of residue 20
Atom CA of residue 32
Atom CD of residue 552
Atom NH2 of residue 84
Atom O of residue 43
Atom CD of residue 125
Atom C of residue 448
Atom CA of residue 100
Atom CA of residue 8
Atom CA of residue 355
VAL
Atom CA of residue 482
ARG
Atom CA of residue 138
LEU
TYR
Atom CA of residue 530
Atom N of residue 78
Atom CG of residue 123
Atom N of residue 52
Atom CA of residue 56
Atom CA of residue 100
Atom N of residue 156
Atom CD of residue 139
PRO
Atom CD2 of residue 41
Atom O of residue 508
ILE
Atom CG2 of residue 97
AccumulateRigidBodyDerivatives1
MET
Atom CA of residue 222
GLU
Atom CA of residue 306
LEU
Atom CA of residue 493
Atom CA of residue 2677
Atom C of residue 83
Atom CG of residue 76
Atom CE3 of residue 104
Atom CA of residue 50
GLN
Atom N of residue 73
Atom O of residue 114
SER
Atom CD of residue 515
Atom N of residue 64
Atom N of residue 53
Atom N of residue 64
Atom C of residue 108
GLN
PRO
GLY
MET
Atom CB of residue 504
Atom CA of residue 24
LEU
Atom CA of residue 24
LEU
Atom CA of residue 21
SER
ARG
ALA
THR
ILE
ASP
HIS
Atom CA of residue 448
PHE
Model 48
Atom N of residue 553
Atom CA of residue 40
Atom CA of residue 382
Atom C of residue 34
Atom NE of residue 125
Atom CA of residue 554
Atom CD of residue 27
ALA
ALA
ASP
Atom CA of residue 372
Atom CG of residue 100
Atom CA of residue 138
Atom N of residue 75
Atom N of residue 535
TRP
ALA
Atom CA of residue 56
PHE
Atom CA of residue 13
Atom CA of residue 40
ARG
THR
Atom CB of residue 104
Atom C of residue 122
Atom CA of residue 151
Atom CA of residue 66
LYS
Atom CG of residue 21
LYS
ALA
Atom C of residue 86
GLY
Atom CA of residue 582
Atom CA of residue 149
Model 43
Atom CG of residue 36
Atom CA of residue 49
Atom C of residue 24
PHE
Atom N of residue 2
ASP
GLN
Atom CE1 of residue 16
Atom CA of residue 109
Atom CA of residue 44
Atom CA of residue 462
Atom CA of residue 226
Atom N of residue 152
Atom O of residue 567
SER
SER
GLY
TYR
Atom CA of residue 2690
PHE
Atom SD of residue 76
Atom CA of residue 78
Atom CA of residue 46
Atom NE1 of residue 41
Atom CB of residue 100
PRO
Atom CA of residue 469
Atom CB of residue 508
GLU
NormalizeRotation4
CYS
ALA
MET
Atom C of residue 530
PRO
Atom CA of residue 583
ASP
SER
Atom CA of residue 49
Atom N of residue 59
LYS
Atom CA of residue 475
Atom CA of residue 266
Atom CB of residue 43
Atom CA of residue 78
Atom CB of residue 122
PRO
PRO
GLU
ALA
Atom CA of residue 390
Atom NE2 of residue 43
Atom CA of residue 140
PHE
Atom O of residue 108
LEU
Atom OG1 of residue 14
THR
Atom CA of residue 86
Atom OE2 of residue 19
THR
ARG
Atom CA of residue 2646
Atom CA of residue 522
ALA
GLU
Atom O of residue 24
Atom CA of residue 48
Atom CA of residue 98
MET
VAL
ALA
LYS
Atom CA of residue 153
Atom NE of residue 27
Atom CA of residue 301
Atom CA of residue 552
Atom CA of residue 453
Atom ND2 of residue 567
Atom CA of residue 2663
LEU
Atom CA of residue 24
CYS
Atom N of residue 454
Atom CB of residue 114
Atom CG of residue 147
Atom CE of residue 96
Atom CA of residue 31
Atom CA of residue 483
Atom CA of residue 139
Atom CZ of residue 147
Atom CA of residue 111
Atom CA of residue 42
VAL
UpdateRigidBodyMembers17
DensityMap1062
Atom C of residue 550
Atom CD of residue 21
Atom CA of residue 73
Atom O of residue 86
Atom CA of residue 68
Atom CA of residue 48
Atom CD of residue 36
Atom CA of residue 39
Atom OD1 of residue 508
VAL
ILE
Atom CE2 of residue 16
LEU
Atom CA of residue 405
Atom OD1 of residue 100
Atom CA of residue 2642
Atom CA of residue 8
Atom CA of residue 507
Atom CB of residue 108
Atom CA of residue 571
GLN
Atom CA of residue 151
ASN
Atom CA of residue 70
Atom CA of residue 203
GLU
Atom CA of residue 47
Atom CA of residue 89
Atom CA of residue 129
Atom OG of residue 504
ALA
ALA
PRO
LEU
MET
Atom O of residue 83
Atom O of residue 34
Atom N of residue 15
Atom O of residue 104
Atom CA of residue 361
Atom CA of residue 135
Atom N of residue 568
Atom CA of residue 443
ARG
Atom CA of residue 76
Atom CA of residue 560
MET
TYR
Atom CA of residue 123
LYS
Atom O of residue 122
Atom CA of residue 2641
ILE
Atom CA of residue 24
THR
Atom CD2 of residue 20
Atom CG of residue 508
GLN
Atom C of residue 17
LYS
Atom CA of residue 2678
Atom N of residue 44
Atom CA of residue 78
Atom CA of residue 52
DensityMap10
Atom CA of residue 205
Atom CA of residue 19
Atom CB of residue 24
Atom CA of residue 103
LEU
LYS
Atom CA of residue 490
Atom CA of residue 14
VAL
Fit restraint scratch map
ASP
Atom CA of residue 7
VAL
Atom CZ of residue 125
THR
Atom N of residue 20
GLN
SER
Atom CA of residue 134
LYS
Atom NE of residue 515
Atom OE1 of residue 139
Atom CA of residue 133
Atom CE of residue 76
Atom N of residue 28
Atom CA of residue 356
Atom CA of residue 54
Atom CA of residue 64
Atom CA of residue 495
Atom O of residue 550
PHE
ASN
UnaryFunction0
Atom CA of residue 555
SER
Atom CA of residue 72
ASP
MET
LYS
MET
Atom CA of residue 50
LYS
LEU
ARG
Atom CD1 of residue 63
SER
Atom CA of residue 53
SER
Atom CG of residue 57
Atom CA of residue 73
Atom CA of residue 11
Atom CA of residue 2679
PHE
PRO
VAL
SER
ALA
Atom CA of residue 2692
Atom ND2 of residue 508
THR
GLY
Atom CG of residue 100
Atom CZ of residue 27
Atom CA of residue 156
VAL
GLU
Atom C of residue 483
Atom CA of residue 223
Atom CA of residue 56
/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
Atom CA of residue 19
Atom CZ2 of residue 104
Atom CA of residue 455
Atom CA of residue 583
Atom CA of residue 146
Atom CA of residue 307
LEU
Atom CA of residue 501
VAL
Atom CA of residue 33
Atom CA of residue 15
Atom CB of residue 83
Atom CA of residue 99
Atom CG of residue 108
GLU
Atom CA of residue 556
Atom C of residue 568
PRO
Atom OE1 of residue 36
TRP
ARG
ARG
GLN
Atom CA of residue 267
Atom CA of residue 87
Atom CA of residue 383
LEU
Atom CA of residue 77
ILE
Atom CZ of residue 16
THR
Atom CE1 of residue 20
Atom CA of residue 373
Atom N of residue 505
ASP
LYS
Atom N of residue 35
Atom CB of residue 86
Atom CA of residue 57
SER
Atom C of residue 135
LYS
PRO
ALA
Atom CA of residue 71
Atom CA of residue 137
LYS
Atom CA of residue 41
Atom CA of residue 553
Atom O of residue 530
Atom CB of residue 550
SER
Atom CD1 of residue 57
Atom CA of residue 118
THR
LEU
ALA
Atom O of residue 51
Atom CA of residue 302
Atom CG of residue 63
Atom C of residue 64
VAL
Atom CA of residue 110
Atom CG of residue 114
Atom ND1 of residue 20
Atom CZ of residue 515
Atom NE2 of residue 139
ALA
Atom CA of residue 507
VAL
PRO
Atom CE2 of residue 104
ASN
LEU
Atom O of residue 485
GLU
THR
GLU
Atom CA of residue 391
PRO
Atom CA of residue 206
GLY
Atom CA of residue 49
Atom CA of residue 449
Atom CA of residue 73
PRO
TYR
Atom OD1 of residue 100
Atom CA of residue 2648
ARG
Atom C of residue 54
ASP
Atom CA of residue 508
ASP
Atom CA of residue 79
ILE
Atom CZ3 of residue 104
Atom O of residue 135
Atom C of residue 145
Atom C of residue 73
Atom C of residue 129
Atom CA of residue 99
GLY
Atom CA of residue 227
TYR
Atom CA of residue 40
GLU
ASP
ALA
GLU
Atom CA of residue 34
Atom CA of residue 50
Atom O of residue 483
Atom CA of residue 476
LEU
Atom CA of residue 5
Atom NH1 of residue 125
LEU
Atom OD2 of residue 100
Atom CA of residue 88
THR
PHE
Atom CB of residue 530
Atom N of residue 22
Atom C of residue 78
Atom C of residue 52
Atom C of residue 156
THR
Atom C of residue 56
Atom OG1 of residue 24
Atom CA of residue 49
Atom CA of residue 2691
Atom C of residue 53
Atom O of residue 64
Atom CA of residue 3
PRO
ARG
Atom CA of residue 459
Atom CA of residue 514
Atom CA of residue 2664
Atom CA of residue 67
Atom CA of residue 453
Atom CA of residue 553
ASN
Atom CA of residue 152
Atom NE2 of residue 20
Atom CA of residue 59
GLU
Atom CA of residue 31
ALA
Atom CA of residue 112
Atom CA of residue 535
Atom CA of residue 104
Atom O of residue 35
GLU
Atom CA of residue 106
Atom CA of residue 456
Atom CA of residue 154
Atom CD1 of residue 114
Atom NH1 of residue 27
Atom CA of residue 32
Atom CA of residue 152
Atom C of residue 64
Atom C of residue 87
ALA
Atom CA of residue 96
ALA
Atom CA of residue 406
MET
Atom O of residue 134
LYS
Atom CA of residue 41
Atom N of residue 77
ALA
GLU
Atom CD2 of residue 20
Atom CA of residue 470
LEU
Atom C of residue 501
Atom C of residue 553
Atom CA of residue 142
Atom CA of residue 37
Atom CA of residue 584
Atom CA of residue 111
Atom CA of residue 133
Atom CA of residue 523
Atom NE2 of residue 36
Atom CA of residue 19
Atom CA of residue 362
THR
Atom CA of residue 90
THR
Atom OH of residue 16
Atom O of residue 73
Atom CA of residue 2693
GLN
Atom CA of residue 441
Atom CG of residue 550
PHE
Atom C of residue 15
THR
Atom CD2 of residue 57
Atom N of residue 574
ALA
Atom CB of residue 51
Atom CA of residue 444
ASN
Atom O of residue 54
Atom CA of residue 105
ARG
Atom CA of residue 57
TYR
PHE
LEU
Atom O of residue 145
Atom CA of residue 23
Atom O of residue 129
Atom CA of residue 447
Atom CA of residue 43
PHE
THR
Atom CA of residue 20
Atom CG of residue 19
Atom CA of residue 37
Atom CB of residue 485
ASN
ALA
Atom N of residue 25
ASP
Atom CA of residue 29
GLU
Atom CG of residue 86
GLN
Atom CA of residue 454
Atom CA of residue 207
Atom N of residue 485
Atom N of residue 101
GLU
Atom O of residue 501
Atom O of residue 553
Atom CA of residue 44
Atom O of residue 78
Atom O of residue 52
Atom CA of residue 2647
ALA
Atom CA of residue 357
ARG
Atom C of residue 59
Atom N of residue 509
VAL
Atom C of residue 535
DensityMap0
Atom CA of residue 136
ASN
ASP
ALA
Atom CA of residue 74
Atom CA of residue 572
Atom CG of residue 104
Atom CA of residue 153
GLU
Atom CA of residue 34
Atom CA of residue 32
Atom CA of residue 130
Atom CA of residue 28
Atom CA of residue 204
Atom CA of residue 12
GLU
ARG
LEU
Atom CA of residue 16
GLY
ILE
VAL
Atom NH2 of residue 27
Atom CA of residue 308
SER
PRO
Atom O of residue 64
Atom CG of residue 530
ASN
LYS
THR
ASN
Atom CA of residue 77
Atom CA of residue 455
ILE
Atom CB of residue 35
Atom CA of residue 43
LYS
GLU
Atom C of residue 152
VAL
ALA
Atom OG1 of residue 485
Atom N of residue 37
PRO
Atom CB of residue 134
ARG
THR
Atom CA of residue 276
Atom CA of residue 491
Atom CA of residue 28
Atom CG of residue 122
ILE
Atom N of residue 17
Atom NH1 of residue 515
Atom OE2 of residue 83
VAL
Atom CA of residue 384
Atom CB of residue 64
Atom CA of residue 58
PRO
Atom CA of residue 435
ASP
Atom CA of residue 584
LEU
SER
LYS
LEU
Atom CA of residue 374
PRO
PRO
Atom N of residue 140
Atom CA of residue 268
PRO
VAL
Atom O of residue 87
Atom CA of residue 5
Atom CD1 of residue 86
Atom CA of residue 78
LYS
PHE
ILE
LEU
Atom CA of residue 485
Atom CA of residue 42
Atom SD of residue 108
Atom CB of residue 135
LYS
Atom CA of residue 134
GLU
Atom CA of residue 38
VAL
LEU
Atom CA of residue 54
Atom CA of residue 48
Atom CA of residue 2640
Atom CA of residue 38
Atom OD2 of residue 100
Atom O of residue 57
Atom CA of residue 303
LEU
Atom CA of residue 2692
SER
ASN
Atom N of residue 23
GLU
SER
Atom CA of residue 132
GLU
ASP
GLU
Atom C of residue 454
Atom CB of residue 73
Atom O of residue 156
Atom CA of residue 224
Atom CB of residue 54
Atom NH2 of residue 515
Atom C of residue 44
Atom CA of residue 22
THR
LEU
VAL
SER
Atom CA of residue 50
PHE
Atom CA of residue 81
Atom CA of residue 37
Atom O of residue 53
Atom CA of residue 17
Atom CD1 of residue 104
SER
Atom OD1 of residue 122
Atom CA of residue 208
Atom CA of residue 115
Atom CA of residue 471
Atom C of residue 485
Atom C of residue 101
Atom O of residue 59
Atom CA of residue 505
Atom O of residue 535
Atom CB of residue 501
VAL
Atom CA of residue 509
Atom CA of residue 35
Atom CA of residue 87
TYR
ILE
PRO
ASN
Atom CA of residue 30
CYS
Atom CA of residue 508
GLN
Atom CH2 of residue 104
Atom CA of residue 137
LEU
Atom CG of residue 51
Atom CA of residue 51
Atom CA of residue 228
Atom O of residue 152
Atom CA of residue 494
Atom CA of residue 2693
Atom CA of residue 392
Chain A
Atom CA of residue 86
MapReaderWriter3
Atom CD2 of residue 114
Atom CB of residue 129
GLU
Atom CG of residue 134
Atom CA of residue 77
GLN
Atom N of residue 516
Atom N of residue 84
Atom CA of residue 143
Atom CA of residue 2641
Atom CA of residue 86
Atom CA of residue 23
Atom CA of residue 456
Atom CA of residue 2665
Atom CA of residue 58
Atom CB of residue 78
LYS
Atom C of residue 28
Atom N of residue 53
Atom CA of residue 4
Atom N of residue 58
LEU
GLY
Atom CB of residue 156
Atom CA of residue 2649
Atom CB of residue 57
SER
SER
Atom CA of residue 97
Atom CA of residue 91
Atom CA of residue 155
GLU
Atom CA of residue 408
Atom CA of residue 17
Atom CA of residue 140
Atom CG of residue 64
Atom CD of residue 530
Atom CA of residue 450
Atom CB of residue 87
UpdateRigidBodyMembers6
Atom CE of residue 108
GLU
Atom CA of residue 21
Atom CA of residue 119
Atom N of residue 101
Atom CG2 of residue 485
ILE
ALA
LYS
Atom CA of residue 80
Atom CG of residue 64
Atom CA of residue 573
Atom N of residue 47
GLY
Atom CA of residue 205
Atom CB of residue 53
Atom CA of residue 38
ASN
ARG
Atom CA of residue 363
SER
SER
Atom O of residue 454
Atom CA of residue 524
LYS
Atom CG of residue 54
Atom CA of residue 477
ARG
Atom CA of residue 113
Atom CD2 of residue 86
Atom OG1 of residue 135
Atom CB of residue 20
python stream rigid body
GLY
Atom CA of residue 89
Atom CA of residue 78
THR
Atom CA of residue 40
Atom N of residue 105
LEU
GLU
ASP
PHE
Atom CA of residue 25
Atom N of residue 502
Atom CA of residue 149
Atom CA of residue 50
GLY
Atom CA of residue 42
Atom CA of residue 460
Atom CA of residue 22
Model 19
Atom CA of residue 49
SER
Atom N of residue 115
Atom CA of residue 27
ASN
Atom N of residue 554
ARG
Atom CA of residue 554
Atom CA of residue 492
Atom CA of residue 150
Atom CA of residue 33
Atom C of residue 505
Atom CA of residue 2630
Atom C of residue 35
Atom OG1 of residue 35
VAL
Atom CA of residue 358
Atom N of residue 28
Atom N of residue 130
Atom CA of residue 33
LYS
Atom CD of residue 78
ASN
Atom CA of residue 26
Atom OD2 of residue 122
ALA
ILE
Atom CA of residue 585
Atom CA of residue 574
Atom CA of residue 209
Atom CA of residue 116
Atom OD1 of residue 51
ASP
GLN
Atom CA of residue 472
Atom CA of residue 24
Atom SD of residue 64
Atom CA of residue 13
Atom CD1 of residue 550
Atom CA of residue 119
Atom CA of residue 141
Atom CA of residue 75
Atom O of residue 28
LEU
SER
ASP
PHE
Atom CA of residue 101
SER
Atom CB of residue 59
Atom C of residue 25
Atom CB of residue 535
ALA
GLN
LEU
THR
ALA
Atom CA of residue 91
GLU
Atom CA of residue 25
ASP
LEU
Atom CB of residue 152
Atom CA of residue 1
ASP
Atom CE of residue 530
Atom CA of residue 13
Atom N of residue 126
LYS
ALA
VAL
Atom CA of residue 2648
Atom CA of residue 445
Atom CA of residue 35
THR
ASP
Atom CA of residue 225
SER
LEU
Atom CD2 of residue 104
Atom CA of residue 59
VAL
GLY
Atom CA of residue 62
Atom C of residue 91
PHE
VAL
Atom CA of residue 309
ILE
SER
VAL
Atom CA of residue 448
Atom CA of residue 2680
GLY
Atom CA of residue 277
PHE
GLY
Atom CG of residue 73
Atom N of residue 157
LEU
Atom CA of residue 154
SER
THR
Atom CA of residue 59
Atom CA of residue 385
Atom CD1 of residue 64
mol0
PHE
Atom O of residue 44
PHE
ALA
Atom CG2 of residue 14
SER
Atom CA of residue 88
Atom CA of residue 585
Atom CA of residue 120
LYS
ARG
Atom N of residue 486
Atom CA of residue 509
Atom O of residue 25
Atom CD1 of residue 134
Atom CA of residue 43
P1
Atom CA of residue 442
Atom CA of residue 461
Atom CG2 of residue 35
Atom CA of residue 79
VAL
ALA
VAL
Atom CG of residue 53
SER
LYS
Atom CA of residue 557
Atom CA of residue 87
Atom CA of residue 34
Atom CA of residue 72
ARG
Atom C of residue 77
GLY
Atom N of residue 87
Atom CB of residue 454
Atom CA of residue 31
Atom CD2 of residue 550
Atom C of residue 119
CYS
GLU
Atom CA of residue 126
Atom CA of residue 58
Atom CA of residue 37
Atom CA of residue 80
PRO
Atom CA of residue 393
Atom N of residue 109
GLY
Atom O of residue 17
GLY
ILE
THR
Atom O of residue 505
Atom CE of residue 64
Atom CB of residue 553
Atom C of residue 84
LEU
TYR
Atom C of residue 574
CYS
ALA
Atom CA of residue 23
LYS
Atom CA of residue 229
Atom CA of residue 82
LEU
Atom C of residue 140
ALA
Atom CA of residue 269
Atom C of residue 22
THR
Atom CA of residue 81
Atom CA of residue 26
ALA
Atom OE2 of residue 483
Atom N of residue 153
ARG
LYS
Atom CB of residue 44
ARG
Atom CD1 of residue 89
Atom O of residue 35
HIS
Atom CA of residue 210
Atom CD of residue 73
Atom OD1 of residue 508
ALA
Atom CA of residue 2650
GLY
Atom CA of residue 478
Atom CG of residue 87
ASP
ILE
ASP
Atom CA of residue 90
Atom CA of residue 71
Atom CA of residue 304
Atom CA of residue 114
Atom C of residue 23
Atom CA of residue 87
ALA
Atom CB of residue 25
Atom CA of residue 51
Atom CB of residue 28
Atom CA of residue 59
LEU
LYS
Atom O of residue 56
Atom CA of residue 516
PRO
Atom CA of residue 43
Atom CA of residue 555
Atom CA of residue 13
ILE
Atom CA of residue 2642
Atom CG2 of residue 135
Atom CA of residue 132
Atom CA of residue 44
python stream rigid body rigid body positions
Atom CA of residue 51
LYS
MET
GLY
ASP
Atom O of residue 77
LEU
VAL
Atom CA of residue 34
Atom CA of residue 409
Atom CG of residue 59
ALA
Atom CD of residue 54
Atom CG of residue 535
PHE
Atom CA of residue 510
ILE
TYR
HIS
PHE
TYR
Atom CA of residue 156
Atom CE of residue 74
Atom C of residue 509
PRO
Atom O of residue 140
ASN
ALA
Atom CA of residue 451
Atom CA of residue 509
Atom CA of residue 80
Atom NE1 of residue 104
Atom OG of residue 454
Atom CB of residue 17
Atom CA of residue 117
HIS
Atom CA of residue 115
Atom O of residue 84
Atom CA of residue 574
Atom CA of residue 364
Atom C of residue 126
Atom N of residue 24
GLN
PRO
Atom CD2 of residue 134
Atom CA of residue 457
Atom CA of residue 206
python stream
Atom O of residue 22
Atom CA of residue 39
python stream
Atom N of residue 36
Atom N of residue 123
Atom CA of residue 92
Atom CA of residue 28
Atom OD2 of residue 51
PRO
Atom CA of residue 52
Atom CA of residue 44
Atom O of residue 119
Atom CA of residue 57
Atom CA of residue 6
Atom CA of residue 98
Atom CA of residue 586
Atom O of residue 91
Atom O of residue 574
ALA
Atom CA of residue 2649
Atom CA of residue 446
Atom C of residue 37
Model 10
Atom CA of residue 37
Atom CD1 of residue 53
VAL
Atom CE of residue 78
Atom CD1 of residue 87
ASP
THR
Atom CA of residue 53
PRO
Atom CA of residue 28
Atom CA of residue 473
ILE
Atom CA of residue 449
Atom CA of residue 150
Atom CA of residue 121
Atom CA of residue 88
Atom O of residue 101
Atom CA of residue 151
PHE
Atom CA of residue 2666
LYS
Atom CA of residue 493
Atom CA of residue 60
Atom CA of residue 359
GLN
Atom CA of residue 36
Atom CB of residue 505
Atom C of residue 516
Atom CA of residue 106
Atom CA of residue 7
Atom CB of residue 35
Atom OE2 of residue 20
LYS
Atom CA of residue 115
ILE
Atom NZ of residue 530
SER
Atom CG of residue 28
Atom CA of residue 105
Atom CA of residue 101
Atom OE1 of residue 54
ILE
Atom CA of residue 14
Atom OG1 of residue 44
Atom CA of residue 47
Atom CA of residue 211
Atom ND2 of residue 508
Atom CB of residue 64
ASN
Atom CA of residue 155
python stream
TYR
Atom N of residue 74
LYS
VAL
LEU
GLY
ALA
Atom C of residue 58
Atom CA of residue 124
ASP
Atom NZ of residue 101
Atom O of residue 509
Atom CA of residue 73
Atom CA of residue 35
Atom CA of residue 130
TYR
Atom CA of residue 89
LEU
Atom CD of residue 59
Atom C of residue 57
Atom CG2 of residue 24
SER
Atom CD1 of residue 535
Atom CA of residue 2681
HIS
ASN
Atom CA of residue 462
Atom CA of residue 20
Atom CA of residue 278
SER
HIS
Atom CB of residue 126
Atom N of residue 136
Atom CA of residue 45
ALA
Atom CA of residue 130
Atom C of residue 77
ILE
PRO
Atom CA of residue 386
SER
Atom C of residue 53
Atom CA of residue 27
PRO
Atom N of residue 52
Atom CA of residue 157
Atom CA of residue 310
LYS
Atom CA of residue 35
Atom CA of residue 227
Atom CA of residue 502
TYR
Atom CA of residue 583
GLU
GLY
GLY
CYS
Atom CA of residue 35
Atom CA of residue 2
Atom CA of residue 232
TYR
Atom CA of residue 29
Atom CA of residue 566
Atom CA of residue 44
Atom NZ of residue 78
ASP
LEU
Atom CB of residue 77
Atom CA of residue 586
Atom CA of residue 587
Atom CA of residue 118
LEU
ALA
Atom CA of residue 558
Atom CA of residue 63
Atom CB of residue 91
PHE
THR
Atom CA of residue 458
SER
Atom N of residue 531
VAL
VAL
Atom CB of residue 140
ALA
Atom CB of residue 97
ASP
MET
GLY
Atom CA of residue 109
Atom CD2 of residue 64
Atom C of residue 87
Atom N of residue 21
ALA
SER
GLN
LYS
Atom CD2 of residue 53
Atom CB of residue 22
Atom CD2 of residue 87
Atom CA of residue 135
Atom CA of residue 2680
Atom CB of residue 574
GLU
VAL
GLN
ASP
Atom CB of residue 15
Atom CE1 of residue 550
LEU
LEU
Atom O of residue 58
Atom CA of residue 76
Atom C of residue 115
Atom CB of residue 101
Atom CA of residue 452
Atom CA of residue 32
Atom C of residue 105
THR
Atom C of residue 101
LEU
ARG
Atom CA of residue 270
Atom CA of residue 82
Atom CA of residue 584
Atom CA of residue 468
Atom C of residue 47
GLU
Atom C of residue 28
Atom CA of residue 137
ALA
Atom CA of residue 123
Atom O of residue 37
GLN
Atom CA of residue 230
Atom OE2 of residue 54
LEU
Atom CE1 of residue 134
Atom CA of residue 479
PRO
PRO
Atom CA of residue 394
Atom CA of residue 463
PRO
Atom C of residue 109
PRO
Atom CA of residue 212
Atom CA of residue 91
Atom OG of residue 505
Atom CA of residue 305
Atom CA of residue 132
THR
Atom CA of residue 510
SER
Atom CA of residue 99
VAL
LYS
Atom CA of residue 486
Atom CA of residue 2651
Atom CA of residue 68
Atom CA of residue 70
Atom CA of residue 67
Atom CG1 of residue 15
PRO
VAL
Atom CA of residue 52
ALA
Atom N of residue 455
LYS
Atom C of residue 130
Atom CA of residue 92
Atom CA of residue 2667
Atom CG2 of residue 44
Atom CB of residue 119
ARG
Atom CA of residue 556
Atom O of residue 53
Atom O of residue 105
ARG
Atom CA of residue 50
Atom CA of residue 88
Atom CA of residue 52
Atom CB of residue 509
Atom CA of residue 82
GLU
PHE
Atom CA of residue 153
TYR
THR
PRO
ASN
python stream
ARG
Atom CA of residue 511
THR
Atom O of residue 126
LYS
Atom CB of residue 58
Atom CA of residue 73
Atom CA of residue 22
GLU
PHE
Atom CA of residue 445
Atom CE2 of residue 550
THR
Atom CA of residue 36
Atom CB of residue 109
ALA
Atom CE1 of residue 64
ASP
Atom CA of residue 57
Atom CA of residue 365
LEU
ARG
Atom CA of residue 8
Atom CG of residue 22
GLU
Atom CA of residue 90
Atom OG1 of residue 35
THR
Atom CA of residue 100
Atom OG of residue 574
SER
Atom CG2 of residue 15
ASP
Atom CA of residue 554
Atom CA of residue 87
LEU
Atom CA of residue 93
Atom CA of residue 20
Atom CA of residue 76
GLU
ALA
Atom CE3 of residue 104
ILE
Atom CA of residue 2650
Atom CA of residue 447
Atom N of residue 509
Atom CA of residue 18
Atom CE2 of residue 134
Atom O of residue 516
Atom CD of residue 28
Atom O of residue 47
Atom O of residue 28
Atom N of residue 506
CYS
Atom C of residue 502
Atom CG of residue 77
Atom CA of residue 2644
Atom CA of residue 51
PRO
Atom CA of residue 360
Atom C of residue 486
Atom CB of residue 37
Atom CA of residue 107
THR
SER
Atom CE1 of residue 87
python stream
LYS
VAL
Atom CA of residue 77
Atom CA of residue 10
Atom CG of residue 101
Atom CE of residue 59
PHE
Atom CA of residue 36
SER
Atom CD2 of residue 535
Atom CA of residue 575
ASP
Atom CA of residue 2629
Atom OG1 of residue 91
Atom CA of residue 157
Atom CG of residue 140
Atom CA of residue 207
LEU
Atom N of residue 118
Atom CA of residue 15
Atom CA of residue 14
Atom N of residue 54
Atom CA of residue 452
CYS
Atom CA of residue 40
Atom CA of residue 90
TYR
Atom CA of residue 119
Atom O of residue 101
Atom CA of residue 100
LYS
GLN
Atom N of residue 45
Atom CG1 of residue 119
Atom CB of residue 105
Atom CA of residue 28
/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/input/1z5s_20.imp.mrc
PRO
Atom O of residue 46
GLY
ILE
Atom OG of residue 509
PRO
Atom CA of residue 40
Atom O of residue 109
Atom CA of residue 27
Atom C of residue 157
Atom CA of residue 36
Atom CA of residue 38
Atom N of residue 55
Atom CA of residue 30
Atom CA of residue 567
Atom CA of residue 2630
Atom CG2 of residue 35
ASP
Atom CA of residue 74
Atom C of residue 74
GLY
Atom CA of residue 311
Atom CA of residue 5
Atom CD1 of residue 15
Atom CA of residue 156
Atom CA of residue 443
Atom CA of residue 68
Atom CA of residue 279
Atom CA of residue 494
Atom CA of residue 469
GLU
ALA
MET
Atom C of residue 153
Atom CA of residue 151
THR
Atom CA of residue 101
Atom CA of residue 387
Atom CA of residue 13
Atom CA of residue 7
Atom CA of residue 433
Atom O of residue 130
Atom CA of residue 152
Atom CA of residue 450
Atom N of residue 29
ARG
Atom CA of residue 585
LEU
LEU
LEU
LEU
Atom CA of residue 45
Atom O of residue 502
Atom CA of residue 84
Atom CD of residue 77
Atom CA of residue 134
PHE
Atom C of residue 123
Atom CG of residue 58
Atom O of residue 115
Atom CA of residue 52
SER
PRO
VAL
Atom CZ of residue 550
GLY
ASN
Atom CA of residue 139
Atom CA of residue 2682
GLU
GLN
Atom CG2 of residue 91
LYS
PRO
Atom CA of residue 74
Atom CB of residue 46
LYS
Atom CA of residue 27
Atom CG of residue 78
TYR
Atom CB of residue 53
VAL
Atom CA of residue 77
Atom CA of residue 525
Atom O of residue 157
Atom NH1 of residue 147
Atom O of residue 486
Atom NZ of residue 59
VAL
Atom N of residue 536
Atom CA of residue 136
THR
Atom CA of residue 122
NullModifier5
PRO
GLY
Atom CZ of residue 134
ILE
Atom CA of residue 531
VAL
Atom CA of residue 395
GLY
PRO
SER
Atom CG2 of residue 117
CYS
Atom CA of residue 464
Atom O of residue 87
PHE
Atom CZ2 of residue 104
Atom N of residue 48
Atom CA of residue 559
Atom CA of residue 64
Atom CA of residue 89
Atom CA of residue 151
Atom CB of residue 516
Atom OD1 of residue 140
LEU
Atom CA of residue 33
Atom C of residue 554
ARG
Atom CA of residue 88
ALA
Atom CA of residue 61
Atom CA of residue 53
Atom CA of residue 455
Atom CB of residue 101
Atom CA of residue 89
Atom CA of residue 40
GLY
Atom CA of residue 34
GLN
MET
Atom C of residue 13
PHE
Atom N of residue 116
ALA
GLY
GLY
Atom CD1 of residue 22
Atom CE2 of residue 64
MET
Atom CA of residue 587
SER
VAL
Atom CA of residue 120
Atom CA of residue 102
ALA
ARG
VAL
Atom CA of residue 226
Atom CA of residue 444
Atom O of residue 123
Atom CB of residue 28
Atom CA of residue 231
LEU
Atom CA of residue 34
GLU
VAL
Atom CA of residue 11
Atom CD of residue 101
Atom CA of residue 2652
LYS
VAL
SER
Atom N of residue 36
Atom C of residue 36
Atom CA of residue 84
ASP
Atom CA of residue 75
Atom CB of residue 130
GLU
Atom CA of residue 2668
Atom C of residue 88
Atom CA of residue 511
LYS
Atom N of residue 575
LEU
ASN
Atom CA of residue 22
GLY
LEU
PRO
Atom CA of residue 2645
Atom C of residue 136
P2
Atom C of residue 433
Atom C of residue 52
Atom CA of residue 153
Atom O of residue 554
VAL
THR
Atom CG of residue 53
Atom CA of residue 366
Atom OG of residue 37
Atom CA of residue 480
ALA
Atom CA of residue 271
LYS
Atom CA of residue 470
LEU
PHE
Atom C of residue 20
Atom CA of residue 92
GLY
LYS
Atom CG1 of residue 117
Atom CA of residue 41
Atom CA of residue 40
Atom NE of residue 77
Atom CZ of residue 64
MET
Atom CA of residue 109
LYS
GLU
Atom CA of residue 15
Atom ND2 of residue 140
Atom CB of residue 502
Atom CA of residue 53
Atom OH of residue 550
Atom CA of residue 465
TYR
LYS
SER
Atom N of residue 92
Atom CA of residue 79
Atom CG of residue 46
Atom CA of residue 567
Atom O of residue 153
Atom CA of residue 306
Atom CA of residue 116
Atom C of residue 531
Atom C of residue 54
HIS
Atom CG2 of residue 119
Atom CA of residue 557
Atom CZ3 of residue 104
Atom CB of residue 123
VAL
DensityMap13
Atom CA of residue 78
Atom CB of residue 157
Model 51
LYS
Atom CA of residue 41
ASP
Atom C of residue 536
Atom CA of residue 152
Atom O of residue 36
Atom CA of residue 489
Atom O of residue 13
CoarseCC3
SER
Atom CA of residue 361
ARG
GLN
ASN
Atom CA of residue 45
Atom O of residue 40
Atom CA of residue 148
VAL
Atom CD2 of residue 22
VAL
Atom OG of residue 126
Atom CA of residue 143
GLU
Atom CB of residue 486
Atom N of residue 510
Atom CA of residue 81
VAL
Atom N of residue 29
ASP
Atom CA of residue 16
Atom CA of residue 512
Atom N of residue 110
Atom CA of residue 576
Atom CA of residue 457
Atom CA of residue 10
Atom CA of residue 52
PHE
Atom O of residue 52
HIS
Atom C of residue 15
Atom CA of residue 208
GLU
ASP
Atom CB of residue 87
Atom CA of residue 62
Atom CA of residue 58
Atom CA of residue 94
PRO
ILE
Atom CA of residue 509
Atom CA of residue 2683
GLY
Atom CA of residue 71
Atom O of residue 74
Atom CA of residue 2651
Atom CA of residue 448
THR
Atom N of residue 38
LYS
TRP
Atom CA of residue 466
Atom CA of residue 108
SER
GLU
Atom CA of residue 123
Atom O of residue 20
Atom CA of residue 90
LEU
GLU
Atom CG of residue 482
Atom C of residue 148
Atom CA of residue 280
Atom O of residue 136
Atom CE of residue 101
PHE
Atom CG of residue 516
Atom CA of residue 157
Atom CA of residue 86
Atom CA of residue 495
Atom CG of residue 105
Atom CA of residue 471
Atom C of residue 455
Atom CA of residue 65
Atom CD of residue 147
Atom CA of residue 506
ASN
Atom CA of residue 451
Atom CA of residue 31
Atom N of residue 120
MET
Atom CA of residue 39
ILE
Atom CA of residue 2643
GLU
THR
Atom CA of residue 91
Atom CA of residue 560
Atom CA of residue 101
Atom N of residue 60
Atom CA of residue 312
Atom O of residue 15
PHE
TYR
Atom CA of residue 46
Atom CA of residue 586
Atom CA of residue 40
LEU
Atom CA of residue 34
Atom CB of residue 153
Atom CB of residue 554
Atom CA of residue 2684
Atom CB of residue 40
Atom CA of residue 45
SER
Chain D
SER
Atom CA of residue 90
ASN
PRO
Atom CB of residue 117
THR
Atom CA of residue 29
Atom CA of residue 23
Atom CH2 of residue 104
Atom CA of residue 121
GLN
Atom CG of residue 101
Atom OH of residue 134
Atom CA of residue 568
PHE
Atom CA of residue 67
PRO
Atom CD1 of residue 18
GLU
LEU
ALA
Atom O of residue 54
Atom N of residue 551
ALA
PHE
Atom N of residue 127
SER
Atom CA of residue 80
SER
Atom C of residue 509
Atom CA of residue 55
GLN
Atom CA of residue 9
Atom CG1 of residue 123
ASN
Atom CA of residue 561
VAL
Atom CA of residue 79
GLU
ILE
ILE
THR
VAL
Atom CD of residue 88
VAL
Atom CB of residue 36
Atom OD2 of residue 59
CoarseCC8
Atom OD1 of residue 482
GLY
Atom O of residue 148
Atom CA of residue 102
Atom CA of residue 24
ALA
LEU
python stream rigid body
PRO
Atom CD1 of residue 58
Atom CD of residue 46
Atom CG of residue 130
LYS
LEU
Atom CD1 of residue 516
SER
Atom CA of residue 536
GLU
LYS
Atom CA of residue 272
Atom N of residue 65
ILE
ASN
Atom CA of residue 25
Atom CA of residue 232
Atom C of residue 506
Atom CG of residue 502
ALA
GLU
LEU
Atom CA of residue 575
Atom N of residue 53
ARG
Atom CD1 of residue 53
Atom CD of residue 105
Atom O of residue 455
Atom CA of residue 110
ILE
Atom CG of residue 157
VAL
Atom N of residue 135
Atom CA of residue 307
LYS
HIS
Atom CA of residue 36
LEU
MET
HIS
Atom CA of residue 72
Atom CB of residue 74
Atom CB of residue 433
GLU
GLY
Atom CA of residue 467
Atom CA of residue 152
Atom CA of residue 82
PRO
ASP
Atom CB of residue 20
ASN
Atom CD of residue 101
THR
Atom CA of residue 2653
Atom OD2 of residue 482
Atom OG of residue 109
xxx.em
Atom CA of residue 64
Atom CA of residue 53
ALA
Atom CA of residue 60
Atom N of residue 141
LYS
Atom CA of residue 134
Atom O of residue 531
Atom CA of residue 512
LEU
Atom CA of residue 3
Atom CA of residue 54
ASN
VAL
Atom CA of residue 555
GLN
Atom CA of residue 513
Atom C of residue 45
LEU
Atom CA of residue 333
Atom CA of residue 466
Atom CA of residue 460
Atom CD2 of residue 18
Atom CA of residue 367
P1
Atom CB of residue 136
Atom CA of residue 48
LEU
Atom CA of residue 116
Atom CA of residue 154
THR
Atom CA of residue 551
Atom C of residue 29
VAL
ARG
Atom CA of residue 12
Atom CA of residue 59
Atom CG1 of residue 486
Atom CA of residue 51
Atom CA of residue 481
Atom C of residue 118
Atom OG1 of residue 40
ASP
Atom CA of residue 141
Atom CD2 of residue 58
LEU
Atom CA of residue 92
PRO
PRO
Atom CA of residue 144
ARG
Atom CD of residue 130
Atom CA of residue 93
Atom CA of residue 510
Atom N of residue 21
ASN
Atom CE1 of residue 22
Atom CA of residue 4
Atom N of residue 89
Atom CA of residue 42
Atom N of residue 78
Atom CA of residue 41
Atom CA of residue 122
Atom O of residue 509
Atom C of residue 55
Atom CA of residue 117
Atom CA of residue 109
Atom CD1 of residue 502
LYS
Atom OG1 of residue 87
Atom N of residue 47
ARG
Atom CA of residue 87
Atom CA of residue 2669
TYR
Atom CB of residue 54
Atom CA of residue 558
Atom CD2 of residue 53
Atom CA of residue 31
Atom CA of residue 362
LYS
Atom CD of residue 157
Atom CA of residue 153
Atom CA of residue 46
PRO
Atom CA of residue 490
Atom CA of residue 80
VAL
ALA
SER
Atom CA of residue 2650
Atom CB of residue 531
Atom CA of residue 28
Atom CA of residue 2650
THR
Atom CA of residue 143
Atom CA of residue 17
LEU
Atom CA of residue 81
Atom CG of residue 433
Atom CA of residue 78
Atom O of residue 506
GLU
Atom CD2 of residue 516
Atom CA of residue 9
LYS
ASP
Atom CA of residue 72
VAL
Atom CA of residue 110
Atom CA of residue 21
LYS
THR
PRO
Atom CA of residue 95
Atom CG of residue 153
PHE
Atom CA of residue 16
Atom OE1 of residue 105
Atom CA of residue 2652
Atom CA of residue 449
VAL
Atom N of residue 102
Atom CG2 of residue 486
LEU
THR
Atom CA of residue 54
ASP
PHE
Atom CA of residue 467
Atom CG of residue 36
Atom CA of residue 281
Atom CA of residue 83
SER
GLU
PHE
ASP
ILE
Atom CA of residue 17
Atom N of residue 105
Atom CE of residue 101
Atom CA of residue 38
Atom CA of residue 52
Atom CA of residue 464
Atom N of residue 555
Atom CA of residue 20
MET
Atom CG2 of residue 87
LYS
Atom CA of residue 472
Atom C of residue 48
Atom CA of residue 66
Atom CG of residue 20
LEU
Atom C of residue 116
Atom CA of residue 29
LYS
CYS
ARG
Atom CA of residue 32
Atom CA of residue 47
Atom CA of residue 135
Atom CE2 of residue 22
Atom C of residue 575
Atom O of residue 55
LYS
Atom CA of residue 35
Atom CA of residue 22
Atom CB of residue 455
ARG
ASP
Atom CA of residue 313
Atom CA of residue 103
Atom CA of residue 120
ASP
Atom CA of residue 577
LYS
Atom CA of residue 454
Atom CA of residue 487
GLN
Atom CA of residue 217
GLU
Atom CA of residue 85
Atom N of residue 578
Atom OE1 of residue 130
TYR
Atom CA of residue 21
Atom CA of residue 153
GLU
Atom CA of residue 569
Atom O of residue 536
Atom CG2 of residue 40
LEU
LEU
Atom CA of residue 83
ALA
Atom CA of residue 131
GLY
ALA
Atom CA of residue 563
PRO
SER
Atom CA of residue 83
ILE
Atom CD2 of residue 502
LYS
VAL
Atom CA of residue 88
LYS
GLU
Atom CD of residue 153
Atom O of residue 45
Atom CA of residue 65
Atom N of residue 54
ILE
LYS
Atom CG of residue 74
LEU
Atom CA of residue 55
Atom C of residue 60
GLU
PHE
Atom CH2 of residue 41
Atom SD of residue 36
Atom CA of residue 496
Atom CA of residue 587
Atom CA of residue 111
Atom CA of residue 81
VAL
LYS
Atom N of residue 532
ASP
Atom C of residue 36
GLN
TYR
SER
Atom C of residue 510
Atom CA of residue 273
ASN
Atom CD of residue 20
Atom CA of residue 82
Atom CB of residue 509
Atom C of residue 21
Atom N of residue 483
Atom CE1 of residue 536
Atom CA of residue 61
Atom CG1 of residue 136
ALA
Atom CA of residue 91
LYS
ARG
VAL
Atom CA of residue 110
Atom O of residue 29
Atom CA of residue 105
Atom CA of residue 127
Atom CA of residue 123
Atom CA of residue 233
Atom CB of residue 506
ASP
Atom CA of residue 308
ARG
Atom CG2 of residue 123
Atom O of residue 575
Atom CA of residue 54
Atom C of residue 38
GLY
THR
LEU
Chain B
Atom CA of residue 446
Atom C of residue 551
LEU
Atom CA of residue 334
Atom CA of residue 86
ARG
ALA
Atom CG1 of residue 455
Atom CA of residue 83
ALA
Atom C of residue 29
Atom CA of residue 26
PRO
GLN
Atom CA of residue 68
Atom CA of residue 94
Atom C of residue 92
Atom CA of residue 145
Atom CA of residue 53
Atom O of residue 60
Atom CA of residue 465
LEU
Atom C of residue 141
Atom N of residue 42
Atom CA of residue 513
HIS
Atom CA of residue 368
Atom NZ of residue 101
Atom CA of residue 91
Atom NH2 of residue 147
Atom C of residue 61
LYS
Atom N of residue 41
Atom CA of residue 514
TRP
Atom CA of residue 23
Atom C of residue 120
Atom O of residue 36
Atom OE2 of residue 105
DensityMap866
Atom CA of residue 132
Atom CD of residue 74
Atom N of residue 517
Atom O of residue 110
ALA
Atom CA of residue 60
Atom C of residue 127
MET
PRO
ASP
Atom N of residue 56
ALA
Atom CB of residue 45
Atom CA of residue 135
/scratch/nightly-build-3697/imp-SVN.r14111/modules/em/test/input/1z5s_10.mrc
Atom CA of residue 1
Atom CG of residue 18
Atom CA of residue 63
Atom CA of residue 142
Atom CA of residue 2651
Atom O of residue 433
Atom CA of residue 455
HIS
Atom CG1 of residue 54
Atom CA of residue 36
Atom CB of residue 29
Atom CA of residue 20
Atom CA of residue 473
Atom CA of residue 100
Atom CE1 of residue 58
LEU
Atom CA of residue 79
Atom CB of residue 536
Atom CA of residue 35
TYR
Atom CG2 of residue 136
Atom CA of residue 363
Atom NE2 of residue 130
Atom O of residue 510
Atom CA of residue 2670
Model 26
Atom CA of residue 514
VAL
THR
Atom OG of residue 509
Atom CA of residue 2654
Atom CA of residue 135
Atom CE of residue 153
Atom N of residue 124
Atom O of residue 92
GLU
Atom O of residue 116
LYS
Atom CA of residue 136
Atom CA of residue 18
Atom CD1 of residue 532
Atom CA of residue 18
ARG
VAL
Atom O of residue 127
ILE
Atom CA of residue 144
Atom CA of residue 118
Atom CA of residue 468
THR
Atom CA of residue 578
Atom O of residue 48
GLU
PHE
Atom CA of residue 130
ARG
Atom CA of residue 141
Atom CA of residue 218
LEU
Fit restraint scratch map
Atom CA of residue 43
Atom CA of residue 74
PHE
ARG
VAL
Atom N of residue 148
Atom CA of residue 82
Atom CA of residue 53
Atom CA of residue 130
Atom CA of residue 482
GLU
Atom CA of residue 47
THR
Atom CA of residue 92
CYS
Atom CA of residue 78
Atom CG of residue 24
VAL
Atom CA of residue 94
LEU
Atom CA of residue 69
LYS
Atom CZ of residue 22
Atom CA of residue 282
Atom CA of residue 124
Atom N of residue 102
VAL
Atom CE1 of residue 502
Atom CA of residue 154
Atom CG of residue 555
ILE
Atom CA of residue 124
Atom N of residue 487
Atom CA of residue 88
Atom NE of residue 13
ILE
TYR
ALA
Atom CA of residue 104
Atom CA of residue 559
Atom CA of residue 497
GLU
Atom CE2 of residue 58
ALA
GLY
Atom CA of residue 314
Atom CB of residue 119
Atom CA of residue 48
LYS
Atom CA of residue 491
Atom CZ3 of residue 16
Atom CA of residue 45
Atom CA of residue 125
Atom O of residue 29
Atom OG of residue 506
Atom CA of residue 36
GLU
Atom C of residue 65
Atom N of residue 88
Atom CA of residue 433
Atom CA of residue 131
Atom CA of residue 44
Atom CA of residue 92
Atom C of residue 53
Atom CA of residue 148
Atom CA of residue 102
PHE
PRO
TRP
Atom CA of residue 84
Atom CA of residue 63
Atom CB of residue 36
Atom CA of residue 20
GLN
Atom N of residue 106
Atom CB of residue 48
VAL
GLU
LEU
Atom CB of residue 116
Atom N of residue 131
TYR
Atom CA of residue 80
Atom CA of residue 46
PRO
Atom N of residue 533
Atom CG2 of residue 54
Atom CB of residue 127
Atom CB of residue 575
Atom CB of residue 60
Atom C of residue 135
GLU
PHE
Atom CE of residue 36
Atom CA of residue 136
Atom CA of residue 2632
Atom CA of residue 112
LYS
GLY
Atom CA of residue 154
GLU
Atom CA of residue 570
Atom CA of residue 2685
LEU
THR
Atom OG1 of residue 29
Atom CA of residue 54
Atom CA of residue 2653
Atom CA of residue 134
ASP
Atom CG of residue 536
GLN
LEU
Atom O of residue 551
LYS
Atom CA of residue 67
Atom CD1 of residue 24
ILE
PRO
Atom CA of residue 22
LeavesRefiner3
GLY
Atom CA of residue 56
Atom CA of residue 83
Atom O of residue 38
Atom CA of residue 54
TYR
Atom CE2 of residue 502
Atom C of residue 555
Atom CA of residue 433
Atom CG2 of residue 455
Atom OE1 of residue 20
Atom CB of residue 92
Atom CA of residue 327
Atom CA of residue 133
ARG
PRO
Atom CZ of residue 13
Atom NZ of residue 153
Atom CA of residue 137
Atom CA of residue 2651
Atom N of residue 23
TYR
Atom CA of residue 335
LEU
Atom C of residue 110
ALA
Atom C of residue 12
Atom CA of residue 93
Atom CA of residue 562
LEU
GLU
Atom CA of residue 27
HIS
GLN
GLU
Atom CA of residue 456
Atom O of residue 53
Atom CA of residue 80
THR
Atom O of residue 120
LYS
Atom O of residue 65
ASP
GLN
Atom CA of residue 39
Atom CB of residue 510
TYR
Atom CG1 of residue 119
LYS
Atom CA of residue 469
Atom CA of residue 578
LEU
HIS
PHE
Atom CA of residue 517
VAL
Atom CA of residue 447
Atom CG1 of residue 45
ARG
HIS
Atom CA of residue 234
Atom CA of residue 2655
GLU
Atom CA of residue 145
Atom O of residue 135
ALA
ASP
ALA
Atom N of residue 37
ILE
GLY
ASN
Atom CB of residue 29
Atom CB of residue 147
Atom N of residue 507
GLY
PRO
Atom CA of residue 369
Atom CZ of residue 58
Atom NZ of residue 74
LEU
Atom CG of residue 575
Atom CA of residue 92
VAL
Atom C of residue 102
SER
Atom N of residue 39
ILE
Atom CA of residue 274
VAL
LEU
LEU
Atom CA of residue 97
Atom OE2 of residue 20
Atom N of residue 510
Atom CA of residue 285
ARG
PRO
Atom CA of residue 119
MET
Atom CA of residue 133
Atom CA of residue 483
Atom CA of residue 70
Atom O of residue 555
Atom CA of residue 56
VAL
LEU
Atom CG of residue 48
TRP
VAL
Atom CG1 of residue 116
mol2 rigid body
Atom CA of residue 95
Atom NH1 of residue 13
Atom CA of residue 309
PRO
LEU
LYS
Atom CA of residue 48
Atom CB of residue 551
Atom CB of residue 120
Atom C of residue 79
Atom O of residue 12
Atom CG of residue 127
THR
Atom CA of residue 451
Atom CA of residue 55
PRO
Atom O of residue 141
Atom CA of residue 132
Atom N of residue 456
GLU
Atom CA of residue 364
Atom CA of residue 125
Atom CA of residue 89
Atom N of residue 154
Atom CA of residue 560
Atom CA of residue 75
Atom CA of residue 11
THR
Atom CA of residue 14
Atom C of residue 105
Atom CA of residue 2652
Atom CA of residue 146
ILE
Atom CB of residue 102
ASN
Atom CA of residue 21
Atom CA of residue 42
Atom CA of residue 492
Atom CA of residue 457
Atom CD1 of residue 136
ILE
Atom N of residue 31
Atom O of residue 147
PRO
Atom CA of residue 81
Atom CA of residue 483
Atom CA of residue 120
LEU
Atom CA of residue 515
Atom CG2 of residue 45
GLN
Atom CG of residue 36
python stream rigid body
HIS
GLU
ASN
ALA
GLU
Atom CG of residue 60
GLU
LYS
Atom CG of residue 510
Atom CZ of residue 502
SER
ASP
Atom CG2 of residue 29
Atom CA of residue 61
SER
Atom CA of residue 21
Atom CA of residue 328
ASP
Atom C of residue 487
GLU
Atom CA of residue 49
Atom O of residue 10
Atom N of residue 93
Atom CA of residue 99
Atom CD1 of residue 536
Atom CA of residue 219
Atom CA of residue 44
Atom C of residue 578
Atom CA of residue 46
PHE
ILE
Atom CG of residue 441
ASN
Atom CA of residue 56
Atom CA of residue 41
Atom CA of residue 2641
SER
Atom O of residue 79
Atom CA of residue 283
Atom C of residue 88
VAL
GLU
Atom CA of residue 2654
Model 42
Atom N of residue 55
ILE
Atom CA of residue 94
Atom CB of residue 53
Atom CA of residue 286
Atom CA of residue 81
LEU
Atom CA of residue 85
Atom CA of residue 111
Atom CA of residue 155
Atom CA of residue 2652
Model 23
SER
GLN
Atom CA of residue 474
Atom CB of residue 582
Atom CA of residue 134
ALA
GLN
LYS
Atom CB of residue 135
Atom CA of residue 2671
Atom CA of residue 36
Atom CA of residue 49
LEU
LEU
Atom CA of residue 14
ASN
Atom CA of residue 498
Atom CA of residue 584
Atom CB of residue 32
VAL
Atom CA of residue 126
Atom CA of residue 79
ILE
Atom CA of residue 2656
Atom CA of residue 37
Atom CA of residue 65
Atom O of residue 102
Atom CA of residue 5
PRO
Atom CA of residue 19
Atom C of residue 54
Fit restraint
Atom N of residue 137
VAL
Atom N of residue 59
Atom N of residue 21
Atom CD of residue 441
VAL
Atom CA of residue 315
Atom CA of residue 47
ILE
Atom C of residue 483
LEU
Atom CA of residue 470
Atom SD of residue 36
Atom O of residue 105
Atom O of residue 24
VAL
Atom CA of residue 71
Atom CB of residue 555
Atom CA of residue 105
Atom C of residue 124
Atom CA of residue 102
VAL
Atom CA of residue 84
GLU
Atom CA of residue 57
Atom CA of residue 2686
Chain A
LYS
Atom CG of residue 551
Atom CG of residue 120
NormalizeRotation1
Atom C of residue 11
Atom CD of residue 127
Atom CA of residue 46
TYR
Atom CG2 of residue 116
LYS
Atom C of residue 517
GLY
GLY
Atom CA of residue 27
Atom C of residue 42
Atom CA of residue 126
Atom CA of residue 149
GLU
MET
GLU
ARG
DensityMap1
Atom CB of residue 10
Atom C of residue 106
Atom CA of residue 144
Atom CA of residue 68
CYS
Atom CA of residue 41
Atom CD1 of residue 60
ASN
Atom C of residue 19
Atom CB of residue 141
Atom CA of residue 21
Atom O of residue 578
ARG
Atom N of residue 75
LEU
Atom CG2 of residue 119
LEU
Atom N of residue 46
VAL
Atom CA of residue 336
Atom CB of residue 105
Atom CA of residue 563
Atom CG of residue 29
Atom CA of residue 131
LYS
SER
PHE
GLU
ILE
VAL
HIS
LEU
Atom CB of residue 110
Atom N of residue 30
Atom CB of residue 65
Atom O of residue 54
LEU
Atom CA of residue 113
LYS
Atom CD1 of residue 575
PRO
LEU
Atom C of residue 56
THR
ASP
GLU
Atom CA of residue 235
Atom CA of residue 155
Atom O of residue 483
Atom CD2 of residue 536
Atom C of residue 23
THR
Atom CA of residue 102
Atom CG of residue 32
Atom CA of residue 28
Atom CA of residue 510
PHE
Atom CA of residue 448
Atom CB of residue 79
ASP
Atom CA of residue 54
Atom CA of residue 96
Atom O of residue 487
Atom O of residue 19
Atom CA of residue 33
Atom CA of residue 571
TRP
PRO
Atom CA of residue 454
Atom CA of residue 57
THR
ILE
Atom CA of residue 471
Atom CA of residue 2
Atom CA of residue 370
ALA
Atom CA of residue 56
ASP
Atom CA of residue 6
Atom O of residue 517
GLN
PHE
Atom O of residue 88
Atom CA of residue 8
Atom CA of residue 2653
PRO
HIS
Atom CA of residue 86
Atom CA of residue 58
GLY
Atom CA of residue 275
Atom CA of residue 37
PRO
LEU
LEU
LYS
Atom CA of residue 93
Atom CD1 of residue 116
LYS
Atom CA of residue 434
Chain  
GLN
TYR
LYS
Atom C of residue 102
Atom N of residue 442
Atom CA of residue 450
Atom CD2 of residue 60
Atom OD1 of residue 510
Atom CA of residue 146
Atom CA of residue 484
Atom N of residue 120
GLY
MET
ALA
Atom CB of residue 24
Atom CD of residue 29
Atom CA of residue 96
HIS
Atom CA of residue 77
Atom CA of residue 310
Atom CA of residue 35
Atom C of residue 147
Atom CA of residue 365
Atom CA of residue 93
ARG
ASN
ASN
Atom CA of residue 582
Atom CD1 of residue 551
SER
input1.pdb
Atom CA of residue 87
Atom N of residue 128
TYR
GLY
Atom CA of residue 198
LEU
Atom CA of residue 507
Atom CA of residue 90
Atom CA of residue 2672
Atom N of residue 503
Atom C of residue 41
Atom CA of residue 561
Atom CG of residue 110
Atom CG of residue 65
Atom CA of residue 580
Atom CA of residue 68
Atom CD2 of residue 575
VAL
Atom CA of residue 39
PHE
Atom O of residue 56
Atom OG1 of residue 135
Atom CA of residue 2642
LEU
Atom CA of residue 493
Atom CB of residue 12
Atom CG of residue 105
Atom CA of residue 475
Atom CA of residue 63
VAL
GLU
GLN
Atom C of residue 131
Atom CB of residue 19
GLU
Atom CA of residue 68
Atom CA of residue 516
Atom O of residue 23
Atom CD1 of residue 120
Atom CA of residue 10
GLU
PHE
TYR
GLN
Atom CB of residue 578
Atom CA of residue 287
PHE
PHE
Atom CB of residue 483
Atom CA of residue 55
ALA
Atom CB of residue 54
Atom CD of residue 32
Atom CA of residue 566
Atom CA of residue 135
Atom CA of residue 2657
ASN
Atom CG of residue 141
Atom CD2 of residue 555
ARG
Atom CA of residue 106
LYS
Atom CA of residue 131
Atom CA of residue 284
LYS
Atom CG of residue 53
Atom CA of residue 154
ASP
Atom O of residue 11
Atom CA of residue 69
Atom CA of residue 59
Atom CA of residue 2655
ALA
Atom CA of residue 112
Atom CG2 of residue 532
Atom O of residue 42
Atom CA of residue 11
Atom CA of residue 47
LYS
VAL
Atom CA of residue 456
Atom CB of residue 487
ASN
TYR
Atom CA of residue 50
Atom CE of residue 36
ASP
GLU
Atom CA of residue 127
LEU
GLU
Atom ND2 of residue 510
Atom CA of residue 38
LYS
Atom C of residue 37
LEU
ASP
CYS
GLY
VAL
Atom CA of residue 20
Atom N of residue 24
Atom CB of residue 88
Atom O of residue 106
Atom CA of residue 47
THR
python stream
Atom CA of residue 120
Atom CA of residue 97
Atom CG2 of residue 135
Atom CA of residue 585
Atom CA of residue 220
Atom CA of residue 107
Atom CA of residue 15
HIS
Atom CA of residue 127
Atom C of residue 510
ASN
Atom CG of residue 19
Atom CB of residue 517
ASP
Atom O of residue 41
Atom CG of residue 79
VAL
ARG
ASP
Atom CA of residue 316
Atom CA of residue 86
LEU
Atom CA of residue 45
LYS
VAL
Atom CA of residue 21
Atom NE of residue 29
Atom CA of residue 6
Atom C of residue 507
Atom CA of residue 98
Atom CA of residue 78
Atom CA of residue 572
Atom CD2 of residue 120
Atom CD of residue 65
Atom CA of residue 143
Atom C of residue 566
LYS
VAL
Atom C of residue 39
Atom CD1 of residue 555
LYS
ALA
Atom CD2 of residue 551
Atom CA of residue 500
Atom CG of residue 578
PHE
Atom CA of residue 476
Atom CA of residue 137
LEU
Atom O of residue 124
Fit restraint
ALA
Atom CA of residue 77
Atom CD1 of residue 53
Atom CG of residue 483
Atom CA of residue 156
LEU
Atom CA of residue 46
Atom CB of residue 11
Atom CG of residue 10
Atom CA of residue 103
Atom CA of residue 55
Atom CA of residue 581
Atom CA of residue 136
Atom C of residue 55
Atom CB of residue 42
Atom CA of residue 337
THR
Atom O of residue 15
Atom O of residue 102
ASP
SER
PHE
Atom N of residue 57
Atom CA of residue 2687
Atom N of residue 37
Atom N of residue 5
Atom CA of residue 36
Atom CD of residue 141
GLU
Atom CE2 of residue 536
GLN
Atom CA of residue 515
Atom CA of residue 136
LYS
PRO
Atom CA of residue 141
Atom C of residue 154
Atom CD1 of residue 6
Atom CA of residue 499
Atom CA of residue 95
Atom CG1 of residue 92
Atom CG of residue 102
Atom CA of residue 48
Atom CA of residue 156
ILE
Atom CA of residue 2653
ALA
Atom C of residue 456
Atom N of residue 33
Atom CA of residue 55
Atom CA of residue 29
Atom CA of residue 94
Atom CA of residue 87
Atom CA of residue 55
ALA
TRP
ALA
Atom ND1 of residue 79
Atom CA of residue 564
GLY
Atom CA of residue 29
ILE
Atom N of residue 117
Atom O of residue 131
Atom N of residue 61
LYS
LEU
Atom CA of residue 236
THR
GLY
Atom CA of residue 37
ILE
Atom CA of residue 371
Atom O of residue 510
ALA
Atom CA of residue 58
Atom CA of residue 288
Atom CA of residue 503
GLN
Atom CA of residue 472
Atom C of residue 59
Atom CA of residue 69
GLY
Atom CD2 of residue 18
LEU
ILE
Atom N of residue 5
ALA
Atom CA of residue 30
ASP
Atom CG1 of residue 54
Atom CA of residue 66
Atom CA of residue 32
ASP
ALA
Atom CA of residue 23
ALA
Atom SD of residue 10
GLY
Atom CB of residue 106
Atom CA of residue 57
Atom N of residue 136
GLU
Atom O of residue 55
Atom CA of residue 552
PHE
ARG
Atom CE1 of residue 575
Atom CA of residue 128
Atom CA of residue 95
TYR
GLY
LYS
Atom CB of residue 41
ASN
Atom CB of residue 124
GLN
Atom CA of residue 366
Atom OD1 of residue 102
Atom O of residue 507
Atom CA of residue 55
ASP
Atom CA of residue 583
ASN
LYS
THR
Atom C of residue 137
Atom CA of residue 2654
PHE
Atom CB of residue 15
Atom CB of residue 102
Atom CA of residue 442
LEU
Atom CA of residue 120
Atom CA of residue 68
GLY
Atom CZ of residue 29
LYS
Atom CA of residue 2673
ALA
Atom CA of residue 4
PHE
Atom CE of residue 65
Atom CA of residue 128
LEU
PRO
Atom CG of residue 517
Atom CA of residue 435
LEU
Atom C of residue 533
SampledDensityMap62
Atom CG of residue 11
THR
GLN
Atom CG of residue 487
PRO
SER
THR
Atom CA of residue 453
Atom CG of residue 42
ARG
ARG
ASP
Atom CA of residue 116
PHE
Atom CA of residue 88
ARG
Atom CA of residue 485
Atom CA of residue 137
GLN
Atom CA of residue 2643
Atom CA of residue 276
ASN
Atom O of residue 37
Atom CD of residue 105
SampledDensityMap25
Atom CA of residue 88
Atom O of residue 59
GLN
Atom CG2 of residue 92
Atom CA of residue 30
Atom CB of residue 131
Atom CA of residue 97
GLY
Atom CA of residue 7
Atom N of residue 19
ALA
Atom CA of residue 121
Atom CA of residue 46
Atom CA of residue 285
Atom CG of residue 88
Atom CG2 of residue 54
Atom O of residue 137
ALA
GLN
Atom CA of residue 151
Atom N of residue 511
GLU
Atom CG of residue 106
TYR
Chain C
Atom CA of residue 91
Atom CA of residue 311
Atom CG1 of residue 4
Atom CD of residue 483
Atom CA of residue 50
Atom C of residue 24
Atom CA of residue 562
Atom CA of residue 11
Atom CA of residue 41
GLU
LEU
LEU
Atom CA of residue 5
GLN
SER
Atom O of residue 39
Atom CA of residue 56
Atom CA of residue 51
Atom CE1 of residue 551
ALA
Atom CA of residue 494
Atom OD1 of residue 110
Atom CA of residue 566
Atom CA of residue 48
Atom O of residue 456
Atom C of residue 21
Atom O of residue 117
Atom CA of residue 39
Atom CA of residue 31
PRO
GLU
Atom CE2 of residue 575
PRO
TYR
Atom CZ of residue 536
Atom CA of residue 21
GLY
Atom CA of residue 61
GLY
PRO
Atom CA of residue 88
Atom CA of residue 317
Atom CA of residue 56
Atom O of residue 154
Atom CA of residue 2688
Atom CA of residue 517
Atom N of residue 121
Atom CA of residue 7
Atom CD1 of residue 517
Atom CA of residue 113
Atom CA of residue 221
Atom CA of residue 2654
GLY
Atom CB of residue 37
MET
Atom CE of residue 10
Atom ND1 of residue 578
THR
ARG
Atom NH1 of residue 29
ALA
THR
Atom C of residue 46
Atom NZ of residue 65
Atom CA of residue 33
Atom CA of residue 56
PRO
Atom CA of residue 2656
Atom CA of residue 137
ALA
GLY
Atom CA of residue 49
Atom NE of residue 141
Atom C of residue 120
VAL
Atom OG of residue 124
Atom CB of residue 510
Atom OD2 of residue 102
Atom CA of residue 74
Atom CB of residue 507
Atom CA of residue 573
Atom CA of residue 514
Atom CB of residue 55
Atom CA of residue 38
Atom CA of residue 114
Atom CA of residue 78
Atom CA of residue 565
Atom CA of residue 95
ALA
CYS
SER
Atom CA of residue 449
Atom OD2 of residue 110
Atom CA of residue 69
Atom CA of residue 104
Atom CA of residue 62
Atom CA of residue 70
Atom CA of residue 129
Atom CD of residue 487
GLY
VAL
P0
Atom CA of residue 2689
Atom CB of residue 24
Atom CA of residue 338
Atom OE1 of residue 105
Atom CB of residue 137
Atom CD2 of residue 53
Atom CB of residue 39
Atom CA of residue 61
THR
Atom CA of residue 11
Atom C of residue 12
THR
Atom CE2 of residue 551
Atom C of residue 566
ILE
Atom O of residue 21
Atom CA of residue 117
VAL
Atom CG2 of residue 4
Atom C of residue 503
Atom CD2 of residue 79
Atom C of residue 30
ARG
Atom OD1 of residue 88
Atom CD of residue 11
SampledDensityMap14
TYR
Atom CA of residue 21
GLN
Atom CA of residue 50
ILE
Atom CD of residue 42
Atom CA of residue 473
Atom ND1 of residue 106
Atom CA of residue 96
Atom CA of residue 128
Atom CA of residue 31
THR
Atom O of residue 46
LYS
PHE
Atom CA of residue 37
VAL
Atom CA of residue 566
TYR
ASN
LEU
Atom N of residue 556
ARG
PHE
Atom CA of residue 24
Chain A
VAL
Atom CD2 of residue 578
Atom CA of residue 67
LYS
PRO
DensityMap2
Atom CB of residue 456
Atom CB of residue 59
Atom O of residue 566
Atom CA of residue 76
ALA
Atom C of residue 442
Atom CA of residue 289
Atom CB of residue 154
VAL
Atom OE1 of residue 483
GLU
Atom CA of residue 372
ASP
Atom NH2 of residue 61
GLY
MET
Atom O of residue 12
SER
SER
SER
SER
Atom N of residue 16
Atom CG of residue 102
ILE
Atom CA of residue 142
Atom CA of residue 237
Atom CA of residue 500
VAL
ARG
Atom CA of residue 11
Atom CA of residue 138
GLU
Atom CZ of residue 141
ASP
Atom CA of residue 139
Atom OH of residue 536
GLY
Atom CA of residue 277
LEU
Atom CA of residue 516
VAL
Atom CG of residue 510
Atom CA of residue 57
ASP
LEU
Atom CA of residue 21
THR
Atom N of residue 54
Atom CA of residue 30
Atom CA of residue 58
Atom CA of residue 136
Atom CA of residue 89
Atom O of residue 533
Atom CG of residue 37
Atom CA of residue 499
GLY
Atom CA of residue 115
Atom CA of residue 367
Atom CD2 of residue 517
Atom CA of residue 312
Atom O of residue 503
Atom C of residue 514
PRO
Atom O of residue 22
Atom N of residue 11
Atom C of residue 128
GLU
Atom N of residue 132
LYS
Atom CA of residue 10
Atom CA of residue 157
SER
TRP
MET
Atom N of residue 125
Atom CA of residue 33
SER
TYR
Atom O of residue 442
Atom CA of residue 150
Atom CA of residue 85
LYS
VAL
Atom O of residue 30
ASN
LYS
CYS
Atom CA of residue 27
Atom OE1 of residue 42
Atom N of residue 55
LYS
Atom CA of residue 130
Atom CA of residue 59
Atom CE1 of residue 79
Atom OE1 of residue 11
Atom CA of residue 34
Atom CG of residue 39
Atom CG of residue 507
Atom N of residue 18
VAL
Atom CA of residue 584
GLU
Atom C of residue 88
Atom CB of residue 566
TRP
Atom OD1 of residue 102
VAL
GLN
Atom CA of residue 486
Atom C of residue 6
Atom CA of residue 122
Atom CA of residue 114
LYS
Atom C of residue 22
Atom CA of residue 2644
Atom CG1 of residue 55
ILE
Atom C of residue 37
Atom O of residue 128
Atom CA of residue 13
Atom CA of residue 98
GLU
Atom CA of residue 47
Atom CA of residue 57
Atom OD1 of residue 59
Atom CZ of residue 575
Atom CA of residue 32
ASN
ASN
Atom CA of residue 51
Atom CB of residue 46
Atom CZ of residue 551
Atom CA of residue 121
Atom N of residue 111
Atom CA of residue 41
ARG
GLY
ILE
LYS
Atom CA of residue 92
Atom CA of residue 57
Atom CA of residue 2674
Atom CA of residue 52
Atom CB of residue 533
Atom CA of residue 563
Atom OE2 of residue 105
Atom CE1 of residue 578
GLN
VAL
Atom CA of residue 40
Atom CG of residue 503
Atom O of residue 120
Atom CA of residue 20
Atom CA of residue 2656
Atom CA of residue 495
Atom CA of residue 49
Atom CA of residue 89
Atom C of residue 117
Atom NH2 of residue 29
GLU
Atom N of residue 103
LEU
PRO
Atom CA of residue 87
CYS
Atom CA of residue 22
LEU
Atom N of residue 66
LEU
Atom O of residue 88
Atom CA of residue 243
Atom C of residue 57
Atom CA of residue 115
LEU
Atom CA of residue 62
TYR
Atom CD2 of residue 106
ASP
SER
Atom NE of residue 487
Atom CA of residue 8
Atom CA of residue 9
Atom C of residue 136
Atom N of residue 537
Atom CA of residue 437
Atom CA of residue 450
GLN
VAL
ARG
Atom CA of residue 2673
ASP
ASP
Atom CA of residue 154
THR
TRP
Atom CG of residue 59
VAL
Atom CA of residue 96
CYS
Atom CD1 of residue 507
Atom CA of residue 318
LEU
Atom OD2 of residue 88
Atom C of residue 33
Atom CA of residue 2657
Atom CA of residue 511
Atom N of residue 518
Atom CG2 of residue 55
LEU
Atom N of residue 552
Atom CA of residue 108
Atom CA of residue 224
Atom CD1 of residue 4
Atom OE2 of residue 483
Atom O of residue 514
VAL
ARG
Atom CB of residue 442
LYS
Atom CB of residue 120
Atom CA of residue 501
Atom CA of residue 556
Atom CG of residue 14
Atom OD1 of residue 37
Atom CA of residue 339
Atom CG of residue 456
Atom CB of residue 21
SER
Atom O of residue 136
ARG
LEU
PRO
SER
Atom N of residue 576
Atom CA of residue 70
LEU
VAL
GLU
Atom O of residue 43
GLN
GLU
Atom CA of residue 72
ARG
Atom N of residue 30
ILE
THR
Atom CA of residue 89
HIS
Atom CA of residue 58
Atom CA of residue 18
Atom CE of residue 154
rigid bodies list
ASP
Atom CA of residue 97
Atom CA of residue 16
Atom OD2 of residue 102
Atom CD of residue 39
LEU
Atom CA of residue 222
TYR
Atom CG of residue 137
Atom CA of residue 105
python stream rigid body rigid body positions
Atom CG of residue 117
Atom OD1 of residue 510
THR
VAL
Atom NH1 of residue 141
ASP
Atom CA of residue 574
ARG
VAL
Atom CA of residue 517
Atom CA of residue 133
Atom CA of residue 139
Atom O of residue 57
Atom CA of residue 238
Atom CA of residue 12
TYR
Atom CA of residue 88
ASP
Atom CA of residue 29
LYS
Atom CA of residue 373
Atom CD of residue 59
normalize rigid bodies
PRO
Atom CZ of residue 487
SER
Atom N of residue 534
PHE
Atom CA of residue 152
P1
Atom CA of residue 80
HIS
ARG
Atom CA of residue 60
Atom OD1 of residue 503
Atom CB of residue 43
GLU
LEU
Atom NE2 of residue 578
Atom CA of residue 132
Atom CA of residue 97
TRP
Atom CA of residue 30
LEU
PHE
Atom C of residue 18
Atom N of residue 484
GLY
Atom N of residue 89
Atom O of residue 566
Atom N of residue 106
Atom CA of residue 125
Atom O of residue 33
Atom CG of residue 566
SER
Atom CA of residue 278
Atom CE1 of residue 106
Atom CD1 of residue 456
PRO
Atom CA of residue 290
ALA
Atom CA of residue 2655
Atom N of residue 47
Atom C of residue 121
Atom NE2 of residue 79
Atom CB of residue 30
Atom CA of residue 55
PRO
Atom CA of residue 96
PHE
Atom CA of residue 59
Atom C of residue 511
Atom OE2 of residue 42
Atom ND2 of residue 37
Atom CG of residue 21
THR
GLU
Atom CA of residue 76
Atom CD2 of residue 507
GLU
ARG
Atom CA of residue 313
Atom NH2 of residue 141
Atom CB of residue 514
Atom O of residue 37
P2
Atom CA of residue 27
VAL
GLY
TYR
PRO
ASN
ASN
Atom CA of residue 90
Atom CB of residue 128
GLU
Atom CA of residue 31
Atom CA of residue 96
LEU
Atom CA of residue 103
LYS
THR
Atom NZ of residue 154
Atom N of residue 56
Atom CA of residue 451
THR
Atom C of residue 17
Atom CA of residue 54
Atom N of residue 40
Atom CG of residue 120
Atom CA of residue 557
Atom CD of residue 14
Atom CD1 of residue 137
Atom CA of residue 129
Atom CA of residue 88
Atom CA of residue 467
Atom ND2 of residue 510
Model 44
ARG
Atom OG of residue 7
GLY
ALA
Atom CA of residue 98
Atom CD of residue 566
Atom CA of residue 71
ILE
MET
Atom CA of residue 66
Atom N of residue 142
SER
ALA
Atom CA of residue 2645
Atom N of residue 80
Atom CA of residue 111
VAL
GLY
GLN
PRO
Atom ND2 of residue 503
Atom CA of residue 436
ARG
Atom N of residue 579
LEU
LEU
Atom N of residue 103
Atom OG of residue 442
GLU
Atom CA of residue 53
ARG
Atom CB of residue 37
ALA
Atom CB of residue 566
Atom CA of residue 41
Atom CA of residue 2675
Atom CA of residue 537
Atom CA of residue 87
Atom C of residue 556
Atom CG of residue 43
Atom N of residue 43
Atom CA of residue 106
Atom CE of residue 59
GLU
Atom CB of residue 57
Atom CA of residue 144
Atom CA of residue 123
Atom C of residue 154
Atom CA of residue 23
Atom O of residue 121
Atom CG of residue 30
GLY
Atom CB of residue 11
GLU
ARG
Atom CA of residue 244
Atom O of residue 511
TYR
Atom CA of residue 586
ASN
Atom CA of residue 17
PRO
Atom CG of residue 552
ALA
LEU
ALA
Atom C of residue 16
Atom CA of residue 31
PRO
Atom CA of residue 90
PRO
Atom CA of residue 52
Atom CA of residue 475
Atom C of residue 111
Atom O of residue 17
Atom CD1 of residue 135
Atom N of residue 57
Atom CA of residue 140
ASP
Atom CB of residue 17
Atom CB of residue 136
Atom CA of residue 223
THR
Atom CA of residue 48
LEU
Atom CD2 of residue 456
Atom CB of residue 33
PRO
Atom CD of residue 21
UpdateRigidBodyMembers9
ARG
GLU
Atom CA of residue 487
THR
Atom CA of residue 484
Atom CE1 of residue 128
Atom CA of residue 106
Atom C of residue 125
ARG
Atom CA of residue 99
Atom CA of residue 109
Atom O of residue 106
rigid bodies list
PRO
ALA
Atom CA of residue 225
SER
Atom CA of residue 246
Atom CA of residue 319
Atom C of residue 518
MapReaderWriter26
Atom CA of residue 57
ILE
Atom C of residue 132
Atom C of residue 54
Atom CA of residue 93
Atom CA of residue 59
Atom CB of residue 503
Atom CA of residue 564
Atom CA of residue 340
Atom CA of residue 58
Atom N of residue 443
Atom CA of residue 117
Atom CA of residue 146
Atom O of residue 154
Atom CA of residue 502
VAL
Atom CA of residue 496
Atom CB of residue 111
PRO
Atom CA of residue 50
Atom CD2 of residue 135
ASN
GLY
LYS
TYR
Atom CA of residue 66
Atom C of residue 55
Atom NE2 of residue 106
Atom CD2 of residue 137
Atom CA of residue 81
Atom CA of residue 130
TRP
Atom CA of residue 101
Atom CA of residue 533
Atom NH1 of residue 487
Atom CA of residue 13
PRO
LYS
Atom CA of residue 63
VAL
Atom CA of residue 107
Atom C of residue 123
Atom N of residue 567
Atom CA of residue 2690
LEU
Atom CG of residue 57
Atom CD1 of residue 120
Atom O of residue 556
ASN
CYS
ASN
ARG
ILE
Atom CG of residue 11
Atom CA of residue 30
Atom O of residue 54
Atom CA of residue 101
Atom CE1 of residue 507
LYS
Atom CG of residue 17
LYS
GLU
Atom CA of residue 575
Atom C of residue 537
Atom CA of residue 16
Atom CA of residue 374
SampledDensityMap84
Atom CA of residue 2658
Atom O of residue 16
Atom C of residue 103
LYS
TYR
ASP
ARG
GLU
Atom CG of residue 37
Atom CD of residue 30
Atom O of residue 125
Atom N of residue 136
ALA
ASP
ARG
Atom OG1 of residue 514
LYS
CYS
Atom CA of residue 518
Atom CA of residue 153
Atom CG of residue 33
Atom CA of residue 567
Atom CA of residue 61
Atom NH2 of residue 487
HIS
Atom CA of residue 239
TYR
LYS
Atom N of residue 38
CYS
Atom CG of residue 154
VAL
Atom C of residue 534
PRO
THR
Atom N of residue 107
Atom CA of residue 576
ASP
PRO
Atom CB of residue 511
Atom CD of residue 43
GLY
ALA
Atom O of residue 111
Atom CA of residue 89
LYS
d1q3sa1.pdb
Atom O of residue 132
LYS
ALA
Atom CA of residue 60
Atom CG1 of residue 136
Atom CA of residue 3
Atom O of residue 12
Atom O of residue 537
ILE
Atom C of residue 66
PRO
THR
Atom CA of residue 147
Atom CA of residue 518
Atom CE of residue 14
Atom N of residue 6
ARG
Atom CG of residue 566
HIS
Atom N of residue 457
ASP
Atom CA of residue 71
Atom OE1 of residue 21
Atom CA of residue 463
Atom N of residue 511
VAL
Atom CA of residue 77
Atom CA of residue 88
Atom CB of residue 121
THR
Atom O of residue 55
Atom C of residue 106
Atom CG of residue 128
Atom CA of residue 117
Atom CA of residue 141
Atom CA of residue 97
Atom N of residue 488
SER
ILE
THR
Atom CA of residue 91
Atom CA of residue 432
Atom NZ of residue 59
Atom CE2 of residue 507
Atom CD of residue 17
Atom CA of residue 124
Atom CA of residue 519
GLU
ALA
VAL
LEU
PHE
LEU
Atom O of residue 103
Atom CB of residue 154
Atom CD2 of residue 120
Atom C of residue 56
Atom CA of residue 279
SER
Atom CA of residue 97
Atom CB of residue 54
ASP
Atom CA of residue 45
Atom CA of residue 291
LEU
THR
GLY
Atom CG2 of residue 514
Atom CA of residue 53
Atom CA of residue 452
Atom CA of residue 47
ARG
Atom CA of residue 488
LEU
Atom CA of residue 136
Atom CA of residue 60
THR
Atom C of residue 30
Atom CA of residue 32
Atom CA of residue 101
Atom CA of residue 314
Atom C of residue 484
PHE
Atom CA of residue 587
TRP
ARG
Atom O of residue 123
Atom CA of residue 203
ARG
Atom CA of residue 60
Atom CA of residue 54
LEU
Atom CA of residue 23
Atom O of residue 9
Atom CA of residue 476
Atom CA of residue 30
Atom CD of residue 566
Atom CA of residue 143
GLU
Atom CA of residue 94
Atom OH of residue 11
Atom CA of residue 42
Atom CA of residue 125
Atom CA of residue 565
LYS
Atom CE1 of residue 137
Atom CA of residue 131
Atom CA of residue 133
Atom CA of residue 40
Atom OG1 of residue 511
SER
THR
Atom CA of residue 24
Atom OE1 of residue 43
Atom CA of residue 56
Atom NZ of residue 14
Atom CA of residue 497
Atom CA of residue 245
Atom CA of residue 103
ILE
Atom CA of residue 36
Atom CD of residue 154
GLN
Atom C of residue 552
Atom O of residue 66
Atom CB of residue 17
ASN
Atom C of residue 576
Atom CA of residue 43
Atom O of residue 39
Atom C of residue 89
Atom CA of residue 64
Chain C
Atom CB of residue 125
ILE
LEU
Atom N of residue 60
ASN
Atom OE2 of residue 21
THR
Atom CB of residue 103
Atom CA of residue 91
Atom C of residue 568
Atom CA of residue 142
Atom N of residue 485
PHE
HIS
Atom CG of residue 121
Atom OD1 of residue 37
Atom CE of residue 30
Fit restraint scratch map
ALA
Atom CA of residue 142
Atom CD of residue 117
Atom CA of residue 320
ARG
Atom N of residue 504
Atom CA of residue 49
VAL
Atom CA of residue 579
Atom CB of residue 16
PRO
SER
Atom N of residue 12
Atom CA of residue 116
ALA
LEU
Atom CA of residue 134
Atom CA of residue 2659
Atom CA of residue 226
Atom CA of residue 102
GLY
Atom CA of residue 247
THR
Fit restraint internal rb map
Model 9
Atom CA of residue 464
Atom CA of residue 103
SER
TRP
MET
Atom C of residue 47
Atom CA of residue 341
Atom CG of residue 17
Atom O of residue 17
ARG
Atom CA of residue 2676
Atom CA of residue 2657
Atom O of residue 534
ARG
LEU
ASP
Atom CD1 of residue 57
Atom CA of residue 7
Atom O of residue 518
Atom O of residue 6
ASN
TYR
ARG
VAL
Atom CB of residue 132
PRO
Atom CA of residue 585
Atom CA of residue 110
Atom CB of residue 9
SER
Atom CA of residue 46
LEU
PRO
Atom N of residue 515
Atom CA of residue 2691
Atom CA of residue 2647
Atom CA of residue 474
Atom O of residue 89
Atom CA of residue 107
PHE
GLU
VAL
LYS
Atom CA of residue 38
ILE
Atom CB of residue 55
Atom CD1 of residue 128
Atom OD1 of residue 33
UpdateRigidBodyMembers8
ASP
Atom C of residue 142
GLU
ALA
Atom CA of residue 375
VAL
Atom CA of residue 567
Atom CA of residue 204
Atom C of residue 40
Atom CZ of residue 507
Atom CG2 of residue 136
Atom N of residue 538
ILE
Atom N of residue 567
Atom CB of residue 123
Atom CA of residue 145
Atom CA of residue 443
ARG
MET
Atom N of residue 455
SER
Atom CG of residue 154
Atom CA of residue 503
Atom CA of residue 520
Atom ND2 of residue 37
Atom NZ of residue 30
Atom CA of residue 17
Atom CE2 of residue 137
Atom CA of residue 568
TYR
Atom OE1 of residue 117
Atom CA of residue 61
Atom CA of residue 90
Atom N of residue 15
Atom C of residue 43
Atom CA of residue 519
Atom CD of residue 111
Atom CG of residue 16
GLU
TYR
THR
Atom CG of residue 12
Atom O of residue 47
Atom N of residue 123
GLY
TYR
Atom CB of residue 17
Atom CA of residue 75
Atom CA of residue 73
Atom CA of residue 240
LEU
ARG
ASP
Atom CB of residue 556
LYS
ASN
LYS
GLU
Atom C of residue 579
Atom CA of residue 79
Atom O of residue 576
Atom CA of residue 33
Atom CA of residue 20
Atom CG of residue 103
Atom CD2 of residue 57
Atom CA of residue 59
ALA
Atom C of residue 567
ARG
Atom CA of residue 61
Atom CA of residue 4
SER
LYS
Atom CA of residue 60
Atom C of residue 103
Atom CA of residue 292
Atom N of residue 121
LEU
LEU
Atom CD of residue 17
PHE
Atom C of residue 107
Atom CA of residue 118
Atom CA of residue 48
Atom O of residue 30
Atom CG of residue 132
Atom CA of residue 10
PRO
GLY
THR
ARG
Atom CA of residue 576
ILE
Atom CA of residue 89
Atom CB of residue 66
ASP
Atom OD2 of residue 33
Atom CA of residue 62
Atom CA of residue 488
Atom CA of residue 74
Atom O of residue 56
THR
Atom CA of residue 565
Atom CA of residue 100
Atom CG of residue 125
Atom NE of residue 13
TYR
Atom CB of residue 534
Atom CA of residue 154
Atom CG1 of residue 55
CYS
Atom CA of residue 25
GLU
VAL
Atom CD of residue 154
ASP
LEU
Atom CA of residue 280
Atom CA of residue 151
PRO
ASP
LEU
Atom N of residue 557
Atom O of residue 552
PRO
Atom CA of residue 199
Atom N of residue 466
Atom CA of residue 432
Atom CG2 of residue 511
Atom CA of residue 145
Atom CA of residue 17
Atom CA of residue 489
Atom CB of residue 518
Atom CB of residue 89
ILE
Atom O of residue 107
GLU
TYR
ILE
Atom CA of residue 315
Atom CA of residue 55
ARG
Atom CA of residue 54
Atom CD of residue 121
Atom CA of residue 2655
Atom CG1 of residue 54
Atom C of residue 443
Atom CA of residue 43
Atom CA of residue 225
ASN
Atom CA of residue 92
Atom CA of residue 457
SER
Atom N of residue 22
GLU
Atom CB of residue 30
Atom CA of residue 511
MET
Atom CA of residue 95
Atom CD1 of residue 136
PRO
Atom CA of residue 25
Atom CA of residue 566
HIS
Atom CD2 of residue 128
Atom CA of residue 246
LYS
Atom CZ of residue 8
Atom CG1 of residue 123
AccumulateRigidBodyDerivatives15
PRO
PRO
Atom CA of residue 62
THR
ALA
Atom CG of residue 534
Atom CA of residue 67
Atom CB of residue 576
ASN
Atom O of residue 103
Atom C of residue 488
GLU
Atom O of residue 142
Atom O of residue 484
Atom CA of residue 111
Atom C of residue 38
Atom CA of residue 69
Atom CA of residue 65
Atom CG of residue 17
Atom CD of residue 125
Atom CA of residue 52
MET
Atom CG1 of residue 90
LYS
Atom CG of residue 66
VAL
Atom CA of residue 143
Atom O of residue 40
Atom CA of residue 25
Atom N of residue 58
Atom CA of residue 20
Atom CA of residue 117
LeavesRefiner2
ASN
GLU
MET
Atom CA of residue 99
Atom CA of residue 227
Atom OH of residue 134
Atom CA of residue 98
Atom CG of residue 111
Atom CZ of residue 137
Atom CA of residue 2660
Atom CA of residue 146
Chain C
LEU
Atom N of residue 512
Atom CA of residue 321
LYS
Atom CA of residue 454
Atom CA of residue 342
LYS
ASP
GLU
Atom CA of residue 47
MET
GLY
Atom CA of residue 74
Atom C of residue 535
Atom N of residue 34
LYS
Atom CA of residue 82
Atom CA of residue 200
PRO
SER
Atom CA of residue 22
Atom CB of residue 56
ALA
Atom CA of residue 112
ALA
mol_2
Atom O of residue 579
GLY
Atom CA of residue 92
Atom CZ of residue 13
PRO
Atom CA of residue 515
Atom CA of residue 286
Atom CE of residue 121
ARG
Atom CG of residue 106
Atom CG2 of residue 54
Atom CA of residue 248
PHE
Atom CA of residue 455
ASP
PHE
Atom CB of residue 552
Atom O of residue 43
VAL
Atom CD1 of residue 16
VAL
PHE
LEU
TYR
VAL
Atom CG2 of residue 90
Atom N of residue 38
Atom NE of residue 17
LEU
PRO
Atom CA of residue 8
GLU
PHE
GLN
Atom CA of residue 50
Atom CA of residue 16
GLN
Atom CE2 of residue 128
Atom CA of residue 376
Atom C of residue 457
Atom C of residue 60
Atom C of residue 511
GLY
Atom CA of residue 577
TYR
Atom CA of residue 2646
Atom CA of residue 579
Atom CA of residue 108
Atom CA of residue 132
VAL
ALA
VAL
Atom CA of residue 482
SampledDensityMap0
Atom O of residue 38
Atom CA of residue 2
Atom C of residue 17
em module unit tests succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/saxs/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/saxs/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/saxs/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/saxs/examples/profile.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/saxs/examples/profile_fit.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/saxs/examples/fast-test.results.out) > /dev/null
Run example profile.py ... in 1.302s ... ok
Run example profile_fit.py ... in 1.421s ... ok

----------------------------------------------------------------------
Ran 2 tests in 2.724s

OK
saxs examples succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/saxs/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/saxs/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.saxs --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/saxs/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/saxs/test/test_saxs.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/saxs/test/test_surface.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_saxs_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/saxs/test/fast-test.results.out) > /dev/null
Check protein profile computation ... ok
Check residue level saxs restraint ... ok
Check saxs restraint ... ok
Check the surface area handle points on boundary ... in 1.450s ... ok
Check protein surface computation ... in 1.281s ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 9 tests in 4.742s

OK
saxs module unit tests succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/gsl/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/gsl/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/gsl/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/gsl/examples/simplex.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/gsl/examples/fast-test.results.out) > /dev/null
Run example simplex.py ... ok

----------------------------------------------------------------------
Ran 1 test in 0.178s

OK
gsl examples succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/gsl/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/gsl/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.gsl --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/gsl/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/gsl/test/test_cg_optimizer.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/gsl/test/test_qn_minimizer.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/gsl/test/test_simplex_minimizer.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_gsl_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/gsl/test/fast-test.results.out) > /dev/null
Check that we can optimize the Woods function with CG ... ok
Check that we can optimize the Woods function with QN ... ok
Test the simplex optimizer with given starting conditions ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 7 tests in 1.052s

OK
gsl module unit tests succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/modeller/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/modeller/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/modeller/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/modeller/examples/imp_restraints_in_modeller.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/modeller/examples/load_modeller_model.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/modeller/examples/modeller_restraints_in_imp.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/modeller/examples/fast-test.results.out) > /dev/null
Run example imp_restraints_in_modeller.py ... in 2.041s ... ok
Run example load_modeller_model.py ... in 1.054s ... ok
Run example modeller_restraints_in_imp.py ... ok

----------------------------------------------------------------------
Ran 3 tests in 4.026s

OK
Exception AttributeError: "'NoneType' object has no attribute 'mod_model_free'" in  ignored
Exception AttributeError: "'NoneType' object has no attribute 'mod_io_data_free'" in > ignored
Exception AttributeError: "'NoneType' object has no attribute 'mod_libraries_free'" in > ignored
modeller examples succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/modeller/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/modeller/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.modeller --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/modeller/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/modeller/test/test_dynamic_restraints.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/modeller/test/test_imp_restraints.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/modeller/test/test_load_model_atoms.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/modeller/test/test_modeller_restraints.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/modeller/test/test_rsr_file_read.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_modeller_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/modeller/test/fast-test.results.out) > /dev/null
Check loading of Modeller electrostatic restraints ... in 1.061s ... ok
Check loading of Modeller Lennard-Jones restraints ... in 1.057s ... ok
Check loading of Modeller soft sphere restraints ... ok
Check using IMP restraints in Modeller ... ok
Check that Modeller bonds and angles are loaded ... in 2.947s ... ok
Check reading a dna with one chain ... in 1.471s ... ok
Check reading a Modeller model with one protein ... in 2.000s ... ok
Check using Modeller restraints in IMP ... ok
Check angle restraints against Modeller ... in 1.058s ... ok
Check bond restraints against Modeller ... in 1.053s ... ok
Check dihedral restraints against Modeller ... in 1.060s ... ok
Check improper restraints against Modeller ... in 1.054s ... ok
Check loading of Modeller static restraints ... in 1.158s ... ok
Check reading of arbitrary Modeller restraint files ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 18 tests in 18.561s

OK
modeller module unit tests succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/restrainer/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/examples/nup84_complex_in_bead_representation.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/examples/basic_setup.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/examples/rigid_body_and_excluded_volume_restraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/examples/em_restraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/examples/saxs_restraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/examples/basic_display.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/examples/fast-test.results.out) > /dev/null
Run example nup84_complex_in_bead_representation.py ... ok
Run example basic_setup.py ... ok
Run example rigid_body_and_excluded_volume_restraint.py ... ok
Run example em_restraint.py ... ok
Run example saxs_restraint.py ... ok
Run example basic_display.py ... ok

----------------------------------------------------------------------
Ran 6 tests in 1.788s

OK
restrainer examples succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/restrainer/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.restrainer --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/test_connectivity_for_pdb.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/test_connectivity_for_sphere.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/test_diameter_for_pdb.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/test_diameter_for_sphere.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/test_display.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/test_distance_for_pdb.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/test_distance_for_sphere.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/test_em.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/test_get_rigid_body.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/test_methods_for_pdb.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/test_methods_for_sphere.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/test_representation_mix.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/test_representation_pdb.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/test_representation_sphere.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/test_saxs.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/test_simple_connectivity_on_molecules.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/test_simple_connectivity_on_rigid_bodies.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/test_simple_diameter.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/test_simple_distance.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/test_simple_em_fit.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/test_simple_excluded_volume.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_restrainer_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/fast-test.results.out) > /dev/null
Check get_restraint_by_name, get_weight, and set_weight for connectivity restraint for pdb ... in 2.460s ... ok
Check connectivity restraint for sphere ... ok
Check diameter restraint for pdb ... in 1.116s ... ok
Check diameter restraint for sphere ... ok
Check display ... ok
Check distance restraint for pdb ... ok
Check distance restraint for sphere ... ok
Check EM restraint ... ok
Check get_rigid_body_by_id and get_all_rigid_bodies methods ... in 1.748s ... ok
Check multiple input restraints for pdb ... in 2.692s ... ok
Check multiple input restraints for sphere ... ok
Check pdb and sphere representations ... ok
Check pdb representation ... ok
Check sphere representation ... ok
Check saxs restraint ... ok
Test simple connectivity restraint on molecules. ... ok
Check SimpleConnectivity's methods for molecules ... ok
Check SimpleConnectivity's methods for rigid bodies ... ok
Check SimpleDiameter's methods ... ok
Test that simple diameter restraints are reasonable ... ok
Check SimpleDistance's methods ... ok
Test simple distance restraint ... ok
Make sure that we can cast Restraint* to FitRestraint* ... ok
Check that correlation of particles with their own density is 1 ... ok
Check SimpleEMFit's methods ... ok
Test excluded volume restraint on molecules ... ok
Test excluded volume restraint on rigid bodies ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 31 tests in 11.667s

OK
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
normalize rigid bodies
Atom SD of residue 105
Atom N of residue 66
GLN
Atom CD of residue 1
SER
GLY
Atom C of residue 20
P253
UpdateRigidBodyMembers9
P1 RigidBodyHierarchy 1
Atom CG of residue 1
Atom C of residue 3
P17
Atom CB of residue 53
Atom N of residue 5
Atom CB of residue 43
Atom C of residue 120
Atom NH2 of residue 5
Atom SG of residue 115
LYS
Atom N of residue 93
Atom CD of residue 1
Atom C of residue 4
Atom CD1 of residue 3
SAXS restraint
Atom CD2 of residue 3
GLY
Atom C of residue 81
Atom CE of residue 96
Atom N of residue 3
Atom O of residue 1
ARG
Atom OD1 of residue 74
Atom O of residue 28
GLY
GLY
Atom CD of residue 112
Atom CG of residue 5
Atom CZ of residue 3
Atom O of residue 82
Atom N of residue 90
Atom CZ of residue 53
Atom CE1 of residue 34
Atom CB of residue 1
Atom CG of residue 35
P1
Atom N of residue 3
Atom NE2 of residue 41
Atom N of residue 41
Atom N of residue 46
Atom CB of residue 127
Atom CE2 of residue 63
Atom CB of residue 105
Atom N of residue 60
P43
Atom CE1 of residue 3
Atom N of residue 66
Atom OG of residue 86
TRP
Atom CD1 of residue 3
Atom CA of residue 61
Atom NZ of residue 1
Atom O of residue 5
AccumulateRigidBodyDerivatives20
UnaryFunction11
P175
VAL
Atom CG1 of residue 29
Atom N of residue 38
Atom CD2 of residue 3
Atom CG of residue 113
P8 RigidBodyHierarchy 0
Atom C of residue 123
Atom N of residue 23
Atom CB of residue 2
AccumulateRigidBodyDerivatives14
Atom O of residue 129
simple_input.pdb
Atom N of residue 4
Atom CA of residue 2
VAL
Atom C of residue 45
Atom CZ of residue 3
Atom CA of residue 21
RestraintSet 2
Atom N of residue 51
CYS
Fit restraint scratch map
Atom CD of residue 5
Atom N of residue 62
P177
Atom CD of residue 1
GLY
Atom O of residue 12
Atom CB of residue 79
ARG
Atom CE1 of residue 53
Atom N of residue 3
Atom NH2 of residue 5
ARG
PHE
Atom CE1 of residue 3
Atom CB of residue 115
PHE
PairScore 3
Atom N of residue 2
Atom CE of residue 1
Atom O of residue 4
Atom N of residue 110
Atom O of residue 81
Atom C of residue 1
Atom CE2 of residue 63
Atom O of residue 4
FixedRefiner5
P1 RigidBodyHierarchy 5
Atom C of residue 32
Atom CG of residue 14
Atom C of residue 26
Atom ND1 of residue 15
Chain A RigidBodyHierarchy 12
SER
Atom CG of residue 35
Atom CB of residue 1
Atom N of residue 105
TRP
ModelScoringFunction3
Atom CB of residue 3
DiameterRestraint0
P74
Atom CA of residue 84
Atom NH2 of residue 5
Atom O of residue 5
Atom N of residue 1
ARG
Atom CD of residue 35
P1136
Atom N of residue 3
ListSingletonContainer4
Atom CA of residue 100
Atom N of residue 37
P5
Atom NH2 of residue 5
Atom O of residue 103
AccumulateRigidBodyDerivatives24
Atom CA of residue 95
Atom ND2 of residue 59
SER
Atom NH1 of residue 5
Atom CB of residue 90
Atom CG1 of residue 78
Atom CB of residue 93
Atom O of residue 124
Atom O of residue 3
ARG
PHE
CYS
Atom N of residue 112
Atom CE2 of residue 108
Atom CG of residue 5
VAL
Atom CA of residue 5
Atom C of residue 1
Atom CA of residue 57
Atom CA of residue 108
P34
Atom OD1 of residue 39
Atom CD2 of residue 38
Atom CE of residue 1
Atom CA of residue 19
P51
VAL
Atom OD1 of residue 48
Atom CD of residue 5
Atom O of residue 120
Atom CB of residue 1
ConnectivityRestraint 3
Chain A
Atom CB of residue 113
VAL
Atom CD2 of residue 129
Atom O of residue 123
Atom CD1 of residue 23
LEU
PHE
Atom CD of residue 7
Atom N of residue 5
Atom CE3 of residue 63
Chain A
Atom O of residue 3
Atom CD1 of residue 98
Atom N of residue 123
Atom C of residue 1
Atom CE of residue 97
P2
P25
P177 RigidBodyHierarchy 1
VAL
Atom CA of residue 104
P177
Atom N of residue 48
Atom CG2 of residue 29
P0
Atom NE of residue 112
Atom NZ of residue 96
Atom CG of residue 33
Atom CE1 of residue 3
Atom OD1 of residue 113
ALA
Atom N of residue 103
Atom CE1 of residue 3
Atom CA of residue 111
P9
Atom CA of residue 58
Atom CB of residue 8
Atom CA of residue 85
P51 rigid body positions
Chain A
Model 5
Atom C of residue 1
Atom CG1 of residue 2
P0
Atom C of residue 5
Atom CA of residue 5
Atom O of residue 1
Atom CE of residue 105
Chain A rigid body positions
Atom CA of residue 76
UpdateRigidBodyMembers15
Atom CE of residue 1
P74 RigidBodyHierarchy 3
connectivity list
NormalizeRotation4
UpdateRigidBodyMembers26
Atom CA of residue 3
DiameterRestraint center
Atom O of residue 45
Atom CD of residue 7
Atom OD1 of residue 66
Atom N of residue 4
ASP
Atom CA of residue 73
Atom NZ of residue 1
SingletonModifier 4
Atom NH2 of residue 5
PHE
Atom CA of residue 62
Atom CA of residue 26
ListSingletonContainer6
Atom CB of residue 12
Atom CE2 of residue 53
Chain A
Atom CG2 of residue 120
Atom O of residue 3
PHE
Atom N of residue 3
Atom CD1 of residue 3
Atom CB of residue 82
Atom ND2 of residue 74
Atom OH of residue 53
Atom CA of residue 5
Atom CA of residue 35
Chain A
Atom CG of residue 1
rigid bodies list
Atom CD2 of residue 3
Atom CG of residue 13
GLY
Atom CB of residue 103
Atom SG of residue 127
Atom C of residue 21
PHE
Atom O of residue 32
Atom O of residue 26
Atom CA of residue 2
Atom CE2 of residue 3
Atom CG of residue 1
Atom CA of residue 36
Atom CB of residue 62
Atom CA of residue 28
ARG
Atom CB of residue 3
Atom CG of residue 3
LeavesRefiner0
UnaryFunction1
Atom CG of residue 3
Atom CE3 of residue 108
ConnectivityRestraint 6
Atom NE of residue 5
P253 RigidBodyHierarchy 1
Atom CG of residue 62
Atom OG1 of residue 43
LYS
Atom C of residue 127
Atom CD of residue 14
P16
Atom N of residue 1
LYS
Atom CA of residue 17
Atom N of residue 91
Atom CG of residue 1
Atom C of residue 104
Atom CA of residue 2
Atom CA of residue 11
Atom N of residue 3
Atom CA of residue 4
CYS
Atom CA of residue 2
Atom O of residue 1
ARG
Atom CB of residue 5
Atom C of residue 76
LYS
Atom N of residue 4
Atom SG of residue 115
Atom CA of residue 3
P0
Atom C of residue 100
Atom CB of residue 2
GLN
Atom O of residue 26
ARG
Atom CA of residue 88
Atom C of residue 95
TRP
P3
P41
GLY
Atom CE1 of residue 38
ALA
Atom O of residue 1
Atom O of residue 5
Atom CD2 of residue 20
Atom CG of residue 105
THR
Atom CE2 of residue 3
Atom CG of residue 59
Atom CG of residue 113
Atom CD2 of residue 23
Atom CD1 of residue 78
Atom C of residue 61
Atom CE2 of residue 3
Atom CB of residue 5
normalize rigid bodies
Atom C of residue 2
ARG
Atom CA of residue 3
Atom CB of residue 32
Atom N of residue 2
TYR
Atom C of residue 108
Atom N of residue 116
Atom C of residue 36
P177
Atom CD2 of residue 3
Atom N of residue 5
Atom N of residue 1
ASN
Atom C of residue 2
Chain A
Atom C of residue 5
Atom CA of residue 3
Atom N of residue 60
P27
Chain A
Atom CG1 of residue 124
P23
Atom CG1 of residue 2
Atom CD of residue 1
Atom OE1 of residue 7
ARG
Atom CG of residue 79
Atom CA of residue 30
Atom CD of residue 5
Atom NE of residue 5
Atom O of residue 127
Chain A
simple_input.pdb
Atom CA of residue 1
Atom CG of residue 8
Atom O of residue 1
Atom ND2 of residue 39
Atom OE1 of residue 35
Atom CZ of residue 3
ASN
Atom O of residue 68
Atom CA of residue 1
Atom N of residue 121
Atom N of residue 106
Atom CB of residue 5
Atom CB of residue 76
Atom CB of residue 123
Atom CA of residue 25
Atom O of residue 77
UnaryFunction12
Atom CA of residue 3
Atom N of residue 42
simple_input.pdb
Atom NE of residue 5
Atom OD2 of residue 66
Atom CZ2 of residue 63
Atom CE of residue 33
Atom C of residue 58
Atom CA of residue 14
P42
Atom CD of residue 5
Atom CG of residue 3
Atom OD2 of residue 48
Atom N of residue 30
Atom CG2 of residue 124
PHE
Atom ND2 of residue 113
Atom N of residue 94
connectivity list
P2
Atom CB of residue 28
Atom NH1 of residue 5
PairScore 4
Atom CA of residue 125
Atom CD1 of residue 62
Atom N of residue 4
Atom OE1 of residue 7
Atom N of residue 27
Atom O of residue 21
Atom C of residue 3
Atom CG2 of residue 43
P1
Atom N of residue 99
Atom CA of residue 87
Atom CE2 of residue 3
P1
Atom C of residue 26
PHE
Atom O of residue 5
Atom CB of residue 1
Atom CD of residue 13
P8
UnaryFunction16
Atom CG of residue 3
LYS
P24
P0
P3
Atom N of residue 4
Atom CB of residue 81
Atom CE of residue 1
Atom OE2 of residue 7
Atom CA of residue 5
Atom CZ of residue 5
Atom CB of residue 120
Atom CG1 of residue 2
Atom C of residue 1
Atom OXT of residue 129
simple_input.pdb
P0
Atom CE3 of residue 62
Atom C of residue 28
Atom CG of residue 70
Atom CA of residue 2
Atom CG of residue 12
Atom CB of residue 45
Atom C of residue 2
Atom CD1 of residue 3
Atom CE1 of residue 20
Atom SD of residue 105
Atom NH2 of residue 5
Atom CE2 of residue 34
Atom NZ of residue 97
Atom C of residue 85
Atom CE1 of residue 3
Atom CB of residue 20
Atom CE2 of residue 3
Atom CG of residue 93
Atom C of residue 25
Atom CB of residue 2
Atom CA of residue 41
ASP
P74 RigidBodyHierarchy 1
GLY
Atom N of residue 2
Atom O of residue 95
Atom N of residue 27
Atom C of residue 17
Atom CG of residue 1
Atom N of residue 75
Atom CB of residue 1
Atom CB of residue 129
DiameterRestraint center
Atom CE of residue 1
Atom O of residue 2
Atom CA of residue 2
Atom C of residue 111
ARG
Atom CA of residue 110
P3
GLY
Atom CA of residue 72
Atom CE1 of residue 3
Atom NZ of residue 1
Atom CZ2 of residue 108
GLY
Atom O of residue 61
GLY
Atom CG of residue 5
Atom CG2 of residue 2
Atom CD of residue 79
Atom O of residue 2
Atom NE of residue 5
Atom C of residue 88
Chain A RigidBodyHierarchy 10
LYS
Atom C of residue 5
Atom N of residue 79
Atom CA of residue 93
Atom CA of residue 37
PHE
P20
Atom O of residue 2
Atom N of residue 97
Atom N of residue 128
Atom C of residue 73
Atom OD1 of residue 59
TupleRestraint 3
Atom OD1 of residue 113
Atom O of residue 76
Atom CG of residue 1
Atom C of residue 57
Atom O of residue 1
UnaryFunction14
Atom CB of residue 5
Atom CZ of residue 5
SingletonModifier 5
Atom CA of residue 5
Atom CB of residue 1
Atom NH1 of residue 5
Atom N of residue 33
Atom N of residue 83
Atom CG of residue 3
Atom CA of residue 4
Atom CA of residue 1
P2
Atom CA of residue 123
Atom N of residue 54
Atom C of residue 2
TupleRestraint 7
Atom CZ of residue 3
P303
Atom CE2 of residue 38
Chain A
Atom CG of residue 101
P3
Atom CB of residue 68
ASP
Atom CD1 of residue 3
Atom CB of residue 5
UpdateRigidBodyMembers1
ListSingletonContainer2
Atom C of residue 3
TupleRestraint 2
Atom CZ of residue 3
Atom CE1 of residue 23
Atom CA of residue 5
Atom O of residue 25
P124
Atom N of residue 4
Atom NH2 of residue 5
Atom CG1 of residue 2
P16
GLY
Atom C of residue 4
Atom NZ of residue 1
Atom CE3 of residue 63
Atom CZ of residue 5
Atom C of residue 30
Atom CD1 of residue 53
GLY
Atom O of residue 3
/scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/input/data/in.mrc
P10
Atom CZ of residue 3
Atom O of residue 58
Atom O of residue 17
Atom CD1 of residue 8
VAL
Atom CA of residue 23
Atom CA of residue 90
Atom N of residue 87
Atom O of residue 108
Atom N of residue 116
Atom O of residue 35
Atom CG of residue 62
Atom C of residue 1
Atom CE1 of residue 3
Atom CA of residue 3
Atom CG2 of residue 118
simple_input.pdb
Atom CB of residue 46
Atom NZ of residue 33
Atom CA of residue 5
SER
P303
Atom CG2 of residue 124
Atom N of residue 4
Atom CG of residue 28
GLY
Atom O of residue 112
Atom O of residue 5
Chain A RigidBodyHierarchy 11
simple_input.pdb
Atom CZ of residue 5
Atom N of residue 40
PRO
Atom CB of residue 2
Atom CB of residue 3
pdb_log_000.py
Atom O of residue 100
Atom CA of residue 42
Atom CG of residue 3
GLN
Atom CA of residue 51
Atom CZ of residue 61
Atom CA of residue 3
Atom CZ of residue 53
Atom CG of residue 5
Atom OD2 of residue 18
PHE
Atom C of residue 125
P0
Atom CE of residue 13
Atom CG of residue 103
Atom N of residue 67
Atom CG1 of residue 120
Atom NE of residue 5
P33
Atom O of residue 2
Atom CG of residue 1
Atom CB of residue 2
P1 RigidBodyHierarchy 9
Atom NE of residue 5
Chain A
Atom CG of residue 45
Atom CZ3 of residue 63
Atom CD2 of residue 3
Atom CB of residue 1
Atom O of residue 57
Atom N of residue 98
Atom N of residue 5
LYS
Atom O of residue 85
P125
Atom N of residue 3
Atom CD2 of residue 62
Atom NZ of residue 1
Atom CG1 of residue 2
simple_input.pdb
Atom CA of residue 48
CYS
ASN
Atom CB of residue 1
Atom CB of residue 21
ListSingletonContainer14
Atom NH2 of residue 14
Atom N of residue 4
Atom N of residue 114
Atom CG of residue 5
AccumulateRigidBodyDerivatives26
Atom C of residue 23
Atom CD1 of residue 129
Model 6
Atom O of residue 1
ModelScoringFunction4
Atom O of residue 111
Atom CA of residue 3
Atom C of residue 3
Atom O of residue 4
Atom CD of residue 70
Chain A
Atom C of residue 2
P74 rigid body positions
Atom CB of residue 2
Atom C of residue 84
Atom CB of residue 35
ARG
Atom CD of residue 1
SER
Atom CG of residue 20
Atom CA of residue 4
P304
Atom OD1 of residue 93
Atom C of residue 5
Atom C of residue 41
Fit restraint scratch map
Atom CA of residue 112
Atom NH2 of residue 5
Atom O of residue 88
GLY
Atom N of residue 1
LEU
GridCPF
RestraintSet 11
Atom CG of residue 123
ASP
Atom CG of residue 1
NullModifier0
Chain A
AccumulateRigidBodyDerivatives21
ARG
Atom CE2 of residue 20
Atom N of residue 44
SoftSpherePairScore 1
Atom O of residue 73
Atom C of residue 72
VAL
Atom N of residue 1
RestraintSet 9
Atom CD of residue 5
Atom NE of residue 5
P51
SoftSpherePairScore 0
Atom CB of residue 25
Atom O of residue 28
Atom CG2 of residue 2
Atom CA of residue 4
UpdateRigidBodyMembers2
Atom OD1 of residue 103
Atom CB of residue 95
Atom CD of residue 1
Atom CG of residue 5
GLY
Atom O of residue 4
Atom NZ of residue 1
Atom C of residue 93
Atom CG of residue 68
Atom CA of residue 52
Atom C of residue 1
Atom CE1 of residue 3
Atom O of residue 1
Atom N of residue 4
ARG
Atom CA of residue 1
GLY
Atom SD of residue 12
Atom N of residue 2
Chain A
Atom CZ2 of residue 63
Atom O of residue 6
Atom CD2 of residue 3
Atom CZ of residue 5
Atom CA of residue 4
Atom CD of residue 1
Atom CB of residue 127
Atom NE of residue 5
Atom O of residue 23
Atom CZ3 of residue 108
LYS
Atom CG of residue 3
Atom CA of residue 4
Atom CB of residue 1
Chain A
Atom N of residue 119
AccumulateRigidBodyDerivatives13
Atom CD1 of residue 3
Atom CE2 of residue 3
Atom CZ of residue 34
Atom C of residue 3
Atom O of residue 2
P1
P354
Atom CD1 of residue 62
VAL
Atom CG2 of residue 2
Atom O of residue 4
NullModifier2
Atom CD2 of residue 53
ASN
UnaryFunction3
Atom ND2 of residue 113
Atom C of residue 90
Atom CB of residue 108
Atom N of residue 4
Atom CB of residue 100
P2
Atom CE2 of residue 3
Atom C of residue 1
Atom N of residue 80
TupleRestraint 4
CYS
Atom NE of residue 5
Atom NE of residue 5
Atom C of residue 35
Atom CD1 of residue 28
Atom O of residue 125
Atom CA of residue 4
Atom N of residue 74
Atom CB of residue 5
GLY
Atom CD2 of residue 17
Atom CD of residue 5
Atom NH1 of residue 5
ListSingletonContainer19
Atom CB of residue 61
Atom CH2 of residue 63
connectivity list
ListSingletonContainer9
Atom CA of residue 66
Atom C of residue 51
Atom CB of residue 58
Atom CA of residue 91
Atom N of residue 4
Atom CD2 of residue 25
Atom CB of residue 5
Atom O of residue 5
Atom CD2 of residue 3
Atom CD1 of residue 3
Atom N of residue 9
Atom N of residue 1
Atom CA of residue 30
P51 RigidBodyHierarchy 3
Atom CB of residue 112
UpdateRigidBodyMembers27
Atom NH1 of residue 5
ARG
Atom CE2 of residue 3
Chain A RigidBodyHierarchy 0
VAL
Atom CD1 of residue 123
Atom C of residue 2
Atom OH of residue 53
Atom CZ of residue 5
THR
PHE
KClosePairsPairScore 2
Atom CA of residue 1
Atom O of residue 3
Atom CG of residue 46
Atom N of residue 2
LYS
Atom O of residue 84
P304
Model 23
simple_input.pdb
Atom C of residue 123
Chain A RigidBodyHierarchy 4
RigidCPF
PHE
ListSingletonContainer16
Atom N of residue 19
Atom CZ of residue 38
Atom NZ of residue 1
P51
UnaryFunction17
Atom N of residue 3
Atom C of residue 67
Atom CG of residue 5
Atom C of residue 48
Atom ND2 of residue 103
Atom CA of residue 121
Atom CD of residue 5
Atom O of residue 3
Atom CE of residue 105
P8
Atom CA of residue 99
Atom CE2 of residue 23
P251 RigidBodyHierarchy 0
Atom CA of residue 79
Atom CG of residue 1
Atom CD of residue 68
Atom CD of residue 5
Atom O of residue 1
P1 RigidBodyHierarchy 4
Atom C of residue 27
Atom CB of residue 3
Atom CE2 of residue 3
Atom N of residue 15
Atom O of residue 72
LYS
Atom CB of residue 17
Atom CD2 of residue 8
Atom CB of residue 57
Atom CA of residue 2
ILE
Atom CA of residue 5
Atom CB of residue 85
P125 RigidBodyHierarchy 0
Atom O of residue 44
Atom C of residue 19
Atom O of residue 4
Atom OD1 of residue 101
Atom CA of residue 5
Atom C of residue 110
Atom OG of residue 81
normalize rigid bodies
Atom CA of residue 74
Atom C of residue 112
simple_input.pdb
Atom N of residue 5
connectivity list
P51 rigid body positions
Atom CB of residue 23
Atom CE2 of residue 3
Atom CB of residue 118
Atom NE1 of residue 62
P4 rigid body positions
Atom CB of residue 2
P16
Atom CG of residue 129
Atom CA of residue 116
Atom CB of residue 5
Atom CB of residue 77
Atom CB of residue 28
ListSingletonContainer5
Atom C of residue 42
Atom C of residue 37
Atom CA of residue 1
Atom CB of residue 5
Atom CE of residue 12
Atom CE1 of residue 3
Atom CE1 of residue 3
VAL
Atom CA of residue 106
P6
Atom C of residue 3
Atom CA of residue 5
Atom CH2 of residue 108
RigidCPF
Atom CD of residue 1
Atom N of residue 8
Chain A RigidBodyHierarchy 3
Atom N of residue 31
Atom O of residue 2
GLY
Atom CA of residue 128
Atom CG1 of residue 2
Atom CB of residue 88
Atom CB of residue 84
Atom N of residue 34
P354
Atom N of residue 77
Atom C of residue 87
Atom N of residue 35
Atom CZ of residue 5
Atom CZ of residue 5
VAL
Atom CG of residue 25
GridCPF
LYS
Atom O of residue 67
P6
Atom O of residue 4
PHE
Atom CA of residue 4
Atom CA of residue 60
Atom N of residue 114
Atom C of residue 99
Atom O of residue 90
Atom CD1 of residue 20
Atom CB of residue 5
Atom NH1 of residue 5
Atom CG of residue 21
Atom CG of residue 3
Atom CA of residue 83
P8 rigid body positions
Model 17
Atom O of residue 3
SingletonModifier 1
Atom CB of residue 1
P15
Atom NH2 of residue 5
Atom CB of residue 3
Atom C of residue 5
Atom NH2 of residue 5
Atom CB of residue 111
Atom CA of residue 5
Atom CZ3 of residue 63
ALA
KClosePairsPairScore 5
LEU
Atom CZ of residue 5
Atom CZ of residue 3
Atom CA of residue 75
Model 2
Atom CG of residue 61
UpdateRigidBodyMembers7
Atom CD2 of residue 62
Atom CB of residue 124
Atom CB of residue 5
Model 4
Atom O of residue 41
ConjugateGradients
Atom CG1 of residue 2
Atom NH1 of residue 5
ASN
Atom CG2 of residue 120
Atom C of residue 66
Atom O of residue 51
Atom N of residue 18
Atom CZ of residue 3
RestraintSet 0
Atom C of residue 5
Atom N of residue 14
Atom O of residue 110
Atom CG of residue 5
Atom NZ of residue 13
Atom CD of residue 1
Atom N of residue 3
Atom CD of residue 5
UpdateRigidBodyMembers11
ASN
Atom CZ of residue 20
Atom N of residue 2
Atom N of residue 106
Atom NH2 of residue 5
Atom CB of residue 73
PHE
ARG
Atom O of residue 3
GLU
Atom OG of residue 100
Atom CZ of residue 5
RestraintSet 8
Atom N of residue 2
LYS
Atom N of residue 96
Atom CZ of residue 3
Atom CZ of residue 3
Atom NE of residue 5
Atom C of residue 91
Atom O of residue 123
Atom N of residue 39
Atom N of residue 2
Atom CB of residue 5
Atom O of residue 93
Atom C of residue 5
Atom CB of residue 125
Atom O of residue 37
Atom N of residue 68
Atom CD of residue 45
Atom CD2 of residue 3
UpdateRigidBodyMembers24
P6
Atom O of residue 1
Atom CA of residue 1
Atom CB of residue 99
Atom CZ of residue 23
Atom C of residue 4
Atom CD2 of residue 28
simple_input.pdb
Atom NE of residue 5
PHE
Chain A rigid body positions
Atom O of residue 56
Atom O of residue 27
Atom CG of residue 17
P14 rigid body positions
Atom N of residue 9
AccumulateRigidBodyDerivatives11
Atom CA of residue 5
Atom CB of residue 44
simple_input.pdb
simple_input.pdb
Atom CE2 of residue 3
P1
Atom O of residue 112
Atom C of residue 121
Atom CB of residue 3
Chain A RigidBodyHierarchy 6
UpdateRigidBodyMembers35
Atom NH1 of residue 5
Atom CA of residue 40
Atom O of residue 4
simple_input.pdb
LEU
Atom OG1 of residue 118
Atom CE2 of residue 62
Atom N of residue 5
VAL
CYS
Atom C of residue 74
Atom CG2 of residue 2
Atom CD of residue 5
Atom CG1 of residue 2
Atom C of residue 2
Atom CA of residue 54
Atom NH1 of residue 5
Atom CG of residue 108
Atom CD2 of residue 3
Atom CA of residue 5
Atom CG of residue 77
Atom CA of residue 38
Atom CA of residue 9
Model 15
ConnectivityRestraint 5
GLY
ARG
Atom CD of residue 73
Chain A
P253
Atom CD2 of residue 129
/scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/input/in.mrc
Atom CA of residue 7
Atom CA of residue 95
Model 21
Atom N of residue 4
Atom CA of residue 49
Atom N of residue 3
Atom NH2 of residue 5
Atom CA of residue 31
connectivity list
Atom CG1 of residue 88
Atom CD of residue 21
Atom CD1 of residue 3
Atom CB of residue 27
Atom C of residue 116
P251
Atom CB of residue 2
Atom O of residue 5
SoftSpherePairScore 4
Atom O of residue 36
Atom C of residue 5
Atom C of residue 106
Atom CB of residue 1
Atom CD2 of residue 3
Atom CB of residue 72
Atom CG of residue 23
Atom N of residue 5
Atom CG of residue 5
VAL
Atom CG of residue 5
Atom CB of residue 1
Atom CG of residue 84
P7
Atom C of residue 5
Atom CA of residue 116
Chain A
Atom OD1 of residue 46
Atom CE of residue 1
Atom CG of residue 111
Atom CB of residue 3
Atom C of residue 1
Atom N of residue 13
Atom C of residue 60
P14 rigid body positions
Atom N of residue 5
Atom C of residue 75
ASN
Atom O of residue 19
Atom OD2 of residue 101
Atom N of residue 3
Atom O of residue 42
Atom CB of residue 41
Atom CH2 of residue 63
Atom O of residue 48
Atom NH2 of residue 5
Atom CG of residue 5
Atom CA of residue 44
Atom N of residue 121
P14
LYS
Model 1
GLU
Atom CG of residue 3
Atom CA of residue 2
LeavesRefiner8
Atom NE of residue 45
Atom CA of residue 27
Atom OH of residue 20
VAL
Atom CA of residue 33
Atom SG of residue 127
Atom CG of residue 57
Atom O of residue 99
Atom N of residue 54
Atom N of residue 2
Atom OXT of residue 129
Atom CA of residue 98
Atom OG of residue 85
Atom CD2 of residue 20
Atom O of residue 4
Atom CE of residue 1
PairScore 7
Atom N of residue 82
Atom CG2 of residue 51
Atom C of residue 49
PHE
Atom CG2 of residue 2
Atom CA of residue 2
Atom NE of residue 5
Atom C of residue 4
Atom CB of residue 90
Atom N of residue 3
ConjugateGradients
VAL
Atom CB of residue 93
Atom NE of residue 68
Atom CD of residue 5
Frag3
ASN
Atom CZ of residue 3
Atom C of residue 128
Atom N of residue 64
Atom CA of residue 1
Atom N of residue 2
Atom O of residue 79
Atom CA of residue 6
P74
Atom CG of residue 5
Atom NE1 of residue 28
Atom O of residue 94
UpdateRigidBodyMembers34
simple_input.pdb
Chain A RigidBodyHierarchy 5
Atom C of residue 30
Atom O of residue 74
Atom CB of residue 56
ModelScoringFunction5
Atom C of residue 15
Atom CB of residue 51
Atom CA of residue 114
Atom C of residue 83
Atom SG of residue 76
Atom CG2 of residue 2
Atom CD2 of residue 123
Atom O of residue 87
Atom N of residue 6
Atom CD1 of residue 108
Atom CA of residue 1
DistancePairScore 3
P3
Atom NZ of residue 1
Atom CB of residue 52
Atom CB of residue 110
VAL
ASN
Atom N of residue 5
P1
Atom NE1 of residue 62
Atom CD1 of residue 3
ARG
Atom CA of residue 80
simple_input.pdb
Atom N of residue 104
Atom CD2 of residue 3
PHE
ALA
ASN
P175
Atom CB of residue 37
Atom CE1 of residue 3
Atom C of residue 33
P12
Chain A
Atom CB of residue 3
Atom NH2 of residue 5
LYS
Atom CD1 of residue 25
Atom CG of residue 28
ARG
Atom O of residue 49
Atom CE2 of residue 3
Atom CG of residue 27
ARG
Atom NH1 of residue 5
Atom C of residue 54
Atom O of residue 116
Atom ND2 of residue 46
Atom C of residue 1
Atom OD1 of residue 77
Atom CA of residue 2
Atom N of residue 101
Atom CE1 of residue 3
Atom CA of residue 97
Atom O of residue 1
Atom NE of residue 73
Atom OG of residue 72
P355
Atom NH1 of residue 5
Atom O of residue 5
ARG
Fit restraint scratch map
Atom C of residue 3
FixedRefiner1
P8 RigidBodyHierarchy 1
PHE
Atom C of residue 31
Atom CB of residue 112
Atom CD of residue 5
Atom C of residue 44
P0
Atom CD1 of residue 17
ExcludedVolumeRestraint0
Atom CD1 of residue 3
Atom N of residue 109
P14
Atom N of residue 4
Atom CG of residue 3
connectivity list
Atom O of residue 60
Atom CD of residue 57
Atom O of residue 91
Atom CB of residue 123
Atom N of residue 86
Atom N of residue 1
Atom CB of residue 19
Atom N of residue 2
P30
Atom CB of residue 94
Atom CG of residue 125
Atom CA of residue 4
Atom C of residue 6
Atom CB of residue 48
Atom CD of residue 5
Atom NE of residue 21
Atom CA of residue 88
ARG
Atom OH of residue 23
Atom C of residue 116
Atom CD of residue 61
rigid bodies list
P176
Atom CZ of residue 68
Atom O of residue 118
Atom N of residue 5
Atom C of residue 125
CYS
Atom CB of residue 33
P124
Atom CE2 of residue 3
Atom CD1 of residue 23
P251
P2
GLY
CYS
Atom C of residue 79
Atom CA of residue 5
Atom CD of residue 1
Atom CD of residue 5
Atom CH2 of residue 28
Atom CA of residue 6
AccumulateRigidBodyDerivatives4
Atom CA of residue 1
Atom CG1 of residue 2
AccumulateRigidBodyDerivatives31
ASP
GridCPF
Atom NE1 of residue 123
Atom N of residue 91
Atom O of residue 69
Atom CB of residue 2
Atom O of residue 1
Atom O of residue 1
Atom C of residue 97
Atom O of residue 128
simple_input.pdb
Atom CZ of residue 73
AccumulateRigidBodyDerivatives41
Atom C of residue 98
Atom CB of residue 42
Atom CG of residue 41
Atom O of residue 1
Atom CG of residue 8
Atom NE of residue 5
Atom CA of residue 1
Atom O of residue 83
LeavesRefiner2
P16
SampledDensityMap4
Atom NH2 of residue 5
Atom C of residue 3
Atom CG of residue 44
rigid bodies list
Atom CG of residue 52
TupleRestraint 0
Atom CZ of residue 45
Atom CB of residue 74
P8 rigid body positions
Atom N of residue 21
Atom CE1 of residue 3
NullModifier4
Atom O of residue 2
Chain A rigid body positions
Atom CD1 of residue 28
P31
Atom CA of residue 8
Atom C of residue 7
Atom CB of residue 36
Atom N of residue 52
P1
Atom N of residue 50
P14
Atom O of residue 121
UpdateRigidBodyMembers28
Atom O of residue 106
Atom CA of residue 5
Atom C of residue 1
Atom C of residue 114
P303 RigidBodyHierarchy 0
Atom N of residue 3
KClosePairsPairScore 1
Atom N of residue 2
Atom CZ of residue 5
AccumulateRigidBodyDerivatives5
Atom CA of residue 46
P28
Atom CE2 of residue 3
GLU
Atom CE1 of residue 3
Atom CA of residue 96
Atom CA of residue 4
ASN
SER
Atom N of residue 1
VAL
Atom CG of residue 3
Atom N of residue 1
Atom C of residue 68
Atom N of residue 102
Atom O of residue 3
ConjugateGradients
P304
ALA
Atom CB of residue 1
LYS
Atom CZ of residue 3
GridCPF
Atom C of residue 80
Atom C of residue 1
Atom SG of residue 30
P74 RigidBodyHierarchy 2
Atom NH2 of residue 5
Atom CD1 of residue 3
Atom O of residue 75
Atom O of residue 54
VAL
Atom CD2 of residue 108
Atom C of residue 2
ARG
ASP
Atom CE3 of residue 62
Atom CB of residue 1
Atom O of residue 125
Atom O of residue 97
Atom O of residue 4
Atom CB of residue 87
Atom NH2 of residue 5
Atom CB of residue 5
Atom C of residue 40
Atom C of residue 1
VAL
Atom NZ of residue 1
Atom CD of residue 125
Atom CA of residue 5
UpdateRigidBodyMembers14
Atom CA of residue 3
Atom CD1 of residue 8
Atom C of residue 5
Atom CG of residue 112
Atom CE of residue 1
Atom CA of residue 106
Atom N of residue 128
Atom O of residue 66
Atom OD1 of residue 27
Atom CA of residue 114
ALA
Atom N of residue 6
GLY
P252
Atom CA of residue 4
GLY
Atom O of residue 30
Atom N of residue 3
Atom CG2 of residue 88
PHE
Atom O of residue 33
Atom NE of residue 5
Atom CB of residue 91
Atom CG of residue 123
Model 22
Atom CG of residue 19
Atom CA of residue 1
Atom N of residue 47
P32
Atom CD1 of residue 111
Atom C of residue 8
Atom NE of residue 5
DiameterRestraint center
Atom C of residue 5
Atom O of residue 1
Atom O of residue 116
Atom NE of residue 61
Atom CE2 of residue 62
Atom CD1 of residue 3
ALA
P51 RigidBodyHierarchy 6
UnaryFunction19
Atom CE2 of residue 3
P13
Atom C of residue 4
Atom CA of residue 18
Atom CA of residue 54
Atom CB of residue 116
PairScore 0
Atom N of residue 111
P354
Atom N of residue 64
Atom CZ of residue 5
AccumulateRigidBodyDerivatives10
Atom N of residue 31
RigidCPF
Atom NE of residue 5
Atom CB of residue 121
Atom C of residue 88
simple_input.pdb
Atom NH1 of residue 73
Atom CA of residue 1
Atom C of residue 1
Atom CD2 of residue 3
Atom CG1 of residue 2
Atom OD1 of residue 44
Atom CA of residue 68
Atom CZ of residue 5
Atom O of residue 1
Atom C of residue 1
P14 RigidBodyHierarchy 1
Atom N of residue 125
GLN
SoftSpherePairScore 7
Atom O of residue 15
Atom CB of residue 2
Atom O of residue 98
Atom O of residue 40
Atom CA of residue 39
Atom C of residue 4
Atom CA of residue 2
Atom CG of residue 37
Atom OG of residue 36
Atom CG of residue 48
LeavesRefiner4
Atom C of residue 27
Atom N of residue 24
P15
LYS
Atom O of residue 20
P177
ARG
Atom C of residue 4
Atom NH1 of residue 68
RestraintSet 16
NormalizeRotation5
P125
Atom CG of residue 56
Atom CA of residue 27
Atom CA of residue 64
P13
Atom NH1 of residue 5
Atom CG2 of residue 99
Atom CD2 of residue 23
P303 RigidBodyHierarchy 1
Atom CE of residue 1
Atom O of residue 1
connectivity list
Atom ND2 of residue 77
Atom O of residue 8
ConnectivityRestraint 1
Atom CA of residue 3
Atom CZ of residue 3
GridCPF
Atom CB of residue 106
Atom CB of residue 66
Atom O of residue 114
Atom CE2 of residue 123
Atom CB of residue 75
SER
Atom N of residue 5
P0
Atom CE2 of residue 28
Atom NH1 of residue 5
Atom CA of residue 82
Atom CA of residue 2
P175
simple_input.pdb
Atom CB of residue 97
Atom CB of residue 128
Atom CA of residue 5
Atom CD1 of residue 84
LYS
ASN
Atom CA of residue 60
P251
GLY
Atom C of residue 5
ASP
Atom N of residue 43
Atom N of residue 1
Atom CA of residue 13
Atom CD2 of residue 8
TupleRestraint 6
Atom CB of residue 83
Atom CA of residue 77
Atom C of residue 1
Atom NE2 of residue 15
CYS
Atom CD of residue 1
Atom SG of residue 94
P303
Atom O of residue 5
LeavesRefiner3
Atom CD1 of residue 88
Atom CZ of residue 21
Atom CZ of residue 5
ListSingletonContainer0
Atom OD1 of residue 87
Atom C of residue 1
Atom N of residue 2
Atom CA of residue 10
Atom C of residue 7
Atom CD2 of residue 28
Atom C of residue 2
Atom C of residue 5
Atom NH1 of residue 45
Atom CB of residue 125
SER
P1 RigidBodyHierarchy 0
Atom CA of residue 17
Atom CB of residue 2
Atom CD of residue 41
Atom CA of residue 1
PHE
P1 rigid body positions
Atom CA of residue 5
Atom CZ of residue 3
Atom CA of residue 3
Atom O of residue 2
Atom C of residue 3
P1
Atom CD2 of residue 111
TRP
Atom CZ2 of residue 62
UpdateRigidBodyMembers8
Atom O of residue 31
Atom CA of residue 1
P0
Atom O of residue 27
Atom NZ of residue 1
Atom N of residue 4
Atom C of residue 106
Atom CD of residue 1
Atom C of residue 114
Atom N of residue 73
Atom CD2 of residue 3
Atom C of residue 69
Atom CA of residue 109
Atom N of residue 1
LYS
P11
Atom CA of residue 101
Atom CG of residue 1
Atom C of residue 82
P176
P253 rigid body positions
Atom CA of residue 34
Atom C of residue 96
Atom O of residue 11
Atom N of residue 55
Atom NE1 of residue 108
Atom CG of residue 116
Atom CB of residue 1
Atom NE of residue 125
Atom C of residue 52
Atom OD1 of residue 37
The rigid members refiner
Atom O of residue 5
Atom O of residue 1
ARG
Atom O of residue 88
SampledDensityMap0
P74 rigid body positions
Atom NH2 of residue 73
Atom O of residue 77
Atom OE1 of residue 57
Atom CA of residue 1
DistancePairScore 2
ASP
Atom CA of residue 64
PHE
Atom CB of residue 30
P251 rigid body positions
Atom CD1 of residue 56
Atom CA of residue 121
Atom CG2 of residue 2
UnaryFunction23
P1
Atom C of residue 2
Atom C of residue 94
Atom CB of residue 8
Atom CZ of residue 3
Atom CB of residue 3
Atom CA of residue 104
ARG
P2
LYS
Atom C of residue 4
Atom CE3 of residue 28
Atom CG1 of residue 2
P7
Atom CG of residue 5
Atom C of residue 1
ListSingletonContainer10
Atom O of residue 4
Atom O of residue 80
DistancePairScore 4
P10
input.pdb
UpdateRigidBodyMembers23
TRP
Atom O of residue 5
SER
Atom O of residue 2
Atom O of residue 3
Atom O of residue 3
Atom CB of residue 116
Atom C of residue 39
Atom O of residue 3
THR
Atom N of residue 78
Atom CA of residue 119
P35
Atom NH1 of residue 5
Atom CG of residue 121
Atom O of residue 4
Atom N of residue 16
LYS
Atom CG of residue 1
Atom O of residue 5
P4
Atom NH1 of residue 5
Atom CG2 of residue 2
Atom CB of residue 82
Atom C of residue 2
simple_input.pdb
Atom CG of residue 74
ALA
Atom CZ of residue 5
Atom C of residue 34
HIS
Atom C of residue 18
Atom NH2 of residue 5
Atom CG1 of residue 2
Atom N of residue 3
Atom CE1 of residue 3
Atom CB of residue 98
Atom C of residue 10
Chain A
VAL
DistancePairScore 1
Atom CD2 of residue 3
P13
Atom N of residue 37
Atom CD2 of residue 84
Atom CB of residue 3
SER
Atom CD1 of residue 3
Atom C of residue 54
PairScore 1
Atom OD1 of residue 19
Atom O of residue 104
Atom C of residue 1
Atom CB of residue 5
P39
Atom SG of residue 30
Atom NH1 of residue 21
Atom NH1 of residue 5
Fit restraint
Atom C of residue 60
Atom CE1 of residue 23
ModelScoringFunction6
VAL
PRO
Atom ND2 of residue 44
Atom NH2 of residue 68
SoftSpherePairScore 2
Atom C of residue 13
Atom NH2 of residue 45
simple_input.pdb
Atom N of residue 4
RigidCPF
Atom CG1 of residue 2
GLY
ARG
Atom CG of residue 5
Atom CA of residue 5
Atom C of residue 2
Atom N of residue 3
Atom OE1 of residue 41
Atom N of residue 4
Atom CA of residue 5
Atom OD1 of residue 48
Atom CG of residue 97
AccumulateRigidBodyDerivatives1
Atom CB of residue 5
Atom N of residue 3
Atom CB of residue 114
Atom CD of residue 5
Atom CE3 of residue 123
Atom CB of residue 3
Atom CA of residue 102
THR
P1
Atom CE of residue 1
SingletonConstraint 1
Atom C of residue 17
Chain A rigid body positions
Atom NE2 of residue 57
Atom OG of residue 91
Atom CD1 of residue 123
Atom CB of residue 9
Atom CD of residue 1
DiameterRestraint3
DistancePairScore 0
Atom CD of residue 1
Atom CG2 of residue 118
Atom CB of residue 31
Frag2
Atom NH1 of residue 5
Atom CD of residue 112
Atom N of residue 89
Atom O of residue 34
Atom O of residue 96
PairScore 2
Atom N of residue 2
Atom C of residue 5
Atom CG1 of residue 99
ARG
ILE
Atom CE2 of residue 108
Atom CB of residue 3
RigidCPF
Atom CA of residue 4
Atom N of residue 1
Atom CA of residue 50
UpdateRigidBodyMembers41
Atom C of residue 64
Atom CA of residue 21
P4
Atom N of residue 74
Atom O of residue 10
Atom CG of residue 87
GridCPF
Atom CZ of residue 5
Atom CA of residue 86
MET
Atom NE1 of residue 28
Atom N of residue 95
P18
Atom CB of residue 6
Atom N of residue 3
Atom CD of residue 33
Atom CA of residue 128
Atom CG of residue 66
Chain A RigidBodyHierarchy 14
Atom CA of residue 91
Atom CA of residue 4
Atom CG2 of residue 2
Atom NH2 of residue 61
Atom NZ of residue 1
CYS
Atom CB of residue 124
Atom O of residue 52
P11
Atom CA of residue 118
Atom CG of residue 128
Atom N of residue 1
Atom CB of residue 27
Atom N of residue 3
Atom CA of residue 4
Atom C of residue 1
Atom CD1 of residue 3
P0
Atom O of residue 2
Atom O of residue 82
Atom CB of residue 80
Atom CD of residue 1
Atom CA of residue 31
Atom C of residue 121
Atom CA of residue 28
Atom CG of residue 83
Atom CA of residue 70
Atom CB of residue 40
AccumulateRigidBodyDerivatives28
Atom O of residue 39
Atom CG of residue 116
Atom CA of residue 94
ExcludedVolumeRestraint4
UnaryFunction21
Atom NE of residue 14
Atom CB of residue 1
GLY
Atom CD2 of residue 3
Atom CA of residue 69
P11
UnaryFunction0
Atom ND2 of residue 19
LYS
Atom CD of residue 1
Atom CE of residue 1
Atom CA of residue 52
Atom O of residue 2
Atom CD2 of residue 56
UpdateRigidBodyMembers40
Atom NE of residue 112
normalize rigid bodies
Atom CG of residue 106
Atom CA of residue 15
Atom CE2 of residue 3
Atom CA of residue 2
Atom CE1 of residue 3
Atom C of residue 119
VAL
Atom OD1 of residue 74
Atom CG of residue 75
Atom CD of residue 5
P40
Atom CZ2 of residue 28
Atom CG of residue 52
Atom CA of residue 1
Atom CG of residue 5
GLY
Atom C of residue 9
Atom N of residue 1
Atom C of residue 128
Atom CG of residue 5
PHE
P1 rigid body positions
ConjugateGradients
Atom O of residue 114
connectivity list
Atom CA of residue 2
Atom C of residue 109
VAL
Atom CB of residue 79
Atom CD1 of residue 3
ILE
Atom N of residue 69
Atom NH2 of residue 5
RigidCPF
Atom CZ of residue 5
P5
P1135
Atom C of residue 4
Atom N of residue 92
RestraintSet 12
Atom O of residue 54
UpdateRigidBodyMembers5
Atom CA of residue 47
Atom C of residue 101
Atom CZ of residue 125
Atom N of residue 119
Atom OD2 of residue 48
Atom CB of residue 88
Atom CB of residue 34
Atom CG of residue 114
Atom CZ2 of residue 123
Atom CB of residue 2
ConnectivityRestraint 0
simple_input.pdb
Atom CZ3 of residue 62
Atom CG of residue 125
AccumulateRigidBodyDerivatives40
ListSingletonContainer17
Atom CD of residue 1
Atom C of residue 77
Atom CG2 of residue 2
Atom CD2 of residue 123
P12
Atom CZ of residue 3
P24
VAL
Atom NZ of residue 1
ASN
Atom N of residue 7
Atom CG of residue 5
Atom CB of residue 1
Atom NH2 of residue 5
Atom CD of residue 121
Atom NH2 of residue 21
Atom O of residue 106
Atom CB of residue 35
Atom N of residue 3
Atom N of residue 45
P1
Atom CG of residue 1
P4
Atom CA of residue 43
P125 rigid body positions
P1
Atom CD of residue 128
Chain A
Atom N of residue 4
Atom O of residue 64
Atom N of residue 1
Atom CD2 of residue 3
Atom CA of residue 73
Atom O of residue 60
Model 7
Atom CZ3 of residue 62
Atom CA of residue 3
Atom CE2 of residue 28
Atom NE1 of residue 111
Atom CA of residue 111
Atom NE2 of residue 41
Atom C of residue 1
Atom CE of residue 1
Atom CD of residue 97
Atom CB of residue 128
Atom CD1 of residue 83
AccumulateRigidBodyDerivatives32
Atom OD2 of residue 87
P4
GLY
Atom N of residue 10
Atom N of residue 62
Atom CD2 of residue 3
Atom C of residue 4
Atom C of residue 1
AccumulateRigidBodyDerivatives2
Atom C of residue 21
RestraintSet 20
Atom N of residue 58
Atom N of residue 100
Atom CG1 of residue 98
Atom CD of residue 116
Atom C of residue 86
SoftSpherePairScore 5
Atom CE of residue 1
Atom C of residue 47
Atom CA of residue 1
Atom NZ of residue 1
Atom ND2 of residue 37
Atom N of residue 85
Atom OD1 of residue 106
Atom CB of residue 96
P4 rigid body positions
Model 20
Atom CA of residue 24
Atom C of residue 91
Atom CG of residue 3
Atom CA of residue 12
ALA
NormalizeRotation2
Atom CZ of residue 14
Atom CE2 of residue 3
THR
Atom N of residue 4
GLN
Atom C of residue 102
Atom CG of residue 93
Atom OD1 of residue 52
Atom O of residue 7
Atom N of residue 2
normalize rigid bodies
SoftSpherePairScore 3
Atom O of residue 13
P47
LYS
Atom CD of residue 5
P74 RigidBodyHierarchy 4
Atom C of residue 70
Atom CE of residue 1
AccumulateRigidBodyDerivatives30
LYS
RestraintSet 21
GLY
simple_input.pdb
Atom CA of residue 2
LYS
RestraintSet 6
Atom CA of residue 9
P41
Atom C of residue 3
Atom O of residue 68
Atom CE2 of residue 3
Atom CA of residue 69
KClosePairsPairScore 7
Atom SG of residue 80
Atom ND2 of residue 74
Atom N of residue 1
Chain A RigidBodyHierarchy 1
GLY
Atom CZ of residue 112
Atom CA of residue 1
Atom CB of residue 106
Atom OD1 of residue 66
P7
Atom O of residue 17
Atom CB of residue 114
Chain A
Atom CD1 of residue 75
Atom O of residue 109
simple_input.pdb
Atom CB of residue 39
Atom C of residue 5
Atom C of residue 31
ARG
Atom O of residue 121
Atom CE1 of residue 3
Atom N of residue 2
Atom CG of residue 79
Atom N of residue 20
Atom O of residue 47
Atom O of residue 101
P74 rigid body positions
Atom NH1 of residue 125
PHE
Atom CG1 of residue 88
Atom CG of residue 33
Atom CG of residue 73
GLY
VAL
TupleRestraint 8
ConnectivityRestraint 2
Atom N of residue 105
PHE
Atom CH2 of residue 62
Atom N of residue 1
UnaryFunction24
Atom CA of residue 5
Atom NH2 of residue 5
Atom N of residue 57
Atom CZ of residue 3
Atom CE1 of residue 3
Atom C of residue 8
DiameterRestraint4
Atom N of residue 3
RigidCPF
Atom CB of residue 1
Atom NE of residue 5
Atom CB of residue 5
Atom CZ2 of residue 62
Atom CG1 of residue 2
Atom CG of residue 1
VAL
Atom CA of residue 37
Atom CD of residue 125
Atom C of residue 4
Atom C of residue 5
Atom CA of residue 4
Atom CB of residue 118
Atom CG of residue 1
P48
Atom CG of residue 27
Atom OE1 of residue 121
Atom O of residue 128
KClosePairsPairScore 6
SingletonModifier 0
P31
LeavesRefiner1
ARG
Atom C of residue 12
Atom CZ3 of residue 28
Atom CA of residue 2
Atom CA of residue 4
LYS
VAL
ModelScoringFunction1
Atom CG2 of residue 98
Atom CE of residue 116
Atom O of residue 3
Atom N of residue 2
Atom CE2 of residue 111
Atom CB of residue 1
ASP
Atom C of residue 52
Atom N of residue 32
Atom CD of residue 1
Atom N of residue 46
P124
Atom N of residue 49
Atom CA of residue 2
Atom CG of residue 34
SER
Atom OG1 of residue 69
Chain A
Atom O of residue 4
UpdateRigidBodyMembers18
ConnectivityRestraint 9
Atom N of residue 1
VAL
Atom O of residue 2
Atom CB of residue 60
PHE
P9
Atom CA of residue 55
Atom O of residue 9
Atom CE3 of residue 108
input.pdb rigid body positions
Atom O of residue 86
Atom CB of residue 1
Atom C of residue 111
Atom O of residue 119
GLY
Atom CA of residue 1
SER
VAL
Atom CE2 of residue 23
rigid bodies list
PHE
Chain A
Atom CG of residue 1
LYS
Atom CG of residue 1
Atom C of residue 50
GLY
Atom CA of residue 89
Atom CA of residue 2
Atom CG of residue 1
Atom CD of residue 1
ARG
Atom O of residue 102
Atom CA of residue 78
Atom CB of residue 7
GLU
Atom N of residue 4
Atom CB of residue 13
Atom C of residue 64
RestraintSet 5
Atom OD1 of residue 27
simple_input.pdb
Atom CE of residue 97
Atom C of residue 24
Atom N of residue 55
P32
P8
Atom NZ of residue 1
ConjugateGradients
Atom C of residue 2
PHE
AccumulateRigidBodyDerivatives9
Atom O of residue 4
P5
Atom CD of residue 116
Atom N of residue 63
Atom CB of residue 47
Atom C of residue 1
Atom OD1 of residue 93
Atom CB of residue 68
AccumulateRigidBodyDerivatives19
Atom CE2 of residue 3
Atom C of residue 43
LEU
Atom CA of residue 46
Atom CB of residue 2
Atom NE of residue 128
Atom CA of residue 5
Atom ND2 of residue 106
Atom CB of residue 17
ILE
Atom CA of residue 1
Atom O of residue 5
Atom CB of residue 1
TRP
Atom NZ of residue 1
Atom N of residue 22
Atom CD2 of residue 83
Atom CD2 of residue 75
Atom CZ of residue 3
Atom N of residue 1
VAL
Atom CG2 of residue 2
Atom C of residue 95
P11
Atom CA of residue 2
Atom CB of residue 64
SER
Atom N of residue 5
Atom C of residue 73
GLY
P252
Atom CB of residue 1
Atom CA of residue 16
Atom CA of residue 100
normalize rigid bodies
P1 RigidBodyHierarchy 8
Atom OG1 of residue 40
Atom CH2 of residue 28
Atom N of residue 63
Atom C of residue 5
Atom CG2 of residue 2
Atom NH1 of residue 5
Atom O of residue 50
Atom O of residue 30
GLN
Atom CA of residue 4
Atom N of residue 5
Atom CB of residue 121
Atom OD2 of residue 66
Atom ND2 of residue 27
Frag1
Atom CG2 of residue 2
P6
PHE
Atom CB of residue 3
THR
Atom CG of residue 7
Atom CG of residue 1
Atom O of residue 52
AccumulateRigidBodyDerivatives34
Atom O of residue 21
Atom C of residue 1
Atom CG of residue 106
FixedRefiner2
UnaryFunction2
Atom CA of residue 1
Atom NZ of residue 1
Atom CA of residue 3
Atom NE of residue 125
Atom N of residue 4
Atom N of residue 5
P2
simple_input.pdb
Atom CA of residue 3
Atom CE of residue 33
Atom CG of residue 96
Atom CD of residue 114
Chain A
NullModifier1
Atom CZ3 of residue 123
Atom O of residue 91
Atom CZ2 of residue 108
Atom CG of residue 1
simple_input.pdb
Atom CA of residue 63
Atom CB of residue 101
Atom NH2 of residue 125
PHE
Atom N of residue 42
Atom CE of residue 1
Atom CA of residue 36
Chain A rigid body positions
Atom N of residue 5
Atom NE1 of residue 123
Atom N of residue 88
Atom CE2 of residue 3
P5
TYR
P15
Atom CA of residue 32
Atom NZ of residue 1
Atom N of residue 81
Atom O of residue 8
Atom C of residue 3
Atom CA of residue 3
simple_input.pdb
P176
Atom O of residue 111
Atom O of residue 95
Atom CB of residue 119
Atom CA of residue 7
UnaryFunction6
AccumulateRigidBodyDerivatives35
P175
Atom O of residue 18
Atom CZ of residue 5
Atom CD of residue 1
Atom CE3 of residue 28
GLY
Atom NH1 of residue 112
Atom C of residue 4
P26
Atom C of residue 1
Atom N of residue 5
P36
Atom C of residue 55
Atom CD of residue 1
Atom CB of residue 109
Atom CD1 of residue 98
Atom NZ of residue 116
Atom CG of residue 39
Atom CE of residue 116
Atom O of residue 12
Atom CZ of residue 61
Atom O of residue 64
Atom CD1 of residue 34
UpdateRigidBodyMembers12
Atom CD1 of residue 38
Atom CB of residue 77
ARG
Atom O of residue 24
ARG
ILE
LYS
P34
PHE
Atom CA of residue 119
Atom C of residue 9
Chain A
P74 RigidBodyHierarchy 0
Atom N of residue 4
Atom CB of residue 9
Atom CG of residue 5
Atom CB of residue 86
simple_input.pdb
Atom C of residue 78
Atom N of residue 5
Atom CG of residue 68
Atom CZ of residue 3
Atom CB of residue 43
P14 RigidBodyHierarchy 0
Atom CD1 of residue 58
PairScore 5
Atom C of residue 36
Atom CA of residue 58
Atom CA of residue 92
Atom N of residue 2
ARG
CYS
Atom CA of residue 1
Atom C of residue 38
Atom NH2 of residue 5
Atom O of residue 4
ListSingletonContainer7
GLY
Atom CA of residue 85
Atom CA of residue 4
UnaryFunction13
Atom O of residue 3
Atom O of residue 1
Atom CG of residue 114
Atom C of residue 4
Atom CA of residue 3
Atom N of residue 103
Atom C of residue 2
Atom CG of residue 1
Atom CG of residue 13
Atom C of residue 46
Atom CA of residue 5
Atom N of residue 75
Atom CG of residue 1
Atom NZ of residue 97
Atom SG of residue 64
UpdateRigidBodyMembers13
Atom O of residue 73
Atom CB of residue 1
Atom OD2 of residue 52
RestraintSet 7
GLY
Atom CB of residue 2
Chain A
P1
P7
Atom CD of residue 96
Atom NE of residue 114
Atom CH2 of residue 123
P1
Atom CE of residue 1
Atom O of residue 70
Atom CD of residue 79
PHE
Atom OG1 of residue 47
AccumulateRigidBodyDerivatives17
Atom CB of residue 64
Atom C of residue 2
Atom CB of residue 21
LYS
Atom CG of residue 17
Chain A rigid body positions
ARG
Atom C of residue 16
Atom CZ of residue 23
Atom N of residue 2
UpdateRigidBodyMembers4
Atom C of residue 5
DistancePairScore 7
Atom CG2 of residue 88
Atom N of residue 107
Atom C of residue 3
Atom CB of residue 91
Atom CE of residue 1
Atom CA of residue 45
Atom CA of residue 2
Atom CG2 of residue 69
Atom CB of residue 95
Atom O of residue 1
Atom C of residue 3
ALA
Chain A RigidBodyHierarchy 2
LYS
Atom C of residue 71
Atom N of residue 15
Atom NZ of residue 33
ListSingletonContainer11
RestraintSet 17
PHE
Atom CG of residue 1
Atom CE2 of residue 123
Atom ND2 of residue 93
Atom CZ of residue 3
Atom CA of residue 20
P51 rigid body positions
Atom CZ2 of residue 28
Atom C of residue 37
Chain A
SER
Atom CB of residue 30
UpdateRigidBodyMembers42
Atom NE2 of residue 121
Atom C of residue 85
Atom C of residue 4
Atom O of residue 2
Atom N of residue 28
RestraintSet 18
Atom N of residue 4
Atom CA of residue 3
Atom OD1 of residue 39
SampledDensityMap6
Atom CA of residue 3
Atom N of residue 83
Atom NZ of residue 13
Atom CZ of residue 128
Atom CD of residue 128
Chain A
Atom CG1 of residue 2
Atom OG of residue 60
Atom CB of residue 18
Atom NH1 of residue 5
Chain A rigid body positions
P1
VAL
Atom OD1 of residue 52
Atom CA of residue 4
Atom C of residue 2
Atom NH2 of residue 5
Atom NH2 of residue 112
P1134
Atom N of residue 67
Atom N of residue 84
Chain A
Atom O of residue 55
Atom NZ of residue 1
Atom CB of residue 2
Atom CG1 of residue 109
Atom CZ3 of residue 108
Atom NZ of residue 1
Atom CA of residue 3
Atom N of residue 4
Atom CH2 of residue 62
Atom CD of residue 68
Atom CB of residue 52
P35
Atom CB of residue 2
Atom CG of residue 77
Chain A
Atom CA of residue 1
Atom N of residue 53
Atom C of residue 5
P12
Atom N of residue 2
Atom O of residue 9
Atom CZ of residue 112
PHE
Atom OD1 of residue 106
Atom CD2 of residue 38
Atom CD of residue 114
P0
Atom CB of residue 18
Atom CG2 of residue 40
Atom CG of residue 46
VAL
Atom O of residue 78
ARG
Atom C of residue 4
Atom CB of residue 1
TRP
Atom CA of residue 1
Atom N of residue 59
Atom O of residue 5
Atom CD of residue 1
GridCPF
Atom C of residue 89
Atom CD of residue 1
Model 24
Atom CA of residue 67
Atom CB of residue 111
Atom O of residue 38
Atom O of residue 7
Atom O of residue 5
Atom C of residue 119
DiameterRestraint center
LYS
Atom CE2 of residue 3
Atom C of residue 118
Atom CB of residue 85
Atom CB of residue 1
PHE
Atom NZ of residue 116
Atom NH1 of residue 61
Atom CE3 of residue 111
P4 RigidBodyHierarchy 0
UpdateRigidBodyMembers38
P0
Atom CD2 of residue 34
Atom CZ of residue 5
Atom N of residue 1
Atom C of residue 92
Atom CB of residue 24
Atom C of residue 3
Atom N of residue 117
Atom CB of residue 12
Atom N of residue 7
Atom CG of residue 101
Atom N of residue 126
Atom O of residue 43
Atom O of residue 37
Atom O of residue 2
Atom CA of residue 49
Atom N of residue 5
Atom CA of residue 75
Atom CD1 of residue 88
Atom N of residue 76
GLY
Atom NZ of residue 1
Atom C of residue 3
Atom N of residue 70
Atom N of residue 1
Atom CE of residue 1
Atom CG of residue 121
Atom C of residue 1
Atom CA of residue 3
Atom OH of residue 23
Atom N of residue 1
P355
Atom N of residue 80
Chain A RigidBodyHierarchy 13
Atom O of residue 5
Atom NZ of residue 1
Atom N of residue 2
AccumulateRigidBodyDerivatives6
VAL
Atom ND2 of residue 93
Atom CB of residue 50
Atom ND2 of residue 27
Atom N of residue 122
Atom CA of residue 22
ALA
GLY
Atom CA of residue 15
GLY
UnaryFunction9
Atom CB of residue 70
LYS
Atom C of residue 3
Atom CA of residue 2
Atom O of residue 5
Atom CE of residue 1
LYS
Atom CA of residue 1
Atom CG of residue 1
Atom SG of residue 64
P1
Atom O of residue 71
Atom CA of residue 57
HIS
Atom CG of residue 5
Atom N of residue 8
Atom CG2 of residue 2
Atom N of residue 3
Atom N of residue 61
Atom CB of residue 1
Atom N of residue 99
Atom CD of residue 5
Atom CG of residue 1
Model 18
Atom CD1 of residue 25
Atom CE1 of residue 3
Atom CZ of residue 125
Atom O of residue 5
Atom CB of residue 2
Atom O of residue 118
Atom CZ of residue 114
Atom N of residue 124
6lyz.pdb
P6
Atom N of residue 2
Atom CZ of residue 3
Atom C of residue 45
P51
Atom CG2 of residue 47
Atom NH1 of residue 128
Atom O of residue 89
Atom CG of residue 21
Atom O of residue 4
ModelScoringFunction2
Atom CA of residue 5
Atom OG of residue 86
Atom OD2 of residue 52
Atom CG of residue 119
AccumulateRigidBodyDerivatives39
Atom NZ of residue 1
Atom CD of residue 13
Atom O of residue 10
LEU
ILE
ARG
Atom OD1 of residue 46
P355
Atom C of residue 3
AccumulateRigidBodyDerivatives36
Chain A
Atom CE of residue 96
Atom O of residue 3
VAL
ASN
Chain A
Atom CZ3 of residue 28
Atom CB of residue 7
Atom N of residue 2
Atom CA of residue 83
Atom O of residue 46
Atom NH1 of residue 112
Atom CA of residue 81
Atom O of residue 85
Atom CD1 of residue 17
Atom CB of residue 73
Atom ND2 of residue 39
GLY
Atom C of residue 2
Atom CD of residue 5
DiameterRestraint5
Atom CA of residue 63
Atom C of residue 2
Atom CZ of residue 3
Atom N of residue 29
Atom OD1 of residue 101
Atom CG of residue 111
UpdateRigidBodyMembers33
Atom N of residue 4
connectivity list
Atom C of residue 5
Atom C of residue 1
Atom N of residue 17
LYS
Atom CA of residue 55
Atom N of residue 2
Atom CZ2 of residue 111
Atom CG of residue 38
Atom CA of residue 65
Atom CD of residue 121
Atom CD of residue 5
Atom O of residue 3
Atom N of residue 5
SingletonConstraint 4
Atom CG2 of residue 2
Atom CB of residue 55
Atom CB of residue 3
Atom CH2 of residue 108
GLY
P1 rigid body positions
Atom CA of residue 5
TYR
Atom N of residue 4
GLY
Atom CB of residue 5
Atom CA of residue 42
Atom N of residue 94
UpdateRigidBodyMembers39
Atom CB of residue 2
Atom N of residue 65
P1 rigid body positions
Atom ND2 of residue 106
Atom NE of residue 114
Atom C of residue 58
Atom O of residue 100
LYS
Atom CG of residue 18
VAL
PHE
Atom CB of residue 78
LYS
Atom CD of residue 5
LYS
Atom CG of residue 128
GLY
Atom CG of residue 3
Atom OE2 of residue 35
Atom CA of residue 76
Atom CE of residue 1
VAL
Atom CB of residue 5
Atom N of residue 26
Atom C of residue 49
Atom N of residue 28
Atom CA of residue 4
Atom O of residue 2
Atom CD of residue 1
VAL
Atom N of residue 41
Atom CB of residue 5
CYS
simple_input.pdb
P5
Atom CE1 of residue 34
Atom N of residue 34
Atom C of residue 3
Atom OG of residue 91
VAL
Atom N of residue 87
Atom N of residue 117
VAL
Atom OD1 of residue 119
Atom CB of residue 37
P11
Atom CG of residue 1
Atom CG1 of residue 58
Atom N of residue 89
Atom N of residue 5
Atom C of residue 15
Atom CA of residue 3
Atom C of residue 2
Atom N of residue 2
Atom O of residue 45
Atom CG of residue 12
TRP
Atom CA of residue 2
Atom NH1 of residue 125
Atom CZ of residue 3
UnaryFunction22
Atom C of residue 57
P21
Atom N of residue 24
Atom CA of residue 4
PHE
Atom NZ of residue 1
Atom NE of residue 68
P17
Atom CG of residue 7
Atom O of residue 3
Atom N of residue 2
Atom CE of residue 13
AccumulateRigidBodyDerivatives0
ALA
Atom O of residue 5
Atom N of residue 5
Atom CE3 of residue 123
Atom N of residue 4
UpdateRigidBodyMembers10
Atom O of residue 44
Atom O of residue 2
Atom O of residue 3
Atom C of residue 4
Atom C of residue 44
Chain A
Atom N of residue 98
P46
Atom O of residue 2
NormalizeRotation8
P10
ARG
PHE
Atom CB of residue 3
Atom CG2 of residue 109
Atom CA of residue 103
Atom C of residue 3
P1 rigid body positions
Atom C of residue 3
Atom CA of residue 4
Atom C of residue 32
Atom CE2 of residue 3
Atom CB of residue 5
Atom C of residue 3
Atom CA of residue 2
Atom CG2 of residue 2
Atom CD2 of residue 17
Atom CG of residue 73
Atom O of residue 58
Atom OG of residue 24
Atom CD2 of residue 3
Atom CG of residue 25
Atom N of residue 48
Atom CB of residue 38
Atom O of residue 6
Atom NH2 of residue 128
Atom CB of residue 89
Atom C of residue 22
P10
Atom NH1 of residue 114
UpdateRigidBodyMembers30
ILE
Atom NE of residue 5
Atom N of residue 1
ASN
Atom CG of residue 5
P4
Atom CG2 of residue 58
Atom CB of residue 2
Atom CA of residue 84
Atom CE1 of residue 38
Atom O of residue 92
Atom CA of residue 1
Atom N of residue 4
Atom ND2 of residue 46
Atom O of residue 119
Atom C of residue 5
Atom NE of residue 5
LYS
LYS
Atom NE of residue 5
Atom CB of residue 3
Atom CB of residue 6
Atom CB of residue 5
Atom CG1 of residue 55
Atom N of residue 3
Atom N of residue 109
Atom N of residue 71
Atom CA of residue 5
GLY
P1 RigidBodyHierarchy 7
Atom N of residue 72
Atom NH1 of residue 14
ASN
Atom CD of residue 21
LYS
Atom C of residue 55
Atom CE1 of residue 3
Atom CB of residue 59
Atom N of residue 96
AccumulateRigidBodyDerivatives12
ARG
Atom N of residue 1
simple_input.pdb
Atom N of residue 92
Atom O of residue 3
Atom CB of residue 46
Atom CA of residue 56
Atom O of residue 1
Atom C of residue 2
LEU
Atom OD1 of residue 18
Atom C of residue 20
Atom C of residue 5
Atom C of residue 4
Atom C of residue 83
Atom N of residue 5
Chain A
Atom OE1 of residue 121
Atom NZ of residue 96
AccumulateRigidBodyDerivatives42
Atom N of residue 3
Atom N of residue 2
Atom CA of residue 41
Atom C of residue 5
Atom CA of residue 2
GLY
Atom CZ of residue 68
Atom CA of residue 126
Atom CA of residue 2
simple_input.pdb
CYS
Model 0
6lyz.pdb
Atom O of residue 3
P47
Atom NE of residue 128
Atom N of residue 1
Atom OE1 of residue 35
GLY
Atom CA of residue 10
GLY
GLY
Chain A
Atom OD2 of residue 101
Atom O of residue 4
Atom O of residue 57
Atom CA of residue 3
Atom CA of residue 107
Atom NZ of residue 1
Atom CB of residue 2
Atom N of residue 36
Atom CZ of residue 114
Atom CA of residue 1
Atom C of residue 100
AccumulateRigidBodyDerivatives3
Atom N of residue 40
PHE
ARG
Atom CB of residue 3
Atom C of residue 42
GLY
Atom C of residue 81
Atom CG1 of residue 2
Atom O of residue 2
P4
Atom C of residue 3
Atom N of residue 25
Atom CZ2 of residue 123
VAL
Atom C of residue 2
Atom CB of residue 44
P1
GLY
P303 rigid body positions
Atom CB of residue 119
Atom O of residue 2
Atom CB of residue 5
Atom CA of residue 35
Atom O of residue 15
Chain A
Atom C of residue 4
Atom N of residue 110
Atom CA of residue 99
P304
Atom CZ of residue 5
Atom OD2 of residue 119
Atom O of residue 32
Atom NH2 of residue 125
Atom OG of residue 50
Atom CG of residue 5
Atom C of residue 68
P303
P253
Atom CB of residue 92
Atom CE of residue 1
P252
LYS
P14 rigid body positions
Atom CA of residue 4
Atom C of residue 3
Atom CZ3 of residue 111
Atom CA of residue 53
ARG
Atom N of residue 53
ARG
ExcludedVolumeRestraint8
ARG
LYS
Atom O of residue 22
THR
AccumulateRigidBodyDerivatives18
GLU
Atom NH2 of residue 114
Atom OD1 of residue 77
rigid bodies list
Atom CA of residue 124
SER
VAL
GLY
Atom CB of residue 3
Atom CB of residue 45
Atom SD of residue 12
Atom C of residue 103
Atom C of residue 63
Atom CG1 of residue 78
Atom C of residue 5
AccumulateRigidBodyDerivatives8
RestraintSet 13
Atom C of residue 4
Atom C of residue 63
Atom C of residue 1
Atom N of residue 14
Atom CD1 of residue 58
P22
Atom C of residue 2
Atom NH2 of residue 73
Atom NE of residue 5
Atom C of residue 10
ASP
ARG
Atom O of residue 49
Atom O of residue 5
GLY
Atom CA of residue 2
Atom CA of residue 122
UnaryFunction10
Atom CG of residue 3
Atom CE2 of residue 38
Atom CE of residue 1
Atom CG of residue 5
FixedRefiner0
Fit restraint scratch map
PHE
Atom CE of residue 1
Atom CB of residue 3
P4 rigid body positions
Atom N of residue 65
SER
Atom C of residue 56
ARG
Atom NE of residue 21
Atom N of residue 86
Atom N of residue 18
Atom CA of residue 61
Atom CB of residue 58
Atom O of residue 3
Model 3
Atom O of residue 55
Atom CB of residue 5
ASP
Atom CD1 of residue 111
Atom OG1 of residue 43
Atom CG of residue 37
Atom CB of residue 2
Atom N of residue 107
PHE
Atom CG of residue 3
P0
VAL
P354
Fit restraint
Atom CB of residue 32
NullModifier8
Atom OG1 of residue 118
Atom NH2 of residue 14
Atom CG1 of residue 2
RigidCPF
Atom C of residue 1
Atom C of residue 3
Atom CE of residue 1
Atom O of residue 3
Chain A
Atom CA of residue 80
Atom CA of residue 3
Atom CB of residue 20
Atom N of residue 5
VAL
ILE
LYS
Atom N of residue 97
Atom CG of residue 18
Atom CE1 of residue 3
P14
Atom C of residue 4
Atom NH2 of residue 112
Atom N of residue 59
Atom C of residue 75
Atom CG2 of residue 2
P15
AccumulateRigidBodyDerivatives27
Atom CB of residue 10
P175
Atom CA of residue 117
Atom CA of residue 6
Atom N of residue 38
Atom C of residue 2
Atom CZ of residue 128
Atom C of residue 108
LYS
Atom C of residue 84
Atom NH1 of residue 114
Atom ND2 of residue 77
P51
THR
Atom C of residue 2
Atom O of residue 42
Atom O of residue 81
Atom N of residue 129
Atom CA of residue 5
Atom OG1 of residue 89
Atom CA of residue 1
VAL
ALA
Atom CB of residue 10
Atom N of residue 29
Atom N of residue 1
P16
Atom CH2 of residue 111
P40
Atom CA of residue 5
Atom CG1 of residue 2
ARG
Atom CG2 of residue 2
Atom C of residue 107
Atom N of residue 2
Atom CA of residue 2
Atom N of residue 47
Atom CG2 of residue 78
Atom CA of residue 29
Atom NH1 of residue 68
Chain A
Atom O of residue 63
Atom CB of residue 3
P10
Atom NE2 of residue 121
Atom CA of residue 1
VAL
Atom CD2 of residue 3
Chain A
P0
Atom CA of residue 4
Atom C of residue 80
Fit restraint
TYR
LEU
MET
VAL
UpdateRigidBodyMembers29
Atom CA of residue 89
Atom O of residue 2
UpdateRigidBodyMembers6
Atom N of residue 2
LYS
Atom CZ of residue 73
Atom N of residue 2
Atom O of residue 16
P74
Model 9
Atom CD1 of residue 3
Atom CA of residue 2
Atom CG of residue 45
Atom O of residue 4
Atom CD of residue 5
Atom CB of residue 57
Atom CA of residue 5
Atom O of residue 3
LEU
Atom C of residue 5
Chain A
P176
Atom CG of residue 3
Atom C of residue 41
PHE
Atom CG of residue 5
Atom CG2 of residue 2
Atom CD1 of residue 3
Atom C of residue 53
Atom CD2 of residue 111
Atom C of residue 126
Atom OD1 of residue 37
Atom CG of residue 119
Atom CA of residue 14
Atom N of residue 50
P13
Atom CE2 of residue 34
Atom CD2 of residue 15
RestraintSet 14
Atom CE of residue 1
GridCPF
Atom CD1 of residue 3
Atom CA of residue 24
RestraintSet 23
Atom C of residue 4
Atom CG1 of residue 2
Atom O of residue 5
Atom CG of residue 3
P0
PHE
Atom CB of residue 14
Atom C of residue 5
simple_input.pdb
ListSingletonContainer18
simple_input.pdb
Atom CB of residue 3
Atom CG1 of residue 92
Atom CA of residue 3
ARG
Atom N of residue 102
P74
P125
Atom N of residue 120
ASN
P19
Atom CA of residue 94
ASN
Atom C of residue 122
Atom N of residue 23
P177 rigid body positions
ALA
Atom CA of residue 7
Atom OD1 of residue 18
LYS
Atom N of residue 3
Atom CA of residue 71
Atom CG of residue 3
ARG
Atom CG2 of residue 43
Atom O of residue 56
Atom CZ of residue 5
Atom CZ of residue 38
Atom C of residue 61
Atom C of residue 1
Atom CG2 of residue 55
Atom C of residue 99
VAL
P8
Atom O of residue 80
Atom CA of residue 4
Atom CE of residue 12
Atom CA of residue 4
Atom CB of residue 2
ASN
input.pdb rigid body positions
Atom CA of residue 98
Atom CA of residue 65
Atom O of residue 19
NormalizeRotation1
LYS
Model 8
Atom N of residue 33
Atom O of residue 5
rigid bodies list
Atom C of residue 5
Atom N of residue 113
Atom O of residue 75
Atom CG2 of residue 89
Atom NH1 of residue 21
Atom N of residue 2
PHE
Atom CE1 of residue 3
Atom N of residue 11
Atom CA of residue 3
Atom O of residue 41
rigid bodies list
Atom CA of residue 48
Atom CG1 of residue 2
Atom N of residue 51
Atom CG2 of residue 2
Atom O of residue 108
P0
Atom O of residue 84
Atom C of residue 76
Atom CB of residue 55
Atom O of residue 2
Atom CB of residue 2
Atom NH1 of residue 5
Atom O of residue 63
Atom CB of residue 5
Atom CA of residue 4
Atom C of residue 29
UpdateRigidBodyMembers32
Atom OG1 of residue 51
Atom N of residue 126
LEU
simple_input.pdb
Atom NZ of residue 1
P74 rigid body positions
Atom N of residue 11
Atom C of residue 117
Atom CA of residue 87
Atom N of residue 70
Atom CA of residue 117
Atom O of residue 103
Atom CD2 of residue 3
SoftSpherePairScore 8
Atom N of residue 3
Atom O of residue 107
VAL
VAL
LYS
Atom NE2 of residue 15
Atom NZ of residue 1
Atom N of residue 10
VAL
THR
Atom O of residue 83
Atom N of residue 122
Atom OG of residue 85
FixedRefiner4
P45
Atom N of residue 4
Atom O of residue 4
P14
Atom CB of residue 3
UpdateRigidBodyMembers21
Atom CA of residue 105
Atom CA of residue 2
Atom CG2 of residue 2
Atom N of residue 1
Atom CE of residue 1
Atom CB of residue 2
Atom CG of residue 5
ASP
Atom CZ3 of residue 123
Atom CA of residue 40
Atom CG2 of residue 2
P9
Atom N of residue 5
Atom CB of residue 42
ARG
Atom CB of residue 81
Atom CB of residue 75
Atom CG of residue 57
Atom CB of residue 15
Atom CD of residue 14
Atom O of residue 5
Atom C of residue 5
P48
P0
Atom CA of residue 7
ALA
simple_input.pdb
Atom CA of residue 5
Atom N of residue 112
Atom O of residue 126
Atom CE1 of residue 20
Atom CA of residue 3
Atom CZ of residue 5
Atom N of residue 1
P74
Atom NH1 of residue 73
Atom NH2 of residue 5
Atom CG of residue 20
Atom CG1 of residue 2
P37
VAL
Atom CB of residue 3
Atom CB of residue 3
Atom O of residue 35
normalize rigid bodies
Atom NH1 of residue 5
ARG
Atom N of residue 115
Atom CB of residue 100
Atom C of residue 124
Atom CA of residue 92
Atom CA of residue 109
PRO
Atom CB of residue 80
Atom CG of residue 44
P23
Atom NH2 of residue 68
P355
GLY
Atom CG of residue 1
VAL
Atom CG1 of residue 2
P13
Atom C of residue 14
Atom CA of residue 72
Atom CA of residue 59
Atom OD2 of residue 18
Atom CG of residue 1
Chain A
Atom CB of residue 1
Chain A rigid body positions
Atom CB of residue 5
P4
ASN
Atom CA of residue 2
Atom N of residue 78
Atom N of residue 3
P46
Atom N of residue 1
Atom CZ of residue 3
Atom O of residue 99
ALA
Atom CG of residue 70
Atom CB of residue 41
Atom CA of residue 3
Atom N of residue 3
Atom CD1 of residue 78
Atom NE1 of residue 111
Atom C of residue 94
SER
AccumulateRigidBodyDerivatives37
Atom CB of residue 19
Atom O of residue 2
Atom N of residue 2
P37
Atom CG of residue 5
P21
Atom CG2 of residue 51
ARG
VAL
Atom NZ of residue 1
simple_input.pdb
Atom C of residue 5
UpdateRigidBodyMembers36
Atom CD of residue 5
Atom N of residue 5
Atom O of residue 4
Atom CG of residue 3
Atom C of residue 65
Atom NH1 of residue 128
ARG
Atom O of residue 4
Atom CG2 of residue 92
Atom O of residue 76
Atom CG1 of residue 55
Atom C of residue 4
Atom CD of residue 5
P0
P2
Atom OD1 of residue 119
Atom N of residue 3
Atom C of residue 65
Chain A
Chain A
Atom CA of residue 5
Atom CD2 of residue 3
Atom O of residue 124
Atom C of residue 4
Atom C of residue 24
Atom N of residue 56
LYS
Atom CB of residue 103
Atom O of residue 31
Atom NH1 of residue 5
Atom NZ of residue 1
Atom C of residue 3
P51 RigidBodyHierarchy 0
Atom CZ of residue 34
LYS
P49
Atom C of residue 3
Atom CA of residue 25
P3
Atom N of residue 13
ARG
Atom CZ of residue 14
Atom O of residue 29
Atom CA of residue 96
Atom CG2 of residue 2
Atom CG of residue 15
Atom N of residue 5
Atom CA of residue 34
Atom NH2 of residue 114
Atom CB of residue 3
Atom N of residue 4
LYS
Atom CZ of residue 21
Atom CD of residue 1
Atom C of residue 87
Atom CD1 of residue 3
Atom C of residue 117
Atom OD1 of residue 44
Atom CB of residue 5
Atom CB of residue 83
Atom C of residue 98
rigid bodies list
Atom NH2 of residue 21
Atom CB of residue 84
Atom CA of residue 18
Atom CA of residue 5
ALA
Atom CH2 of residue 123
P22
Atom O of residue 53
ARG
Atom CA of residue 129
TYR
Atom CD of residue 5
TRP
Chain A
Atom O of residue 5
VAL
CYS
P12
Atom CA of residue 110
Atom CA of residue 70
Atom CB of residue 63
Atom CE1 of residue 3
Atom CA of residue 2
Atom N of residue 44
Atom CE2 of residue 20
AccumulateRigidBodyDerivatives23
Atom C of residue 2
THR
VAL
Atom C of residue 72
Atom CB of residue 56
SER
Atom CB of residue 76
DistancePairScore 5
Atom C of residue 5
Atom NE of residue 5
KClosePairsPairScore 9
Atom CA of residue 47
WriteOptimizerState0
Atom CA of residue 53
Atom CB of residue 2
Atom CG of residue 3
Atom O of residue 65
Atom CG of residue 75
Atom C of residue 89
LYS
Atom N of residue 39
Atom CA of residue 3
AccumulateRigidBodyDerivatives38
Atom C of residue 2
Atom CD of residue 45
Atom CG of residue 3
Atom N of residue 69
Atom CB of residue 63
ListSingletonContainer15
Atom O of residue 14
UpdateRigidBodyMembers3
Atom CA of residue 107
Atom OG of residue 100
Atom CG of residue 3
Atom CB of residue 2
Atom CB of residue 2
Atom CD1 of residue 20
Atom CG of residue 1
Atom C of residue 96
Atom ND2 of residue 37
Atom N of residue 3
ASN
Atom NE of residue 14
Atom C of residue 4
Atom N of residue 1
Atom O of residue 122
Atom C of residue 34
Atom C of residue 3
Atom N of residue 19
Atom C of residue 92
Atom NH1 of residue 5
Atom C of residue 109
Atom O of residue 1
PHE
Atom CA of residue 29
Atom CD1 of residue 3
ASP
Atom N of residue 127
GLY
Atom O of residue 94
Atom C of residue 35
Atom C of residue 59
Atom NE of residue 5
Atom N of residue 22
P4 RigidBodyHierarchy 1
Atom O of residue 61
Atom CG of residue 19
Atom CA of residue 118
Atom CA of residue 2
ARG
Atom CG of residue 53
Atom N of residue 4
Atom NH2 of residue 5
simple_input.pdb
Atom C of residue 2
Atom CA of residue 97
P51 RigidBodyHierarchy 1
RestraintSet 19
P12
Atom CD of residue 70
Atom C of residue 40
Atom SG of residue 80
Atom CA of residue 102
LYS
AccumulateRigidBodyDerivatives33
Chain A
Atom O of residue 3
Atom O of residue 65
Atom CA of residue 74
SingletonConstraint 3
Atom N of residue 93
Atom O of residue 4
Atom O of residue 117
Atom CA of residue 5
Atom CD of residue 5
Atom NE of residue 5
Atom OD2 of residue 119
Atom CG of residue 5
Atom O of residue 5
P38
Atom N of residue 115
Atom CB of residue 24
Atom CB of residue 99
Atom NH1 of residue 61
Atom N of residue 43
Atom OG of residue 81
Atom CD1 of residue 3
PHE
Atom N of residue 90
Atom N of residue 35
Atom CD2 of residue 3
Atom N of residue 1
Atom CG of residue 3
ALA
Atom NH1 of residue 14
Atom O of residue 1
Atom CE2 of residue 111
Atom CB of residue 96
PHE
Atom N of residue 3
Atom CB of residue 31
Atom CA of residue 5
P252
Atom N of residue 2
Atom O of residue 89
Atom O of residue 34
Atom CB of residue 108
ILE
Atom O of residue 5
P10
ARG
Atom O of residue 2
Atom O of residue 87
Atom O of residue 117
Atom CA of residue 1
Atom C of residue 48
Atom CG of residue 5
Atom CD2 of residue 3
P1137
Atom CZ of residue 5
Atom C of residue 25
P44
Atom CZ of residue 5
Atom N of residue 3
Atom CG of residue 1
Atom CD1 of residue 3
Frag4
Atom CA of residue 51
Atom N of residue 3
Atom ND1 of residue 15
PHE
Atom CB of residue 122
Atom CA of residue 23
Atom CA of residue 2
Atom CA of residue 108
Atom CE2 of residue 3
Atom CE1 of residue 3
NullModifier7
Atom O of residue 4
Atom CG of residue 3
P251
Atom O of residue 5
Atom CE1 of residue 3
Atom NE of residue 45
Atom CG of residue 103
Atom N of residue 4
Atom CD1 of residue 63
Atom N of residue 79
Atom N of residue 52
Atom C of residue 19
Atom NH2 of residue 5
Atom CG of residue 56
Atom CA of residue 1
ALA
Atom NE of residue 5
Atom C of residue 107
Chain A
Atom C of residue 18
ARG
Atom CB of residue 61
Atom CB of residue 3
Atom C of residue 5
GridCPF
LYS
Atom CG2 of residue 2
Chain A rigid body positions
Atom CA of residue 50
Atom C of residue 2
Atom CA of residue 113
Atom CA of residue 4
Atom CA of residue 86
Atom CD of residue 73
Atom CE2 of residue 3
Atom NH2 of residue 5
Atom C of residue 110
Atom CD of residue 41
Atom C of residue 4
P253
Atom CA of residue 1
Atom CG of residue 63
LYS
Atom O of residue 72
Atom N of residue 3
Atom CA of residue 3
Atom CD of residue 57
Atom CA of residue 22
Atom C of residue 74
DiameterRestraint1
Atom SG of residue 76
Atom CA of residue 19
Atom C of residue 11
Atom O of residue 4
Atom NZ of residue 1
Atom C of residue 53
Atom C of residue 105
Atom CD2 of residue 25
Atom N of residue 113
ARG
Atom SG of residue 6
Atom O of residue 3
P19
Atom CA of residue 115
Atom C of residue 3
Atom CG1 of residue 124
P304
Atom CA of residue 4
PairScore 9
UpdateRigidBodyMembers43
P3
Atom O of residue 48
Atom CA of residue 66
Atom CZ of residue 20
P4 RigidBodyHierarchy 2
ARG
Atom CB of residue 5
Atom NH2 of residue 128
Atom N of residue 16
Chain A
Atom ND2 of residue 44
Atom CA of residue 112
Atom CZ of residue 5
Atom CA of residue 120
Atom NH1 of residue 5
Atom O of residue 2
Atom CB of residue 1
Atom C of residue 51
Atom CG of residue 3
Atom CA of residue 3
GLY
Atom CE2 of residue 3
Atom C of residue 4
/scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/input/in.mrc
Atom C of residue 3
Atom O of residue 40
Atom C of residue 29
ConnectivityRestraint 7
ASN
THR
P51 rigid body positions
Atom N of residue 82
simple_input.pdb
Atom C of residue 129
Atom NH2 of residue 5
LEU
Atom CD1 of residue 3
Atom CG1 of residue 2
GLY
Atom N of residue 118
Atom CD1 of residue 53
Atom O of residue 96
Atom N of residue 3
PHE
Atom CB of residue 1
UnaryFunction7
Atom C of residue 4
Atom O of residue 86
Atom CB of residue 34
Atom C of residue 97
P2
P39
Atom CG of residue 84
Atom C of residue 2
TRP
P45
Atom CB of residue 1
Model 10
Atom C of residue 47
simple_input.pdb
Atom CA of residue 126
Atom CB of residue 94
Atom CA of residue 16
Atom NH1 of residue 5
ALA
Atom CD1 of residue 3
Atom CA of residue 78
Atom CD of residue 1
Atom NH1 of residue 5
PHE
Atom CB of residue 3
Atom CZ of residue 3
Atom CE3 of residue 111
Atom CA of residue 38
Atom CA of residue 4
ASN
Atom CG of residue 108
Atom C of residue 4
LYS
Atom CZ of residue 3
P354
Atom N of residue 81
MET
Atom CA of residue 122
Atom O of residue 1
normalize rigid bodies
ASN
Atom CA of residue 20
Atom CE1 of residue 3
Atom O of residue 25
Atom O of residue 24
Atom CA of residue 77
Atom CA of residue 4
Atom CA of residue 1
ARG
Atom CB of residue 51
ASN
Atom C of residue 2
Atom CB of residue 65
P8
CYS
Atom N of residue 101
AccumulateRigidBodyDerivatives22
Atom N of residue 56
P15
ExcludedVolumeRestraint1
UpdateRigidBodyMembers16
PRO
Atom CE1 of residue 3
Atom CG of residue 83
Atom C of residue 4
PHE
Atom OE1 of residue 57
GLU
Atom CD of residue 1
Atom CA of residue 129
Atom N of residue 4
Atom CA of residue 11
Atom N of residue 5
Atom O of residue 109
Atom C of residue 67
Atom C of residue 102
CYS
P2
Atom O of residue 105
Atom CA of residue 33
Atom CA of residue 6
LYS
/scratch/nightly-build-3697/imp-SVN.r14111/modules/restrainer/test/input/in.mrc
Atom C of residue 23
Atom CB of residue 89
P5
Atom OD1 of residue 19
Atom CB of residue 60
Atom N of residue 124
Atom CB of residue 2
Atom CB of residue 87
Atom CG of residue 41
Atom O of residue 1
Atom O of residue 4
GLY
Model 16
Atom CA of residue 5
Atom O of residue 2
ARG
Atom C of residue 126
Atom C of residue 3
AccumulateRigidBodyDerivatives29
Atom NE of residue 5
SingletonModifier 3
Atom CA of residue 1
Atom O of residue 107
Atom CE1 of residue 3
Atom C of residue 4
Atom C of residue 78
P74 RigidBodyHierarchy 5
Atom O of residue 92
Atom N of residue 118
Atom C of residue 70
Chain A RigidBodyHierarchy 15
Atom O of residue 53
Atom CD2 of residue 3
Atom C of residue 50
simple_input.pdb
Atom N of residue 26
Atom C of residue 113
Atom C of residue 4
Atom C of residue 3
Atom N of residue 123
ARG
CYS
Atom N of residue 5
Atom N of residue 5
Atom CZ of residue 45
Atom CB of residue 29
Atom O of residue 59
Atom CD1 of residue 63
Atom C of residue 1
Atom CD2 of residue 15
Atom CG of residue 5
GLY
PHE
Atom CG of residue 61
DiameterRestraint center
Atom CD1 of residue 124
Atom CA of residue 56
Atom CA of residue 4
Atom CG1 of residue 99
Atom CA of residue 4
Atom O of residue 11
Atom CG of residue 63
THR
Atom CA of residue 3
GLY
Atom CA of residue 44
PHE
LYS
Chain A
Atom CD1 of residue 3
Atom O of residue 59
Atom CG of residue 65
Atom CA of residue 4
UpdateRigidBodyMembers22
Atom CD1 of residue 84
Atom NE of residue 73
Model 14
ExcludedVolumeRestraint6
Atom C of residue 66
GLY
P9
Atom O of residue 129
Atom NH2 of residue 5
VAL
Atom CB of residue 69
Atom CA of residue 5
Atom O of residue 110
Atom N of residue 2
LEU
Atom CA of residue 13
Atom OD1 of residue 103
Atom N of residue 1
Atom C of residue 120
Atom C of residue 33
Atom CB of residue 2
Atom C of residue 6
GLY
Atom C of residue 2
Atom O of residue 74
P6
Atom O of residue 97
P0
GLY
Atom CA of residue 62
Atom C of residue 2
Atom O of residue 20
Atom O of residue 47
P252
Atom NE of residue 5
Atom O of residue 126
Atom CB of residue 65
UpdateRigidBodyMembers37
Atom O of residue 98
Atom O of residue 4
Atom CG1 of residue 2
GLY
TupleRestraint 5
Atom O of residue 2
Atom CB of residue 78
Atom N of residue 45
Atom O of residue 51
LYS
Atom CD2 of residue 3
Atom CA of residue 59
P8 rigid body positions
Atom CD2 of residue 3
Atom CB of residue 1
Atom O of residue 18
P20
Atom N of residue 5
ASN
Atom CB of residue 40
Atom O of residue 5
Atom N of residue 120
Atom CB of residue 2
Atom CA of residue 43
Atom CA of residue 105
AccumulateRigidBodyDerivatives25
P7
Atom CD1 of residue 75
Atom C of residue 16
Atom CE2 of residue 3
Atom C of residue 1
Atom O of residue 5
Atom CA of residue 3
Chain A
Atom C of residue 11
Atom O of residue 70
P253
Atom CD of residue 5
Atom O of residue 1
Atom O of residue 46
Atom N of residue 32
Atom CA of residue 3
Atom NE of residue 5
Atom CB of residue 72
Atom CA of residue 71
Atom CB of residue 3
Atom O of residue 2
Atom CG of residue 34
Atom CD1 of residue 108
Atom ND2 of residue 19
RestraintSet 10
LEU
P51 RigidBodyHierarchy 4
Atom CA of residue 2
NullModifier3
Atom N of residue 1
Atom C of residue 122
Atom CB of residue 3
Atom CA of residue 2
Atom C of residue 115
PHE
simple_input.pdb
Atom O of residue 3
Atom CB of residue 92
Atom CB of residue 109
Atom CE2 of residue 3
Atom CB of residue 1
DiameterRestraint2
Atom CA of residue 3
ARG
Atom O of residue 102
Atom CA of residue 127
Atom OH of residue 20
Atom CD1 of residue 83
Atom CB of residue 33
ALA
SingletonModifier 2
Atom CD1 of residue 56
LYS
Atom OG of residue 60
Atom N of residue 4
ILE
Atom CA of residue 2
P2
VAL
SER
Atom N of residue 4
Atom CA of residue 1
Atom CG of residue 14
Atom C of residue 5
Atom C of residue 3
P1 RigidBodyHierarchy 3
Atom CZ of residue 5
Atom CB of residue 69
Atom CB of residue 1
P9
UpdateRigidBodyMembers31
Atom CA of residue 39
SampledDensityMap2
Atom CB of residue 25
Atom CG2 of residue 99
THR
simple_input.pdb
Atom OG1 of residue 69
Atom CA of residue 3
Atom O of residue 50
Atom CA of residue 113
UnaryFunction5
Atom CG2 of residue 2
Atom N of residue 3
ARG
P36
GLY
Atom CE of residue 1
SingletonConstraint 0
Atom CA of residue 79
Atom CG1 of residue 29
Atom CZ of residue 3
Atom CD2 of residue 53
P355
Atom C of residue 3
P8
Atom O of residue 4
Atom NE2 of residue 57
Atom CB of residue 98
Atom CE1 of residue 15
Atom CA of residue 4
AccumulateRigidBodyDerivatives16
Atom CA of residue 115
Atom CG of residue 5
ARG
ConnectivityRestraint 4
ARG
P12
RigidCPF
Chain A RigidBodyHierarchy 7
Atom SG of residue 94
Atom N of residue 5
Atom NH2 of residue 5
Atom CB of residue 59
Atom C of residue 2
Atom C of residue 86
Atom CG of residue 1
ASP
Atom C of residue 2
MET
Atom CD2 of residue 63
Atom CB of residue 48
Atom N of residue 1
Atom O of residue 4
Atom C of residue 38
Atom N of residue 127
Atom CB of residue 5
RestraintSet 3
Atom CE2 of residue 3
Chain A rigid body positions
NullModifier5
Atom O of residue 78
P18
Atom C of residue 56
Atom C of residue 5
Atom C of residue 4
ALA
Atom O of residue 36
Atom C of residue 13
Atom ND2 of residue 103
P1 RigidBodyHierarchy 6
Atom O of residue 120
Atom N of residue 5
Atom CB of residue 5
Atom OD1 of residue 65
Atom C of residue 22
Atom CG of residue 3
Atom CB of residue 2
Atom CE2 of residue 3
P251
Atom CA of residue 93
Atom O of residue 3
Atom N of residue 5
Atom C of residue 1
Atom C of residue 112
Atom CB of residue 53
Atom CE1 of residue 3
VAL
Atom CZ of residue 5
Atom CD of residue 5
Atom OD1 of residue 65
Atom O of residue 3
Atom CB of residue 107
Atom CB of residue 5
simple_input.pdb
Atom C of residue 39
Atom O of residue 67
UpdateRigidBodyMembers25
P7
Atom CB of residue 110
P29
Atom NH1 of residue 45
ARG
Atom NE of residue 5
Atom CE2 of residue 3
UnaryFunction8
Atom CD2 of residue 63
Atom C of residue 14
Atom CE1 of residue 3
Atom CB of residue 2
TupleRestraint 1
Atom C of residue 1
Atom C of residue 3
Atom CB of residue 3
Atom CD of residue 35
normalize rigid bodies
P1 rigid body positions
simple_input.pdb
THR
Atom C of residue 62
Atom CA of residue 1
LYS
Atom O of residue 3
Atom CD of residue 5
Atom N of residue 5
Atom O of residue 16
Atom CB of residue 129
TRP
Atom O of residue 23
Atom OG1 of residue 89
Atom CD of residue 5
Atom CG1 of residue 2
Atom CG of residue 87
ListSingletonContainer1
Atom O of residue 1
Atom CD of residue 96
Atom C of residue 46
Atom O of residue 33
Atom OG of residue 72
Atom C of residue 59
Atom CD2 of residue 75
Atom CG of residue 3
Atom CD2 of residue 56
Atom CA of residue 90
Atom CB of residue 107
Atom CB of residue 97
Atom CB of residue 38
Atom CD of residue 61
Atom N of residue 77
Atom CB of residue 11
Atom O of residue 2
Atom NE1 of residue 63
Atom CB of residue 47
Atom O of residue 29
Atom CZ2 of residue 111
Atom CA of residue 32
Atom O of residue 113
Atom CB of residue 74
Atom C of residue 4
Atom CG of residue 3
Atom O of residue 115
Atom CD2 of residue 84
Atom N of residue 4
Atom CB of residue 3
Atom CZ of residue 3
Atom CG2 of residue 69
Atom CA of residue 3
Atom N of residue 4
P49
Atom N of residue 21
Atom C of residue 1
Atom CA of residue 2
GLY
Atom C of residue 71
Atom CG1 of residue 2
Atom CD1 of residue 3
Atom N of residue 129
SoftSpherePairScore 6
Atom CB of residue 5
Atom CG1 of residue 2
rigid bodies list
Atom CA of residue 1
Atom CB of residue 11
P13
SingletonConstraint 2
GLY
Atom OE2 of residue 7
input.pdb
Atom O of residue 5
Atom CD2 of residue 83
Atom CG1 of residue 2
Fit restraint
Atom CZ of residue 5
Atom CB of residue 3
Atom O of residue 3
Chain A RigidBodyHierarchy 9
ARG
Chain A
Atom CB of residue 5
UpdateRigidBodyMembers17
Atom O of residue 39
Atom CA of residue 125
Atom N of residue 68
Atom CB of residue 70
Atom N of residue 5
LYS
P2
Atom C of residue 127
Atom O of residue 66
Atom N of residue 95
Atom O of residue 14
Atom C of residue 2
Atom NH1 of residue 5
Atom CE1 of residue 3
Atom CD1 of residue 34
Atom OE2 of residue 35
Atom N of residue 20
AccumulateRigidBodyDerivatives7
Atom CA of residue 12
Atom CE1 of residue 53
Atom O of residue 2
ARG
Atom CD2 of residue 108
Atom CA of residue 101
P30
Atom CG1 of residue 92
simple_input.pdb
Atom C of residue 4
simple_input.pdb
ASN
P177
Atom C of residue 43
LeavesRefiner6
ARG
Atom CG of residue 5
Atom CD1 of residue 3
Atom CD of residue 1
P125 RigidBodyHierarchy 1
Atom NE of residue 61
Atom CA of residue 81
VAL
Atom CB of residue 105
Atom CB of residue 2
P1
Atom O of residue 4
Atom C of residue 115
P124
KClosePairsPairScore 4
Atom CB of residue 1
Atom OG1 of residue 40
Atom N of residue 49
GLY
UnaryFunction20
P33
Atom CB of residue 50
Atom O of residue 2
Atom CD of residue 5
P1 rigid body positions
PHE
Atom CD of residue 1
Atom CG of residue 38
Atom CG2 of residue 2
Atom CZ of residue 3
Atom C of residue 1
P14
Atom CA of residue 3
LEU
Atom C of residue 3
Atom CA of residue 4
NormalizeRotation3
Atom CG of residue 53
UpdateRigidBodyMembers0
Atom CE2 of residue 3
Atom CG1 of residue 2
Atom CB of residue 3
ARG
Atom CG2 of residue 89
UpdateRigidBodyMembers20
Atom CD1 of residue 3
ARG
Atom CD1 of residue 3
Atom CG2 of residue 2
Atom OD1 of residue 87
P28
Atom NH2 of residue 45
Atom CA of residue 5
Atom CZ of residue 3
Atom NE1 of residue 63
P0
Atom CA of residue 82
Atom N of residue 58
Atom O of residue 2
Atom O of residue 122
Atom N of residue 108
VAL
Atom C of residue 93
Atom N of residue 100
Atom CB of residue 1
Atom CB of residue 2
ConjugateGradients
P25
Atom CG of residue 112
Atom CZ3 of residue 111
Atom O of residue 38
RestraintSet 24
CYS
NormalizeRotation6
Atom NE of residue 5
P51 RigidBodyHierarchy 2
Atom C of residue 113
Atom CA of residue 123
Atom CB of residue 23
Atom N of residue 61
Atom C of residue 101
Atom N of residue 104
Atom C of residue 79
Atom N of residue 1
Atom CG2 of residue 2
Atom CD2 of residue 3
Atom C of residue 104
Atom OG of residue 24
Atom CB of residue 3
P303 rigid body positions
Atom CD of residue 1
Atom CB of residue 29
GLY
Atom CB of residue 120
Atom CA of residue 120
Atom C of residue 105
Atom CB of residue 113
Atom CG of residue 3
SingletonConstraint 5
Atom N of residue 108
Atom O of residue 69
Atom O of residue 1
Atom O of residue 5
Atom CB of residue 39
P14 RigidBodyHierarchy 2
ASN
Atom CG2 of residue 55
Atom CB of residue 3
PHE
Atom CZ of residue 5
Atom CB of residue 2
Atom CG of residue 65
Atom OG1 of residue 51
Atom CB of residue 2
Atom O of residue 71
Chain A RigidBodyHierarchy 8
Atom CD1 of residue 3
Atom CG1 of residue 98
Atom C of residue 90
Atom N of residue 1
Atom CG1 of residue 2
Atom CZ of residue 5
Atom CE1 of residue 15
Atom CD2 of residue 3
Atom CA of residue 4
P8 RigidBodyHierarchy 2
KClosePairsPairScore 3
Atom CD1 of residue 55
P124
Atom CE2 of residue 3
simple_input.pdb
Atom CG1 of residue 109
Atom C of residue 3
ExcludedVolumeRestraint5
Atom C of residue 4
P1
Atom CA of residue 5
Atom CB of residue 3
Atom CZ of residue 3
LEU
P125
Atom CB of residue 1
Atom CD1 of residue 124
Atom O of residue 62
P29
Atom CB of residue 66
Atom CA of residue 26
DiameterRestraint center
Atom N of residue 17
Atom CD of residue 5
Atom N of residue 57
Chain1
Atom O of residue 4
Atom CB of residue 36
Atom O of residue 13
Chain A
P26
Atom CG1 of residue 2
Atom CG of residue 59
Atom NZ of residue 1
Atom NE1 of residue 108
Atom CB of residue 5
Chain A
P176
VAL
GLY
Atom CB of residue 101
Atom CA of residue 124
Atom CA of residue 5
Atom CG2 of residue 40
RestraintSet 4
Atom CG2 of residue 29
Atom C of residue 3
Atom CA of residue 4
ARG
Atom O of residue 43
Atom CA of residue 2
P303
GLY
Atom CG of residue 74
Atom CE of residue 1
Atom CG of residue 3
Atom N of residue 12
Atom NZ of residue 1
Atom C of residue 12
Atom CA of residue 67
P3
Atom N of residue 88
Atom CG of residue 105
Atom CG2 of residue 2
Atom NH1 of residue 5
Atom CG of residue 3
NormalizeRotation7
Atom CB of residue 15
Atom NH2 of residue 5
P1 rigid body positions
Atom N of residue 5
ListSingletonContainer3
P51 rigid body positions
RestraintSet 15
Atom CA of residue 68
ExcludedVolumeRestraint3
NullModifier6
Atom NZ of residue 1
Atom C of residue 5
Atom CB of residue 5
P0
Atom CG of residue 96
Atom CG1 of residue 2
ListSingletonContainer12
KClosePairsPairScore 0
simple_input.pdb
Atom CG of residue 129
simple_input.pdb
Atom CD2 of residue 34
Atom C of residue 5
Atom CG of residue 5
Atom N of residue 36
Atom NH2 of residue 61
Atom O of residue 5
Atom N of residue 12
Atom CG of residue 1
LYS
Atom O of residue 3
Atom O of residue 3
LYS
VAL
Atom O of residue 105
Atom N of residue 76
Atom ND2 of residue 65
Atom CG of residue 97
Atom N of residue 85
TYR
Atom N of residue 3
ARG
Atom CE of residue 1
Atom CD2 of residue 3
Atom O of residue 1
PHE
DistancePairScore 6
Atom CD2 of residue 3
Atom OG1 of residue 47
P15
ILE
ExcludedVolumeRestraint2
Atom CD2 of residue 3
Atom CB of residue 122
Atom CE1 of residue 3
ListSingletonContainer8
Atom CB of residue 115
Atom CD1 of residue 38
P43
Atom O of residue 104
P253 RigidBodyHierarchy 0
Atom CG2 of residue 92
UnaryFunction15
P125
Atom N of residue 111
Atom CZ of residue 3
Atom N of residue 71
P1
P27
Atom CA of residue 103
Atom CZ of residue 5
ALA
Atom CG1 of residue 58
Atom CG of residue 1
UnaryFunction4
Atom CE of residue 1
Atom CA of residue 4
Atom CG2 of residue 78
Atom OE1 of residue 41
P177 RigidBodyHierarchy 0
Atom O of residue 79
Atom O of residue 4
Atom C of residue 4
Atom CB of residue 5
Atom NH1 of residue 5
Atom C of residue 82
P5
P51 RigidBodyHierarchy 5
PHE
Atom O of residue 2
Atom CG2 of residue 109
Atom CA of residue 45
Atom CG of residue 48
Atom CA of residue 8
Atom O of residue 127
Atom CG1 of residue 120
Atom N of residue 73
Atom ND2 of residue 59
Atom C of residue 5
Atom O of residue 113
Atom NE of residue 5
Atom CB of residue 86
AccumulateRigidBodyDerivatives43
LYS
Atom N of residue 25
Atom C of residue 28
Atom C of residue 5
NormalizeRotation0
P1 RigidBodyHierarchy 2
Atom CA of residue 2
simple_input.pdb
Atom O of residue 90
RestraintSet 22
Atom O of residue 1
Atom CD1 of residue 3
DistancePairScore 8
Atom C of residue 62
Chain A
Atom CB of residue 3
Atom CB of residue 13
Atom CD of residue 1
Atom CH2 of residue 111
Atom O of residue 1
Atom CA of residue 127
Atom ND2 of residue 65
Atom C of residue 1
Atom OD1 of residue 59
Atom CG of residue 23
Model 19
PairScore 6
LeavesRefiner5
Atom O of residue 101
Atom CB of residue 1
Atom CD1 of residue 55
Atom CA of residue 3
Atom N of residue 125
Atom C of residue 118
Atom NH2 of residue 5
Atom CE of residue 1
UpdateRigidBodyMembers19
P16
Atom N of residue 30
Atom O of residue 4
Atom CD of residue 33
P42
LEU
Atom CE2 of residue 53
AccumulateRigidBodyDerivatives15
Atom SG of residue 6
Chain A
P44
Atom CB of residue 5
Atom N of residue 5
Atom OD2 of residue 87
Atom OG of residue 36
Atom N of residue 2
ExcludedVolumeRestraint7
Atom CE of residue 1
Atom N of residue 84
RestraintSet 1
Atom CG2 of residue 58
Atom CB of residue 14
Atom OG of residue 50
RestraintSet 25
Atom CG of residue 15
Atom O of residue 1
Atom CB of residue 5
Chain A
Atom CG of residue 39
VAL
Atom CB of residue 62
Atom N of residue 2
P1
FixedRefiner3
Atom CG2 of residue 2
ALA
Atom CG2 of residue 2
Atom CD1 of residue 129
Atom O of residue 22
Atom NH1 of residue 5
P38
P9
Atom CB of residue 2
Atom C of residue 77
SER
Atom CD of residue 1
Atom CA of residue 1
Atom NH1 of residue 5
Atom C of residue 103
ILE
Atom CG2 of residue 2
Atom N of residue 72
P11
Atom CD2 of residue 3
Atom CZ of residue 5
Atom C of residue 4
Atom C of residue 69
Atom CD of residue 97
Atom CA of residue 3
ListSingletonContainer13
Atom O of residue 93
Atom C of residue 124
Atom N of residue 1
Atom N of residue 4
Atom CG2 of residue 47
Atom CG of residue 5
Atom CG of residue 66
Atom C of residue 2
Atom C of residue 2
Atom CD1 of residue 3
Atom N of residue 2
Atom CG2 of residue 98
Atom C of residue 129
P3
Atom O of residue 115
Atom O of residue 62
TRP
Atom NH1 of residue 5
Atom CG of residue 3
restrainer module unit tests succeeded
modules/multifit/src/symmetry_utils.cpp:338: warning: unused parameter 'dn_symm_deg'
modules/multifit/src/symmetry_utils.cpp:338: warning: unused parameter 'threshold'
modules/multifit/src/symmetry_utils.cpp:433: warning: unused parameter 'threshold'
modules/multifit/src/symmetry_utils.cpp:517: warning: unused parameter 'dn'
modules/multifit/src/CnSymmAxisDetector.cpp:163: warning: unused parameter 'symm_vec'
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/multifit/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/examples/patchdock_multifit.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/examples/fast-test.results.out) > /dev/null
Run example patchdock_multifit.py ... --patchdock_binary is required
ok

----------------------------------------------------------------------
Ran 1 test in 0.875s

OK
multifit examples succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/multifit/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.multifit --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/test_add_surface_index.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/test_anchor_graph.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/test_connected_components.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/test_geometric_hash.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/test_mol_coarsening.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/test_radius_of_gyration_restraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/test_read_anchors_data.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/test_read_fitting_solutions.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/test_read_proteomics_data.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/test_read_settings.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/test_rigid_fitting_fft.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/test_rmsd_clustering.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/test_settings_data.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/test_surface_sample_protein.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/test_weighted_excluded_volume_restraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/test_weighted_excluded_volume_restraint_3.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/multifit_cpp_test_programs.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_multifit_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/fast-test.results.out) > /dev/null
Check that the surface indexes are added correctly ... ok
test_anchor_graph_formation (_test_2.AnchorGraphTest) ... ok
test_probability_calculation (_test_2.AnchorGraphTest) ... ok
test connected components ... in 1.454s ... ok
test_neighbors (_test_4.GeometricHashTest) ... in 1.933s ... ok
test_coarsening (_test_5.MolCoarseningTests) ... in 22.780s ... ok
test_density_coarsening (_test_5.MolCoarseningTests) ... in 24.469s ... ok
Test radius of gyration restraint ... ok
Check correct reading of proteomics file ... ok
Check correct parsing of fitting solutions file ... ok
Check the fitting solutions writer ... ok
Check correct reading of proteomics file ... ERROR
Check that the correct answer is returned when reading setting file ... ok
test fft based fitting ... ERROR
test fft based fitting ... ERROR
Testing proper clustering ... ERROR
test correct reading of settings data ... ok
Check that reading a map back in preserves the stdevs ... ok
Check that weighted excluded volume restraint works ... in 25.689s ... ok
Check that weighted excluded volume restraint 3 works ... FAIL
in 6.935s ... Running C++ test multifittest_geometric_complementarity ... in 14.779s ... ok
Running C++ test multifittest_get_candidate_transformations_match_1st_surface_to_2nd ... in 43.353s ... ok
Test that module class names follow the standards ... FAIL
Test that module function names follow the standards ... FAIL
Test all objects have show ... FAIL
Test that module classes are either values or objects ... FAIL

======================================================================
ERROR: Check correct reading of proteomics file
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/test_read_proteomics_data.py", line 18, in test_run
    self.prot_data = IMP.multifit.read_proteomics_data(self.data_file)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/multifit/__init__.py", line 2288, in read_proteomics_data
    return _IMP_multifit.read_proteomics_data(*args)
RuntimeError: bad lexical cast: source type value could not be interpreted as target

======================================================================
ERROR: test fft based fitting
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/test_rigid_fitting_fft.py", line 57, in test_fft_based_rigid_fitting
    IMP.algebra.get_uniform_cover_rotations_3d(10),1,False,False)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/multifit/__init__.py", line 1064, in fft_based_rigid_fitting
    return _IMP_multifit.fft_based_rigid_fitting(*args)
TypeError: fft_based_rigid_fitting() takes exactly 3 arguments (8 given)

======================================================================
ERROR: test fft based fitting
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/test_rigid_fitting_fft.py", line 96, in test_fft_based_rigid_fitting_translation_with_gmm
    [IMP.algebra.get_identity_rotation_3d()],10,False,True)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/multifit/__init__.py", line 1064, in fft_based_rigid_fitting
    return _IMP_multifit.fft_based_rigid_fitting(*args)
TypeError: fft_based_rigid_fitting() takes exactly 3 arguments (8 given)

======================================================================
ERROR: Testing proper clustering
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/test_rmsd_clustering.py", line 29, in test_clustering
    IMP.multifit.fitting_clustering(mh,ts,out_ts,3,100,30)
AttributeError: 'module' object has no attribute 'fitting_clustering'

======================================================================
FAIL: Check that weighted excluded volume restraint 3 works
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/test_weighted_excluded_volume_restraint_3.py", line 63, in test_weighted_excluded_volume_restraint
    self.assertEqual(evr.evaluate(False), 0)
AssertionError: 10.364778248479887 != 0

======================================================================
FAIL: Test that module class names follow the standards
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_multifit_standards.py", line 17, in test_classes
    spelling_exceptions)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/test/__init__.py", line 359, in assertClassNames
    % (str(bad)))
AssertionError: 3 != 0 : All IMP classes should be properly spelled. The following are not: ['MolCnSymmAxisDetector', 'MolCnSymmAxisDetector', 'ProteomicsData']. Add words to the spelling_exceptions variable of the IMPModuleTest if needed.

======================================================================
FAIL: Test that module function names follow the standards
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_multifit_standards.py", line 22, in test_functions
    spelling_exceptions)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/test/__init__.py", line 453, in assertFunctionNames
    message)
AssertionError: 109 != 0 : All IMP methods should have lower case names separated by underscores and beginning with a verb, preferably one of ['add', 'remove', 'get', 'set', 'create', 'destroy']. Each of the words should be a properly spelled english word. The following do not (given our limited list of verbs that we check for):
ComponentHeader.get_cmm_ap_fn
ComponentHeader.set_cmm_ap_fn
DensitySegmentationByCommunities.build_density_graph
DensitySegmentationByCommunities.calculate_communities
DensitySegmentationByCommunities.calculate_connected_components
DoubleVector.append
DoubleVector.assign
DoubleVector.back
DoubleVector.begin
DoubleVector.capacity
DoubleVector.empty
DoubleVector.end
DoubleVector.erase
DoubleVector.front
DoubleVector.insert
DoubleVector.iterator
DoubleVector.rbegin
DoubleVector.rend
DoubleVector.resize
DoubleVector.size
FFTFitting.fit
FFTFitting.fit_local_fitting
FittingSolutionRecord.get_rmsd_to_reference
FittingSolutionRecord.set_rmsd_to_reference
FittingSolutionRecords.append
FittingSolutionRecords.assign
FittingSolutionRecords.back
FittingSolutionRecords.begin
FittingSolutionRecords.capacity
FittingSolutionRecords.empty
FittingSolutionRecords.end
FittingSolutionRecords.erase
FittingSolutionRecords.front
FittingSolutionRecords.insert
FittingSolutionRecords.iterator
FittingSolutionRecords.rbegin
FittingSolutionRecords.rend
FittingSolutionRecords.resize
FittingSolutionRecords.size
GeometricHash2.Map
GeometricHash2.begin
GeometricHash2.bucket
GeometricHash2.end
GeometricHash2.neighbors
GeometricHash2.neighbors_data
GeometricHash2.resolution
GeometricHash3.Map
GeometricHash3.begin
GeometricHash3.bucket
GeometricHash3.end
GeometricHash3.neighbors
GeometricHash3.neighbors_data
GeometricHash3.resolution
GeometricHash4.Map
GeometricHash4.begin
GeometricHash4.bucket
GeometricHash4.end
GeometricHash4.neighbors
GeometricHash4.neighbors_data
GeometricHash4.resolution
GeometricHash5.Map
GeometricHash5.begin
GeometricHash5.bucket
GeometricHash5.end
GeometricHash5.neighbors
GeometricHash5.neighbors_data
GeometricHash5.resolution
IntVector.append
IntVector.assign
IntVector.back
IntVector.begin
IntVector.capacity
IntVector.empty
IntVector.end
IntVector.erase
IntVector.front
IntVector.insert
IntVector.iterator
IntVector.rbegin
IntVector.rend
IntVector.resize
IntVector.size
MolCnSymmAxisDetector.calc_symm_score
MolCnSymmAxisDetector.get_pca
MolCnSymmAxisDetector.init_from_protein
ProbabilisticAnchorGraph.are_probabilities_for_particle_set
ProteomicsData.add_ev_pair
ProteomicsData.add_xlink_interaction
ProteomicsData.get_ev_pair
ProteomicsData.get_interaction_linker_lenght
ProteomicsData.get_num_allowed_violated_ev
ProteomicsData.get_num_allowed_violated_xlinks
ProteomicsData.get_number_of_ev_pairs
ProteomicsData.get_number_of_xlinks
ProteomicsData.get_xlink
ProteomicsData.get_xlink_length
ProteomicsData.get_xlink_part_of_filter
ProteomicsData.set_num_allowed_violated_ev
ProteomicsData.set_num_allowed_violated_xlinks
SettingsData.get_asmb_fn
SettingsData.set_asmb_fn
SymmetricFit.set_patchdock_executable
SymmetricFit.set_patchdock_log_file
SymmetricFit.set_patchdock_log_level
SymmetricFit.set_prot_lib_file
SymmetricFit.set_protein_pdb_file
TransformationClustering.cluster_by_rmsd
TransformationClustering.cluster_by_rotation
TransformationClustering.cluster_by_transformation
If there is a good reason for them not to (eg it does start with a verb, just one with a meaning that is not covered by the normal list), add them to the function_name_exceptions variable in the IMPModuleTest call. Otherwise, please fix. The current verb list is ['add', 'remove', 'get', 'set', 'evaluate', 'show', 'create', 'destroy', 'push', 'pop', 'write', 'read', 'do', 'show', 'load', 'save', 'reset', 'clear', 'handle', 'update', 'apply', 'optimize', 'reserve', 'dump', 'propose', 'setup', 'teardown', 'visit', 'find', 'run', 'swap', 'link']
Misspelled words: cmm, ev, rmsd, lenght, prot, xlink, xlinks, asmb, pdb, pca, patchdock. Add words to the spelling_exceptions variable of the IMPModuleTest if needed.

======================================================================
FAIL: Test all objects have show
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_multifit_standards.py", line 26, in test_show
    return self.assertShow(IMP.multifit, exceptions)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/test/__init__.py", line 478, in assertShow
    message)
AssertionError: 15 != 0 : All IMP classes should support show and __str__. The following do not:
DensitySegmentationByCommunities
DoubleVector
FFTFitting
FFTFittingOutput
FFTScore
FittingSolutionRecords
GeometricHash2
GeometricHash3
GeometricHash4
GeometricHash5
IntVector
ProteinRecordData
RotScore
SymmetricFit
TransformationClustering
 If there is a good reason for them not to, add them to the show_exceptions variable in the IMPModuleTest call. Otherwise, please fix.

======================================================================
FAIL: Test that module classes are either values or objects
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_multifit_standards.py", line 12, in test_value_objects
    return self.assertValueObjects(IMP.multifit,exceptions)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/test/__init__.py", line 314, in assertValueObjects
    message)
AssertionError: 20 != 0 : All IMP classes should be labeled values or as objects to get memory management correct in python. The following are not:
['AnchorsData', 'DensitySegmentationByCommunities', 'DoubleVector', 'FFTFitting', 'FFTFittingOutput', 'FFTScore', 'FittingSolutionRecord', 'FittingSolutionRecords', 'GeometricHash2', 'GeometricHash3', 'GeometricHash4', 'GeometricHash5', 'IntVector', 'MolCnSymmAxisDetector', 'ProbabilisticAnchorGraph', 'ProteinRecordData', 'ProteomicsData', 'RotScore', 'SymmetricFit', 'TransformationClustering']
Please add an IMP_SWIG_OBJECT or IMP_SWIG_VALUE call to the python wrapper, or if the class has a good reason to be neither, add the name to the value_object_exceptions list in the IMPModuleTest call.

----------------------------------------------------------------------
Ran 26 tests in 145.084s

FAILED (failures=5, errors=4)
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
PRO
Atom CA of residue 3
ASP
Atom NH2 of residue 17
LEU
Atom N of residue 21
Atom N of residue 15
Atom CA of residue 122
Atom CG of residue 68
Atom CA of residue 24
Atom CD1 of residue 57
Atom N of residue 35
LEU
GLU
Atom CA of residue 8
Atom CA of residue 95
Atom CA of residue 57
Atom CE1 of residue 64
Atom CG of residue 21
Atom N of residue 121
SER
Atom CA of residue 2684
Atom CE of residue 23
SER
GLY
Atom CG of residue 48
Atom CD1 of residue 125
Atom CA of residue 100
Atom OG of residue 61
Atom OH of residue 91
ILE
ILE
Atom NZ of residue 48
LYS
THR
GLY
Atom CA of residue 74
Atom N of residue 132
Atom CA of residue 2651
Atom C of residue 97
ALA
Atom CA of residue 12
Atom NE of residue 149
Atom N of residue 82
PHE
Atom CA of residue 29
Atom CA of residue 157
Atom C of residue 115
Atom CA of residue 145
Atom CA of residue 78
Atom CA of residue 509
GLY
Atom O of residue 83
THR
Atom CA of residue 137
Atom CA of residue 81
Atom CA of residue 581
Atom CA of residue 67
Atom CG of residue 22
Atom C of residue 105
Atom CG2 of residue 27
LEU
Atom CE1 of residue 144
Atom CA of residue 104
Atom N of residue 39
VAL
Atom CG1 of residue 26
GLU
Atom CA of residue 76
Atom CG2 of residue 142
Atom N of residue 61
Atom N of residue 88
Atom CG of residue 144
Atom NZ of residue 154
Atom CB of residue 70
Atom CB of residue 89
Atom OE1 of residue 98
Atom CA of residue 90
Atom CA of residue 55
Atom CA of residue 2634
Atom CA of residue 573
GLU
Atom CA of residue 70
Atom N of residue 52
GLU
Atom CG of residue 128
Atom N of residue 120
GLU
Atom CE of residue 153
Atom CA of residue 446
SER
ALA
ALA
Atom CE of residue 37
LEU
Atom CA of residue 538
Atom C of residue 134
Atom C of residue 51
Atom C of residue 150
Atom CA of residue 85
Atom CA of residue 510
GLU
Atom C of residue 126
Atom CB of residue 64
PRO
Atom CA of residue 67
Atom C of residue 157
ASP
GLU
CYS
Atom CG of residue 84
Atom CA of residue 569
Atom CA of residue 83
Atom CB of residue 49
Atom CA of residue 22
Atom CA of residue 52
TYR
GLY
Atom C of residue 137
Atom CA of residue 504
Atom OG1 of residue 35
Atom CB of residue 60
Atom CA of residue 503
Atom CA of residue 144
Atom N of residue 40
Atom CA of residue 114
THR
Atom C of residue 24
Atom CG1 of residue 92
Atom CA of residue 58
Atom OE1 of residue 29
LYS
Atom CE of residue 153
Atom N of residue 3
Atom NZ of residue 23
Atom N of residue 58
Atom CD of residue 48
Atom CA of residue 141
Atom CB of residue 69
GLU
Atom CA of residue 104
LEU
Atom C of residue 43
Atom N of residue 92
TYR
GLY
Atom CB of residue 27
Atom C of residue 127
Atom CD1 of residue 27
Atom CA of residue 56
ILE
Atom CA of residue 101
Atom CG of residue 55
CYS
Atom CA of residue 126
GLU
Atom CD of residue 21
Atom CA of residue 57
PRO
Atom CA of residue 34
Atom CB of residue 83
Atom CD1 of residue 155
Atom OG1 of residue 41
ILE
Atom CG of residue 75
Atom CA of residue 434
ASN
TRP
normalize rigid bodies
Atom C of residue 44
Atom CA of residue 451
Atom CA of residue 16
GLU
Atom CD1 of residue 68
Atom CA of residue 82
ALA
Atom CD1 of residue 58
THR
Atom CA of residue 11
Atom CA of residue 139
SER
LEU
Atom CE2 of residue 64
Atom CA of residue 153
LEU
Atom CA of residue 50
Atom CE3 of residue 103
ILE
Atom CB of residue 6
TRP
LEU
LEU
Atom CA of residue 2680
Atom C of residue 100
ILE
ASP
Atom CB of residue 122
Atom CG of residue 81
Atom CG2 of residue 25
PRO
GLU
Atom OG1 of residue 108
Atom CG of residue 61
Atom NZ of residue 153
Atom CD of residue 84
Atom CA of residue 153
Atom CA of residue 72
Atom OE2 of residue 98
ILE
ILE
Atom CA of residue 8
Atom CB of residue 10
Atom N of residue 126
ALA
Atom CG of residue 78
Atom CD1 of residue 24
Atom CZ of residue 51
Atom CA of residue 79
Atom CA of residue 115
Atom O of residue 127
Atom N of residue 49
ALA
CYS
Atom O of residue 12
ASP
Atom CG2 of residue 26
Atom CA of residue 150
Atom CA of residue 112
Atom CA of residue 95
Atom CZ of residue 149
GLY
Atom CE2 of residue 87
Atom CD1 of residue 144
Atom OG of residue 70
Atom O of residue 115
Atom CA of residue 515
ILE
Atom C of residue 37
Atom C of residue 55
Atom CA of residue 9
Atom CA of residue 138
Atom CA of residue 99
VAL
Atom C of residue 118
Atom CA of residue 97
Chain C
LYS
Atom O of residue 104
Atom CA of residue 544
Atom O of residue 24
Atom CG of residue 114
Atom OE1 of residue 130
Atom CA of residue 73
Atom CD2 of residue 43
Atom N of residue 143
Atom CA of residue 144
LEU
Atom CD1 of residue 64
Atom CA of residue 582
Atom N of residue 24
PRO
ILE
Atom CA of residue 4
Atom CE of residue 48
Atom CA of residue 75
Atom CG2 of residue 35
Atom C of residue 85
Atom CA of residue 84
PRO
Atom O of residue 77
Atom CA of residue 73
Atom CD of residue 61
LEU
Atom CA of residue 5
Atom CA of residue 494
Atom NZ of residue 37
ALA
HIS
Atom CA of residue 117
Atom CA of residue 62
Atom CB of residue 60
Atom CA of residue 539
Atom CA of residue 146
Atom O of residue 51
Atom CD of residue 78
SER
Atom N of residue 20
Atom CA of residue 2637
Atom N of residue 21
VAL
THR
Atom CA of residue 575
Atom O of residue 44
ASN
GLU
TYR
MET
Atom CD of residue 55
LEU
Atom CA of residue 39
VAL
LEU
PRO
Atom CA of residue 2676
PHE
ARG
LEU
PRO
Atom CA of residue 47
ARG
Atom CG of residue 69
ARG
CYS
Atom O of residue 100
Atom OE1 of residue 145
Atom CG1 of residue 27
SER
Atom CA of residue 89
LYS
HIS
ILE
Atom CA of residue 485
Atom CA of residue 111
Atom OE2 of residue 42
GLN
Atom NE2 of residue 29
Atom NZ of residue 153
VAL
PRO
GLN
Atom CZ2 of residue 103
Atom OD1 of residue 73
Atom CE of residue 48
Atom CA of residue 60
Atom OH of residue 51
Atom CG2 of residue 41
GLN
Atom CD1 of residue 81
Atom CG2 of residue 108
Atom CA of residue 32
LYS
Atom N of residue 28
Atom ND2 of residue 40
Atom CG2 of residue 27
PRO
Atom N of residue 16
Atom CA of residue 52
Atom CD of residue 21
Atom CG1 of residue 86
SER
Atom O of residue 12
NormalizeRotation3
LYS
Atom C of residue 63
Atom O of residue 78
P2117
GLY
Atom CA of residue 560
Atom CA of residue 14
Atom CG of residue 83
Atom CA of residue 53
Atom CA of residue 65
LYS
Atom CA of residue 146
Atom CA of residue 485
Atom CA of residue 44
Atom CD2 of residue 58
Atom CG2 of residue 108
ALA
GLU
ARG
Atom NE2 of residue 130
Atom N of residue 92
PHE
LYS
LEU
Atom N of residue 97
Atom CA of residue 7
Atom CA of residue 2635
Atom CD1 of residue 144
GLY
ALA
Atom C of residue 79
ASP
HIS
Atom N of residue 26
Atom CA of residue 58
Atom CA of residue 2685
Atom CA of residue 28
LYS
Atom O of residue 75
Atom CB of residue 104
Atom O of residue 35
Atom CA of residue 545
Atom CA of residue 33
Atom CD1 of residue 114
Atom O of residue 35
Atom OE1 of residue 84
Atom OE1 of residue 151
VAL
ASP
Atom CA of residue 46
ILE
Atom CA of residue 105
ARG
PHE
Atom N of residue 122
Atom CA of residue 63
Atom CA of residue 79
Atom CG of residue 60
Atom CA of residue 106
Atom CD2 of residue 24
Atom NZ of residue 48
CYS
Atom CA of residue 435
SER
Atom CA of residue 141
Atom O of residue 94
Atom CG of residue 60
Atom CA of residue 21
LEU
Atom CB of residue 77
Atom N of residue 43
ALA
Atom CA of residue 582
Atom CA of residue 5
GLY
Atom CA of residue 77
Atom CE1 of residue 43
Atom OE1 of residue 111
TYR
Atom CA of residue 65
GLN
ASN
Atom O of residue 37
Atom CA of residue 84
Atom CA of residue 91
ALA
Atom CA of residue 49
Atom CA of residue 96
Atom CG2 of residue 86
Atom CA of residue 112
ASP
GLY
LEU
Atom CA of residue 82
GLY
Atom O of residue 62
Atom CD2 of residue 64
Atom O of residue 48
Atom CB of residue 86
NormalizeRotation1
P2118
Atom CA of residue 2652
Atom C of residue 117
GLU
Atom CA of residue 153
GLU
Atom CA of residue 34
Atom SD of residue 39
Atom C of residue 12
PHE
Atom O of residue 146
Atom CA of residue 44
Atom CB of residue 5
MET
GLY
VAL
Atom CD of residue 141
Atom CA of residue 126
ASP
Atom CA of residue 23
Atom CA of residue 71
GLY
Atom CA of residue 123
PRO
Atom CA of residue 44
Atom CA of residue 147
Atom OE1 of residue 78
Atom CA of residue 38
Atom CD2 of residue 144
Atom N of residue 58
NullModifier3
Atom C of residue 89
Atom N of residue 7
THR
Atom O of residue 110
Atom N of residue 22
LEU
THR
Atom N of residue 133
Atom CA of residue 2
Atom CA of residue 505
Atom CA of residue 145
Atom CB of residue 78
Atom O of residue 148
Atom C of residue 60
Atom O of residue 67
Atom O of residue 79
Atom CA of residue 574
ASP
Atom CD of residue 11
Atom CG of residue 130
Atom CA of residue 57
CYS
Atom N of residue 28
Atom CB of residue 7
Atom CA of residue 2691
Atom CA of residue 105
Atom CA of residue 124
Atom N of residue 81
Atom CA of residue 154
PRO
Atom CA of residue 87
Atom CA of residue 102
Atom CG2 of residue 92
Atom C of residue 63
Atom OD2 of residue 73
ALA
Atom C of residue 53
GLY
Atom C of residue 125
VAL
Atom C of residue 90
Atom CA of residue 76
Atom N of residue 109
Atom CD of residue 122
Atom C of residue 141
Atom CB of residue 48
Atom CA of residue 71
Atom O of residue 38
LYS
Atom CB of residue 146
Atom CD2 of residue 53
Atom C of residue 90
Atom CA of residue 92
Atom CD of residue 33
Atom CA of residue 12
Atom CA of residue 495
Atom O of residue 63
Atom CA of residue 452
Atom CA of residue 37
Atom CA of residue 51
Atom O of residue 64
PRO
Atom CH2 of residue 103
TYR
ASP
PHE
Atom OD1 of residue 60
SER
ASN
Atom CA of residue 2638
Atom CB of residue 75
Atom NE of residue 8
Atom CA of residue 540
LEU
PRO
Atom CA of residue 2681
Atom N of residue 131
LYS
Atom CA of residue 145
Atom CB of residue 62
ILE
Atom CB of residue 48
Atom CA of residue 504
PRO
LEU
GLY
Atom O of residue 57
THR
GLY
Atom NE of residue 61
Atom CG of residue 46
Atom CD1 of residue 60
ILE
Atom N of residue 88
Atom CG of residue 67
Atom CB of residue 26
Atom CA of residue 80
PHE
TYR
Atom CA of residue 59
Atom CB of residue 35
Atom CG of residue 66
LYS
Atom CA of residue 113
Atom CA of residue 96
GLN
Atom CD1 of residue 36
GLU
GLN
Atom NE2 of residue 151
Atom CA of residue 134
Atom CE of residue 78
PRO
Atom CA of residue 59
PRO
Atom CG of residue 151
GLU
ALA
Atom CA of residue 100
Atom CA of residue 62
ILE
Atom CA of residue 116
SER
PRO
Atom CA of residue 65
Atom CG of residue 146
Atom CA of residue 512
TYR
Atom C of residue 112
Atom CA of residue 140
Atom NH1 of residue 149
CYS
Atom CA of residue 74
Atom CA of residue 581
Atom CA of residue 64
Atom OE1 of residue 92
TYR
Atom NE2 of residue 111
Atom N of residue 85
Atom CG1 of residue 86
Atom N of residue 38
GLN
LYS
Atom N of residue 145
Atom CB of residue 148
Atom O of residue 62
Atom C of residue 153
Atom O of residue 84
Atom CZ of residue 82
LEU
Atom CA of residue 16
SER
Atom CB of residue 73
Atom CA of residue 154
Atom CG1 of residue 90
ASP
Atom C of residue 69
GLU
GLY
Atom N of residue 87
Atom CA of residue 127
MET
Atom CA of residue 74
Atom CA of residue 41
Atom CA of residue 120
Atom C of residue 154
Atom CA of residue 6
Atom CA of residue 20
LEU
ALA
Atom CB of residue 64
GLU
Atom CA of residue 548
Atom CA of residue 52
Atom CB of residue 83
Atom CB of residue 67
Atom CA of residue 6
Atom CA of residue 445
Atom CD of residue 130
Atom CA of residue 76
Atom CD of residue 149
Atom O of residue 82
Atom CA of residue 40
ALA
Atom O of residue 90
Atom NE of residue 141
Atom CG of residue 62
TYR
LYS
GLU
Atom O of residue 63
Atom CA of residue 70
Atom CA of residue 43
Atom CA of residue 32
PHE
Atom CE1 of residue 144
Atom O of residue 71
Atom O of residue 141
SER
Atom CD of residue 146
ASP
Atom CB of residue 110
Atom O of residue 23
LYS
Atom CG of residue 16
PRO
Atom CA of residue 106
ASN
LEU
VAL
ASP
Atom N of residue 75
Atom CZ of residue 61
Atom CD of residue 46
ASP
Atom CA of residue 486
ALA
Atom CG of residue 48
Atom CA of residue 36
Atom OE1 of residue 49
Atom CA of residue 31
Atom CA of residue 516
Atom NE1 of residue 53
LeavesRefiner1
Atom CA of residue 112
Atom CG of residue 19
LEU
Atom CG of residue 74
Atom C of residue 92
Atom CA of residue 132
GLU
Atom CA of residue 63
LYS
Atom N of residue 93
LEU
Atom C of residue 34
Atom CB of residue 57
Atom CB of residue 46
Atom CA of residue 546
Atom CA of residue 15
Atom CD of residue 151
Atom CD of residue 67
Atom CD of residue 143
Atom O of residue 125
Atom CA of residue 72
Atom C of residue 120
VAL
Atom N of residue 83
Atom CA of residue 144
VAL
Atom N of residue 124
PRO
Atom CA of residue 583
LEU
Atom CA of residue 87
Atom CZ of residue 8
Atom OD1 of residue 40
GLN
CAlphaPDBSelector2
GLN
Atom OE1 of residue 33
Atom CA of residue 127
PRO
Atom SD of residue 62
Atom N of residue 79
SER
Atom CG of residue 59
Atom CA of residue 128
Atom CA of residue 124
Atom N of residue 104
Atom CA of residue 50
Atom CG1 of residue 148
CAlphaPDBSelector1
Atom CA of residue 51
Atom N of residue 27
VAL
GLN
Atom CA of residue 2675
Atom CB of residue 8
Atom CB of residue 38
Atom CE of residue 146
Atom C of residue 96
Atom N of residue 144
Atom O of residue 69
Atom N of residue 24
Atom CA of residue 541
Atom OD1 of residue 66
Atom N of residue 92
Atom CA of residue 84
Atom CG1 of residue 112
Atom CA of residue 38
Atom CA of residue 582
Atom N of residue 128
THR
Atom CA of residue 71
Atom CA of residue 576
Atom CA of residue 106
Atom N of residue 49
Atom CA of residue 80
AccumulateRigidBodyDerivatives9
Atom CD1 of residue 107
Atom CB of residue 62
Atom CA of residue 58
ASP
Atom CA of residue 436
Atom CG of residue 98
Atom C of residue 65
Atom NE of residue 149
Atom CA of residue 2671
Atom CA of residue 48
ASN
Atom CA of residue 147
Atom CD2 of residue 22
Atom CD2 of residue 36
Atom CA of residue 78
ASP
GLU
Atom CB of residue 79
Atom CA of residue 13
Atom CA of residue 135
LEU
Atom NZ of residue 78
Atom CA of residue 92
Atom CA of residue 583
Atom CA of residue 101
SER
Atom CG of residue 73
LYS
Atom CA of residue 46
Atom CA of residue 85
UpdateRigidBodyMembers3
THR
Atom CA of residue 72
Atom NH2 of residue 149
Atom CA of residue 439
LYS
Atom CD of residue 14
Atom CA of residue 68
Atom O of residue 89
Atom CA of residue 66
Atom CA of residue 147
Atom CA of residue 75
GLN
VAL
Atom NH2 of residue 61
Atom N of residue 84
Atom CA of residue 83
Atom CA of residue 20
Atom CG of residue 20
GLU
Atom CA of residue 17
Atom CG of residue 8
Atom CA of residue 100
Atom OH of residue 144
PRO
Atom NZ of residue 146
LEU
Atom CA of residue 72
VAL
Atom CA of residue 561
GLU
GLN
Atom CA of residue 130
Atom CD of residue 59
Atom CA of residue 30
Atom CA of residue 24
HIS
Atom CG of residue 64
Atom CA of residue 484
ASP
Atom C of residue 32
ALA
ASP
Atom CB of residue 125
Atom O of residue 47
Atom O of residue 120
THR
Atom C of residue 69
Atom CB of residue 82
Atom CA of residue 79
Atom CG2 of residue 112
SER
Atom CD of residue 74
Atom CA of residue 97
Atom CA of residue 59
THR
Atom O of residue 116
Atom CA of residue 2686
Atom O of residue 56
VAL
ILE
VAL
Atom N of residue 50
Atom N of residue 70
Atom CB of residue 71
Atom NH2 of residue 8
ILE
Atom CA of residue 58
Atom CA of residue 29
Atom O of residue 96
LYS
LEU
Atom CG of residue 14
Atom OD1 of residue 19
THR
Atom O of residue 97
ALA
Atom CA of residue 6
Atom C of residue 63
GLU
Atom NH1 of residue 61
Atom N of residue 47
Atom CA of residue 547
python stream rigid body positions
Atom C of residue 72
Atom CA of residue 146
GLU
Atom C of residue 144
GLY
Atom OE2 of residue 49
Atom CA of residue 88
Atom CZ of residue 51
Atom O of residue 105
LYS
Atom CA of residue 130
Atom O of residue 126
Atom OE1 of residue 122
Atom CA of residue 133
Atom CA of residue 77
Atom CA of residue 58
PRO
LYS
P2121
Atom CA of residue 52
Atom O of residue 34
Atom CG of residue 46
Atom OE1 of residue 151
GLY
Atom C of residue 96
Atom OD1 of residue 31
Atom OE1 of residue 143
Atom CA of residue 433
Atom CG1 of residue 107
HIS
Atom CA of residue 496
Atom CD of residue 98
ASN
Atom ND2 of residue 40
Atom CG of residue 97
Atom CG of residue 79
MET
Atom CE of residue 62
Atom CA of residue 70
ALA
VAL
Atom CA of residue 2692
LEU
Atom CZ3 of residue 16
Atom CA of residue 128
LEU
PHE
GLY
Atom CA of residue 81
Atom CA of residue 506
THR
Atom N of residue 84
Atom CA of residue 505
Atom O of residue 145
TYR
Atom CA of residue 33
Atom CB of residue 12
GLU
Model 18
LEU
VAL
Atom CA of residue 114
TYR
ILE
Atom CA of residue 2630
PRO
Atom CB of residue 150
LYS
Atom C of residue 109
Atom OG1 of residue 35
Atom O of residue 114
GLN
ALA
VAL
THR
Atom O of residue 90
Atom CA of residue 66
Atom N of residue 108
Atom CB of residue 64
THR
Atom CA of residue 101
ASP
Atom CA of residue 88
Atom C of residue 88
Atom CA of residue 146
Atom CA of residue 517
Atom CZ of residue 149
Atom N of residue 38
ASN
Atom CA of residue 51
ASN
Atom CB of residue 147
Atom CD of residue 118
PRO
Atom CA of residue 55
Atom CG of residue 48
ALA
Atom C of residue 79
Atom CE1 of residue 22
Atom CA of residue 7
SER
PHE
LEU
ARG
Atom OD2 of residue 102
LYS
Atom CA of residue 136
ARG
GLY
Atom CG of residue 41
GLU
Atom CA of residue 67
Atom C of residue 75
Atom CA of residue 106
HIS
SER
Atom CD1 of residue 9
Atom CA of residue 117
Atom CA of residue 584
Atom CB of residue 58
Atom CA of residue 103
Atom CB of residue 119
SER
Atom CE of residue 14
Atom C of residue 130
Atom O of residue 38
SER
SER
PRO
LYS
Atom CG1 of residue 125
Atom CA of residue 2682
Atom CB of residue 92
Atom CA of residue 38
Atom CA of residue 66
Atom CA of residue 41
Atom CA of residue 74
Atom CD1 of residue 97
Atom CG2 of residue 71
Atom CA of residue 76
GLN
Atom CG of residue 140
Atom CA of residue 542
Atom C of residue 34
Atom CA of residue 69
Atom CB of residue 47
Atom CB of residue 94
ASP
PRO
ILE
Atom CE1 of residue 83
THR
Atom CG of residue 132
Atom OH of residue 51
Atom O of residue 69
Atom CB of residue 105
Atom CA of residue 49
Model 28
Atom CA of residue 18
Atom CD1 of residue 112
Atom N of residue 76
Atom CE3 of residue 16
Atom CB of residue 27
Atom CA of residue 38
Atom CB of residue 116
Atom CA of residue 78
Atom O of residue 56
Atom CB of residue 72
Atom N of residue 151
Atom CA of residue 2
Atom CG2 of residue 35
Atom N of residue 57
Atom CA of residue 120
ARG
Atom NZ of residue 30
Atom N of residue 134
Atom CG2 of residue 107
ALA
Atom C of residue 64
Atom CA of residue 2
Atom CA of residue 37
Atom CA of residue 94
Atom CA of residue 454
MET
Atom CA of residue 44
Atom CA of residue 135
Atom CA of residue 141
Atom N of residue 6
PHE
Atom O of residue 109
VAL
Atom CA of residue 49
ILE
AccumulateRigidBodyDerivatives11
Atom CA of residue 149
TRP
Atom CA of residue 33
KClosePairsPairScore 0
LEU
Atom CA of residue 45
PRO
Atom CB of residue 145
LYS
GLY
VAL
Atom OD1 of residue 74
Atom N of residue 79
Atom CA of residue 117
Atom CB of residue 48
Atom OE1 of residue 118
Atom CB of residue 126
Atom CA of residue 113
Atom CA of residue 58
Atom OE2 of residue 122
Atom CG of residue 24
GLY
Atom CA of residue 10
Atom CA of residue 53
Atom CA of residue 71
GLN
Atom CD of residue 79
Atom O of residue 66
Atom N of residue 11
Atom CA of residue 94
Atom OG of residue 50
Atom N of residue 88
Atom CA of residue 21
GLY
Atom C of residue 67
Atom CA of residue 472
PRO
LEU
Atom CA of residue 143
ALA
Atom CG of residue 151
VAL
ILE
LEU
Atom CA of residue 128
SER
VAL
SER
Atom CG of residue 58
TRP
Atom CA of residue 549
Atom CG of residue 119
Atom CA of residue 125
Atom N of residue 72
Atom CD of residue 48
Atom CA of residue 440
LEU
LYS
SER
Atom CA of residue 99
Atom CA of residue 60
Atom CA of residue 2687
Atom CA of residue 81
Atom CG of residue 147
Atom CA of residue 454
GLU
ARG
Atom C of residue 66
Atom O of residue 85
Atom N of residue 7
Atom CG of residue 64
Atom CA of residue 50
Atom CA of residue 583
Atom CG of residue 92
ILE
Atom NE2 of residue 83
Atom C of residue 74
Atom CA of residue 51
THR
Model 27
Atom CA of residue 79
Atom CD1 of residue 71
GLY
Chain A
LEU
Atom N of residue 57
Atom CA of residue 75
Atom CD1 of residue 41
Atom CA of residue 93
Atom CA of residue 2672
Atom C of residue 61
Atom CB of residue 114
Atom CD2 of residue 114
Atom O of residue 147
Atom CA of residue 148
Atom C of residue 86
Atom NE2 of residue 11
LYS
Atom CZ of residue 68
Atom CG of residue 145
Atom C of residue 113
Atom CB of residue 103
Atom CA of residue 487
Atom O of residue 26
GLY
Atom N of residue 39
Atom N of residue 103
ProbabilisticAnchorGraph0
Atom N of residue 133
ASP
Atom CB of residue 127
Atom CG1 of residue 148
LYS
Atom CA of residue 3
THR
Atom CA of residue 74
Atom CA of residue 30
Atom CD of residue 132
Atom CG2 of residue 51
PHE
Atom CA of residue 548
LYS
Atom CA of residue 69
Atom CA of residue 84
SER
LYS
Atom CA of residue 575
Atom CG1 of residue 27
Atom SD of residue 40
Atom CB of residue 38
Atom OD1 of residue 140
LEU
Atom CA of residue 31
Chain A
LEU
Atom CA of residue 13
Atom OD1 of residue 31
TYR
PRO
MET
Atom CG of residue 48
Atom CD2 of residue 97
Atom CB of residue 83
GLN
Atom CD1 of residue 24
Atom CA of residue 6
Atom O of residue 84
Atom CA of residue 115
Atom CA of residue 69
Atom CB of residue 66
ALA
Atom CA of residue 14
LEU
Atom CA of residue 78
GLN
Atom CG of residue 86
Atom CA of residue 73
Atom CA of residue 543
Atom CG of residue 80
Atom OD2 of residue 30
ILE
Atom CB of residue 15
Atom CA of residue 4
SER
Atom CA of residue 23
PRO
Atom CA of residue 59
SER
GLU
ASP
Atom C of residue 44
Atom CG of residue 79
Atom C of residue 55
Atom C of residue 87
Atom CA of residue 2
Atom CA of residue 25
ARG
Atom CD1 of residue 34
Atom N of residue 51
Atom NZ of residue 101
Atom CA of residue 107
NormalizeRotation0
Atom N of residue 36
Atom O of residue 67
ARG
HIS
Atom CA of residue 107
Atom CG of residue 127
Atom CD of residue 151
Atom CA of residue 121
Atom O of residue 64
Atom CA of residue 34
ALA
Atom CA of residue 104
Atom O of residue 76
GLN
Atom CA of residue 441
Atom CA of residue 98
Atom CA of residue 136
Atom CA of residue 584
Atom C of residue 54
Atom CD of residue 52
GLN
Atom C of residue 94
Atom CG of residue 73
Atom CA of residue 53
Atom CA of residue 86
ALA
Atom O of residue 61
Atom N of residue 115
LYS
PRO
GLU
ILE
PHE
Atom CG of residue 102
Atom ND1 of residue 83
Atom CA of residue 48
Atom CA of residue 89
Atom OH of residue 68
PHE
Atom CD1 of residue 58
Atom CA of residue 147
Atom CA of residue 51
Atom CA of residue 38
Atom ND2 of residue 74
Atom N of residue 113
PHE
Atom C of residue 26
Atom OE2 of residue 118
ARG
Atom N of residue 110
Atom CA of residue 35
Atom CA of residue 97
Atom CE of residue 40
GLU
Atom CA of residue 69
ALA
Atom CA of residue 80
Atom CA of residue 74
ILE
MET
SER
Atom CA of residue 563
Atom N of residue 105
Atom CG2 of residue 148
Atom CE of residue 76
THR
Atom CD of residue 92
Atom CA of residue 82
ARG
Atom CA of residue 13
Atom CG of residue 105
Atom CG of residue 20
Atom CA of residue 133
Atom CG of residue 140
LYS
Atom O of residue 9
SER
CYS
ALA
Atom CA of residue 115
GLY
Atom CA of residue 507
Atom CA of residue 114
Atom N of residue 98
VAL
GLU
AccumulateRigidBodyDerivatives3
VAL
Atom CB of residue 85
Atom CA of residue 102
Atom OD1 of residue 37
LYS
Atom NE of residue 147
Atom N of residue 84
Atom CA of residue 37
LYS
Atom CG1 of residue 87
Atom CB of residue 76
Atom CG of residue 103
Atom CA of residue 549
SER
Atom CD2 of residue 24
ILE
ALA
LYS
Atom CA of residue 147
LEU
Atom OD2 of residue 73
Atom CA of residue 585
Atom CA of residue 518
PRO
Atom CD2 of residue 66
Atom CZ2 of residue 16
Atom CZ of residue 64
Atom CG of residue 110
Atom CA of residue 5
Atom O of residue 86
Atom CA of residue 576
Atom CA of residue 78
LEU
Atom CD of residue 77
Atom O of residue 113
LYS
Atom CA of residue 2693
Atom N of residue 49
Atom CB of residue 26
Atom O of residue 55
PRO
Atom CA of residue 90
LYS
GLY
Atom CA of residue 497
VAL
Atom CG of residue 66
SER
Atom CB of residue 93
Atom N of residue 35
Atom CA of residue 73
ILE
GLY
P2119
Atom OD1 of residue 86
Atom CA of residue 434
Atom C of residue 57
Atom CD of residue 80
1z5s_A.pdb
TYR
Atom NZ of residue 76
Atom CA of residue 10
Atom CA of residue 584
Atom CA of residue 74
Atom CA of residue 131
Atom CA of residue 118
Atom CD of residue 99
ALA
Atom N of residue 52
Atom OD1 of residue 140
GLY
Atom CA of residue 550
Atom CA of residue 129
Atom CA of residue 42
Atom CD of residue 48
Atom CG of residue 83
Atom CD of residue 79
Atom C of residue 30
Atom CE1 of residue 43
Atom CA of residue 2683
LEU
Atom CE of residue 40
Atom CA of residue 40
Atom CA of residue 142
Atom O of residue 54
Atom CB of residue 117
AccumulateRigidBodyDerivatives4
ALA
VAL
Atom CA of residue 67
Atom CA of residue 70
Atom CD2 of residue 83
Atom CA of residue 56
GLU
GLY
PRO
ASP
Atom N of residue 77
Atom CB of residue 84
TRP
PRO
Atom CA of residue 15
Atom CA of residue 506
Atom N of residue 102
Atom CA of residue 50
ILE
Atom N of residue 31
Atom O of residue 150
Atom CA of residue 75
Atom CA of residue 10
Atom CA of residue 441
Atom N of residue 149
Atom CD of residue 105
Atom CA of residue 38
Atom CA of residue 5
Atom CA of residue 149
LEU
Atom CA of residue 79
ASN
Atom C of residue 109
Atom CA of residue 488
PRO
Atom O of residue 87
Atom CA of residue 8
Atom CB of residue 42
PRO
Atom OD1 of residue 66
Atom O of residue 44
Atom C of residue 114
LYS
Atom CD2 of residue 6
Atom CA of residue 14
Atom CE of residue 101
Atom CG of residue 14
ILE
Atom CA of residue 455
PRO
Atom CD of residue 110
Atom NH1 of residue 141
Atom OD1 of residue 102
Atom CA of residue 75
Atom CB of residue 65
Atom OE1 of residue 78
TYR
Atom CA of residue 64
Atom CA of residue 40
Atom CG2 of residue 87
Atom CA of residue 54
Atom CA of residue 38
Atom CA of residue 82
Atom N of residue 25
LYS
LYS
Atom CA of residue 462
Atom N of residue 53
PRO
TYR
Atom OG1 of residue 91
GLY
ILE
Atom CA of residue 17
Atom CA of residue 112
Atom N of residue 38
Atom CA of residue 24
SER
Atom CG of residue 76
LEU
Atom O of residue 26
ILE
Atom CA of residue 114
Atom N of residue 83
Atom NE2 of residue 43
Atom CA of residue 24
Atom O of residue 92
Atom N of residue 41
ASP
Atom CA of residue 70
PHE
Atom CA of residue 61
GLU
ARG
Atom CA of residue 453
Atom CA of residue 82
Atom CB of residue 44
Atom N of residue 65
Atom OH of residue 21
Atom CA of residue 61
MET
TYR
Atom C of residue 37
Atom OE1 of residue 99
Atom CA of residue 134
Atom C of residue 149
Atom CB of residue 121
Atom CA of residue 544
Atom CA of residue 150
Atom CB of residue 15
Atom O of residue 30
Atom CE1 of residue 82
Atom CG of residue 28
Atom CA of residue 80
Atom C of residue 40
Atom C of residue 78
Atom CA of residue 37
Atom OG1 of residue 42
ARG
CYS
LEU
1z5s_A.pdb rigid body positions
Atom N of residue 74
TYR
Atom CA of residue 31
Atom CA of residue 39
Atom CA of residue 94
Atom N of residue 55
Atom CA of residue 52
ARG
Atom CD1 of residue 109
Atom ND2 of residue 37
ALA
LYS
Atom C of residue 56
Atom CG of residue 43
Atom O of residue 72
GLU
LeavesRefiner0
Atom CD2 of residue 20
Atom CA of residue 473
ALA
ALA
Atom CA of residue 585
THR
Atom CA of residue 46
GLU
Atom SG of residue 93
SER
ARG
Atom C of residue 56
VAL
Atom CA of residue 87
Atom CE1 of residue 66
Atom CA of residue 73
MET
ARG
LYS
Atom CA of residue 140
Atom C of residue 74
Atom N of residue 78
Atom CA of residue 9
P2120
MET
Atom N of residue 80
Atom N of residue 23
LYS
LEU
Atom CA of residue 142
Atom N of residue 90
GLU
LYS
PRO
HIS
Atom CA of residue 108
Atom CA of residue 34
Atom CA of residue 32
Atom CD of residue 14
GLU
Atom O of residue 57
Atom N of residue 30
Atom CA of residue 126
Atom CB of residue 71
Atom CB of residue 150
Atom CB of residue 52
ASN
TYR
Atom ND2 of residue 140
Atom CB of residue 83
HIS
Atom CD1 of residue 47
Atom OG of residue 32
Atom CA of residue 39
Atom CB of residue 55
Atom N of residue 41
GLN
LEU
AccumulateRigidBodyDerivatives8
Atom O of residue 90
Atom C of residue 95
PRO
Atom N of residue 71
LEU
Atom CA of residue 60
GLY
Atom CA of residue 6
GLY
LEU
ILE
Atom CZ2 of residue 16
Atom CZ of residue 64
Atom CA of residue 81
Atom OE2 of residue 118
SER
GLU
Atom CE1 of residue 24
Atom CG of residue 30
TYR
Atom CB of residue 74
Atom CA of residue 12
Atom CG of residue 65
Atom CA of residue 66
VAL
Atom N of residue 106
Atom CB of residue 57
ARG
Atom CA of residue 2689
VAL
Atom CA of residue 2673
Atom CA of residue 90
Atom O of residue 109
Atom CE2 of residue 82
Atom O of residue 107
Atom CA of residue 108
Atom CA of residue 10
Atom O of residue 78
Atom CA of residue 486
ASP
Atom CA of residue 73
Atom CA of residue 93
Atom OD2 of residue 66
ASN
Atom CA of residue 105
Atom NZ of residue 101
Atom CA of residue 94
Atom CA of residue 54
Atom CG2 of residue 91
Atom CE of residue 110
Atom NH2 of residue 141
Atom N of residue 110
Atom OE2 of residue 78
HIS
Atom CA of residue 5
LEU
Atom N of residue 122
THR
Atom N of residue 88
VAL
Atom N of residue 84
PHE
Atom CD2 of residue 47
Atom N of residue 91
LYS
ARG
Atom CE of residue 36
Atom CA of residue 36
Atom CB of residue 44
Atom CA of residue 11
LEU
Atom CA of residue 75
Atom O of residue 56
Chain A
MET
Atom CA of residue 435
Atom CB of residue 17
GLU
GLN
Atom CA of residue 550
Atom CG of residue 44
MET
PRO
GLY
Atom CA of residue 131
LEU
ASN
THR
ARG
ASN
Atom CA of residue 113
Atom C of residue 10
Atom O of residue 74
Atom CA of residue 433
Atom CA of residue 79
Atom N of residue 27
Atom CD of residue 157
Atom O of residue 149
Atom O of residue 157
Atom CA of residue 36
Atom N of residue 111
LYS
ALA
VAL
Atom CD of residue 117
Atom N of residue 44
Atom CA of residue 116
Atom CD of residue 28
VAL
Atom CA of residue 585
Atom CG1 of residue 4
Atom CG2 of residue 42
Atom CA of residue 90
Atom N of residue 80
Atom CA of residue 507
Atom CA of residue 148
Atom N of residue 142
Atom O of residue 48
VAL
Atom CG of residue 147
CYS
ASP
Atom CA of residue 103
ILE
Atom N of residue 47
Atom CA of residue 531
Atom O of residue 41
Atom ND1 of residue 43
Atom C of residue 97
Atom OE2 of residue 99
LYS
Atom CA of residue 545
Atom N of residue 16
SER
Atom C of residue 46
Atom N of residue 107
python stream rigid body positions
LYS
Atom CA of residue 48
Atom CA of residue 59
Atom CE of residue 82
P2114
Atom CA of residue 586
Atom CA of residue 71
GLU
Atom CE1 of residue 20
Atom N of residue 33
Atom CB of residue 35
MET
Atom CA of residue 21
Atom CA of residue 79
Atom CA of residue 21
Atom CA of residue 69
Atom C of residue 120
THR
GLU
Atom CA of residue 122
Atom CB of residue 21
GLN
Atom CA of residue 489
Atom CA of residue 3
ILE
Atom SG of residue 138
VAL
MET
Atom C of residue 5
Atom CA of residue 52
Atom CG of residue 52
P2123
Atom CG1 of residue 57
THR
Atom N of residue 100
ASP
PRO
Atom CA of residue 43
MET
Atom CA of residue 89
Atom CA of residue 83
Atom CB of residue 113
ALA
Atom CA of residue 94
Atom CA of residue 516
Atom N of residue 65
Atom ND1 of residue 43
Atom CA of residue 538
Atom CA of residue 34
Atom CA of residue 108
Atom CA of residue 456
Atom OD1 of residue 30
GLU
Atom CA of residue 551
Atom N of residue 155
TYR
Atom CB of residue 81
ASN
SER
Atom CB of residue 73
PRO
TYR
Atom CA of residue 10
Atom CA of residue 558
Atom CB of residue 107
Atom C of residue 44
Atom CA of residue 124
Atom CE2 of residue 24
Atom NZ of residue 76
Atom N of residue 97
SER
Atom CA of residue 35
Atom CA of residue 38
Atom CA of residue 508
Atom O of residue 20
Atom CA of residue 519
LYS
Atom CA of residue 474
Atom CA of residue 23
Atom C of residue 114
Atom CA of residue 155
GLY
Atom CA of residue 36
TYR
VAL
Atom CA of residue 122
PRO
Atom C of residue 93
PRO
ARG
ILE
Atom CD of residue 63
VAL
GLY
Atom CB of residue 31
LEU
Atom CA of residue 440
GLN
Atom CG of residue 74
Atom CA of residue 74
Atom O of residue 55
Atom CZ of residue 77
Atom CA of residue 35
GLY
SER
Atom CA of residue 55
Atom CB of residue 157
Atom N of residue 22
GLU
Atom CA of residue 24
THR
Chain A
VAL
ASP
Atom N of residue 51
Atom O of residue 46
PRO
ARG
Atom CA of residue 8
Atom O of residue 54
PRO
ILE
ARG
Atom CB of residue 48
TYR
Atom O of residue 4
Atom CG of residue 81
ILE
Atom CA of residue 63
Atom CA of residue 81
Atom CA of residue 535
GLU
ILE
PRO
Atom CG of residue 111
Atom N of residue 116
GLN
Atom N of residue 48
Atom CA of residue 452
Atom N of residue 37
Atom CG of residue 82
Atom CB of residue 90
Atom C of residue 51
Atom NH1 of residue 70
Atom CA of residue 577
LEU
ILE
TYR
Atom CA of residue 83
Atom CA of residue 39
ASP
PHE
Atom N of residue 77
Atom CA of residue 67
Atom CB of residue 39
Atom CA of residue 2684
Atom CA of residue 33
Atom CA of residue 28
Atom CA of residue 40
LEU
ILE
Atom CB of residue 20
Atom CA of residue 68
Atom C of residue 23
Atom CA of residue 40
Atom CA of residue 115
LYS
Atom CA of residue 81
Atom CA of residue 89
Atom CA of residue 453
1z5s_D.pdb rigid body positions
Atom CA of residue 11
SER
Atom O of residue 152
Atom CA of residue 95
Atom CA of residue 43
Atom N of residue 9
Atom CA of residue 87
LEU
Atom CB of residue 41
LYS
Atom CA of residue 32
Atom CA of residue 40
Atom CA of residue 2674
Atom CA of residue 6
Atom CA of residue 53
Atom CG of residue 127
Atom CA of residue 54
Atom CA of residue 133
THR
Atom CA of residue 85
GLU
Atom N of residue 82
ARG
Atom CA of residue 5
Atom NH2 of residue 147
GLN
Atom CA of residue 39
Atom CB of residue 6
Atom CA of residue 551
Atom CA of residue 477
MET
Atom CB of residue 4
ALA
Atom N of residue 83
Atom N of residue 139
Atom CA of residue 586
Atom CA of residue 22
LEU
LYS
VAL
Model 26
PHE
Atom CG2 of residue 57
ASP
Atom CA of residue 88
Atom CE2 of residue 53
MET
Atom CD1 of residue 34
Atom O of residue 114
Atom O of residue 44
Atom CA of residue 2639
Atom CG of residue 113
Atom NH2 of residue 70
Atom C of residue 94
Atom N of residue 11
Atom N of residue 2
Atom CA of residue 88
Atom CA of residue 33
ILE
Atom N of residue 36
Atom O of residue 3
Atom CA of residue 143
Atom CG of residue 21
Atom CB of residue 87
Atom CA of residue 139
Atom N of residue 56
THR
PHE
Atom CA of residue 463
Atom C of residue 35
Atom CA of residue 137
Chain A
Atom CD1 of residue 57
Atom CA of residue 29
PRO
Atom CA of residue 91
Atom O of residue 80
Atom CG of residue 79
Atom C of residue 24
Atom CA of residue 127
Atom C of residue 124
Chain A
ALA
Atom CD1 of residue 82
Atom CA of residue 31
Atom CA of residue 25
Atom CA of residue 62
Atom CB of residue 54
Atom CD2 of residue 43
Atom CA of residue 539
Atom O of residue 79
Atom CA of residue 457
Atom CA of residue 151
Atom SG of residue 75
Atom SG of residue 93
Atom CD2 of residue 51
Atom C of residue 35
Atom CA of residue 61
Atom CA of residue 72
LYS
HIS
GLU
Atom CA of residue 52
Atom CG of residue 51
THR
GLU
ALA
Atom O of residue 51
Atom C of residue 122
GLY
ARG
PRO
ASN
Atom OG of residue 31
Atom O of residue 103
Atom CA of residue 546
ARG
Atom CG of residue 39
LEU
ASP
Atom CB of residue 78
ASN
Atom CA of residue 525
Atom CD of residue 111
GLY
Atom N of residue 35
LYS
Atom OD1 of residue 127
Atom C of residue 2
Atom OH of residue 134
SER
Atom N of residue 155
Atom CD2 of residue 81
Atom NE of residue 63
SER
Atom CA of residue 142
Atom CA of residue 2690
Atom CA of residue 55
Atom CA of residue 19
Atom C of residue 83
Atom CA of residue 75
Atom CD1 of residue 81
Atom N of residue 78
Atom N of residue 60
Atom ND2 of residue 140
Atom O of residue 97
Atom O of residue 53
TYR
Atom CA of residue 6
rigid bodies list
Atom CA of residue 82
Atom CZ of residue 58
LYS
Atom C of residue 58
PHE
ILE
GLU
Atom C of residue 133
Atom NE of residue 70
LEU
ILE
Atom CA of residue 436
LYS
ARG
LEU
Atom N of residue 94
Atom CA of residue 40
Atom CA of residue 46
LeavesRefiner2
Atom CA of residue 53
Atom CA of residue 42
LYS
Atom N of residue 26
Atom CA of residue 117
THR
Atom CA of residue 35
ALA
ILE
SER
UpdateRigidBodyMembers6
Atom CA of residue 129
Atom CD2 of residue 66
Atom CA of residue 80
Atom C of residue 88
Atom CA of residue 109
Atom O of residue 66
Atom CA of residue 33
PHE
VAL
Atom NH1 of residue 70
Atom C of residue 43
Atom CG of residue 104
TYR
Atom CA of residue 104
Atom CA of residue 487
THR
SER
Atom CA of residue 91
Atom CB of residue 43
Atom CA of residue 1
Atom C of residue 117
Atom CA of residue 508
PRO
Atom CD2 of residue 57
Atom N of residue 76
THR
MET
LEU
Atom CE3 of residue 53
PHE
Atom C of residue 54
ASN
MET
LYS
Atom N of residue 119
GLY
Atom CB of residue 136
Atom CB of residue 152
Atom CA of residue 84
SER
LYS
Atom CA of residue 38
Atom CB of residue 46
Atom CA of residue 109
Atom CE1 of residue 51
Atom CA of residue 586
Atom CA of residue 68
Atom CA of residue 132
P2121
Atom CA of residue 106
Atom CB of residue 80
Atom CD of residue 79
Atom CA of residue 98
Atom CA of residue 78
MET
Atom CA of residue 51
ARG
Atom N of residue 71
GLY
Atom O of residue 122
Atom CA of residue 116
Atom CA of residue 13
Atom OG of residue 7
VAL
Atom CB of residue 103
Atom O of residue 70
Atom CD2 of residue 94
Atom CG of residue 87
Atom C of residue 72
Atom C of residue 139
PHE
Atom O of residue 79
Atom CA of residue 77
Atom O of residue 63
Atom CA of residue 44
ASP
Atom CA of residue 2642
Atom NH1 of residue 17
ASN
Atom CA of residue 119
MET
PHE
Atom CA of residue 41
MET
ASP
GLN
Atom CB of residue 77
GLY
GLY
Atom CA of residue 2685
Atom N of residue 44
Atom CG of residue 78
Atom CA of residue 464
Atom CA of residue 89
Atom CA of residue 138
LYS
Atom CA of residue 35
Atom CG of residue 84
Atom CA of residue 69
Atom O of residue 24
PHE
Atom CD1 of residue 51
Atom CB of residue 114
Atom N of residue 127
Atom OD2 of residue 33
Atom CD2 of residue 82
Atom N of residue 135
Atom CG of residue 54
Atom O of residue 117
Atom CB of residue 143
Atom CB of residue 79
Atom OG of residue 71
HIS
Atom CA of residue 155
Atom CD2 of residue 77
Atom CA of residue 20
Atom O of residue 83
Atom C of residue 46
Atom CE of residue 39
ASP
Atom N of residue 59
Atom O of residue 58
Atom C of residue 45
Atom CG of residue 155
Atom CA of residue 490
Atom OD1 of residue 37
Atom NE1 of residue 103
Atom O of residue 133
GLN
ProbabilisticAnchorGraph1
Atom CA of residue 21
1z5s_A.pdb
MET
Atom CA of residue 455
Atom CA of residue 61
Atom CA of residue 520
LYS
Atom CA of residue 40
Atom CA of residue 547
CYS
Atom O of residue 43
Atom CA of residue 526
Atom CA of residue 131
ILE
CYS
Atom OD2 of residue 127
GLY
VAL
Atom CA of residue 2640
Atom CB of residue 51
Atom C of residue 15
ILE
Atom N of residue 82
Atom CD of residue 74
Atom C of residue 3
Atom CA of residue 75
Atom N of residue 50
Atom CD of residue 104
ASN
Atom N of residue 141
LEU
Atom CA of residue 80
Atom CB of residue 33
THR
Atom CA of residue 457
Atom C of residue 23
Atom CA of residue 552
Atom CD of residue 143
GLU
VAL
Atom CA of residue 86
LYS
Atom CZ of residue 70
LEU
Atom CE2 of residue 36
Atom C of residue 116
Atom CA of residue 26
PRO
ASP
Atom CA of residue 39
UpdateRigidBodyMembers5
Atom CA of residue 84
PRO
Atom CB of residue 84
Atom CA of residue 35
Atom CA of residue 475
Atom C of residue 68
LEU
Atom CA of residue 23
ARG
Atom CB of residue 53
Atom CB of residue 79
TYR
SER
Atom CD1 of residue 51
Atom CA of residue 56
Atom OG of residue 31
PRO
ALA
Atom CA of residue 90
Atom CA of residue 29
Atom CE1 of residue 66
PRO
PHE
Atom CA of residue 133
Atom CG1 of residue 136
Atom CA of residue 96
LEU
Atom NH2 of residue 70
Atom CA of residue 156
ILE
GLY
ALA
LYS
Atom C of residue 132
Atom SG of residue 43
ILE
ALA
Atom CA of residue 24
Atom CA of residue 40
Atom CG of residue 120
VAL
Atom CA of residue 5
Atom CA of residue 116
Atom NH2 of residue 17
ASP
LEU
Atom CZ2 of residue 41
Atom CA of residue 40
P2122
Atom CA of residue 2675
Atom CB of residue 66
Atom O of residue 6
Atom CG1 of residue 38
Atom CA of residue 100
Atom C of residue 155
Atom CA of residue 89
Atom CA of residue 152
Atom CE1 of residue 77
Atom CG of residue 77
Atom CE2 of residue 51
Atom CD of residue 84
Atom CA of residue 552
LEU
ALA
Atom CA of residue 99
Atom CA of residue 16
Atom C of residue 52
VAL
Atom O of residue 11
TRP
Atom CA of residue 34
THR
Atom N of residue 72
1z5s_B.pdb rigid body positions
Atom N of residue 95
Atom O of residue 72
ALA
ASP
Atom CD of residue 78
SER
Atom CB of residue 89
HIS
Atom OE1 of residue 143
Atom O of residue 45
Atom CD1 of residue 155
Atom CG of residue 137
Atom CA of residue 84
Atom CA of residue 132
Atom CA of residue 499
Atom CA of residue 155
Atom CG of residue 143
Atom CB of residue 70
RigidCPF
Atom N of residue 26
SER
Atom C of residue 141
Atom CE2 of residue 68
Atom CA of residue 86
LEU
Atom CA of residue 63
Atom CG of residue 29
Atom CA of residue 62
Atom CA of residue 76
Atom C of residue 24
Atom N of residue 32
Atom CB of residue 63
Atom CA of residue 478
VAL
Atom N of residue 34
LEU
Atom CA of residue 54
PHE
VAL
MET
ALA
Atom CG of residue 40
Atom C of residue 89
Atom O of residue 68
Atom CA of residue 7
Atom CE of residue 110
Atom CA of residue 110
Atom CA of residue 2688
ALA
Atom ND2 of residue 37
Atom CE2 of residue 103
Atom CA of residue 587
Atom CA of residue 56
Atom CA of residue 56
Atom CA of residue 89
GLN
Atom CG1 of residue 22
Atom CG of residue 36
CYS
Atom O of residue 88
SER
THR
ILE
PRO
Atom CA of residue 104
VAL
Atom CA of residue 99
Atom CA of residue 56
Atom CA of residue 542
GLU
Atom O of residue 15
Atom C of residue 138
GLU
Atom O of residue 29
VAL
Atom CZ3 of residue 41
Atom CG of residue 49
Atom CA of residue 73
Atom CA of residue 83
MET
Atom NH1 of residue 8
Atom N of residue 75
ASN
GLN
Atom CA of residue 130
Atom CA of residue 587
Atom CA of residue 90
Atom C of residue 154
Atom CG of residue 33
Atom CA of residue 468
Atom CA of residue 77
GLN
Atom CD1 of residue 137
Atom CA of residue 118
Atom CB of residue 42
ALA
TRP
ILE
SER
Atom CA of residue 39
ALA
Atom CZ of residue 36
Atom CB of residue 36
Atom N of residue 2
Atom CA of residue 128
ALA
Atom CA of residue 54
Atom CA of residue 24
PRO
Atom CA of residue 105
Atom O of residue 45
Atom CA of residue 32
Atom CG of residue 117
Atom OG of residue 89
GLY
Atom CD2 of residue 51
VAL
Atom CA of residue 25
Atom CA of residue 38
Atom CA of residue 434
Atom CA of residue 6
Atom CD2 of residue 80
GLY
ASN
Atom N of residue 120
Atom CA of residue 92
VAL
Atom CA of residue 456
Atom CA of residue 92
Atom CA of residue 76
Atom CA of residue 80
Atom CG2 of residue 38
ASP
Atom CA of residue 12
VAL
Atom CA of residue 127
Atom CA of residue 44
Atom CB of residue 74
1z5s_A.pdb
LYS
Atom O of residue 24
PRO
SER
Atom CA of residue 110
Atom N of residue 18
LEU
LEU
Atom CA of residue 72
Atom CA of residue 527
Atom OE1 of residue 99
P2127
Atom CA of residue 107
Atom N of residue 65
LYS
CYS
Atom OD1 of residue 40
Atom N of residue 10
Atom CG2 of residue 22
Atom CA of residue 91
Atom CE2 of residue 77
Atom O of residue 132
Atom O of residue 141
Atom CA of residue 81
THR
Atom CD of residue 29
Atom CA of residue 45
Atom C of residue 94
LYS
Atom CA of residue 45
Atom CG2 of residue 107
PRO
Atom O of residue 71
ASN
Atom O of residue 52
Atom CA of residue 488
GLN
Atom CA of residue 23
Atom CA of residue 78
Atom CA of residue 39
VAL
Atom CA of residue 2643
Atom CA of residue 76
LYS
Atom O of residue 20
1z5s_B.pdb
Atom CZ of residue 68
VAL
LEU
GLY
Atom C of residue 76
HIS
Atom OE2 of residue 143
Atom CA of residue 4
Atom CG of residue 114
Atom CA of residue 40
Atom O of residue 138
Atom CA of residue 15
Atom CA of residue 26
Atom CA of residue 70
Atom SD of residue 36
Atom CA of residue 133
Atom CB of residue 40
Atom CA of residue 76
Atom CA of residue 50
Atom O of residue 154
Atom CA of residue 92
GLY
Atom CA of residue 81
Atom CB of residue 88
LYS
SER
Atom CA of residue 42
GLU
Atom O of residue 102
ALA
Atom CA of residue 62
Atom CA of residue 543
VAL
Atom CG of residue 36
ASP
Atom OE2 of residue 143
THR
Atom CD of residue 98
1z5s_C.pdb
Atom CA of residue 75
SER
ILE
SER
PRO
Atom C of residue 125
Atom CA of residue 458
Atom CG2 of residue 45
PRO
Atom CG of residue 73
Atom CA of residue 63
Atom NZ of residue 110
Atom C of residue 62
Atom CG1 of residue 96
Atom CB of residue 45
Atom C of residue 38
Atom CA of residue 548
Atom CE2 of residue 21
Atom OE1 of residue 12
Atom C of residue 104
Atom C of residue 99
MET
Atom CA of residue 138
Atom CA of residue 465
PairScore 1
SER
Atom CD of residue 49
PRO
HIS
Atom N of residue 41
Atom CB of residue 68
Atom CA of residue 2641
Atom CD of residue 42
PRO
GLY
LYS
Atom C of residue 102
Atom CB of residue 24
GLU
Atom CA of residue 96
Atom CD1 of residue 107
ASP
Atom C of residue 77
Atom CA of residue 2687
Atom OG1 of residue 42
Atom CA of residue 85
ARG
Atom CA of residue 101
Atom CB of residue 29
Atom CA of residue 27
Atom CD2 of residue 47
Atom CH2 of residue 41
Atom CA of residue 43
Atom CG of residue 40
Atom CA of residue 85
ARG
Atom CA of residue 553
Atom CA of residue 115
ALA
Atom CG of residue 74
Atom CA of residue 74
Atom C of residue 45
Atom CA of residue 57
Atom CA of residue 476
Atom CA of residue 479
Atom N of residue 17
VAL
Atom CD2 of residue 137
CoreCloseBipartitePairContainer
ASN
Atom CA of residue 91
MET
GLN
Atom C of residue 92
PHE
Atom CA of residue 18
Atom CG1 of residue 45
GLY
LYS
Atom CA of residue 58
Atom CG of residue 100
Atom CB of residue 132
ASP
Atom CA of residue 12
Atom CA of residue 27
Atom C of residue 6
Atom CB of residue 77
Atom CG of residue 31
Atom CA of residue 157
LYS
Atom N of residue 81
CYS
Atom CE2 of residue 41
GLU
Atom CA of residue 41
Atom CA of residue 113
ILE
Atom O of residue 34
GLY
Atom N of residue 74
Atom OE2 of residue 78
Atom C of residue 91
Atom CG of residue 40
Atom CA of residue 26
Atom CA of residue 42
Atom C of residue 92
Atom N of residue 50
Atom CB of residue 60
LEU
Atom CA of residue 521
PRO
PRO
Atom CA of residue 117
Atom CA of residue 116
Atom CG2 of residue 125
Atom CA of residue 528
Atom OE2 of residue 99
GLY
GLU
LEU
Atom CA of residue 35
Chain C
Atom C of residue 39
Atom CA of residue 86
GLU
Atom CA of residue 553
GLU
1z5s_B.pdb rigid body positions
Atom CA of residue 459
Atom CD1 of residue 22
GLU
GLY
Atom CD1 of residue 45
Atom CA of residue 30
Atom O of residue 35
LEU
Atom O of residue 62
PHE
Atom CA of residue 153
Atom CA of residue 29
VAL
Atom O of residue 99
Atom CD1 of residue 114
Atom CA of residue 100
Atom CB of residue 71
Atom C of residue 40
PRO
Atom CA of residue 55
Atom CA of residue 111
LEU
Atom CA of residue 23
TRP
Atom CA of residue 452
Atom O of residue 125
HIS
Atom CB of residue 20
Atom N of residue 75
Atom CA of residue 33
Atom CA of residue 500
LEU
Atom CD1 of residue 91
Atom CA of residue 58
Atom O of residue 102
Atom CD2 of residue 60
Atom CG2 of residue 96
Atom N of residue 123
Atom CA of residue 127
Atom CG of residue 25
Atom C of residue 62
Atom CB of residue 50
Atom CA of residue 139
GLY
Atom N of residue 144
Atom CA of residue 41
CYS
Atom CD of residue 139
Atom CB of residue 97
ALA
PHE
Atom N of residue 123
Atom CD of residue 73
Atom C of residue 74
1z5s_C1.pdb RigidBodyHierarchy 1
PRO
Atom CA of residue 2676
LEU
Atom C of residue 16
NormalizeRotation4
Atom CA of residue 87
LEU
Atom CB of residue 138
Atom CA of residue 70
Atom OE1 of residue 98
GLY
Atom SD of residue 40
Atom CA of residue 57
Atom O of residue 6
PRO
NullModifier1
LEU
Atom CA of residue 55
SER
Atom NE2 of residue 75
Atom CA of residue 90
Atom O of residue 157
Atom CB of residue 102
PairScore 0
Atom CD1 of residue 64
Atom O of residue 7
Atom CB of residue 118
Atom CA of residue 20
Atom CA of residue 489
Atom CA of residue 91
Atom CA of residue 87
LYS
Atom C of residue 31
Atom C of residue 50
Atom CA of residue 433
Atom CA of residue 37
VAL
LYS
LYS
Atom C of residue 115
Atom N of residue 79
Atom O of residue 91
Atom CA of residue 77
Atom CA of residue 2631
Atom OD1 of residue 100
Atom N of residue 23
Atom OE1 of residue 42
Atom CG of residue 60
Atom CA of residue 74
Atom CA of residue 84
GLY
VAL
Atom O of residue 39
Atom CA of residue 135
Atom N of residue 108
Atom O of residue 77
Atom CA of residue 7
VAL
LYS
Atom CD1 of residue 116
Atom CA of residue 83
Atom N of residue 150
THR
Atom N of residue 48
PRO
NormalizeRotation2
Atom N of residue 35
Atom CA of residue 76
GLN
Atom CA of residue 106
Atom C of residue 136
Atom N of residue 46
Atom CA of residue 82
Atom CA of residue 24
PRO
Atom CG of residue 77
LEU
Atom CD2 of residue 41
PRO
LEU
GLN
Atom O of residue 40
Atom CA of residue 64
TRP
LYS
Atom C of residue 113
Atom CA of residue 24
Atom CA of residue 21
MET
Atom CA of residue 28
VAL
Atom CA of residue 3
Atom N of residue 33
Atom CB of residue 9
Atom CA of residue 8
PHE
Atom CA of residue 59
Atom CA of residue 457
Atom CA of residue 37
Atom N of residue 90
Atom O of residue 91
ARG
Atom OG of residue 50
Atom CE3 of residue 41
Atom CA of residue 73
Atom CA of residue 469
Atom CA of residue 533
VAL
LYS
VAL
Atom CG1 of residue 4
Atom CA of residue 115
ASN
ASN
Atom CA of residue 21
Atom CA of residue 154
Atom O of residue 92
Atom C of residue 30
SER
GLN
Atom O of residue 129
Atom O of residue 85
Atom CA of residue 46
Atom CA of residue 57
LEU
Atom OE2 of residue 98
Atom CA of residue 82
Atom CD1 of residue 125
UnaryFunction2
Atom CB of residue 51
Atom CA of residue 453
Atom C of residue 55
Atom CA of residue 44
LYS
Atom NE2 of residue 92
Atom CG2 of residue 148
GLN
Atom OE1 of residue 132
1z5s_A.pdb
Atom CA of residue 97
Atom CA of residue 532
Atom N of residue 86
LYS
LYS
Atom C of residue 58
Atom CA of residue 79
Atom CG of residue 123
Atom CG of residue 128
Atom CA of residue 587
Chain A
Atom N of residue 125
Atom CB of residue 157
Atom O of residue 93
Atom C of residue 127
Atom CD of residue 25
TYR
GLN
Atom CA of residue 107
Atom CA of residue 29
TYR
Atom CE1 of residue 21
Atom O of residue 50
ILE
Atom O of residue 155
Atom C of residue 145
Atom CG of residue 97
Atom CA of residue 59
LYS
PRO
Atom CG of residue 9
Atom CA of residue 64
Atom N of residue 61
ALA
Atom CB of residue 62
Atom CA of residue 122
ASP
PRO
Atom CD1 of residue 77
Atom CA of residue 92
VAL
LYS
Atom O of residue 145
ALA
SER
MET
Atom CB of residue 89
TRP
Atom OE1 of residue 139
LYS
VAL
Atom CA of residue 64
Atom OE1 of residue 117
Atom CA of residue 93
Atom CA of residue 522
Atom N of residue 76
Atom CA of residue 35
GLY
Atom O of residue 140
Atom CG of residue 85
LYS
Atom O of residue 16
ILE
Atom CA of residue 74
PHE
SER
Atom O of residue 113
Atom N of residue 149
Atom CA of residue 460
Atom CA of residue 111
GLY
CYS
THR
ARG
Atom CA of residue 529
Atom CA of residue 82
Atom CD1 of residue 113
Atom C of residue 97
LYS
PRO
Atom CA of residue 7
Atom CA of residue 108
ALA
Atom CG of residue 139
Atom CA of residue 53
SER
ALA
Atom CD2 of residue 64
Atom NE1 of residue 41
Atom N of residue 99
Atom CB of residue 65
VAL
GLN
Atom CG of residue 61
Atom CA of residue 86
MET
Atom NZ of residue 74
1z5s_C.pdb rigid body positions
Atom N of residue 25
Atom CA of residue 58
Atom CA of residue 71
ILE
Atom CB of residue 129
Atom CA of residue 2644
Atom N of residue 117
Atom CB of residue 69
Atom CA of residue 2
ALA
Atom CA of residue 92
Atom CD of residue 145
Atom CE2 of residue 21
Atom O of residue 129
Atom CD2 of residue 38
Atom CA of residue 480
ALA
ILE
VAL
Atom O of residue 136
ILE
Atom CB of residue 95
Atom C of residue 59
Atom O of residue 58
Atom CA of residue 467
VAL
VAL
Atom CB of residue 93
Atom CA of residue 39
LEU
Atom N of residue 51
GLY
Atom CA of residue 42
Atom CA of residue 129
Atom CD1 of residue 16
Atom CA of residue 549
LEU
Atom CA of residue 37
PRO
Atom CE of residue 59
LYS
ASP
VAL
ASP
Atom CD of residue 123
Atom CB of residue 91
Atom CA of residue 10
LYS
Atom CA of residue 3
Atom N of residue 43
Atom CA of residue 459
Atom CA of residue 66
Atom CA of residue 88
Atom CG of residue 51
Atom CA of residue 534
Atom CA of residue 103
Atom CA of residue 97
GLY
Atom N of residue 57
Atom CA of residue 2686
Atom C of residue 97
Atom ND1 of residue 83
ASP
Atom CA of residue 102
Atom N of residue 31
GLU
Atom CE1 of residue 87
PRO
PRO
Atom CD of residue 128
Atom CA of residue 25
Atom O of residue 112
Atom CA of residue 75
Atom O of residue 32
Atom CA of residue 118
Atom CA of residue 455
LEU
Atom CG of residue 69
Atom C of residue 92
HIS
Atom CA of residue 35
Atom CA of residue 110
Atom OE2 of residue 132
Atom CA of residue 154
GLN
Atom CA of residue 22
LYS
Atom CA of residue 6
VAL
PHE
THR
Atom C of residue 108
Atom CD of residue 139
Atom N of residue 81
Atom CG of residue 157
Atom CA of residue 554
Atom C of residue 81
Atom CA of residue 34
Atom CB of residue 34
ALA
ILE
Atom CA of residue 101
Atom CG of residue 60
Atom O of residue 86
Atom CB of residue 102
Atom CA of residue 65
Atom CA of residue 45
Atom CB of residue 155
Atom CD of residue 61
ARG
Atom CA of residue 28
UpdateRigidBodyMembers2
SER
Atom CA of residue 81
Atom NZ of residue 59
Atom N of residue 98
SER
ALA
Atom CA of residue 23
Atom CA of residue 2660
Atom CA of residue 36
Atom CA of residue 6
Atom CA of residue 2
Atom CA of residue 140
Atom C of residue 35
python stream
Atom CD1 of residue 112
Atom OE1 of residue 92
Atom CD of residue 85
Atom CA of residue 62
Atom C of residue 33
GLN
Atom C of residue 3
Atom CA of residue 60
Atom CB of residue 132
ASP
VAL
Atom CA of residue 470
Atom CA of residue 56
Atom CA of residue 58
Atom CA of residue 41
Atom CG1 of residue 27
Atom CA of residue 2677
ILE
Atom CA of residue 435
Atom OD2 of residue 30
GLU
Atom C of residue 82
Atom CA of residue 137
Atom C of residue 82
Atom N of residue 91
Atom O of residue 49
Atom CA of residue 77
ILE
TRP
Atom CA of residue 103
Atom C of residue 59
Atom CB of residue 21
Atom CG of residue 65
Atom CB of residue 129
ILE
SER
Atom CB of residue 49
ASN
Atom CA of residue 490
PRO
Atom CA of residue 530
Atom CD2 of residue 113
Atom O of residue 97
rigid bodies list
Atom CB of residue 38
ILE
LEU
Atom CB of residue 140
Atom CA of residue 554
GLU
GLN
LEU
Atom OE1 of residue 145
Atom O of residue 84
LEU
GLY
LYS
LYS
VAL
Atom CA of residue 88
Atom CA of residue 107
Atom CA of residue 87
MET
Atom CG of residue 79
Atom CA of residue 9
Atom CG of residue 78
Atom CA of residue 112
Atom CE2 of residue 16
Atom N of residue 8
Atom CA of residue 125
Atom CA of residue 13
Atom N of residue 130
Atom C of residue 25
MET
Atom CA of residue 501
Atom CZ of residue 21
LEU
Atom C of residue 129
Atom CE1 of residue 20
Atom CA of residue 57
Atom CB of residue 37
ASP
Atom CA of residue 4
LEU
Atom CG of residue 99
GLY
TYR
Atom CA of residue 94
Atom O of residue 108
Atom NH2 of residue 104
Atom CA of residue 2632
Atom O of residue 39
Atom NE of residue 17
ALA
Atom C of residue 68
Atom CB of residue 32
ARG
Atom CA of residue 8
Atom CA of residue 50
LEU
LYS
Atom CG of residue 102
Atom CA of residue 84
Atom CD2 of residue 16
TRP
Atom C of residue 103
Atom CE of residue 46
Atom CA of residue 83
Atom CA of residue 112
ALA
Atom OE1 of residue 12
GLU
ASP
Atom C of residue 95
Atom CA of residue 129
Atom CA of residue 25
Atom CA of residue 109
PRO
ASN
Atom CA of residue 47
Atom CA of residue 458
CYS
VAL
Atom CG of residue 132
Atom O of residue 73
Atom CD of residue 69
Atom CA of residue 460
Atom CA of residue 91
SER
LYS
Atom CA of residue 22
ASP
LEU
Atom CD2 of residue 83
Atom CA of residue 142
Atom CA of residue 91
Atom CA of residue 45
Atom CB of residue 49
Atom NE2 of residue 92
Atom O of residue 33
Atom CA of residue 2653
Atom CB of residue 112
ASN
Atom CD of residue 58
Atom CA of residue 21
ASP
Atom CE1 of residue 22
Atom CD1 of residue 60
Atom CA of residue 92
Atom CA of residue 75
Atom CA of residue 85
Atom CG2 of residue 45
Atom CG2 of residue 27
Atom CA of residue 15
Atom CG of residue 49
Atom C of residue 81
Atom CA of residue 13
Atom CB of residue 109
Atom CA of residue 25
Atom O of residue 53
ASP
PRO
Atom N of residue 94
SER
Atom O of residue 10
Atom CB of residue 153
ALA
TYR
Atom N of residue 105
ASN
Atom OE1 of residue 139
Atom CG1 of residue 38
Atom O of residue 81
ALA
Atom CA of residue 580
Atom CA of residue 14
LEU
AccumulateRigidBodyDerivatives7
Atom CB of residue 86
Atom CA of residue 28
Atom CE of residue 36
Atom OE1 of residue 89
Atom CA of residue 26
LEU
Atom CA of residue 458
Atom CE2 of residue 144
ILE
PHE
Atom CA of residue 49
SER
Atom CA of residue 1
Atom N of residue 60
ILE
Atom CD of residue 69
Atom CD of residue 79
GLU
Atom O of residue 97
Atom N of residue 113
PHE
Atom CA of residue 136
Atom O of residue 68
Atom CA of residue 2645
Atom CA of residue 155
Atom CG of residue 76
Atom CG of residue 36
ALA
Atom CB of residue 84
Atom CA of residue 523
Atom CD of residue 33
Atom CG of residue 37
Atom N of residue 31
Atom CA of residue 20
Atom O of residue 82
Atom CA of residue 79
THR
LYS
Atom CA of residue 138
Atom CA of residue 25
Atom N of residue 42
Atom CA of residue 83
Atom CA of residue 82
UpdateRigidBodyMembers11
PRO
Atom CD of residue 78
GLN
Atom CA of residue 113
Atom CG of residue 8
PHE
Atom CA of residue 491
Atom O of residue 59
Atom CG of residue 21
Atom CB of residue 41
Atom CA of residue 134
Atom CB of residue 30
Atom CA of residue 87
Atom CA of residue 54
Atom CD of residue 99
Atom CA of residue 11
Atom CA of residue 30
VAL
ASP
Atom CG of residue 153
Atom CA of residue 59
Atom CA of residue 81
Atom O of residue 100
Atom CB of residue 39
Atom CA of residue 555
GLU
Atom CA of residue 13
CYS
LEU
Atom CA of residue 93
LYS
Atom CA of residue 80
THR
Atom CA of residue 77
Atom CA of residue 72
Atom C of residue 57
Atom OE1 of residue 85
Atom CA of residue 113
Atom CA of residue 57
1z5s_A.pdb
Atom CA of residue 45
GLN
Atom CA of residue 21
Atom CA of residue 103
VAL
ILE
GLU
Atom O of residue 91
Atom CA of residue 456
Atom C of residue 50
Atom CD of residue 76
Atom OD1 of residue 102
Atom CG of residue 82
ALA
PHE
Atom CA of residue 43
ASN
Atom NE2 of residue 20
Atom CA of residue 105
Atom N of residue 5
Atom CA of residue 98
LEU
Atom OE1 of residue 67
HIS
VAL
Atom CA of residue 26
GLN
Atom C of residue 129
Atom CD2 of residue 114
Atom N of residue 4
Atom CZ of residue 17
GLY
Atom CA of residue 550
Atom CA of residue 61
Atom CD2 of residue 155
1z5s_C.pdb rigid body positions
Atom CA of residue 143
Atom CD2 of residue 68
ASP
Atom CA of residue 24
Atom N of residue 37
Atom C of residue 26
ASN
Atom O of residue 37
Atom CD of residue 52
Atom NZ of residue 46
PHE
Atom CA of residue 43
Atom CA of residue 130
Atom CA of residue 89
Atom CA of residue 471
Atom CB of residue 10
Atom O of residue 95
Atom C of residue 91
Atom N of residue 39
Atom CA of residue 131
Atom CB of residue 108
Atom CA of residue 2661
Atom CA of residue 141
Atom CA of residue 555
Atom CB of residue 51
Atom CD2 of residue 155
LEU
Atom CA of residue 437
Atom O of residue 4
LEU
Atom CA of residue 531
GLN
Atom CA of residue 2648
CYS
Atom CA of residue 52
ALA
Atom CD of residue 49
Atom CA of residue 436
ILE
ARG
Atom CG1 of residue 109
Atom CA of residue 89
THR
Atom C of residue 67
Atom C of residue 82
Atom CZ of residue 36
Atom CG2 of residue 38
Atom CA of residue 2633
Atom CB of residue 141
GLN
Atom CA of residue 481
Atom CA of residue 155
ILE
Atom CB of residue 91
GLY
ILE
Atom CA of residue 25
ASN
Atom N of residue 59
Atom CB of residue 73
Atom O of residue 79
GLN
Atom CE2 of residue 22
VAL
Atom CA of residue 502
Atom CG of residue 30
ALA
VAL
ILE
Atom C of residue 49
Atom C of residue 36
VAL
Atom CA of residue 2655
Atom CA of residue 24
PRO
Atom CZ of residue 63
THR
Atom O of residue 151
Atom CD of residue 8
Atom CA of residue 102
PHE
Atom SD of residue 36
LEU
Atom OE2 of residue 89
Atom C of residue 74
PRO
Atom CZ of residue 144
Atom CA of residue 59
Atom CD of residue 37
Atom CA of residue 63
Atom N of residue 117
Atom CB of residue 53
Atom N of residue 70
ALA
GLU
Atom N of residue 80
Atom O of residue 40
Atom CA of residue 466
Atom CA of residue 78
GLY
Atom CB of residue 97
Atom CA of residue 137
Atom OG1 of residue 51
Atom N of residue 69
LYS
Atom OG1 of residue 41
LEU
ALA
Atom CA of residue 536
Atom CE1 of residue 36
Atom CA of residue 95
Atom OE1 of residue 33
Atom CB of residue 37
ARG
Atom CA of residue 92
Atom OE2 of residue 85
Atom OH of residue 68
GLU
MET
Atom CA of residue 72
Atom CE2 of residue 144
GLN
Atom CA of residue 57
Atom N of residue 95
PHE
Atom CA of residue 55
Atom CD of residue 153
ASP
Atom CA of residue 99
Atom CG of residue 32
Atom CA of residue 454
Atom CE1 of residue 68
Atom CA of residue 94
Atom SD of residue 82
Atom CA of residue 86
CYS
Atom CE1 of residue 35
GLU
ALA
PHE
Atom C of residue 18
Atom O of residue 120
Atom CA of residue 3
Atom ND2 of residue 121
ILE
Atom CA of residue 108
Atom C of residue 21
SER
Atom CA of residue 42
PairsRestraint 0
Atom CB of residue 100
Atom CA of residue 102
Atom CE1 of residue 155
MET
Atom CA of residue 85
MET
THR
Atom CA of residue 32
Atom N of residue 93
LYS
Atom CA of residue 23
Atom CA of residue 93
Atom NE of residue 13
Atom O of residue 16
TYR
TYR
Atom CB of residue 88
PHE
ARG
Atom C of residue 143
LYS
TYR
Atom CA of residue 95
GLY
Atom CA of residue 76
Atom C of residue 142
ARG
ILE
LEU
Atom N of residue 118
Atom OE2 of residue 67
Atom CA of residue 27
HIS
P2113
Atom CA of residue 98
Atom O of residue 67
Atom CA of residue 94
MET
Atom N of residue 37
Atom N of residue 115
Atom CB of residue 13
GLU
Atom CA of residue 437
Atom CA of residue 48
Atom CA of residue 113
Atom CA of residue 492
Atom CE1 of residue 155
ILE
Atom CA of residue 491
Atom O of residue 123
Atom CA of residue 73
ASN
Atom CA of residue 9
Atom CA of residue 26
Atom CA of residue 110
Atom N of residue 53
Atom CE1 of residue 35
Atom C of residue 52
MET
Atom CD2 of residue 120
GLN
Atom CA of residue 134
Atom CB of residue 44
Atom CA of residue 30
LEU
Atom CG of residue 141
Atom CB of residue 151
LYS
PHE
Atom CA of residue 22
Atom CA of residue 15
Atom CA of residue 74
Atom CA of residue 156
Atom CA of residue 532
TRP
Atom N of residue 34
Atom OD1 of residue 30
Atom C of residue 13
ILE
Atom CA of residue 81
Atom CA of residue 36
Atom CA of residue 42
PRO
LYS
Atom CA of residue 20
ALA
SER
Atom CB of residue 79
Atom CA of residue 18
GLU
THR
ILE
Atom O of residue 138
Atom CA of residue 471
Atom O of residue 74
GLY
Atom N of residue 69
LEU
ARG
Atom O of residue 36
Atom CA of residue 54
Atom CA of residue 461
GLU
Atom O of residue 21
Atom CD of residue 94
PRO
Atom CA of residue 459
Atom CA of residue 39
ILE
Atom NH1 of residue 63
Atom CG2 of residue 51
Atom C of residue 22
Atom O of residue 9
GLU
Atom CA of residue 67
Atom CG of residue 35
SER
PRO
Atom O of residue 127
Atom CE2 of residue 36
Atom CA of residue 27
LYS
LEU
Atom C of residue 65
Atom CG of residue 94
P2114
HIS
TYR
PHE
Atom CB of residue 40
ALA
THR
Atom C of residue 99
Atom O of residue 143
CYS
TRP
Atom CA of residue 84
Atom CA of residue 578
Atom CA of residue 537
Atom O of residue 142
Atom CA of residue 30
Atom CA of residue 93
Atom CG of residue 37
Atom CA of residue 88
GLU
Atom CA of residue 2646
GLU
Atom CZ of residue 144
Atom ND2 of residue 60
Atom CA of residue 41
Atom NH1 of residue 149
Atom CA of residue 83
Atom C of residue 42
Atom CB of residue 67
Atom CA of residue 60
Atom CA of residue 2679
Atom CB of residue 16
THR
Atom CD of residue 32
Atom C of residue 88
Atom CA of residue 145
Atom CE2 of residue 68
SER
Atom CG of residue 94
Atom CB of residue 61
Atom C of residue 85
Atom C of residue 32
Atom CA of residue 142
Atom CA of residue 556
Atom CB of residue 107
Atom O of residue 52
Atom CA of residue 2654
Atom O of residue 18
TYR
Atom C of residue 30
P2113
Atom CD of residue 37
Atom O of residue 42
VAL
PHE
Atom CG1 of residue 88
Atom O of residue 94
LYS
Atom CA of residue 9
Atom CA of residue 83
ILE
ALA
Atom CA of residue 46
Atom CB of residue 136
AccumulateRigidBodyDerivatives5
Atom CA of residue 79
Atom CA of residue 44
Atom CA of residue 41
Atom N of residue 31
Atom CA of residue 7
VAL
Atom CA of residue 524
TYR
Atom N of residue 74
Atom CA of residue 129
Atom CA of residue 7
Atom CD1 of residue 87
Atom CA of residue 20
GLN
Atom CE1 of residue 91
Atom CA of residue 25
Atom CA of residue 104
GLY
Atom C of residue 147
Atom CA of residue 129
Atom CA of residue 2634
Atom OD2 of residue 86
ASN
Atom CG2 of residue 25
Atom O of residue 32
Atom CA of residue 44
P2115
Atom N of residue 45
Atom CE of residue 154
Atom CG of residue 13
Atom CA of residue 8
ALA
Atom CA of residue 55
ASN
Atom CA of residue 66
Atom CA of residue 17
Atom CB of residue 123
Atom N of residue 89
Atom CA of residue 472
Atom CB of residue 127
Atom OH of residue 137
LEU
LYS
Atom NE2 of residue 35
Atom CA of residue 99
Atom C of residue 57
Atom CA of residue 556
Atom OE1 of residue 20
Atom C of residue 75
Atom CD1 of residue 94
Atom CA of residue 2649
ARG
Atom CA of residue 55
Atom CE of residue 25
Atom CA of residue 90
Atom CA of residue 135
Atom CA of residue 94
Atom CG1 of residue 136
SER
Atom CA of residue 2662
Atom CA of residue 482
Atom CD2 of residue 63
Atom C of residue 54
ASP
THR
ARG
Atom CA of residue 503
ILE
Atom N of residue 104
Atom CA of residue 11
GLN
GLY
Atom O of residue 42
Atom CA of residue 25
Atom CA of residue 4
Atom CA of residue 123
Atom CA of residue 437
Atom CA of residue 117
Atom O of residue 80
ASP
Atom CA of residue 44
Atom C of residue 67
Atom ND1 of residue 35
Atom OG of residue 61
Atom C of residue 94
Atom CA of residue 2656
Atom CA of residue 60
Atom CG1 of residue 107
LYS
PRO
Atom CD of residue 46
THR
PHE
Atom CA of residue 79
SER
Atom O of residue 52
Atom CA of residue 34
LYS
LEU
Atom O of residue 22
Atom CA of residue 103
Atom CA of residue 90
GLU
Atom CB of residue 138
Atom CA of residue 58
Atom CA of residue 467
GLU
LYS
Atom CG of residue 122
Atom CA of residue 89
Atom CA of residue 551
Atom O of residue 65
Atom CA of residue 155
Atom CA of residue 22
MET
ALA
Atom CB of residue 63
Atom CA of residue 12
THR
Atom CA of residue 50
Atom OD1 of residue 73
Atom CG of residue 67
python stream
Atom N of residue 43
Atom CA of residue 93
THR
Atom CA of residue 74
Atom CB of residue 85
Atom CB of residue 94
Atom C of residue 27
Atom CB of residue 25
Atom C of residue 103
GLU
Atom CA of residue 41
LEU
P2120
Atom CA of residue 147
Atom N of residue 41
Atom CA of residue 114
VAL
Atom C of residue 83
Atom CA of residue 577
Atom CD1 of residue 6
Atom CA of residue 438
LEU
Atom CB of residue 32
Atom N of residue 61
Atom CA of residue 95
Atom CA of residue 109
Model 30
Atom CA of residue 533
Atom NH2 of residue 149
ARG
Atom CA of residue 87
LYS
GLN
Atom C of residue 8
Atom CA of residue 64
Atom CA of residue 108
Atom CG of residue 93
Atom O of residue 88
ILE
Atom CA of residue 6
PRO
Atom C of residue 66
Atom C of residue 88
Atom C of residue 79
GLY
LEU
Atom CZ2 of residue 41
Atom CD of residue 141
ASP
ILE
Atom N of residue 50
TRP
Atom O of residue 57
Atom CA of residue 156
Atom CA of residue 442
Atom CA of residue 51
Atom CG of residue 134
connectivity list
Atom CG2 of residue 91
Atom CE of residue 37
LYS
GLY
ASN
Atom OE1 of residue 55
Atom CA of residue 10
Atom CG1 of residue 71
Atom CA of residue 18
Atom CA of residue 90
ASN
Atom CA of residue 132
SER
GLU
Atom N of residue 14
ALA
Atom C of residue 101
LEU
Atom CA of residue 46
Atom CB of residue 139
Atom CB of residue 5
ARG
SER
Atom CB of residue 42
UpdateRigidBodyMembers7
Atom CA of residue 49
Atom C of residue 123
GLY
Atom CD2 of residue 87
P2116
ALA
Atom CA of residue 472
Atom N of residue 138
Atom CA of residue 71
GLU
Atom CA of residue 99
Atom CE of residue 39
Atom N of residue 87
Atom N of residue 26
Atom O of residue 74
Atom CA of residue 493
Atom CA of residue 492
Atom CA of residue 70
ALA
Atom NZ of residue 154
ARG
Atom CD1 of residue 82
Atom CA of residue 70
THR
Atom CD1 of residue 24
Atom CE1 of residue 51
Atom CD of residue 93
Atom CA of residue 8
Atom C of residue 23
Atom CA of residue 23
ILE
Atom CA of residue 78
Chain C
Atom CG2 of residue 136
Atom C of residue 130
SER
Atom CB of residue 100
Atom O of residue 94
Atom CA of residue 2663
GLY
ASP
PHE
Atom OE2 of residue 20
Atom CA of residue 2655
ASN
Atom O of residue 96
Atom CD2 of residue 94
ILE
ARG
ARG
Atom CA of residue 45
Atom CA of residue 28
Atom CA of residue 83
TRP
HIS
SER
Atom NE2 of residue 55
Atom CA of residue 559
GLN
Atom CG of residue 25
Atom NZ of residue 25
LEU
Atom CA of residue 77
GLU
Atom N of residue 62
Atom CD of residue 147
THR
TRP
HIS
Atom NE of residue 141
ASN
SER
Atom CA of residue 438
Atom CA of residue 59
GLU
Atom N of residue 64
Atom CA of residue 157
Atom C of residue 46
LEU
Atom CD1 of residue 134
ILE
Atom CA of residue 96
Atom CA of residue 51
Atom CA of residue 28
Atom CA of residue 81
Atom ND1 of residue 75
Atom CA of residue 93
ALA
Atom CG of residue 13
Atom O of residue 27
Atom CB of residue 80
Atom CB of residue 135
Atom O of residue 103
Atom CZ of residue 91
Atom CD2 of residue 35
GLY
Atom CA of residue 123
Atom CA of residue 68
GLU
Atom CA of residue 152
ALA
SER
Atom N of residue 47
Atom CA of residue 114
PHE
Atom CA of residue 40
Atom CA of residue 75
GLU
Atom CG of residue 63
Atom CA of residue 135
Atom CA of residue 111
Atom O of residue 76
Atom CA of residue 30
ASN
Atom CB of residue 52
Atom O of residue 121
Atom C of residue 90
ARG
THR
Atom O of residue 130
Atom CG of residue 45
Atom CZ3 of residue 41
Atom CA of residue 2678
GLY
Atom NZ of residue 65
LEU
PHE
Atom O of residue 101
Atom CA of residue 8
Atom CD1 of residue 136
Atom CA of residue 35
Atom CA of residue 3
Atom CA of residue 27
Atom CA of residue 61
Atom CA of residue 56
PHE
Atom CB of residue 11
LEU
Atom CG2 of residue 71
Atom CA of residue 520
Atom CA of residue 33
ALA
Atom O of residue 83
TYR
TYR
Atom C of residue 69
Atom CA of residue 534
Atom CA of residue 540
Atom CA of residue 115
Atom N of residue 33
Atom N of residue 156
Atom ND1 of residue 20
Atom CA of residue 39
Atom C of residue 24
Atom CA of residue 84
Atom C of residue 18
Atom CA of residue 151
Atom CA of residue 473
Atom CG of residue 100
Atom CB of residue 69
Atom CA of residue 45
Atom CA of residue 53
Atom CG of residue 124
Atom CG2 of residue 29
VAL
Atom CG of residue 139
PRO
Atom CB of residue 37
Atom N of residue 92
Atom CB of residue 76
P2125
PRO
Atom CA of residue 51
Atom CA of residue 109
1z5s_C1.pdb
GLU
ASN
Atom CA of residue 26
Atom CA of residue 460
Atom C of residue 71
Atom CA of residue 525
LYS
Atom CA of residue 21
Atom CA of residue 552
Atom CA of residue 5
GLY
Atom CB of residue 96
Atom CA of residue 45
GLU
ASP
Atom C of residue 70
Atom CA of residue 96
Atom CA of residue 105
Atom C of residue 70
GLU
Atom CE2 of residue 51
GLN
ASP
ILE
ALA
Atom C of residue 78
LEU
Atom OE1 of residue 55
MET
Atom O of residue 20
Atom N of residue 157
Atom NZ of residue 39
Atom O of residue 154
Atom CA of residue 100
Atom C of residue 152
Atom CB of residue 74
Atom CA of residue 56
ASN
Atom O of residue 69
HIS
Atom CA of residue 88
Atom CA of residue 67
Atom CA of residue 510
SER
Atom C of residue 45
MET
Atom CD2 of residue 82
Atom ND1 of residue 35
Atom CA of residue 557
Atom CD2 of residue 24
Atom CD of residue 13
Atom N of residue 67
GLU
Atom CB of residue 121
LEU
Atom CD of residue 25
Atom C of residue 56
CYS
LEU
Atom N of residue 118
Atom CA of residue 157
Atom CA of residue 443
Atom CA of residue 438
VAL
Atom CA of residue 156
Atom CA of residue 146
Atom N of residue 137
Atom CG of residue 32
Atom CZ2 of residue 53
GLY
Atom CA of residue 19
Atom C of residue 93
Atom N of residue 56
Atom C of residue 59
Atom OG1 of residue 135
Atom C of residue 41
Atom C of residue 123
Atom CA of residue 68
Atom CD of residue 45
PRO
Atom CA of residue 41
TYR
Atom O of residue 139
Atom CZ of residue 141
GLU
Atom CA of residue 61
Atom CA of residue 439
LEU
Atom CA of residue 47
PHE
Atom CD2 of residue 134
ALA
Atom CA of residue 50
GLN
GLU
LYS
PHE
Atom CZ of residue 24
Atom CD2 of residue 75
GLU
Atom CB of residue 33
PRO
Atom CA of residue 2650
THR
Atom CD of residue 23
Atom N of residue 99
Atom NH1 of residue 13
Atom N of residue 66
Atom CA of residue 91
ASN
HIS
Atom CB of residue 26
Atom CB of residue 94
Atom N of residue 147
Atom CD2 of residue 35
ALA
LEU
Atom CG of residue 70
Atom CA of residue 104
PRO
GLN
GLY
Atom C of residue 33
MET
ARG
Atom OD1 of residue 124
Atom CA of residue 118
Atom CA of residue 87
Atom CB of residue 24
Atom N of residue 85
Atom CA of residue 91
Atom CA of residue 45
Atom CA of residue 110
Atom NZ of residue 65
Atom CA of residue 36
Atom CA of residue 59
Atom O of residue 81
Atom C of residue 36
Atom O of residue 24
Atom CA of residue 558
Atom CB of residue 156
Atom CA of residue 75
ASN
ALA
Atom C of residue 9
Atom C of residue 151
Atom CB of residue 130
Atom CA of residue 504
Atom CG of residue 69
PRO
Atom CA of residue 46
Atom CA of residue 521
Atom CD1 of residue 41
Atom CA of residue 12
Atom CA of residue 100
Atom CA of residue 85
Atom CA of residue 541
Atom CG of residue 37
Atom CA of residue 82
Atom CB of residue 76
LYS
Atom CA of residue 483
ASP
Atom CA of residue 41
Atom CA of residue 23
Atom N of residue 96
Atom CA of residue 7
Atom C of residue 20
VAL
Atom CA of residue 571
ILE
ASN
SER
Atom CA of residue 2663
PRO
Atom CA of residue 73
GLN
PRO
GLY
Atom N of residue 30
Atom CB of residue 71
Atom CE2 of residue 77
Atom CA of residue 76
PRO
LYS
Atom CA of residue 42
Atom CA of residue 579
Atom CD of residue 32
PRO
Atom CZ3 of residue 53
Atom CA of residue 2657
ASP
Atom O of residue 133
Atom O of residue 59
TYR
Atom O of residue 123
Atom C of residue 68
Atom CB of residue 139
Atom CA of residue 118
LEU
Atom CE of residue 74
Atom CA of residue 94
Atom CD2 of residue 20
Atom CE2 of residue 155
Atom CA of residue 65
Model 2
Atom C of residue 50
GLY
GLY
Atom OE1 of residue 93
MET
Atom CA of residue 468
Atom CA of residue 78
Atom O of residue 93
PRO
Atom CB of residue 92
Atom N of residue 29
SER
Atom C of residue 40
PRO
Atom C of residue 46
Atom NE2 of residue 55
Atom CA of residue 88
Atom CA of residue 41
Atom CA of residue 100
Atom CB of residue 154
GLN
LEU
Atom CB of residue 69
ALA
LEU
Atom CZ of residue 82
Atom CA of residue 95
ALA
Atom N of residue 82
Atom CA of residue 473
Atom CA of residue 474
Atom N of residue 25
MET
PRO
LEU
Atom CA of residue 2656
Atom CA of residue 11
Atom CA of residue 52
LEU
Model 8
Atom O of residue 56
Atom CA of residue 535
Atom O of residue 33
Atom CA of residue 41
LYS
Atom CD2 of residue 9
GLU
Atom CD1 of residue 96
Atom CA of residue 560
LYS
Atom CA of residue 58
Atom CG of residue 94
ARG
Atom C of residue 50
Atom O of residue 36
LYS
Atom C of residue 70
Atom CG of residue 33
Atom N of residue 157
ILE
Atom O of residue 41
Atom NE of residue 54
GLU
UpdateRigidBodyMembers8
Atom CA of residue 134
Atom CA of residue 97
Atom CA of residue 128
LYS
Atom CD1 of residue 6
Atom CA of residue 461
Atom CA of residue 2664
Atom CG1 of residue 112
Atom OE1 of residue 53
Atom CZ of residue 155
Atom CD2 of residue 41
Atom CG of residue 62
Atom CA of residue 93
Atom OE2 of residue 93
VAL
THR
Atom N of residue 27
Atom O of residue 30
Atom CA of residue 14
Atom CA of residue 9
GLU
PRO
PRO
Atom CG2 of residue 42
Atom CD of residue 70
Atom CA of residue 115
Atom CA of residue 494
Atom C of residue 7
Atom CA of residue 86
Atom O of residue 14
Atom C of residue 73
Atom CA of residue 61
GLY
THR
Atom CA of residue 112
Atom CE of residue 23
GLU
Atom N of residue 19
ASP
Atom CA of residue 75
PHE
Atom OG of residue 71
GLU
LYS
GLY
TYR
THR
ALA
PHE
Atom C of residue 153
Atom CA of residue 62
Atom OG1 of residue 76
GLN
ALA
Atom CA of residue 493
Atom CG of residue 137
SER
LEU
Atom N of residue 128
Atom CA of residue 57
LEU
Atom O of residue 50
Atom CB of residue 96
Atom CZ of residue 77
ASN
Atom CG of residue 24
ALA
Atom CA of residue 147
Atom N of residue 66
Atom CA of residue 37
ASP
Atom C of residue 10
LYS
Atom CA of residue 31
CYS
Atom CA of residue 56
LEU
Atom CA of residue 85
Atom CA of residue 71
Atom CG1 of residue 116
GLU
SER
TYR
Atom CA of residue 46
Atom CA of residue 78
GLN
Atom N of residue 29
Atom CA of residue 48
Atom CA of residue 156
Atom CA of residue 47
Atom N of residue 45
LEU
Atom O of residue 46
Atom CG of residue 31
Atom NE2 of residue 151
Atom CG of residue 11
Atom CA of residue 27
Atom CA of residue 77
LEU
PHE
GLY
Atom N of residue 68
TYR
LEU
Atom NH2 of residue 141
Atom CA of residue 35
Atom OE2 of residue 145
Atom CA of residue 48
Atom CA of residue 46
Atom O of residue 40
Atom C of residue 75
Atom N of residue 83
Atom N of residue 33
Atom CA of residue 137
Atom CA of residue 11
Atom C of residue 78
Atom CA of residue 16
Atom CA of residue 553
Atom CB of residue 133
SER
Atom CA of residue 75
Atom C of residue 49
Atom CZ of residue 54
Atom CA of residue 106
Atom CD2 of residue 64
PRO
Atom CA of residue 82
ARG
Atom NE2 of residue 53
Atom CA of residue 69
Atom CA of residue 101
Atom CG1 of residue 96
ILE
Atom CA of residue 46
Atom NH1 of residue 104
SER
Atom O of residue 10
Atom CZ of residue 147
Atom CB of residue 30
GLY
Atom CA of residue 80
GLN
ARG
THR
Atom CB of residue 59
CYS
THR
Atom CZ3 of residue 103
Atom CG1 of residue 34
Atom CD1 of residue 97
Atom CA of residue 83
THR
Atom CA of residue 33
LYS
LYS
Atom CB of residue 123
Atom CG2 of residue 112
Atom CB of residue 93
Atom CA of residue 558
LEU
Atom O of residue 61
ASP
Atom O of residue 153
Atom CD of residue 48
Atom C of residue 77
Atom CA of residue 65
Atom CG1 of residue 34
Atom CA of residue 34
Atom CA of residue 484
PRO
Atom CA of residue 444
Atom CG2 of residue 116
Atom O of residue 73
ALA
Atom CA of residue 536
GLY
Atom C of residue 128
Atom CA of residue 30
Atom CB of residue 149
PRO
Atom CA of residue 62
Atom CA of residue 21
ASP
Atom CG of residue 62
ALA
Atom CD1 of residue 62
VAL
Atom N of residue 97
Atom CA of residue 25
Atom CA of residue 24
Atom C of residue 16
Atom CG of residue 68
GLU
Atom O of residue 57
Atom CA of residue 43
TYR
Atom CA of residue 2658
VAL
GLY
Atom O of residue 70
Atom O of residue 19
GLY
Atom CA of residue 157
Atom C of residue 71
VAL
Atom C of residue 86
Atom CD1 of residue 137
Atom CA of residue 135
PHE
ILE
LEU
Atom CA of residue 139
Atom N of residue 156
Atom NE1 of residue 41
TRP
Atom CA of residue 66
Atom N of residue 72
Atom N of residue 146
Atom CA of residue 4
GLY
Atom NH1 of residue 147
Atom CA of residue 522
Atom OH of residue 144
Atom CA of residue 526
Atom CA of residue 138
Atom N of residue 43
Atom CA of residue 439
Atom CB of residue 14
Atom CA of residue 60
Atom N of residue 62
Atom CG of residue 93
GLN
Atom CE2 of residue 41
Atom CB of residue 40
Atom CA of residue 111
Atom CB of residue 61
Atom O of residue 31
Atom CD1 of residue 21
THR
Atom CA of residue 18
SER
Atom CG2 of residue 34
Atom C of residue 56
Atom C of residue 15
VAL
Atom CA of residue 57
Atom O of residue 49
Atom CA of residue 105
Atom CA of residue 92
Atom CA of residue 85
GLY
Atom CB of residue 47
LYS
Atom CE1 of residue 64
PRO
Atom C of residue 78
Atom C of residue 131
THR
Atom CA of residue 133
GLN
Atom N of residue 142
TYR
Atom N of residue 129
Atom CE2 of residue 87
GLY
Atom NE2 of residue 126
Atom CA of residue 505
Atom CA of residue 16
LYS
Atom CD1 of residue 63
Atom O of residue 144
Atom CA of residue 130
Atom CD1 of residue 103
Atom CA of residue 2
HIS
THR
MET
Atom CB of residue 85
Atom C of residue 41
Atom CA of residue 2664
GLY
Atom CB of residue 141
Atom CG of residue 123
LEU
Atom CA of residue 50
THR
Atom C of residue 48
LYS
Atom CA of residue 572
Atom CA of residue 132
Atom CA of residue 2651
Atom CA of residue 9
Atom NH2 of residue 147
Atom CA of residue 37
LEU
Atom CB of residue 46
Atom CA of residue 60
LEU
Atom CA of residue 119
Atom C of residue 72
Atom N of residue 152
ARG
Atom CA of residue 53
Atom CA of residue 77
Atom N of residue 66
ARG
Atom CG2 of residue 34
ALA
Atom CD of residue 94
Atom O of residue 128
Atom CA of residue 44
Atom CB of residue 117
Atom CG of residue 80
Atom N of residue 114
Atom CA of residue 96
Atom N of residue 78
Atom CG2 of residue 96
Atom O of residue 46
Atom NH2 of residue 104
Atom CB of residue 57
Atom O of residue 75
Atom CA of residue 138
TYR
Atom CA of residue 95
Atom CA of residue 23
Atom N of residue 78
Atom O of residue 124
Atom OG1 of residue 135
LYS
GLY
Atom CH2 of residue 103
Atom CA of residue 54
Atom CA of residue 494
Atom CA of residue 92
Atom CA of residue 86
Atom C of residue 83
Atom C of residue 33
Atom C of residue 76
Atom O of residue 131
LEU
Atom CA of residue 16
Atom CA of residue 19
Atom CD2 of residue 87
Atom CD1 of residue 68
Atom CA of residue 89
GLU
Atom CB of residue 19
Model 1
Atom CD2 of residue 97
Atom CA of residue 474
Atom CG of residue 85
Atom CA of residue 85
Atom CA of residue 42
Atom CA of residue 475
GLY
Atom CA of residue 101
Atom SD of residue 62
Atom CG of residue 40
Atom CA of residue 48
ARG
Atom CA of residue 116
ASN
Atom CE of residue 48
Atom O of residue 68
Atom CD2 of residue 63
LEU
Atom CG of residue 103
LEU
Atom CD1 of residue 116
PRO
LYS
Atom CA of residue 124
Atom CG of residue 47
Atom CA of residue 82
Atom CG of residue 149
GLN
Atom CA of residue 55
Atom CA of residue 512
Atom CB of residue 120
Atom CA of residue 557
Atom C of residue 133
Atom CB of residue 146
LEU
TYR
CYS
SER
rigid bodies list
Atom CG2 of residue 76
Atom CA of residue 462
Atom CD of residue 65
Atom C of residue 146
Atom CA of residue 2665
Atom C of residue 138
Atom O of residue 15
ILE
ALA
GLU
THR
UpdateRigidBodyMembers9
Atom NE2 of residue 94
Atom C of residue 106
Atom CG of residue 141
Atom C of residue 47
ALA
Atom ND2 of residue 85
LYS
Atom CA of residue 495
SER
Atom CE3 of residue 41
1z5s_D.pdb rigid body positions
Atom CA of residue 523
Atom CA of residue 63
Atom C of residue 60
Atom CG2 of residue 86
LEU
Atom O of residue 72
Atom CA of residue 82
ASP
Atom CG2 of residue 135
GLN
HIS
1z5s_A.pdb rigid body positions
PHE
Atom CA of residue 73
LEU
Atom O of residue 153
Atom CA of residue 447
Atom CD of residue 93
LYS
Atom C of residue 60
Atom CA of residue 2657
Atom CA of residue 139
PRO
Atom CB of residue 46
Atom CA of residue 57
SER
Atom CA of residue 66
Atom CD2 of residue 21
LEU
Atom CA of residue 123
Atom CA of residue 19
Atom CB of residue 63
PHE
LYS
Atom CA of residue 86
Atom C of residue 101
GLU
Atom CA of residue 148
VAL
Atom CA of residue 47
Atom CA of residue 470
Atom CE2 of residue 64
Atom CD1 of residue 80
PRO
Atom CB of residue 91
ALA
Atom CE1 of residue 87
Atom CG of residue 146
Atom N of residue 127
SER
Atom CA of residue 537
LEU
Chain B
Atom CB of residue 9
Atom CB of residue 124
Atom CA of residue 7
Atom CD1 of residue 103
Atom CA of residue 561
Model 25
Atom CD2 of residue 103
GLU
Atom CA of residue 49
PHE
Atom CA of residue 28
Atom CE1 of residue 83
ALA
LEU
LEU
ILE
GLU
GLU
Atom CA of residue 47
GLY
Atom N of residue 73
Atom CD2 of residue 62
PRO
ILE
Atom O of residue 156
Atom CA of residue 42
Atom CA of residue 38
PHE
Atom CA of residue 527
Atom CB of residue 65
Atom CB of residue 144
SER
LYS
VAL
Atom CA of residue 76
GLN
SER
ASP
PHE
SER
Atom O of residue 13
Atom C of residue 142
Atom CA of residue 102
TRP
GLU
Atom CA of residue 116
Atom O of residue 118
Atom CG of residue 57
Atom CA of residue 2
GLY
LEU
ASN
ILE
Atom OE1 of residue 53
SER
Atom O of residue 105
Atom CA of residue 113
ASP
Atom O of residue 147
LYS
Atom CA of residue 54
Atom CA of residue 58
Atom OD1 of residue 60
Atom CA of residue 58
VAL
Atom CG of residue 118
Atom CA of residue 47
Atom O of residue 106
LEU
MET
Atom OD1 of residue 85
LEU
LYS
Atom O of residue 76
Atom CA of residue 29
Atom CA of residue 61
Atom N of residue 86
Atom OD2 of residue 86
Atom CD of residue 146
Atom CA of residue 76
ALA
GLY
1z5s_A.pdb RigidBodyHierarchy 0
ILE
Atom CH2 of residue 53
Atom N of residue 60
Atom CA of residue 55
Atom CB of residue 133
Atom CA of residue 23
Atom N of residue 42
Atom C of residue 124
Atom CG of residue 33
Atom C of residue 82
Atom CD1 of residue 65
Atom C of residue 84
Atom CD of residue 149
Atom O of residue 146
Atom CB of residue 131
Atom CA of residue 63
Atom C of residue 55
LEU
Atom CA of residue 485
Atom O of residue 60
VAL
ILE
Atom N of residue 69
LEU
ASP
Atom N of residue 64
Atom CG of residue 63
Atom CA of residue 120
TYR
P2117
Atom CA of residue 44
Atom CA of residue 3
Atom CA of residue 2659
Atom CA of residue 2
Atom CB of residue 153
Atom CA of residue 148
Atom CA of residue 554
GLU
Atom N of residue 96
Atom CA of residue 10
rigid bodies list
ASP
Atom CA of residue 97
Atom N of residue 77
Atom CE of residue 65
LEU
Atom CG of residue 84
Atom CA of residue 67
ALA
Atom CA of residue 2629
Atom ND2 of residue 60
LYS
Atom CA of residue 93
Atom N of residue 95
Atom C of residue 73
Atom CB of residue 66
LEU
Atom O of residue 47
PHE
Atom CA of residue 145
Atom CE of residue 146
PRO
Atom C of residue 76
Atom CA of residue 112
Atom CB of residue 27
Atom N of residue 32
Atom CA of residue 432
Atom CA of residue 107
Atom CA of residue 2652
LYS
Atom CG of residue 65
Atom OD2 of residue 33
Atom N of residue 87
Atom CA of residue 25
Atom CG of residue 105
Atom CG of residue 80
SER
GLY
VAL
Atom CA of residue 4
LEU
Atom CE2 of residue 66
ILE
GLU
Atom CG of residue 46
Atom N of residue 87
Atom CG of residue 111
Atom CD1 of residue 27
Atom CA of residue 68
Atom CA of residue 121
Atom CA of residue 61
Atom CB of residue 156
Atom NE2 of residue 43
LEU
Atom C of residue 8
Atom O of residue 8
Atom CZ of residue 22
Atom CA of residue 559
Atom CA of residue 23
Atom CA of residue 26
Atom CB of residue 72
Atom CG2 of residue 92
Atom CA of residue 131
Atom CA of residue 106
Atom NE1 of residue 16
Atom O of residue 101
Atom N of residue 27
LEU
Atom NE2 of residue 83
Atom CA of residue 33
ALA
ILE
VAL
Atom C of residue 29
ILE
Atom CG of residue 59
Atom CA of residue 19
Atom OH of residue 87
GLY
Atom CA of residue 98
Atom CA of residue 152
Atom CA of residue 538
Atom N of residue 137
Atom CB of residue 105
GLU
Atom C of residue 52
Atom CA of residue 2665
Atom CD2 of residue 103
Atom CG of residue 11
GLY
GLN
Atom CA of residue 26
Atom N of residue 134
GLU
Atom CB of residue 113
ARG
Atom CA of residue 445
Atom CA of residue 440
Atom NZ of residue 146
Atom N of residue 63
Atom CA of residue 72
Atom CA of residue 131
1z5s_C.pdb
Atom CB of residue 12
Atom CB of residue 64
Atom SG of residue 138
Atom N of residue 34
Atom OE1 of residue 93
Atom N of residue 54
PHE
Atom CB of residue 72
Atom CA of residue 11
Atom C of residue 91
AccumulateRigidBodyDerivatives1
Atom OD1 of residue 33
Atom CG2 of residue 109
Atom O of residue 151
ASP
Atom CA of residue 524
Atom CD2 of residue 38
Atom O of residue 142
1z5s_C1.pdb RigidBodyHierarchy 0
Atom CB of residue 109
Atom CZ of residue 87
Atom CA of residue 15
Atom CA of residue 495
Atom CZ of residue 13
GLY
Atom NE2 of residue 53
Atom C of residue 42
Atom O of residue 8
Atom CA of residue 91
Atom CA of residue 27
Atom CD of residue 80
ASN
1z5s_D.pdb
GLY
Atom CA of residue 12
Atom O of residue 111
Atom CD1 of residue 44
Atom NE2 of residue 94
Atom CG of residue 66
ASP
Atom CA of residue 43
LEU
Atom O of residue 35
Atom CD of residue 111
Atom CA of residue 93
Atom CG1 of residue 27
GLU
Atom CA of residue 119
ILE
Atom OE1 of residue 11
Atom CA of residue 136
Atom CA of residue 475
Atom CA of residue 45
Atom CA of residue 476
Atom CA of residue 27
Atom CD of residue 84
Atom CA of residue 562
Atom CA of residue 49
Atom CA of residue 506
Atom CB of residue 106
Atom CA of residue 17
Atom CD2 of residue 65
Atom CZ of residue 64
Atom CG2 of residue 135
Atom CA of residue 102
LEU
Atom N of residue 14
VAL
ALA
PHE
Atom CA of residue 78
VAL
GLU
ALA
SER
Atom CA of residue 2688
LEU
ALA
Atom CD of residue 105
Atom CA of residue 34
CYS
Atom CA of residue 573
LYS
Atom C of residue 87
Atom CG1 of residue 109
Atom CA of residue 9
Atom SD of residue 59
Atom CA of residue 117
Atom CA of residue 42
Atom O of residue 106
LYS
Atom CA of residue 514
Atom N of residue 44
Atom CA of residue 114
Atom O of residue 52
Atom CA of residue 64
Atom CB of residue 120
GLU
Atom CA of residue 2659
Atom CA of residue 2642
Atom N of residue 61
UnaryFunction1
LYS
Atom CG of residue 113
Atom CA of residue 13
Atom CA of residue 96
Atom CZ of residue 66
PRO
LEU
Atom CA of residue 140
Atom N of residue 3
Atom CA of residue 566
Atom NH1 of residue 8
Atom C of residue 131
SER
Atom C of residue 121
Atom C of residue 83
Atom CA of residue 43
Atom CA of residue 88
LEU
Atom N of residue 13
Atom N of residue 23
Atom C of residue 23
Atom CA of residue 87
Atom CA of residue 54
Atom CE1 of residue 137
Atom C of residue 32
Atom N of residue 154
Atom CA of residue 48
Atom CA of residue 90
ALA
Atom CA of residue 117
Atom CA of residue 2666
GLY
VAL
LEU
CYS
Atom N of residue 28
GLY
Atom C of residue 152
ILE
Atom CG of residue 12
TYR
Atom C of residue 150
Atom CZ of residue 141
ASP
Atom OE2 of residue 93
Atom CD of residue 101
Atom N of residue 93
Atom CE2 of residue 16
ILE
Atom CA of residue 29
VAL
Atom CB of residue 88
Atom CB of residue 151
Atom CA of residue 463
Atom CA of residue 130
Atom CA of residue 22
Atom CA of residue 44
Atom O of residue 87
Atom CB of residue 16
PHE
Atom CA of residue 96
Atom OE1 of residue 79
Atom C of residue 39
Atom CA of residue 48
GLU
THR
Atom NZ of residue 74
THR
Atom CG of residue 64
ILE
Atom N of residue 139
SER
THR
Atom NE of residue 104
Atom N of residue 73
Atom CD of residue 11
Atom CB of residue 73
Atom N of residue 12
SER
PRO
GLN
Atom O of residue 65
LYS
Atom N of residue 65
Atom CA of residue 132
Atom CA of residue 528
SER
ILE
Atom CA of residue 103
Atom CA of residue 60
Atom CA of residue 86
Atom CB of residue 35
GLY
LEU
Atom CG of residue 126
Atom CG of residue 154
Atom CA of residue 108
CYS
Atom CA of residue 448
GLY
Atom C of residue 11
Atom CB of residue 149
Atom CA of residue 496
CYS
Atom CD1 of residue 109
Atom CA of residue 525
Atom CD1 of residue 66
MET
LYS
Atom CA of residue 59
GLU
Atom CA of residue 59
PHE
Atom CZ of residue 137
Atom CA of residue 56
LYS
Atom CA of residue 149
Atom CB of residue 144
Atom N of residue 6
LYS
VAL
Atom O of residue 42
ARG
Atom CG of residue 120
Atom CA of residue 560
Atom CA of residue 27
Atom CA of residue 514
LYS
ILE
Atom CA of residue 13
Atom CG of residue 63
Atom CB of residue 111
Atom CD2 of residue 44
GLN
Atom C of residue 40
Atom C of residue 22
Atom CA of residue 64
Atom CA of residue 84
ILE
Atom CB of residue 35
Atom O of residue 28
Atom CB of residue 106
Atom CA of residue 50
LYS
Atom OE1 of residue 111
PRO
Atom CB of residue 13
Atom CA of residue 515
Atom CA of residue 31
LEU
Atom CA of residue 32
Atom CB of residue 54
PRO
Atom CA of residue 43
Atom OG of residue 89
Atom CA of residue 107
Atom CB of residue 58
Atom O of residue 23
Atom CA of residue 65
Atom CG of residue 73
Atom CB of residue 18
Atom CE2 of residue 137
Atom N of residue 67
Atom CA of residue 539
GLY
GLN
TYR
Atom N of residue 136
Atom CG of residue 35
Atom CG2 of residue 109
Atom CA of residue 121
Atom C of residue 42
Atom CA of residue 71
Atom O of residue 150
Atom CA of residue 555
CYS
LYS
Atom CD1 of residue 71
Atom CA of residue 15
ALA
Atom OE1 of residue 29
Atom CA of residue 71
ALA
Atom CE of residue 59
PHE
ASN
Atom CA of residue 113
Atom CA of residue 94
TYR
Atom CA of residue 469
Atom CA of residue 43
Atom CG of residue 46
Atom CA of residue 31
Atom CA of residue 26
ARG
THR
LEU
SER
LYS
Atom CA of residue 62
Atom CB of residue 65
TYR
Atom N of residue 56
Atom OH of residue 91
Atom CA of residue 72
Atom CA of residue 441
Atom CB of residue 45
Atom OH of residue 137
Atom CA of residue 94
Atom CA of residue 517
Atom O of residue 83
Atom CA of residue 125
Atom CA of residue 95
Atom O of residue 32
Atom CA of residue 46
Atom NH1 of residue 141
Atom O of residue 2
Atom CA of residue 32
Atom CA of residue 486
Atom CA of residue 39
Atom CA of residue 67
Atom CG of residue 149
GLN
ALA
Atom CA of residue 59
ILE
ASP
Atom CA of residue 507
LEU
Atom CA of residue 461
THR
LEU
LEU
Atom CD1 of residue 45
ILE
PRO
SER
GLY
Atom CG1 of residue 45
Atom CA of residue 62
Atom O of residue 39
TYR
Atom CG of residue 144
Atom CA of residue 45
Atom CD of residue 126
Atom CD of residue 154
Atom CA of residue 68
Atom CA of residue 104
Atom O of residue 121
Atom OG1 of residue 95
Atom CE of residue 101
Atom NE2 of residue 29
Atom CA of residue 107
Atom CA of residue 60
Atom CA of residue 574
Atom CA of residue 42
Atom CE of residue 25
Atom C of residue 73
Atom C of residue 132
Atom O of residue 22
Atom O of residue 86
Atom CA of residue 68
Atom OE1 of residue 42
Atom CA of residue 81
Atom CG of residue 16
ILE
Atom OE2 of residue 79
Atom CA of residue 49
LYS
Atom CB of residue 118
ARG
Atom C of residue 37
Atom C of residue 107
Atom CA of residue 149
THR
Atom CA of residue 446
Atom CZ of residue 104
Atom CA of residue 515
Atom O of residue 32
Atom CA of residue 2653
Atom CA of residue 28
Atom CA of residue 97
Atom CB of residue 87
LYS
Atom CA of residue 9
GLN
Atom CA of residue 567
ARG
Atom C of residue 71
PHE
Atom CA of residue 97
Atom C of residue 135
Atom O of residue 40
Atom O of residue 78
Atom CD1 of residue 120
Atom C of residue 27
Atom CA of residue 87
Atom N of residue 152
GLU
PRO
Atom CA of residue 19
ASP
Atom N of residue 21
Atom CD1 of residue 63
Atom CE3 of residue 103
Atom CA of residue 91
Atom CB of residue 142
Atom CA of residue 2667
Atom N of residue 154
Atom CA of residue 18
ASP
Atom C of residue 84
Atom CA of residue 51
Atom CA of residue 25
GLY
Chain D
Atom CA of residue 84
SER
Atom CG of residue 54
Atom NE2 of residue 111
Atom CG of residue 58
Atom CA of residue 2643
Atom CD of residue 73
Atom CA of residue 14
THR
CYS
Atom CA of residue 563
1z5s_B.pdb
Atom CD1 of residue 53
GLN
Atom N of residue 141
Atom CB of residue 32
Atom CD of residue 46
LEU
Atom CA of residue 517
Atom CA of residue 79
Atom N of residue 19
Atom CE2 of residue 91
Atom CA of residue 540
Atom CG of residue 20
Atom CA of residue 2689
Atom O of residue 50
Atom CA of residue 32
Atom CA of residue 103
LEU
Atom CA of residue 39
Atom CB of residue 28
Atom CG of residue 47
Atom CA of residue 135
GLY
Atom C of residue 35
Atom C of residue 68
Atom C of residue 43
Atom C of residue 31
ILE
Atom N of residue 72
Atom CA of residue 442
Atom CA of residue 118
Atom CA of residue 497
LYS
Atom N of residue 106
Atom CA of residue 496
Atom CA of residue 115
Atom O of residue 132
GLY
Atom CD2 of residue 137
Atom CA of residue 5
Atom CA of residue 7
Atom OD1 of residue 127
Atom CA of residue 2661
Atom CA of residue 526
Atom CB of residue 40
Atom OH of residue 21
LYS
Atom C of residue 32
Atom O of residue 37
VAL
ARG
Atom C of residue 39
Chain B
Atom CA of residue 88
Atom CG of residue 30
MET
ASP
GLY
GLU
Atom CD of residue 54
1z5s_B.pdb
Atom NZ of residue 25
Atom O of residue 73
Atom CA of residue 2667
Atom CA of residue 87
Atom CA of residue 45
Atom CD of residue 132
Atom CG of residue 45
Atom N of residue 138
Atom CA of residue 85
ARG
LYS
Atom CA of residue 50
Atom CA of residue 66
Atom CG of residue 19
Atom CB of residue 145
Atom OE2 of residue 12
Atom CA of residue 449
Atom CB of residue 78
Atom N of residue 102
Atom C of residue 104
Atom O of residue 107
Atom CB of residue 59
Atom CD2 of residue 68
LYS
THR
Atom CA of residue 81
Atom O of residue 30
Atom CA of residue 15
ARG
Atom CZ2 of residue 103
GLU
Atom CA of residue 476
Atom CG1 of residue 142
Atom CA of residue 45
Atom CA of residue 477
LYS
Atom CA of residue 80
GLY
Atom CA of residue 432
Atom CA of residue 49
ASP
THR
Atom CA of residue 107
MET
Atom CA of residue 464
Atom OE1 of residue 67
ASP
LEU
ASP
Atom N of residue 30
GLN
PHE
Atom CB of residue 32
Atom CA of residue 444
PRO
LEU
Atom CB of residue 86
Atom CA of residue 104
Atom CA of residue 87
Atom OE2 of residue 42
Atom OE1 of residue 94
Atom CA of residue 36
TYR
Atom CA of residue 10
Atom C of residue 7
Atom CB of residue 95
PHE
Atom OD2 of residue 127
Atom CG of residue 118
ARG
GLU
ASP
ASN
Atom CD of residue 30
Atom C of residue 87
THR
ALA
Atom CA of residue 114
Atom CA of residue 109
Atom CZ2 of residue 53
Atom CA of residue 44
ASN
ILE
Atom OE1 of residue 132
Atom O of residue 33
Atom CA of residue 32
SER
GLU
Atom CD2 of residue 21
Atom CA of residue 36
Atom CA of residue 2631
Atom O of residue 135
Atom NE of residue 61
Atom CA of residue 61
Atom OD2 of residue 66
Atom O of residue 34
SER
Atom CA of residue 91
Atom O of residue 27
Atom CA of residue 150
LEU
Atom CZ of residue 91
ALA
Atom CA of residue 72
TYR
Atom CB of residue 50
Atom CA of residue 65
Atom O of residue 88
PHE
Atom CA of residue 561
GLU
Atom O of residue 92
ILE
Atom CA of residue 127
Atom CD1 of residue 47
LEU
Atom CA of residue 95
Atom N of residue 22
LEU
Atom N of residue 112
Atom OE2 of residue 67
Atom O of residue 39
Atom CA of residue 30
GLU
Atom CA of residue 57
ASN
GLU
Atom CA of residue 20
Atom OE1 of residue 54
Atom ND1 of residue 20
TYR
Atom CE1 of residue 137
Atom CD2 of residue 53
Atom CD2 of residue 77
Atom C of residue 85
THR
Atom C of residue 139
Atom OG of residue 32
THR
Atom CA of residue 529
VAL
Atom CA of residue 5
ASP
Atom CA of residue 150
Atom CA of residue 60
Atom CA of residue 136
ALA
Atom CB of residue 43
Atom CA of residue 33
Atom OE1 of residue 94
VAL
SER
Atom O of residue 112
Atom CA of residue 2658
Atom CG2 of residue 136
Atom CA of residue 114
Atom CA of residue 136
MET
Atom OD1 of residue 19
PRO
Atom CZ of residue 61
Atom CH2 of residue 41
Atom C of residue 61
P2115
Atom CA of residue 27
LYS
Atom CA of residue 100
Atom CA of residue 60
Atom N of residue 80
ALA
GLU
GLU
VAL
Atom CA of residue 488
Atom O of residue 116
Atom CA of residue 26
Atom C of residue 45
GLU
Atom CA of residue 511
GLY
Atom OG of residue 95
Atom SG of residue 43
VAL
Atom ND2 of residue 85
Atom CA of residue 527
Atom CA of residue 9
Atom CB of residue 53
Atom CA of residue 64
Atom CA of residue 102
Atom CA of residue 60
Atom CG of residue 59
Atom CA of residue 52
Atom C of residue 81
Atom CA of residue 95
Atom CA of residue 76
ListSingletonContainer1
Atom CA of residue 47
Atom CG2 of residue 142
PRO
Atom CB of residue 154
Atom C of residue 33
LEU
ARG
Atom CA of residue 15
Atom O of residue 82
Atom CA of residue 508
Atom CA of residue 462
Atom CA of residue 63
Atom C of residue 107
SER
VAL
Atom N of residue 5
THR
Atom CE1 of residue 68
HIS
Atom CA of residue 122
ALA
ILE
Atom CB of residue 30
Atom N of residue 151
Atom CA of residue 46
Atom CA of residue 16
VAL
Atom CG of residue 84
Atom CZ3 of residue 103
LYS
Atom NE2 of residue 139
Atom CA of residue 154
Atom CE1 of residue 82
Atom CA of residue 140
Atom CA of residue 66
Atom CB of residue 92
Atom CB of residue 33
Atom OE2 of residue 33
LYS
Atom CG1 of residue 26
Atom CA of residue 575
ILE
Atom CA of residue 541
Atom C of residue 156
Atom C of residue 41
/scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/input/1f7dA00_8.mrc
Atom CA of residue 69
Atom CA of residue 443
VAL
SER
Atom CA of residue 108
Atom CB of residue 27
Atom CA of residue 50
NullModifier0
Atom CA of residue 64
Atom CA of residue 95
Atom CA of residue 129
Atom O of residue 134
Atom CZ3 of residue 53
Atom CA of residue 119
Atom CA of residue 29
Atom CA of residue 49
Atom N of residue 4
Atom CA of residue 556
PHE
CYS
Atom CA of residue 83
Atom CA of residue 2654
ASP
Atom CA of residue 559
Atom CA of residue 99
Atom CA of residue 67
Atom CE of residue 30
LEU
Atom CA of residue 568
ALA
Atom C of residue 76
Atom CA of residue 41
Atom CA of residue 516
VAL
Atom CB of residue 112
Chain D
Atom C of residue 66
THR
GLU
Atom OE2 of residue 132
Atom NZ of residue 14
Atom CB of residue 57
GLY
Atom C of residue 95
Atom CA of residue 2668
Atom CG of residue 53
Atom C of residue 21
Atom N of residue 67
UpdateRigidBodyMembers10
THR
Atom CA of residue 21
Atom O of residue 19
Atom C of residue 100
GLY
Atom N of residue 34
Atom CE2 of residue 22
LEU
TRP
Atom CA of residue 74
ILE
Atom CA of residue 477
Atom CA of residue 478
Atom O of residue 45
Atom N of residue 147
GLY
Atom NE of residue 8
Atom N of residue 53
ALA
Atom O of residue 139
LYS
VAL
Atom N of residue 68
Atom O of residue 137
LEU
Atom CA of residue 2638
LEU
Atom NZ of residue 45
Atom CB of residue 44
ILE
Atom CG of residue 154
Atom O of residue 33
P2116
PHE
Atom CA of residue 2644
Atom CB of residue 82
Atom CA of residue 513
Atom CE1 of residue 77
Atom C of residue 2
Atom CA of residue 139
Atom OD1 of residue 67
Atom N of residue 44
Atom CA of residue 28
Atom CG of residue 44
Atom CA of residue 102
Atom N of residue 42
Atom C of residue 36
HIS
LEU
Atom CA of residue 51
Atom CG of residue 43
Atom CZ of residue 87
Atom CA of residue 469
PHE
Atom C of residue 87
Atom CA of residue 36
ARG
Atom CA of residue 104
MET
ConnectivityRestraint 0
ILE
GLN
Atom CB of residue 24
Atom O of residue 87
Atom CD1 of residue 136
Atom CA of residue 4
ALA
Atom CA of residue 497
GLU
LYS
Atom CB of residue 20
Atom C of residue 77
Atom O of residue 156
Atom O of residue 41
Atom O of residue 54
Atom C of residue 64
Atom C of residue 102
Atom NE2 of residue 117
Atom ND2 of residue 124
Atom CA of residue 125
PRO
HIS
LYS
GLN
Atom CA of residue 106
LEU
Atom CA of residue 2662
ILE
Atom O of residue 89
ALA
ALA
Atom CB of residue 116
Atom CG2 of residue 26
ASP
ILE
Atom N of residue 86
Atom CG1 of residue 116
LEU
LEU
GLU
Atom CA of residue 149
Atom CA of residue 564
GLU
Atom CA of residue 72
GLU
Atom CA of residue 2668
Atom CD of residue 88
LYS
Atom CD of residue 84
Atom CB of residue 134
ASP
Atom CA of residue 46
Atom C of residue 140
Atom CE2 of residue 82
Atom N of residue 54
Atom O of residue 66
LEU
ASN
Atom NH1 of residue 54
GLU
ILE
Atom CA of residue 93
Atom O of residue 95
Atom N of residue 57
Atom CE2 of residue 134
ALA
GLN
Atom O of residue 36
LEU
TYR
LEU
Atom N of residue 46
SER
Atom O of residue 75
SER
PHE
Atom CA of residue 22
Atom N of residue 140
LEU
Atom CD1 of residue 22
Atom CA of residue 105
Atom C of residue 49
Atom CA of residue 88
Atom CG1 of residue 92
Atom CA of residue 119
Atom CA of residue 80
Atom NE2 of residue 35
Atom NH2 of residue 61
Atom CA of residue 58
ARG
Atom CB of residue 4
GLN
GLN
Atom C of residue 91
Atom OD2 of residue 67
Atom CA of residue 542
Atom CA of residue 2690
LYS
Atom CD1 of residue 44
Atom CA of residue 116
Atom CA of residue 2666
CYS
Atom CD of residue 147
Atom CD of residue 45
Atom CA of residue 92
Atom CA of residue 30
Atom CA of residue 77
Atom N of residue 45
Atom C of residue 41
ASN
TRP
Atom CZ of residue 13
Atom CA of residue 18
Atom CA of residue 108
Atom CA of residue 98
Atom CG1 of residue 57
Atom CB of residue 59
Atom CA of residue 31
Atom CD of residue 53
Atom OD1 of residue 124
Atom CB of residue 137
Atom CA of residue 61
PRO
Atom CZ of residue 22
GLN
Atom CA of residue 78
Atom C of residue 54
Atom C of residue 58
Atom CA of residue 528
Atom CA of residue 66
Atom CB of residue 147
LEU
ARG
Atom CB of residue 72
Atom CA of residue 111
Atom CA of residue 498
Atom CA of residue 71
Atom O of residue 77
Atom CA of residue 120
Atom O of residue 13
Atom CA of residue 518
Atom CG of residue 89
LEU
UpdateRigidBodyMembers1
Atom CA of residue 11
Atom CD of residue 154
Atom CA of residue 116
Atom CE of residue 78
LYS
GridCPF
ASP
Atom CA of residue 53
Atom CG of residue 24
Atom CB of residue 87
THR
Atom NH2 of residue 8
Atom N of residue 148
Atom CA of residue 445
Atom CA of residue 18
GLY
Atom C of residue 28
Atom CB of residue 54
Atom CA of residue 450
Atom CB of residue 41
Atom C of residue 149
Atom CB of residue 19
Atom NE2 of residue 126
SER
Atom CA of residue 80
THR
Atom O of residue 41
VAL
ASN
ILE
Atom CG of residue 38
Atom CA of residue 465
Atom CE of residue 39
Atom OD2 of residue 102
Atom CA of residue 530
Atom CA of residue 151
Atom CA of residue 557
Atom CA of residue 115
Atom CA of residue 110
Atom CA of residue 2630
SER
Atom CG2 of residue 116
SER
Atom N of residue 46
Atom CA of residue 28
Atom O of residue 77
ASP
ILE
PHE
Atom C of residue 106
Atom O of residue 87
Atom CA of residue 23
VAL
LYS
Atom CB of residue 33
PRO
Atom CA of residue 61
Atom CA of residue 61
Atom CA of residue 99
LEU
LEU
Atom CA of residue 52
TYR
Atom CA of residue 562
VAL
THR
GLN
Atom CG2 of residue 95
Atom C of residue 143
Atom N of residue 125
Atom C of residue 21
Atom CA of residue 91
Atom CA of residue 64
LYS
LEU
Atom CB of residue 89
PRO
LYS
SER
Atom CA of residue 151
Atom N of residue 96
Atom CA of residue 29
Atom NH2 of residue 54
Atom CG2 of residue 4
Atom OE1 of residue 49
Atom CA of residue 34
Atom CB of residue 41
Atom ND2 of residue 124
Atom CZ of residue 134
AccumulateRigidBodyDerivatives10
LEU
Atom C of residue 22
Atom CG of residue 88
LEU
Atom CA of residue 123
Atom C of residue 111
Atom O of residue 46
ILE
LEU
Atom CA of residue 17
Atom CA of residue 51
Atom CA of residue 126
Atom C of residue 20
LYS
ILE
Atom CD2 of residue 75
Atom CA of residue 98
Atom CA of residue 17
Atom C of residue 95
Atom CA of residue 498
HIS
Atom CA of residue 30
GLU
Atom CD2 of residue 22
Atom CA of residue 110
Atom CA of residue 16
ASN
Atom N of residue 54
Atom N of residue 36
Atom CA of residue 27
Atom N of residue 62
VAL
Atom CA of residue 53
Atom CA of residue 96
Atom N of residue 68
Atom CG of residue 6
Atom CG of residue 59
Atom CA of residue 84
Atom CD2 of residue 44
ASN
Atom C of residue 84
ALA
Atom O of residue 149
Atom CB of residue 36
Atom CE of residue 45
Atom O of residue 71
Atom CD of residue 89
Atom CG of residue 82
Atom CA of residue 109
Atom CA of residue 97
Atom O of residue 21
Atom CD2 of residue 134
GLU
Atom CA of residue 17
LEU
Atom CA of residue 463
Atom NE1 of residue 53
CYS
Atom N of residue 40
LEU
Atom CG of residue 72
Atom CA of residue 19
Atom CA of residue 3
Atom CA of residue 96
Atom CB of residue 14
Atom CA of residue 48
LEU
Atom C of residue 29
Atom CA of residue 42
Atom CA of residue 2669
Atom CA of residue 498
Atom O of residue 23
Atom CA of residue 52
Atom CA of residue 509
Atom CD1 of residue 38
Atom O of residue 54
Atom CZ of residue 134
Atom CA of residue 26
Atom O of residue 58
Atom CA of residue 529
Atom C of residue 116
Atom CA of residue 54
Atom C of residue 53
GLU
Atom CA of residue 48
Atom C of residue 17
Atom CB of residue 25
LYS
LYS
LYS
Atom CG of residue 17
Atom CA of residue 478
Atom CG2 of residue 88
Atom CA of residue 479
Atom CA of residue 519
Atom CG of residue 74
LYS
Atom CA of residue 20
Atom CA of residue 576
GLU
LEU
Atom NZ of residue 78
Atom CG of residue 72
ARG
ALA
Atom OE1 of residue 84
GLY
PHE
Atom CA of residue 81
GLN
LYS
Atom CA of residue 98
Atom CA of residue 2691
LYS
Atom CG of residue 41
LEU
Atom SD of residue 82
Atom CA of residue 50
ASN
Atom CA of residue 543
Atom N of residue 103
Atom CA of residue 25
Atom O of residue 94
Atom N of residue 69
Atom CA of residue 70
LYS
PRO
ARG
Atom CB of residue 31
Atom CA of residue 59
Atom CA of residue 569
Atom CD of residue 46
ASP
Atom CA of residue 2660
Atom C of residue 6
GLY
PHE
Atom CB of residue 8
Atom CA of residue 487
Atom CA of residue 565
Atom CD1 of residue 96
Atom CE1 of residue 75
Atom CB of residue 77
Atom N of residue 100
Atom CA of residue 118
Atom N of residue 37
Atom O of residue 95
Atom CA of residue 562
Atom CD1 of residue 64
LYS
Atom CA of residue 105
Atom CA of residue 79
Atom CZ of residue 24
Atom O of residue 91
Atom CA of residue 100
Atom C of residue 29
Atom CG of residue 20
Atom OE2 of residue 12
Atom CG of residue 30
Atom CA of residue 2629
Atom CG of residue 12
Atom O of residue 143
LYS
GLU
Atom N of residue 107
NullModifier2
Atom CE1 of residue 75
Atom N of residue 90
Atom CE2 of residue 53
Atom CA of residue 29
Atom N of residue 20
Atom CA of residue 47
Atom CA of residue 2670
Atom CE2 of residue 58
Atom CG of residue 110
Atom CA of residue 565
PRO
Atom CA of residue 2639
Atom CA of residue 52
Atom CA of residue 48
ILE
Atom O of residue 92
ASN
Atom OE2 of residue 49
Atom N of residue 22
Atom OE2 of residue 145
Atom O of residue 29
Atom CG of residue 92
LYS
MET
SER
LEU
Atom O of residue 43
Atom C of residue 98
ASN
Atom OH of residue 134
Atom CA of residue 94
ARG
Atom CA of residue 83
PRO
PRO
Atom C of residue 110
Atom CA of residue 106
Atom CD of residue 72
Atom CA of residue 89
Atom CA of residue 567
Atom C of residue 27
Atom CA of residue 110
ILE
Atom CA of residue 12
Atom O of residue 45
ARG
ASP
1z5s_C1.pdb rigid body positions
Atom OE1 of residue 126
Atom CA of residue 71
Atom CA of residue 93
Atom CG1 of residue 71
Atom CA of residue 120
Atom CE of residue 62
THR
Atom CA of residue 117
LYS
Atom CA of residue 40
ARG
LYS
Atom C of residue 19
Atom CA of residue 63
ARG
Atom N of residue 145
ASP
GLY
GLU
LYS
Atom CA of residue 67
PHE
LYS
Atom CA of residue 36
Atom CA of residue 447
Atom CB of residue 98
GLN
Atom OD1 of residue 74
Atom CA of residue 93
ALA
LEU
Atom CE1 of residue 134
Atom CA of residue 511
Atom CA of residue 47
SER
Atom CA of residue 32
Atom C of residue 52
Atom CA of residue 67
Atom CA of residue 62
ARG
TRP
Atom CA of residue 29
PHE
Atom CA of residue 152
Atom CG1 of residue 25
Atom N of residue 79
Atom NE2 of residue 11
Atom CE of residue 46
Atom CD of residue 17
Atom CG of residue 55
Atom CA of residue 509
Atom C of residue 42
Atom N of residue 97
Atom CG of residue 77
Atom N of residue 68
Atom CB of residue 39
Atom OE2 of residue 54
ALA
Atom CA of residue 39
LYS
Atom CA of residue 144
Atom CB of residue 94
PRO
Atom C of residue 79
Atom CE1 of residue 91
Atom O of residue 17
ARG
ILE
Atom C of residue 98
Atom CA of residue 8
Atom CD2 of residue 58
VAL
Atom CD1 of residue 88
Atom CA of residue 101
Atom CA of residue 451
Atom CG2 of residue 90
Atom CA of residue 49
LEU
LYS
Atom CA of residue 2646
Atom CA of residue 101
GLY
VAL
GLY
Atom CA of residue 446
Atom CA of residue 89
Atom CB of residue 58
Atom C of residue 29
Atom NZ of residue 37
Atom CZ of residue 58
Atom N of residue 25
Atom OE2 of residue 84
GLU
Atom CA of residue 68
/scratch/nightly-build-3697/imp-SVN.r14111/modules/multifit/test/input/1f7dA00_8.mrc
ALA
normalize rigid bodies
Atom CA of residue 116
Atom CD of residue 128
Atom C of residue 69
Atom CA of residue 52
ILE
ARG
Atom CA of residue 29
Atom NE2 of residue 75
Atom CD of residue 30
Atom C of residue 93
Atom CE of residue 82
ILE
Atom O of residue 43
Atom CG of residue 85
PHE
Atom CA of residue 544
Atom CA of residue 111
Atom CA of residue 48
Atom CD of residue 110
Atom O of residue 53
ASN
Atom NE of residue 17
Atom O of residue 27
Atom C of residue 110
Atom CD of residue 20
Atom NE1 of residue 103
ASP
Atom CA of residue 66
SER
Atom CD of residue 12
LYS
Atom CA of residue 499
Atom CA of residue 62
GLY
ASP
Atom C of residue 81
Atom C of residue 39
ASP
Atom N of residue 86
GLY
Atom CA of residue 1
Atom CD2 of residue 64
Atom N of residue 131
CYS
Atom CA of residue 563
SER
Atom OD2 of residue 19
Atom CA of residue 42
LYS
THR
Atom CA of residue 148
LYS
Atom CA of residue 100
ASN
Atom CG of residue 157
Atom CD of residue 55
Atom CA of residue 530
Atom N of residue 13
Atom CA of residue 566
Atom CG of residue 117
MET
Atom CG of residue 39
ASP
MET
Atom CA of residue 4
Atom CE3 of residue 53
Atom CG of residue 89
Atom CD2 of residue 120
Atom CA of residue 77
Atom CB of residue 87
Atom OE1 of residue 117
Atom OG1 of residue 29
Atom CG of residue 29
Atom CA of residue 65
LEU
Atom O of residue 42
ALA
LEU
Atom N of residue 63
Atom CD of residue 8
Atom CA of residue 513
Atom N of residue 119
Atom CA of residue 471
1z5s_D.pdb
Atom N of residue 135
SER
GLN
Atom CA of residue 31
VAL
ARG
Atom CA of residue 69
Atom CA of residue 71
Atom C of residue 63
Atom CD of residue 70
Atom N of residue 129
Atom CA of residue 20
Atom O of residue 98
Atom CB of residue 45
Atom CA of residue 85
Atom CA of residue 466
Atom CA of residue 24
Atom O of residue 55
LEU
Atom CA of residue 128
ALA
Atom O of residue 62
Atom CB of residue 29
Atom N of residue 48
Atom O of residue 5
Atom CB of residue 43
GLY
PRO
Atom CA of residue 29
GLY
PRO
Atom CA of residue 141
Atom O of residue 20
GLN
Atom CA of residue 31
GLN
Atom CB of residue 31
GLU
Atom CA of residue 77
LYS
Atom CG of residue 98
Atom CD1 of residue 77
TYR
Atom O of residue 95
Atom CA of residue 43
Atom CA of residue 62
Atom CA of residue 101
Atom CA of residue 110
Atom CA of residue 97
Atom N of residue 55
Atom N of residue 40
Atom C of residue 144
ASP
Atom N of residue 77
Atom CA of residue 49
Atom CA of residue 112
ILE
Atom CB of residue 53
Atom CA of residue 2670
VAL
Atom CG of residue 75
Atom CA of residue 510
Atom NZ of residue 46
Atom CD of residue 12
Atom C of residue 49
Atom CA of residue 145
Atom CB of residue 43
Atom OD1 of residue 85
LEU
LEU
Atom O of residue 81
Atom C of residue 89
Atom CA of residue 37
Atom CG of residue 58
Atom N of residue 38
Atom C of residue 26
Atom CA of residue 77
Atom CA of residue 577
Atom NE of residue 70
Atom CD of residue 29
Atom CE1 of residue 58
SER
ARG
Atom CA of residue 80
Atom CG of residue 153
LEU
Atom CA of residue 72
Atom CA of residue 124
Atom CE of residue 74
Atom CA of residue 82
Atom CA of residue 51
ALA
Atom CA of residue 90
Atom CA of residue 35
GLN
Atom CA of residue 62
Atom CA of residue 148
Atom CA of residue 2692
Atom CD of residue 89
Atom N of residue 91
Atom O of residue 14
ASP
Atom CZ of residue 8
Atom N of residue 30
Atom N of residue 59
Atom CB of residue 90
Atom CB of residue 45
Atom CA of residue 489
Atom CA of residue 2640
Atom CA of residue 141
Atom CE2 of residue 103
Atom N of residue 136
Atom CB of residue 101
Atom CD of residue 157
Atom CB of residue 95
Atom O of residue 69
Atom OD1 of residue 121
Atom N of residue 36
Atom CD2 of residue 91
LEU
Atom O of residue 28
Atom CA of residue 570
THR
Atom CA of residue 97
Atom N of residue 148
Atom CA of residue 31
Atom CA of residue 121
Atom NE2 of residue 117
Atom O of residue 152
ALA
VAL
Atom CG of residue 130
Atom CZ of residue 17
Atom CG2 of residue 29
VAL
Atom CA of residue 111
ASP
Atom CA of residue 27
VAL
Atom CA of residue 96
Atom CA of residue 14
PRO
TYR
Atom SD of residue 39
Atom C of residue 121
VAL
Atom NZ of residue 59
Atom CA of residue 479
Atom CA of residue 48
Atom CA of residue 480
Atom O of residue 81
Atom CA of residue 106
Atom CB of residue 25
Atom N of residue 20
Atom CG1 of residue 87
Atom CD1 of residue 120
VAL
Atom CA of residue 92
Atom CA of residue 531
Atom CB of residue 55
Atom CZ of residue 21
MET
GLU
Atom CB of residue 142
ARG
MET
LYS
VAL
SER
Atom C of residue 20
Atom CA of residue 39
Atom C of residue 148
Atom O of residue 144
Atom N of residue 121
GLY
Atom NZ of residue 14
Atom CA of residue 76
Atom CA of residue 107
Atom C of residue 112
Atom CA of residue 90
Atom CA of residue 21
THR
Atom CA of residue 37
GLN
LYS
TRP
Atom O of residue 88
ILE
Atom CA of residue 34
Atom N of residue 109
Atom C of residue 128
Atom CD2 of residue 6
Atom CA of residue 94
Atom CB of residue 75
Atom CA of residue 17
ASN
Atom CA of residue 47
Atom N of residue 47
Atom O of residue 89
ASP
Atom C of residue 31
Atom O of residue 26
Atom CG of residue 145
GLU
Atom O of residue 63
Atom O of residue 29
ALA
Atom C of residue 9
Atom C of residue 72
PHE
GLN
Atom NE2 of residue 69
Atom CB of residue 62
Atom CA of residue 568
ASN
MET
GLY
LYS
THR
Atom CA of residue 68
Atom CA of residue 69
Atom O of residue 60
GLY
HIS
GLU
Atom CA of residue 133
LYS
Atom ND1 of residue 75
ASN
Atom N of residue 132
ALA
THR
PHE
Atom CD of residue 153
ILE
ALA
Atom CA of residue 53
Atom CA of residue 153
Atom CD1 of residue 36
LEU
MET
Atom CA of residue 2680
VAL
Atom CA of residue 86
PRO
Atom N of residue 10
ASN
Atom CB of residue 152
PRO
Atom C of residue 21
PRO
Atom CG of residue 53
Atom CA of residue 30
Atom C of residue 77
ARG
MET
Atom CZ of residue 70
TYR
Atom CH2 of residue 16
Atom CB of residue 88
Atom OG1 of residue 95
Atom C of residue 20
Atom C of residue 80
Atom CA of residue 2632
Atom CA of residue 566
ALA
Atom CA of residue 137
GLY
Atom CA of residue 432
LEU
Atom CG of residue 119
Atom CA of residue 69
Atom CA of residue 63
Atom C of residue 62
Atom CE1 of residue 64
Atom N of residue 74
CYS
Atom CA of residue 448
Atom N of residue 93
ASP
HIS
ALA
ARG
Atom CA of residue 60
Atom CA of residue 117
Atom CA of residue 547
Atom CG of residue 101
Atom C of residue 61
Atom CA of residue 2669
Atom CA of residue 78
Atom CA of residue 30
Atom CA of residue 2641
Atom CD1 of residue 9
LEU
Atom O of residue 148
Atom OE1 of residue 89
ASN
Chain B
Atom CB of residue 81
Atom CB of residue 108
Atom CD of residue 130
Atom CB of residue 54
Atom CB of residue 11
ALA
Atom CA of residue 121
Atom C of residue 111
ASN
Atom CD of residue 118
VAL
Atom C of residue 14
Atom O of residue 137
LYS
Atom CA of residue 118
ILE
ILE
Atom CA of residue 63
Atom C of residue 58
Atom CG of residue 85
Atom CA of residue 63
LEU
Atom CA of residue 41
Atom NE1 of residue 16
Atom CA of residue 2635
Atom N of residue 60
VAL
TYR
PHE
Atom C of residue 4
Atom CG1 of residue 25
LYS
Atom CA of residue 153
ILE
Atom CA of residue 43
Atom CA of residue 500
Atom CA of residue 63
Atom N of residue 94
Atom CB of residue 29
Atom CA of residue 33
Atom NH2 of residue 13
Atom C of residue 38
GLU
Atom CG1 of residue 142
Atom CA of residue 16
SER
Atom CB of residue 28
Atom CD2 of residue 36
PRO
Atom CA of residue 66
LYS
Atom CA of residue 464
Atom CG of residue 39
Atom CA of residue 67
Atom OG of residue 7
Atom O of residue 21
Atom CA of residue 20
Atom CA of residue 69
Atom CA of residue 521
Atom CB of residue 63
Atom CE1 of residue 21
Atom O of residue 72
Atom O of residue 61
Atom C of residue 22
Atom CA of residue 67
Atom CA of residue 125
GLU
Atom CD2 of residue 9
Atom C of residue 62
Atom CA of residue 37
P0
Atom C of residue 84
GLU
Atom CG of residue 42
Atom CA of residue 148
LEU
ALA
ALA
Atom CA of residue 140
Atom CA of residue 32
Atom N of residue 15
Atom C of residue 51
Atom CG2 of residue 27
Atom CG of residue 54
Atom CG of residue 53
Atom CA of residue 54
Atom CB of residue 67
Atom CA of residue 16
Atom N of residue 17
Atom CG of residue 88
Atom CA of residue 447
Atom CA of residue 136
GLU
Atom CA of residue 86
Atom CA of residue 2647
Atom CA of residue 117
ALA
Atom N of residue 89
Atom OE1 of residue 85
Atom N of residue 70
LEU
VAL
PRO
Atom CA of residue 2647
Atom CA of residue 18
Atom CA of residue 99
Atom CE2 of residue 64
GLY
ARG
Atom CG of residue 17
Atom O of residue 21
MET
Atom CE2 of residue 66
Atom CA of residue 499
Atom CA of residue 112
GLY
Atom C of residue 65
Atom CA of residue 44
Atom CA of residue 19
Atom CA of residue 71
TRP
ALA
Atom CB of residue 148
Atom N of residue 153
Atom CB of residue 60
Atom CB of residue 42
Atom CA of residue 88
GLY
ASN
ASP
Atom C of residue 48
Atom CA of residue 490
Atom CA of residue 142
VAL
Atom CG2 of residue 95
Atom C of residue 80
Atom CE of residue 48
GLU
Atom CB of residue 61
Atom CA of residue 36
Atom CA of residue 40
Atom CB of residue 21
Atom CA of residue 72
Atom C of residue 137
Atom CA of residue 111
Atom CB of residue 52
Atom CA of residue 149
Atom CA of residue 111
Atom OD2 of residue 100
Atom CA of residue 37
Atom C of residue 148
Atom CA of residue 532
LYS
LYS
VAL
Atom CG of residue 91
Atom CA of residue 14
Atom CA of residue 470
Atom CA of residue 38
GLN
Atom CA of residue 139
GLU
Atom C of residue 37
Atom N of residue 89
Atom C of residue 38
Atom O of residue 38
PRO
Atom CD of residue 85
TYR
THR
Atom CA of residue 52
Atom CA of residue 149
Atom CA of residue 70
PRO
Atom CA of residue 19
Atom CA of residue 36
Atom C of residue 11
Atom OG1 of residue 108
Atom O of residue 130
Atom C of residue 85
Model 0
ASP
Atom CG of residue 121
Atom C of residue 86
Atom NH2 of residue 63
Atom N of residue 126
Atom CE1 of residue 24
ALA
Atom CA of residue 565
LEU
Atom CA of residue 18
Atom C of residue 67
LEU
Atom O of residue 84
VAL
VAL
PRO
Atom CD of residue 39
Atom O of residue 30
Atom CA of residue 14
Atom CE of residue 14
Atom CG of residue 6
Atom O of residue 51
CYS
ARG
Atom CG of residue 67
Atom CD of residue 88
LEU
LEU
Atom CB of residue 137
Atom OE2 of residue 89
Atom CA of residue 35
Atom CA of residue 109
Atom O of residue 110
Atom CA of residue 12
Atom CG of residue 21
Atom O of residue 58
Atom CA of residue 2671
ASP
Atom C of residue 119
SER
ILE
Atom CA of residue 49
Atom CE1 of residue 134
Atom CD2 of residue 16
Atom CZ of residue 66
Atom C of residue 73
Atom CD2 of residue 80
Atom OG1 of residue 29
LYS
ILE
SER
Atom CA of residue 480
Atom CA of residue 50
Atom CA of residue 481
Atom CA of residue 2633
Atom CA of residue 567
THR
Atom NE2 of residue 139
GLY
Atom CE1 of residue 36
Atom N of residue 52
Atom CD of residue 42
Atom CA of residue 511
SER
LEU
Atom CA of residue 65
Atom CA of residue 157
Atom C of residue 51
Atom C of residue 140
Atom CA of residue 15
SER
Atom CA of residue 107
Atom CA of residue 449
Atom N of residue 32
Atom CB of residue 21
Atom CA of residue 108
Atom CA of residue 91
Atom CB of residue 36
Atom CA of residue 522
Atom CD of residue 54
Atom CD of residue 53
Atom O of residue 48
LEU
Atom CA of residue 83
LYS
Atom CG2 of residue 90
Atom CA of residue 69
Atom CA of residue 2693
Atom O of residue 86
Atom O of residue 80
Atom CA of residue 122
Atom C of residue 25
GLU
Atom OE2 of residue 33
Atom CA of residue 95
Atom CA of residue 131
Atom C of residue 71
LEU
ARG
Atom NZ of residue 23
Atom CA of residue 578
Atom CA of residue 17
Atom CD of residue 123
LYS
Atom CD of residue 17
ARG
Atom N of residue 28
Atom CA of residue 92
P2118
Atom CA of residue 122
GLY
GLN
Atom CA of residue 119
Atom CA of residue 28
Atom CA of residue 68
Atom OE2 of residue 85
Atom CE2 of residue 91
Atom O of residue 38
Atom CA of residue 19
Atom CZ of residue 64
ILE
Atom CA of residue 69
Atom N of residue 18
Atom CA of residue 154
Atom CD of residue 54
ILE
Atom O of residue 85
Atom CA of residue 64
Atom CA of residue 571
Atom CG of residue 53
LYS
GLU
ASP
THR
Atom N of residue 64
PHE
Atom CD2 of residue 119
Atom O of residue 65
Atom CA of residue 2645
Atom O of residue 67
GLY
Atom CG of residue 39
PRO
HIS
LEU
Atom O of residue 99
ASP
Atom CG of residue 42
Atom CB of residue 130
Atom NH1 of residue 61
Atom C of residue 135
Atom CG1 of residue 88
Atom CA of residue 86
PRO
Atom CA of residue 66
Atom NZ of residue 48
GLN
Atom CA of residue 70
LYS
Atom SG of residue 52
ILE
ARG
Atom N of residue 71
Atom N of residue 101
Atom O of residue 3
Atom N of residue 96
Atom CA of residue 533
Atom C of residue 14
Atom C of residue 36
Atom CB of residue 30
Atom CA of residue 22
SER
Atom O of residue 85
Atom CA of residue 68
Atom CA of residue 61
Atom O of residue 73
Atom CA of residue 118
Atom CA of residue 448
Atom N of residue 90
GLN
ALA
Atom CE2 of residue 24
TYR
Atom CD of residue 122
Atom C of residue 34
Atom O of residue 37
LYS
Atom CA of residue 31
TRP
Atom CA of residue 28
Atom N of residue 24
THR
Atom N of residue 124
Atom CA of residue 465
Atom ND2 of residue 31
Atom C of residue 147
Atom O of residue 11
LYS
Atom CA of residue 578
Atom CA of residue 31
VAL
Atom CA of residue 113
Atom OE1 of residue 130
GLU
VAL
Atom NE2 of residue 20
Atom CG of residue 64
VAL
GLU
VAL
Atom O of residue 71
GLY
HIS
Atom O of residue 51
Atom CA of residue 47
Atom CG2 of residue 4
Atom CA of residue 33
Atom CA of residue 80
HIS
Atom CA of residue 64
THR
ALA
Atom C of residue 44
normalize rigid bodies
P2119
Atom CA of residue 569
Atom CA of residue 47
Atom CA of residue 64
Atom C of residue 80
Atom CA of residue 54
Atom CA of residue 154
Atom O of residue 7
Atom CA of residue 2681
PHE
LYS
Atom CB of residue 110
ASP
Atom CA of residue 134
Atom O of residue 29
ARG
Atom O of residue 82
Atom N of residue 140
Atom CA of residue 150
Atom CB of residue 84
TRP
CYS
Atom O of residue 70
Atom C of residue 65
Atom C of residue 157
LYS
Atom CA of residue 79
Atom C of residue 28
LEU
Atom CE2 of residue 134
GLU
Atom N of residue 67
GLU
Atom CG2 of residue 88
Atom N of residue 81
Atom CB of residue 70
SER
PRO
LEU
SER
Atom CG of residue 9
Atom CA of residue 56
Atom CA of residue 545
Atom CA of residue 114
Atom CD1 of residue 91
Atom CA of residue 16
Atom N of residue 9
Atom CD of residue 76
Atom C of residue 4
Atom O of residue 98
Atom CG of residue 36
Atom CA of residue 126
Atom C of residue 155
Atom O of residue 135
Atom C of residue 86
Atom CA of residue 67
Atom CA of residue 87
TYR
Atom CB of residue 86
Atom CA of residue 19
Atom O of residue 25
Atom CG of residue 22
Atom CA of residue 34
Atom OE1 of residue 122
Atom CD1 of residue 65
ILE
Atom CA of residue 70
LEU
ASP
ASP
Atom CA of residue 143
Atom CA of residue 1
Atom CA of residue 2648
Atom CB of residue 99
Atom CD1 of residue 4
VAL
Atom CA of residue 7
LYS
Atom CG of residue 63
Atom CB of residue 99
ASN
Atom CD1 of residue 53
Atom CB of residue 7
Atom CG2 of residue 41
Atom CA of residue 140
MET
Atom N of residue 91
Atom CA of residue 501
Atom CA of residue 500
Atom CB of residue 70
python stream
GLY
Atom CA of residue 518
LYS
Atom OE1 of residue 54
Atom CB of residue 85
Atom CA of residue 442
Atom NH1 of residue 13
MET
Atom C of residue 66
PHE
Atom CA of residue 22
ILE
Atom N of residue 130
GLU
Atom O of residue 55
Atom CA of residue 512
LYS
Atom CA of residue 38
MET
Atom CE of residue 30
Atom CZ of residue 63
LEU
Atom C of residue 47
ALA
Atom C of residue 80
Atom CD1 of residue 21
Atom CA of residue 73
Atom CA of residue 95
Atom C of residue 25
ALA
Atom O of residue 80
ARG
LEU
Atom N of residue 21
GLY
Atom O of residue 34
Atom CA of residue 101
Atom CD2 of residue 65
Atom CD1 of residue 4
GLY
Atom CA of residue 523
ALA
Atom CA of residue 491
LEU
Atom CB of residue 67
Atom CA of residue 112
Atom N of residue 71
Atom CA of residue 53
Atom CA of residue 579
ASN
SER
Atom O of residue 65
Atom N of residue 32
Atom CB of residue 80
Atom O of residue 28
Atom N of residue 39
Atom CA of residue 146
HIS
SER
PRO
python stream
UpdateRigidBodyMembers0
ALA
CYS
Atom O of residue 31
Atom CA of residue 49
Atom CA of residue 2677
Atom CB of residue 29
Atom CD1 of residue 64
Atom CA of residue 34
ALA
LEU
Atom CA of residue 54
Atom CD of residue 39
Chain A
ASN
Atom CA of residue 123
Atom CE of residue 76
VAL
PHE
Atom C of residue 47
Atom O of residue 155
GLU
Atom CA of residue 572
Atom CD of residue 59
LYS
Atom CA of residue 27
Atom N of residue 52
VAL
Atom OH of residue 87
Atom CA of residue 47
Atom SG of residue 52
Atom CA of residue 2637
Atom CA of residue 65
Atom NE2 of residue 130
Atom CD of residue 69
Atom C of residue 25
Atom CA of residue 36
Atom CA of residue 40
Atom C of residue 145
Model 31
Atom CA of residue 37
Atom C of residue 134
Atom CA of residue 152
Atom CD of residue 117
Atom O of residue 75
ARG
Atom CA of residue 11
Atom CD2 of residue 91
PRO
PRO
Atom CA of residue 89
Atom CB of residue 98
Atom O of residue 44
ARG
Atom CD of residue 63
GLN
Atom CA of residue 2672
ARG
Atom CG of residue 104
Atom CD1 of residue 22
Atom CB of residue 34
LEU
PHE
Atom CB of residue 82
Atom CD of residue 145
python stream
Atom CA of residue 34
LEU
GLY
Atom OE2 of residue 20
Atom C of residue 146
Atom CA of residue 109
Atom CA of residue 564
Atom CA of residue 92
Atom CA of residue 31
Atom CA of residue 568
Atom CA of residue 570
Chain B
Atom CD1 of residue 88
P2126
Atom CA of residue 150
Atom OG of residue 70
Atom C of residue 19
Atom CA of residue 534
GLU
Atom C of residue 70
Atom CA of residue 96
Atom CD2 of residue 57
Atom CA of residue 26
Atom CA of residue 84
Atom CA of residue 546
Atom CB of residue 82
ALA
Atom C of residue 64
Atom CB of residue 91
Atom CA of residue 98
Atom CA of residue 108
Atom O of residue 25
Atom CG of residue 77
ALA
VAL
Atom CA of residue 143
Atom OE2 of residue 122
GLN
Atom C of residue 5
Atom CA of residue 123
Atom C of residue 17
Atom CZ of residue 104
Atom CA of residue 20
ALA
Atom O of residue 131
GLU
LYS
Atom CA of residue 90
Atom CE of residue 39
ARG
Atom CG of residue 86
Atom NZ of residue 30
Atom CA of residue 120
Atom CG of residue 65
HIS
Atom CA of residue 70
LEU
Atom O of residue 23
Atom CG of residue 99
Atom CD1 of residue 113
SER
Atom NH2 of residue 13
Atom CB of residue 135
Atom OE1 of residue 11
Atom N of residue 42
Atom CD of residue 104
Atom CB of residue 75
Atom CA of residue 141
Atom CG of residue 70
LEU
ILE
Atom C of residue 90
Atom NH1 of residue 63
Atom CG of residue 80
LYS
Atom CA of residue 519
Atom CA of residue 20
AccumulateRigidBodyDerivatives6
ASP
Atom CA of residue 32
Atom CB of residue 52
PRO
ASN
LYS
LEU
Atom CG of residue 33
PHE
ILE
ILE
MET
Atom CA of residue 20
Atom O of residue 49
Chain A
Atom CA of residue 481
Atom CA of residue 53
Atom CA of residue 10
Atom CA of residue 482
Atom C of residue 89
Atom O of residue 122
Atom OD1 of residue 67
Atom N of residue 153
Atom CE of residue 45
Atom CA of residue 55
Atom O of residue 50
Atom OD2 of residue 19
LEU
Atom CA of residue 2682
Atom C of residue 108
PHE
Atom N of residue 66
Atom CG of residue 28
Atom CA of residue 32
Atom CG of residue 121
Atom CA of residue 524
Atom CA of residue 18
Atom N of residue 56
Atom CA of residue 29
Atom N of residue 143
Atom CZ of residue 147
Atom CA of residue 449
GLY
ASP
PRO
GLU
Atom CA of residue 98
Atom O of residue 5
Atom CB of residue 95
Atom CA of residue 450
Atom CG of residue 66
THR
1z5s_A.pdb
Atom CA of residue 55
Atom CB of residue 80
Atom CA of residue 118
PHE
Atom C of residue 47
Atom N of residue 53
GLU
ILE
ASN
Atom CA of residue 138
Atom O of residue 128
Atom O of residue 70
GLN
GLN
Atom CA of residue 65
Chain A
Atom CA of residue 102
Atom CA of residue 130
Atom O of residue 22
Atom CA of residue 27
Atom N of residue 29
HIS
Atom CA of residue 564
Atom C of residue 27
GLU
Atom NH1 of residue 147
Atom CA of residue 79
LEU
Atom CD2 of residue 113
GLN
GLU
GLU
Atom CD1 of residue 16
Atom CE of residue 59
Atom C of residue 13
SER
Atom SD of residue 59
Atom CA of residue 151
Atom OE1 of residue 69
Atom O of residue 25
Atom CG of residue 69
SER
Atom N of residue 146
Atom O of residue 140
GLN
Atom O of residue 66
Atom NH1 of residue 104
Atom N of residue 40
Atom CA of residue 62
Atom CA of residue 155
Atom C of residue 34
Atom CG of residue 62
Atom CG of residue 91
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Atom OD1 of residue 86
Atom C of residue 31
Atom CD of residue 65
Atom CB of residue 23
Atom O of residue 115
LYS
Atom C of residue 53
ASN
Atom NE of residue 63
LEU
Atom CD of residue 77
Atom CA of residue 151
ALA
GLU
Atom CA of residue 38
Atom O of residue 111
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ILE
Atom CB of residue 58
Atom CG of residue 134
ARG
HIS
Atom OD1 of residue 33
ILE
GLU
SER
ILE
Atom CA of residue 35
Atom CG of residue 82
Atom CA of residue 68
Atom O of residue 76
Atom NH2 of residue 63
Atom O of residue 90
Atom CA of residue 43
Atom CA of residue 579
GLN
Atom CA of residue 88
Atom CA of residue 96
Atom CA of residue 535
Atom CA of residue 97
GLU
Atom CB of residue 24
Atom CA of residue 22
Atom OD1 of residue 121
Atom N of residue 58
CAlphaPDBSelector9
Atom CB of residue 38
PRO
LYS
TRP
ALA
Atom OG1 of residue 91
ASP
Atom CA of residue 48
ILE
Atom CA of residue 105
Atom CB of residue 101
1z5s_A.pdb RigidBodyHierarchy 1
Atom N of residue 23
Atom CA of residue 2649
Atom CD of residue 69
Atom CA of residue 102
ASP
Atom O of residue 17
Atom CA of residue 65
Atom CB of residue 131
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Atom CB of residue 51
Atom CA of residue 502
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ALA
Atom O of residue 47
Atom NE of residue 104
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Atom SG of residue 75
Atom N of residue 89
Atom CA of residue 115
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Atom CA of residue 466
GLN
Atom CB of residue 125
Atom CA of residue 146
Atom CD1 of residue 66
Atom CA of residue 56
normalize rigid bodies
PRO
Atom CG of residue 52
Atom CA of residue 513
AccumulateRigidBodyDerivatives0
Atom O of residue 74
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LEU
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ALA
GLU
Atom CA of residue 120
Atom CA of residue 571
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LEU
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MET
Atom CA of residue 156
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Atom CA of residue 42
Atom CA of residue 132
Atom OG of residue 95
Atom O of residue 27
Atom N of residue 63
Atom CG of residue 23
Atom OD2 of residue 67
Atom O of residue 53
Atom NZ of residue 45
Atom CA of residue 492
normalize rigid bodies
Atom CA of residue 144
Atom C of residue 118
Atom CA of residue 580
ARG
Atom N of residue 20
GLY
Atom CA of residue 22
Atom CE2 of residue 155
Atom O of residue 108
Atom OG1 of residue 76
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Atom CE2 of residue 137
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Atom CA of residue 113
GLU
ASP
Atom CD1 of residue 62
Atom C of residue 48
Atom CA of residue 2636
VAL
Atom O of residue 93
Atom CA of residue 2678
Atom N of residue 8
PRO
Atom N of residue 116
Atom CA of residue 520
Atom CA of residue 118
Atom N of residue 76
Atom CA of residue 151
Atom CG1 of residue 90
HIS
LYS
Atom C of residue 151
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Atom CD1 of residue 134
Atom CB of residue 128
Atom CE1 of residue 58
ALA
Atom CA of residue 573
PHE
Atom CG of residue 38
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Atom CB of residue 76
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Atom CA of residue 51
Atom CB of residue 22
GLY
LYS
Atom CA of residue 57
Atom CG of residue 101
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PRO
Atom CA of residue 60
Atom CA of residue 501
Atom C of residue 61
Atom CE of residue 59
ALA
GLY
Atom C of residue 38
LYS
LEU
Atom CA of residue 11
Atom CD of residue 126
Atom CB of residue 66
Atom CA of residue 443
Atom CA of residue 14
GLY
Atom NE2 of residue 69
LYS
Atom O of residue 31
Atom CA of residue 482
Atom C of residue 43
GLU
rigid bodies list
Atom CE of residue 65
Atom CA of residue 22
Atom CA of residue 483
Atom CA of residue 110
Atom CA of residue 93
SER
Atom CA of residue 153
Atom CB of residue 23
Atom CA of residue 142
GLY
Atom C of residue 96
Atom CA of residue 119
GLY
Atom CD of residue 58
Atom O of residue 68
Atom CA of residue 97
Atom CA of residue 32
Atom CD2 of residue 62
Atom CG of residue 87
PRO
Atom CG1 of residue 125
Atom C of residue 48
Atom CB of residue 93
Atom CB of residue 37
Atom C of residue 105
TYR
MET
THR
ILE
THR
TRP
Atom OE1 of residue 69
Atom CG of residue 24
Atom N of residue 48
Atom CA of residue 27
Atom CA of residue 13
Atom ND2 of residue 121
Atom CB of residue 143
GLU
Atom CD of residue 72
Atom CE1 of residue 64
LEU
Atom CA of residue 71
Atom CA of residue 109
LEU
Atom CD of residue 23
Atom CA of residue 99
Atom CA of residue 2
UpdateRigidBodyMembers4
Atom OG1 of residue 51
PHE
Atom N of residue 85
Atom O of residue 118
Atom N of residue 85
ListSingletonContainer0
PRO
GLY
LEU
Atom C of residue 93
Atom O of residue 59
Atom CB of residue 17
GLN
Atom N of residue 70
Atom CD2 of residue 24
Atom N of residue 49
Atom NH1 of residue 54
Atom CD of residue 13
LYS
Atom CA of residue 63
LEU
Atom O of residue 134
Atom CA of residue 30
ASN
Atom CG2 of residue 76
Atom C of residue 28
LYS
Atom C of residue 59
P2128
Atom OD1 of residue 100
Atom N of residue 59
Atom CA of residue 66
GLU
ASP
Atom CA of residue 2673
GLY
Atom C of residue 156
1z5s_A.pdb rigid body positions
Atom CA of residue 55
LEU
Atom C of residue 122
Atom N of residue 29
Atom C of residue 136
Atom CG of residue 54
ASP
TYR
ALA
Atom CA of residue 53
VAL
LEU
Atom CB of residue 74
Atom CZ of residue 155
Atom NZ of residue 110
Atom CA of residue 33
Atom CA of residue 570
PRO
Atom CA of residue 30
GLN
Atom OE1 of residue 79
Atom CA of residue 467
Atom O of residue 43
Atom CA of residue 536
Atom CA of residue 35
Atom CA of residue 17
ASP
Atom CA of residue 451
GLU
Atom CB of residue 22
Atom CA of residue 73
Atom CA of residue 24
Atom CA of residue 124
Atom OE2 of residue 84
Atom CA of residue 85
ILE
Atom CA of residue 121
GLY
Atom NE of residue 54
TRP
PRO
Atom CA of residue 121
PRO
Atom CH2 of residue 53
GLY
Atom CE2 of residue 58
Atom CZ of residue 137
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Atom N of residue 63
Atom CD1 of residue 38
LYS
Atom CA of residue 2683
Atom O of residue 48
Atom CA of residue 96
Atom CG of residue 78
Atom CA of residue 144
Atom O of residue 96
VAL
Atom O of residue 117
MET
Atom CA of residue 580
Atom C of residue 57
Atom CD of residue 101
ILE
AccumulateRigidBodyDerivatives2
Atom ND2 of residue 74
TYR
Atom C of residue 60
Atom CA of residue 64
Atom CA of residue 26
Atom O of residue 96
Atom CB of residue 20
Atom OD2 of residue 100
Atom CG of residue 143
LYS
TYR
1z5s_B.pdb
GLU
Atom O of residue 2
Atom O of residue 124
GLN
PHE
Atom CE3 of residue 16
GLU
Atom N of residue 58
ASN
Atom O of residue 61
VAL
Atom CA of residue 3
Atom C of residue 26
VAL
PRO
Atom OE1 of residue 126
Atom C of residue 119
PRO
Atom O of residue 22
Atom CD1 of residue 87
TYR
Atom CG2 of residue 125
Atom N of residue 73
Atom CG of residue 37
Atom NH2 of residue 54
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ALA
Atom CA of residue 86
Atom CG of residue 23
Atom CA of residue 89
GLY
HIS
Atom CB of residue 68
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ASP
GLN
ALA
Atom N of residue 112
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LEU
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Atom CD1 of residue 119
ASP
Atom O of residue 136
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GLU
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ASP
GLY
GLU
Atom CA of residue 103
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Atom N of residue 111
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ASP
Atom CA of residue 104
Atom N of residue 73
LEU
Atom CA of residue 56
ASN
HIS
Atom CA of residue 23
Atom CA of residue 22
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Atom CA of residue 572
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Atom O of residue 126
Atom CA of residue 502
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Atom CA of residue 21
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Atom O of residue 93
Atom CA of residue 444
Atom CA of residue 5
Chain A
Atom CD of residue 92
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PRO
TYR
Atom N of residue 12
Atom CA of residue 103
THR
Atom NE of residue 13
PRO
SER
Atom NE of residue 147
Atom O of residue 60
LEU
CYS
Atom CA of residue 156
Atom CA of residue 116
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Atom O of residue 25
Atom O of residue 59
Atom CG of residue 67
MET
VAL
Atom CG of residue 94
PRO
Atom CA of residue 55
MET
Atom OE1 of residue 20
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GLU
ILE
Atom CD of residue 78
TYR
Atom CA of residue 4
ASN
Atom CA of residue 128
GLU
Atom O of residue 36
Atom CA of residue 86
Atom CA of residue 109
Atom CD of residue 20
ASN
Atom O of residue 119
HIS
Atom CA of residue 68
Atom O of residue 78
NullModifier4
Atom CA of residue 493
Atom O of residue 31
Atom CA of residue 126
Atom CA of residue 152
VAL
GLU
GLN
Atom OE2 of residue 79
Atom NH1 of residue 17
Atom C of residue 96
Atom CA of residue 537
Atom CZ3 of residue 16
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Atom N of residue 95
Atom ND2 of residue 31
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Atom CZ of residue 54
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TYR
VAL
Atom O of residue 119
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ARG
Atom CA of residue 2650
TYR
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Atom CB of residue 119
GLN
Atom N of residue 75
GLN
ILE
GLU
SER
Atom CA of residue 90
Atom CA of residue 95
Atom N of residue 55
Atom CG of residue 122
Atom N of residue 101
Atom CB of residue 61
Atom CB of residue 22
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Atom CA of residue 2674
Atom CA of residue 503
ILE
Atom CA of residue 152
Atom CD2 of residue 144
Atom CA of residue 514
Atom CA of residue 97
P2124
GLY
Atom CG of residue 57
Atom CA of residue 111
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Atom CA of residue 22
SER
Atom CA of residue 85
Atom CG2 of residue 87
GLY
ASP
Atom CB of residue 126
Atom CE of residue 154
TRP
LYS
Atom O of residue 26
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VAL
Atom CA of residue 98
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Atom CA of residue 581
ALA
ILE
Atom CB of residue 22
PRO
VAL
Atom O of residue 64
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Atom CB of residue 39
Atom N of residue 55
Atom CA of residue 14
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ALA
Atom O of residue 89
TYR
Atom O of residue 49
Atom CA of residue 468
ARG
Atom C of residue 53
Atom OE1 of residue 118
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GLY
LYS
PRO
LEU
Atom CA of residue 78
Atom O of residue 60
Atom N of residue 45
Atom C of residue 75
GLY
Atom CA of residue 72
Atom CA of residue 145
Atom N of residue 150
Atom CD2 of residue 81
SER
LEU
Atom CA of residue 574
Atom CA of residue 2
LEU
GLY
Atom CA of residue 47
Atom CA of residue 134
LEU
GLU
Atom CA of residue 2679
Atom CD1 of residue 94
Atom CA of residue 150
ALA
Atom CB of residue 31
Atom C of residue 126
Atom CA of residue 143
Atom CA of residue 126
Atom CA of residue 46
Atom CA of residue 74
Atom CA of residue 12
Atom CA of residue 110
Atom CB of residue 26
Atom CA of residue 157
Atom CB of residue 92
Atom CD1 of residue 22
Atom CA of residue 10
GLU
Atom CA of residue 88
Atom CB of residue 36
Atom CA of residue 17
LYS
Atom CA of residue 70
Atom C of residue 28
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Atom CB of residue 78
SER
Atom CA of residue 137
Atom CB of residue 104
GLY
LYS
LYS
ILE
Atom CA of residue 73
Atom CB of residue 128
Atom CA of residue 8
Atom CA of residue 9
LYS
PRO
Atom CA of residue 4
Atom CB of residue 25
Atom CH2 of residue 16
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GLY
Atom CA of residue 43
Atom CA of residue 2636
ALA
Atom CA of residue 31
ASN
Atom CA of residue 25
PHE
Atom CA of residue 45
GLU
Atom CG of residue 124
Atom CA of residue 24
Atom CA of residue 33
TRP
Atom CB of residue 18
Atom CG of residue 155
TRP
Atom CA of residue 125
Atom CB of residue 75
scons: *** Error 1
multifit module unit tests FAILED
Running multifit module unit tests
scons: *** [modules/multifit/test/fast-test.results] Error 1
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/em2d/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/em2d/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/em2d/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/em2d/examples/clustering_of_pdb_models.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em2d/examples/collision_cross_section.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em2d/examples/em_images_conversion.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em2d/examples/optimize_em2d_with_montecarlo.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/em2d/examples/fast-test.results.out) > /dev/null
Run example clustering_of_pdb_models.py ... in 15.728s ... ok
Run example collision_cross_section.py ... in 1.853s ... ok
Run example em_images_conversion.py ... ok
Run example optimize_em2d_with_montecarlo.py ... in 14.970s ... ok

----------------------------------------------------------------------
Ran 4 tests in 32.631s

OK
em2d examples succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/em2d/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/em2d/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.em2d --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/em2d/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/em2d/test/test_align2d.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em2d/test/test_clustering_of_models.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em2d/test/test_collision_cross_section.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em2d/test/test_domino_filters.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em2d/test/test_em2d_restraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em2d/test/test_fft_operations.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em2d/test/test_images_opencv.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em2d/test/test_project.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em2d/test/test_projection_registration.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em2d/test/test_registration_results.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em2d/test/test_relative_mover.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em2d/test/test_rigid_bodies_image_fit.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em2d/test/test_segmentation_routines.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/em2d/test/test_selection_files.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_em2d_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/em2d/test/fast-test.results.out) > /dev/null
Test the complete alignment in 2D routine (new) ... ok
Test the rotational alignment in 2D routine (new) ... ok
Test the translational alignment in 2D routine ... ok
Test hierarchical clustering of models ... in 10.424s ... ok
Test the calculation of the collision cross section of a complex ... in 1.799s ... ok
Test filtering distances with domino ... ok
Test that an a optimization with em2d restraint is properly built ... in 8.462s ... ok
Test autocorrelation of an image using OpenCV ... ok
Test the correlation between two images using FFT ... ok
Test that extending the borders of an image is done correctly ... ok
Test that the function returns > 0 when there is overlap, and 0 ... ok
Test of polar resampling of images ... ok
Test read/write for the images using OpenCV data storage ... ok
Test of JPGReaderWriter reading ... ok
Test of TIFFReaderWriter reading ... ok
Test subtracting images ... ok
Test that the variance filter is working ... ok
Test that writing with JPGReaderWriter fails with bad extension ... ok
Test that writing with TIFFReaderWriter fails with bad extension ... ok
Test of JPGReaderWriter writing ... ok
Test of TIFFReaderWriter writing ... ok
Evenly distributed em2d image projections from a PDB file ... in 1.712s ... ok
Test the generation of noisy projections ... in 9.123s ... ok
Generation of random projection from a PDB file with em2d images ... in 1.484s ... ok
Test the registration of 3 subjects from 1gyt.pdb at 0.5 SNR ... in 90.858s ... ok
Test the generation of evenly distributed RegistrationResults ... ok
test back a forth of the Rotation in RegistrationResult class ... ok
Test the rotation error between 2 RegistrationResults classes ... ok
test the shift error between 2 RegistrationResults classes ... ok
Test the RelativePositionMover ... in 122.859s ... ok
Test scoring with RigidBodiesImageFitRestraint ... in 17.757s ... ok
Test the diffusion filtering on Nup84 class average ... in 6.432s ... ok
test the do_fill_holes_routine ... ok
test the labeling function ... ok
test the segmentation of particles from negative stained classes ... ok
Test reading selection files ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 40 tests in 274.586s

OK
em2d module unit tests succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/misc/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/misc/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/misc/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/misc/examples/decay.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/misc/examples/fast-test.results.out) > /dev/null
Run example decay.py ... in 894.808s ... ok

----------------------------------------------------------------------
Ran 1 test in 894.809s

OK
misc examples succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/misc/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/misc/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.misc --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/misc/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/misc/test/test_common_endpoint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/misc/test/test_decay.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/misc/test/test_lrps.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/misc/test/test_wlc.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_misc_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/misc/test/fast-test.results.out) > /dev/null
Test common endpoints container ... ok
Test that decay has the right halflife ... ok
Check that LowestRefinedPairScore returns the lowest ... ok
Test that the WormLikeChain values are sane ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 8 tests in 1.172s

OK
misc module unit tests succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/system/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/system/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.system --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/system/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_system_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/system/test/fast-test.results.out) > /dev/null
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 4 tests in 0.017s

OK
system module unit tests succeeded
modules/isd/src/MolecularDynamics.cpp: In member function 'virtual void IMP::isd::MolecularDynamics::assign_velocities(IMP::Float)':
modules/isd/src/MolecularDynamics.cpp:188: warning: 'sampler.boost::variate_generator >::_dist.boost::normal_distribution::_cached_rho' may be used uninitialized in this function
modules/isd/src/MolecularDynamics.cpp:188: warning: 'sampler.boost::variate_generator >::_dist.boost::normal_distribution::_r1' may be used uninitialized in this function
/scratch/nightly-build-3697/imp-SVN.r14111/build/swig/IMP_isd.i:120: Warning(303): %extend defined for an undeclared class IMP::isd::GaussianProcessInterpolationSparse.
/scratch/nightly-build-3697/imp-SVN.r14111/build/swig/IMP_isd.i:122: Warning(303): %extend defined for an undeclared class IMP::isd::GaussianProcessInterpolationRestraintSparse.
/scratch/nightly-build-3697/imp-SVN.r14111/build/include/IMP/isd/bivariate_functions.h:129: Warning(314): 'lambda' is a python keyword, renaming to '_lambda'
/scratch/nightly-build-3697/imp-SVN.r14111/build/include/IMP/isd/bivariate_functions.h:129: Warning(314): 'lambda' is a python keyword, renaming to '_lambda'
/scratch/nightly-build-3697/imp-SVN.r14111/build/include/IMP/isd/bivariate_functions.h:129: Warning(314): 'lambda' is a python keyword, renaming to '_lambda'
/scratch/nightly-build-3697/imp-SVN.r14111/build/include/IMP/isd/bivariate_functions.h:129: Warning(314): 'lambda' is a python keyword, renaming to '_lambda'
/scratch/nightly-build-3697/imp-SVN.r14111/build/include/IMP/isd/bivariate_functions.h:129: Warning(314): 'lambda' is a python keyword, renaming to '_lambda'
/scratch/nightly-build-3697/imp-SVN.r14111/build/include/IMP/isd/bivariate_functions.h:129: Warning(314): 'lambda' is a python keyword, renaming to '_lambda'
/scratch/nightly-build-3697/imp-SVN.r14111/build/include/IMP/isd/bivariate_functions.h:129: Warning(314): 'lambda' is a python keyword, renaming to '_lambda'
/scratch/nightly-build-3697/imp-SVN.r14111/build/include/IMP/isd/bivariate_functions.h:129: Warning(314): 'lambda' is a python keyword, renaming to '_lambda'
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/isd/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/examples/harmonic/demux_trajs.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/examples/harmonic/harmonic.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/examples/harmonic/shared_functions.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/examples/ubiquitin/demux_trajs.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/examples/ubiquitin/replica_exchange.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/examples/ubiquitin/shared_functions.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/examples/fast-test.results.out) > /dev/null
Run example demux_trajs.py ... ok
Run example harmonic.py ... This example needs the Python Pyro module
in 2.234s ... ok
Run example shared_functions.py ... ok
Run example demux_trajs.py ... ok
Run example replica_exchange.py ... This example needs the Python Pyro module
ok
Run example shared_functions.py ... ok

----------------------------------------------------------------------
Ran 6 tests in 2.349s

OK
isd examples succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/isd/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.isd --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_AmbiguousNOERestraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_Covariance1DFunction.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_FNormal.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolation.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumerically.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumerically.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintSparse.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationSparse.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianRestraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GeneralizedGuinierPorodFunction.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_HybridMonteCarlo.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_JeffreysRestraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_Linear1DFunction.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_LognormalRestraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_MaintainScaleOrderConstraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_MarginalHBondRestraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_MarginalNOERestraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_MolecularDynamicsMover.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_MolecularDynamicsNuisance.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_MolecularDynamicsXYZ.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_NOERestraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_Nuisance.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_NuisanceRangeModifier.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_Replica.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_RepulsiveDistancePairScore.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_Scale.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_SlidingPriorRestraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_Switching.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_TALOSRestraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_TBLReader.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_TuneRex.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_communication.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_shared_functions.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_vonMises.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_vonMisesKappaConjugateRestraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_vonMisesKappaJeffreysRestraint.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_vonMisesSufficient.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/isd_cpp_test_programs.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_isd_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/fast-test.results.out) > /dev/null
test get_input_containers ... ok
test derivative w/r to X ... ok
test derivative w/r to sigma ... ok
test derivative w/r to X ... ok
test get_input_particles ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
test if score is equal to ... ok
test if score is equal to ... ok
test if score is equal to ... ok
test if score is equal to ... ok
test if probability is equal to ... ok
test if probability is equal to ... ok
test if probability is equal to ... ok
test if probability is equal to ... ok
testAddToParticleDerivative (_test_2.TestCovariance1DFunction) ... ok
testDerivNumericLam (_test_2.TestCovariance1DFunction) ... ok
testDerivNumericTau (_test_2.TestCovariance1DFunction) ... ok
testDerivOne (_test_2.TestCovariance1DFunction) ... ok
testDerivOneSame (_test_2.TestCovariance1DFunction) ... ok
testFail (_test_2.TestCovariance1DFunction) ... ok
testGetDerivativeMatrix (_test_2.TestCovariance1DFunction) ... ok
testHessianNumericLamLam (_test_2.TestCovariance1DFunction) ... ok
testHessianNumericLamTau (_test_2.TestCovariance1DFunction) ... ok
testHessianNumericTauLam (_test_2.TestCovariance1DFunction) ... ok
testHessianNumericTauTau (_test_2.TestCovariance1DFunction) ... ok
testValue (_test_2.TestCovariance1DFunction) ... ok
testValues (_test_2.TestCovariance1DFunction) ... ok
test_has_changed (_test_2.TestCovariance1DFunction) ... ok
tests FNormal.density ... ok
tests FNormal.evaluate ... ok
tests FNormal.evaluate_derivative_FA ... ok
tests FNormal.evaluate_derivative_FM ... ok
tests FNormal.evaluate_derivative_JA ... ok
tests FNormal.evaluate_derivative_sigma ... ok
testDOFSigma (_test_4.TestGaussianProcessInterpolation2Points) ... expected failure
testOptimizedParticles (_test_4.TestGaussianProcessInterpolation2Points) ... ok
testValuePosteriorCovarianceLambda (_test_4.TestGaussianProcessInterpolation2Points) ... ok
testValuePosteriorCovarianceMatrixSigma (_test_4.TestGaussianProcessInterpolation2Points) ... ok
testValuePosteriorCovarianceSigma (_test_4.TestGaussianProcessInterpolation2Points) ... ok
testValuePosteriorCovarianceTau (_test_4.TestGaussianProcessInterpolation2Points) ... ok
testValuePosteriorMeanAlpha (_test_4.TestGaussianProcessInterpolation2Points) ... ok
testValuePosteriorMeanBeta (_test_4.TestGaussianProcessInterpolation2Points) ... ok
testValuePosteriorMeanLambda (_test_4.TestGaussianProcessInterpolation2Points) ... ok
testValuePosteriorMeanSigma (_test_4.TestGaussianProcessInterpolation2Points) ... ok
testValuePosteriorMeanTau (_test_4.TestGaussianProcessInterpolation2Points) ... ok
testValuePosteriorMeanTau2 (_test_4.TestGaussianProcessInterpolation2Points) ... ok
testCovDerivNumericG (_test_5.TestGaussianProcessInterpolationNumerically) ... ok
testCovDerivNumericLambda (_test_5.TestGaussianProcessInterpolationNumerically) ... ok
testCovDerivNumericRg (_test_5.TestGaussianProcessInterpolationNumerically) ... ok
testCovDerivNumericSigma (_test_5.TestGaussianProcessInterpolationNumerically) ... ok
testCovDerivNumericTau (_test_5.TestGaussianProcessInterpolationNumerically) ... ok
testCovHessianNumericGG (_test_5.TestGaussianProcessInterpolationNumerically) ... ok
testCovHessianNumericGLambda (_test_5.TestGaussianProcessInterpolationNumerically) ... ok
testCovHessianNumericGRg (_test_5.TestGaussianProcessInterpolationNumerically) ... ok
testCovHessianNumericGSigma (_test_5.TestGaussianProcessInterpolationNumerically) ... ok
testCovHessianNumericGTau (_test_5.TestGaussianProcessInterpolationNumerically) ... ok
testCovHessianNumericLambdaLambda (_test_5.TestGaussianProcessInterpolationNumerically) ... ok
testCovHessianNumericRgLambda (_test_5.TestGaussianProcessInterpolationNumerically) ... ok
testCovHessianNumericRgRg (_test_5.TestGaussianProcessInterpolationNumerically) ... ok
testCovHessianNumericRgSigma (_test_5.TestGaussianProcessInterpolationNumerically) ... ok
testCovHessianNumericRgTau (_test_5.TestGaussianProcessInterpolationNumerically) ... ok
testCovHessianNumericSigmaLambda (_test_5.TestGaussianProcessInterpolationNumerically) ... ok
testCovHessianNumericSigmaSigma (_test_5.TestGaussianProcessInterpolationNumerically) ... ok
testCovHessianNumericSigmaTau (_test_5.TestGaussianProcessInterpolationNumerically) ... ok
testCovHessianNumericTauLambda (_test_5.TestGaussianProcessInterpolationNumerically) ... ok
testCovHessianNumericTauTau (_test_5.TestGaussianProcessInterpolationNumerically) ... ok
testCovDerivNumericLambda (_test_6.TestGaussianProcessInterpolationNumericallyNoMean) ... ERROR
testCovDerivNumericSigma (_test_6.TestGaussianProcessInterpolationNumericallyNoMean) ... ERROR
testCovDerivNumericTau (_test_6.TestGaussianProcessInterpolationNumericallyNoMean) ... ERROR
testCovHessianNumericLambdaLambda (_test_6.TestGaussianProcessInterpolationNumericallyNoMean) ... ERROR
testCovHessianNumericSigmaLambda (_test_6.TestGaussianProcessInterpolationNumericallyNoMean) ... ERROR
testCovHessianNumericSigmaSigma (_test_6.TestGaussianProcessInterpolationNumericallyNoMean) ... ERROR
testCovHessianNumericSigmaTau (_test_6.TestGaussianProcessInterpolationNumericallyNoMean) ... ERROR
testCovHessianNumericTauLambda (_test_6.TestGaussianProcessInterpolationNumericallyNoMean) ... ERROR
testCovHessianNumericTauTau (_test_6.TestGaussianProcessInterpolationNumericallyNoMean) ... ERROR
testCovDerivNumericG (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma) ... ERROR
testCovDerivNumericLambda (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma) ... ERROR
testCovDerivNumericRg (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma) ... ERROR
testCovDerivNumericTau (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma) ... ERROR
testCovHessianNumericGG (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma) ... ERROR
testCovHessianNumericGLambda (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma) ... ERROR
testCovHessianNumericGRg (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma) ... ERROR
testCovHessianNumericGTau (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma) ... ERROR
testCovHessianNumericLambdaLambda (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma) ... ERROR
testCovHessianNumericRgLambda (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma) ... ERROR
testCovHessianNumericRgRg (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma) ... ERROR
testCovHessianNumericRgTau (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma) ... ERROR
testCovHessianNumericTauLambda (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma) ... ERROR
testCovHessianNumericTauTau (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma) ... ERROR
testDerivNumericAlpha (_test_8.TestGaussianProcessInterpolationRestraint2Points) ... ok
testDerivNumericBeta (_test_8.TestGaussianProcessInterpolationRestraint2Points) ... ok
testDerivNumericLambda (_test_8.TestGaussianProcessInterpolationRestraint2Points) ... ok
testDerivNumericSigma (_test_8.TestGaussianProcessInterpolationRestraint2Points) ... ok
testDerivNumericTau (_test_8.TestGaussianProcessInterpolationRestraint2Points) ... ok
testDerivativesAll (_test_8.TestGaussianProcessInterpolationRestraint2Points) ... ok
test derivatives by varying alpha ... ok
test derivatives by varying beta ... ok
test derivatives by varying lambda ... ok
test derivatives by varying sigma ... ok
test derivatives by varying tau ... ok
testEnergyTerms (_test_8.TestGaussianProcessInterpolationRestraint2Points) ... ok
testGetInputThings (_test_8.TestGaussianProcessInterpolationRestraint2Points) ... ok
testValueDensityAlpha (_test_8.TestGaussianProcessInterpolationRestraint2Points) ... ok
testValueDensityBeta (_test_8.TestGaussianProcessInterpolationRestraint2Points) ... ok
testValueDensityLambda (_test_8.TestGaussianProcessInterpolationRestraint2Points) ... ok
testValueDensitySigma (_test_8.TestGaussianProcessInterpolationRestraint2Points) ... ok
testValueDensityTau (_test_8.TestGaussianProcessInterpolationRestraint2Points) ... ok
testValueEnergyAll (_test_8.TestGaussianProcessInterpolationRestraint2Points) ... ok
testValueEnergyAlpha (_test_8.TestGaussianProcessInterpolationRestraint2Points) ... ok
testValueEnergyBeta (_test_8.TestGaussianProcessInterpolationRestraint2Points) ... ok
testValueEnergyLambda (_test_8.TestGaussianProcessInterpolationRestraint2Points) ... ok
testValueEnergySigma (_test_8.TestGaussianProcessInterpolationRestraint2Points) ... ok
testValueEnergyTau (_test_8.TestGaussianProcessInterpolationRestraint2Points) ... ok
testDerivNumericG (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testDerivNumericLambda (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testDerivNumericRg (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testDerivNumericSigma (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testDerivNumericTau (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testHessianNumericGG (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testHessianNumericGLambda (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testHessianNumericGRg (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testHessianNumericGSigma (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testHessianNumericGTau (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testHessianNumericLambdaLambda (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testHessianNumericLambdaRg (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testHessianNumericRgG (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testHessianNumericRgLambda (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testHessianNumericRgRg (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testHessianNumericRgSigma (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testHessianNumericRgTau (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testHessianNumericSigmaLambda (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testHessianNumericSigmaSigma (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testHessianNumericSigmaTau (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testHessianNumericTauLambda (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testHessianNumericTauTau (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ok
testHessianSymmetry (_test_9.TestGaussianProcessInterpolationRestraintNumerically) ... ERROR
test if the scorestate works ... ok
testDerivNumericLambda (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM) ... ERROR
testDerivNumericSigma (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM) ... ERROR
testDerivNumericTau (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM) ... ERROR
testHessianNumericLambdaLambda (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM) ... ERROR
testHessianNumericSigmaLambda (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM) ... ERROR
testHessianNumericSigmaSigma (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM) ... ERROR
testHessianNumericSigmaTau (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM) ... ERROR
testHessianNumericTauLambda (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM) ... ERROR
testHessianNumericTauTau (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM) ... ERROR
testDerivNumericG (_test_11.TestGaussianProcessInterpolationRestraintNumerically) ... ERROR
testDerivNumericLambda (_test_11.TestGaussianProcessInterpolationRestraintNumerically) ... ERROR
testDerivNumericRg (_test_11.TestGaussianProcessInterpolationRestraintNumerically) ... ERROR
testDerivNumericTau (_test_11.TestGaussianProcessInterpolationRestraintNumerically) ... ERROR
testHessianNumericGG (_test_11.TestGaussianProcessInterpolationRestraintNumerically) ... ERROR
testHessianNumericGLambda (_test_11.TestGaussianProcessInterpolationRestraintNumerically) ... ERROR
testHessianNumericGRg (_test_11.TestGaussianProcessInterpolationRestraintNumerically) ... ERROR
testHessianNumericGTau (_test_11.TestGaussianProcessInterpolationRestraintNumerically) ... ERROR
testHessianNumericLambdaLambda (_test_11.TestGaussianProcessInterpolationRestraintNumerically) ... ERROR
testHessianNumericLambdaRg (_test_11.TestGaussianProcessInterpolationRestraintNumerically) ... ERROR
testHessianNumericRgG (_test_11.TestGaussianProcessInterpolationRestraintNumerically) ... ERROR
testHessianNumericRgLambda (_test_11.TestGaussianProcessInterpolationRestraintNumerically) ... ERROR
testHessianNumericRgRg (_test_11.TestGaussianProcessInterpolationRestraintNumerically) ... ERROR
testHessianNumericRgTau (_test_11.TestGaussianProcessInterpolationRestraintNumerically) ... ERROR
testHessianNumericTauLambda (_test_11.TestGaussianProcessInterpolationRestraintNumerically) ... ERROR
testHessianNumericTauTau (_test_11.TestGaussianProcessInterpolationRestraintNumerically) ... ERROR
test derivatives by varying alpha ... skipped 'IMP not built with CHOLMOD'
test derivatives by varying beta ... skipped 'IMP not built with CHOLMOD'
test derivatives by varying lambda ... skipped 'IMP not built with CHOLMOD'
test derivatives by varying tau ... skipped 'IMP not built with CHOLMOD'
testValueDensityAlpha (_test_12.TestGaussianProcessInterpolationRestraint2Points) ... skipped 'IMP not built with CHOLMOD'
testValueDensityBeta (_test_12.TestGaussianProcessInterpolationRestraint2Points) ... skipped 'IMP not built with CHOLMOD'
testValueDensityLambda (_test_12.TestGaussianProcessInterpolationRestraint2Points) ... skipped 'IMP not built with CHOLMOD'
testValueDensityTau (_test_12.TestGaussianProcessInterpolationRestraint2Points) ... skipped 'IMP not built with CHOLMOD'
testValueEnergyAll (_test_12.TestGaussianProcessInterpolationRestraint2Points) ... skipped 'IMP not built with CHOLMOD'
testValueEnergyAlpha (_test_12.TestGaussianProcessInterpolationRestraint2Points) ... skipped 'IMP not built with CHOLMOD'
testValueEnergyBeta (_test_12.TestGaussianProcessInterpolationRestraint2Points) ... skipped 'IMP not built with CHOLMOD'
testValueEnergyLambda (_test_12.TestGaussianProcessInterpolationRestraint2Points) ... skipped 'IMP not built with CHOLMOD'
testValueEnergyTau (_test_12.TestGaussianProcessInterpolationRestraint2Points) ... skipped 'IMP not built with CHOLMOD'
testValuePosteriorCovarianceLambda (_test_13.TestGaussianProcessInterpolation2Points) ... skipped 'IMP not built with CHOLMOD'
testValuePosteriorCovarianceSigma (_test_13.TestGaussianProcessInterpolation2Points) ... skipped 'IMP not built with CHOLMOD'
testValuePosteriorCovarianceTau (_test_13.TestGaussianProcessInterpolation2Points) ... skipped 'IMP not built with CHOLMOD'
testValuePosteriorMeanAlpha (_test_13.TestGaussianProcessInterpolation2Points) ... skipped 'IMP not built with CHOLMOD'
testValuePosteriorMeanBeta (_test_13.TestGaussianProcessInterpolation2Points) ... skipped 'IMP not built with CHOLMOD'
testValuePosteriorMeanLambda (_test_13.TestGaussianProcessInterpolation2Points) ... skipped 'IMP not built with CHOLMOD'
testValuePosteriorMeanSigma (_test_13.TestGaussianProcessInterpolation2Points) ... skipped 'IMP not built with CHOLMOD'
testValuePosteriorMeanTau (_test_13.TestGaussianProcessInterpolation2Points) ... skipped 'IMP not built with CHOLMOD'
testValuePosteriorMeanTau2 (_test_13.TestGaussianProcessInterpolation2Points) ... skipped 'IMP not built with CHOLMOD'
testE (_test_14.TestGaussianRestraintSimple11) ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
testdsigma (_test_14.TestGaussianRestraintSimple11) ... ok
testE (_test_14.TestGaussianRestraintSimple12) ... ok
test if score is -log(prob) ... FAIL
test if prob is exp(-score) ... ok
testdmu (_test_14.TestGaussianRestraintSimple12) ... ok
testE (_test_14.TestGaussianRestraintSimple13) ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
testdx (_test_14.TestGaussianRestraintSimple13) ... ok
testE (_test_14.TestGaussianRestraintSimple21) ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
testdmu (_test_14.TestGaussianRestraintSimple21) ... ok
testdx (_test_14.TestGaussianRestraintSimple21) ... ok
testE (_test_14.TestGaussianRestraintSimple22) ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
testdsigma (_test_14.TestGaussianRestraintSimple22) ... ok
testdx (_test_14.TestGaussianRestraintSimple22) ... ok
testE (_test_14.TestGaussianRestraintSimple23) ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
testdmu (_test_14.TestGaussianRestraintSimple23) ... ok
testdsigma (_test_14.TestGaussianRestraintSimple23) ... ok
testE (_test_14.TestGaussianRestraintSimple3) ... ok
testFail (_test_14.TestGaussianRestraintSimple3) ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
testdmu (_test_14.TestGaussianRestraintSimple3) ... ok
testdsigma (_test_14.TestGaussianRestraintSimple3) ... ok
testdx (_test_14.TestGaussianRestraintSimple3) ... ok
testAddToParticleDerivative (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testDerivMult (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testDerivNumericA (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testDerivNumericG (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testDerivNumericRg (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testDerivNumericd (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testDerivNumerics (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testDerivOne (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testGetDerivativeMatrix (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testHessianNumericA (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testHessianNumericGG (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testHessianNumericGRg (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testHessianNumericGd (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testHessianNumericGs (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testHessianNumericRgG (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testHessianNumericRgRg (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testHessianNumericRgd (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testHessianNumericRgs (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testHessianNumericdd (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testHessianNumericds (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testHessianNumericss (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testValue (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
testValues (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
test_has_changed (_test_15.TestGeneralizedGuinierPorodFunction) ... ok
test ensemble averages ... FAIL
in 3.136s ... test ensemble averages against the standard Monte Carlo ... FAIL
in 3.885s ... test that the HMC moves the particles ... ok
testContainers (_test_17.TestJeffreysRestraint) ... ok
test the derivative of the restraint ... ok
raise ValueError if negative ... ok
raise ValueError if negative ... ok
raise ValueError if zero ... ok
raise ValueError if zero ... ok
testParticles (_test_17.TestJeffreysRestraint) ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
test if score is log(scale) ... ok
test if probability is 1/scale ... ok
testAddToParticleDerivative (_test_18.TestLinear1DFunction) ... ok
testDerivMult (_test_18.TestLinear1DFunction) ... ok
testDerivNumericAlpha (_test_18.TestLinear1DFunction) ... ok
testDerivNumericBeta (_test_18.TestLinear1DFunction) ... ok
testDerivOne (_test_18.TestLinear1DFunction) ... ok
testGetDerivativeMatrix (_test_18.TestLinear1DFunction) ... ok
testValue (_test_18.TestLinear1DFunction) ... ok
testValues (_test_18.TestLinear1DFunction) ... ok
test_has_changed (_test_18.TestLinear1DFunction) ... ok
testE (_test_19.TestLognormalRestraintSimple11) ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
testdsigma (_test_19.TestLognormalRestraintSimple11) ... ok
testE (_test_19.TestLognormalRestraintSimple12) ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
testdmu (_test_19.TestLognormalRestraintSimple12) ... ok
testE (_test_19.TestLognormalRestraintSimple13) ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
testdx (_test_19.TestLognormalRestraintSimple13) ... ok
testE (_test_19.TestLognormalRestraintSimple21) ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
testdmu (_test_19.TestLognormalRestraintSimple21) ... ok
testdx (_test_19.TestLognormalRestraintSimple21) ... ok
testE (_test_19.TestLognormalRestraintSimple22) ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
testdsigma (_test_19.TestLognormalRestraintSimple22) ... ok
testdx (_test_19.TestLognormalRestraintSimple22) ... ok
testE (_test_19.TestLognormalRestraintSimple23) ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
testdmu (_test_19.TestLognormalRestraintSimple23) ... ok
testdsigma (_test_19.TestLognormalRestraintSimple23) ... ok
testE (_test_19.TestLognormalRestraintSimple3) ... ok
testFail (_test_19.TestLognormalRestraintSimple3) ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
testdmu (_test_19.TestLognormalRestraintSimple3) ... ok
testdsigma (_test_19.TestLognormalRestraintSimple3) ... ok
testdx (_test_19.TestLognormalRestraintSimple3) ... ok
testContainers (_test_20.TestMaintainScaleOrderConstraint) ... ERROR
tests if randomly shuffled scales are nicely sorted after that ... ERROR
tests if randomly shuffled scales are nicely sorted after that. Also ... ERROR
testParticles (_test_20.TestMaintainScaleOrderConstraint) ... ERROR
test get_input_containers ... ok
test derivative wrt x for 3 particles and 2 contributions ... ok
test get_input_particles ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
test energy on three particles ... ok
test energy on n particles ... ok
test logsquares on n particles ... ok
test n on n particles ... ok
test probability on three particles ... ok
test probability on n particles ... ok
test get_input_containers ... ok
test derivative wrt x for 3 particles and 2 contributions ... FAIL
test get_input_particles ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
test energy on three particles ... FAIL
test energy on n particles ... FAIL
test gamma hat on n particles ... ERROR
test n on n particles ... ok
test probability on three particles ... FAIL
test probability on n particles ... FAIL
test sum of squares on n particles ... FAIL
resetting the move without redrawing velocities should lead to the ... ok
resetting the move by redrawing velocities should lead to a different ... ok
test get/set the number of MD steps. ... ok
test that the mover moves the particles ... ok
changing the length of the simulation should lead to a different ... ok
reset should revert to the first set of coordinates ... ok
Test get_optimizer_states() method ... ok
Test that MD generates particle velocities ... ok
Should skip particles without xyz attributes ... ok
Check that non-rigid MD translation is Newtonian ... ok
Check temperature ... ok
Check that velocity capping works ... ok
Test get_optimizer_states() method ... ok
Test that MD generates particle velocities ... ok
Should skip particles without xyz attributes ... ok
Check that non-rigid MD translation is Newtonian ... ok
Check temperature ... ok
Check that velocity capping works ... ok
tests to satisfy a restraint between two points ... ok
test get_input_containers ... ok
test derivative w/r to X ... ok
test derivative w/r to sigma ... ok
test derivative w/r to X ... ok
test get_input_particles ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
test value of chi by changing distance. ... ok
test if score is equal to ... ok
test if score is equal to ... ok
test if score is equal to ... ok
test if probability is equal to ... ok
test if probability is equal to ... ok
test if probability is equal to ... ok
tests get and set (sanity checks) ... ok
tests get and set (border check) ... ok
set returns nothing ... ok
test_Setup1 (_test_27.TestNuisanceParam) ... ok
test_Setup2 (_test_27.TestNuisanceParam) ... ok
a parameter cannot take other things than numbers as input ... ok
test setting/getting derivative ... ok
test_nuisance_down (_test_28.TestNuisanceRangeModifier) ... ok
test_nuisance_up (_test_28.TestNuisanceRangeModifier) ... ok
test_scale_down (_test_28.TestNuisanceRangeModifier) ... ok
test_scale_up (_test_28.TestNuisanceRangeModifier) ... ok
test_switching_down (_test_28.TestNuisanceRangeModifier) ... ok
test_switching_up (_test_28.TestNuisanceRangeModifier) ... ok
test_energies (_test_29.TestReplicaExchange) ... ok
test_gen_pairs_list_gromacs (_test_29.TestReplicaExchange) ... ok
test_gen_pairs_list_gromacs_neighbors (_test_29.TestReplicaExchange) ... ok
test_gen_pairs_list_rand_neighbors (_test_29.TestReplicaExchange) ... ok
test_gen_pairs_list_rand_singletons (_test_29.TestReplicaExchange) ... ok
Test uniformity of randomly generated replica pairs ... in 4.269s ... ok
test_get_metropolis (_test_29.TestReplicaExchange) ... ok
test_perform_exchanges_replicanums (_test_29.TestReplicaExchange) ... ok
test_perform_exchanges_statenums (_test_29.TestReplicaExchange) ... ok
test_perform_exchanges_steps (_test_29.TestReplicaExchange) ... ok
test_perform_exchanges_temps (_test_29.TestReplicaExchange) ... ok
test_sort_errors (_test_29.TestReplicaExchange) ... ok
test_sort_per_replica (_test_29.TestReplicaExchange) ... ok
test_sort_per_state (_test_29.TestReplicaExchange) ... ok
test_sort_sanity (_test_29.TestReplicaExchange) ... ok
tests if derivative is -2*(d-x0)**3 ... ok
tests if energy is a repulsive quadric with zero at van der waals ... ok
tests get and set (sanity checks) ... ok
tests get and set (border check) ... ok
test that a Nuisance can be converted to a Scale ... ok
set returns nothing ... ok
test_Setup1 (_test_31.TestScaleParam) ... ERROR
test_Setup2 (_test_31.TestScaleParam) ... ok
a parameter cannot take other things than numbers as input ... ok
test setting/getting derivative ... ok
testContainers (_test_32.TestSlidingPriorRestraint) ... ok
test the derivative of the restraint ... ok
raise ValueError if out of bounds ... ok
raise ValueError if out of bounds ... ok
testParticles (_test_32.TestSlidingPriorRestraint) ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
test score ... ok
test probability ... ok
tests get and set (sanity checks) ... ok
tests get and set (border check) ... ok
test that a Nuisance can be converted to a Switching ... ok
set returns nothing ... ok
test_Setup1 (_test_33.TestSwitchingParam) ... ok
test_Setup2 (_test_33.TestSwitchingParam) ... ok
a parameter cannot take other things than numbers as input ... ok
test that a Switching can be converted to a Nuisance ... ok
test setting/getting derivative ... ok
test different constructors ... ok
test different constructors ... ok
test different constructors ... ok
test get_input_containers ... ok
perform a small CG on kappa to find the mode. For N=10 cos(chi)=1 and ... ERROR
test get_input_particles ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
test derivatives for the angle using a small CG minimization ... ok
test derivatives for kappa by varying kappa ... ok
test derivatives for kappa by varying the angle ... ok
test energy of the restraint by varying p3 ... ok
test energy of the restraint by varying kappa ... ok
test whether the reader can read nonambiguous TBL files ... ERROR
test_flux (_test_36.TestTuneRex) ... skipped 'test requires the rpy2 module'
test_repnums (_test_36.TestTuneRex) ... skipped 'test requires the rpy2 module'
test if grid can do simple tasks ... skipped 'grid tests require specific machine setup'
test__setup_mc (_test_38.testSharedFunctions) ... ERROR
test__setup_mc_restraints (_test_38.testSharedFunctions) ... expected failure
test__setup_md_mover (_test_38.testSharedFunctions) ... ERROR
in 4.471s ... test__setup_normal_mover (_test_38.testSharedFunctions) ... ERROR
test_find_atom (_test_38.testSharedFunctions) ... FAIL
in 4.198s ... test_hello (_test_38.testSharedFunctions) ... ok
test_init_model_Jeffreys (_test_38.testSharedFunctions) ... ERROR
test_init_model_NOE_restraint (_test_38.testSharedFunctions) ... in 4.281s ... ok
test_init_model_NOEs (_test_38.testSharedFunctions) ... ERROR
in 4.150s ... test_init_model__setup_md_NVE (_test_38.testSharedFunctions) ... in 4.175s ... ok
test_init_model__setup_md_berendsen (_test_38.testSharedFunctions) ... FAIL
in 4.268s ... test_init_model__setup_md_langevin (_test_38.testSharedFunctions) ... FAIL
in 4.198s ... test_init_model__setup_md_rescale (_test_38.testSharedFunctions) ... ERROR
in 4.219s ... test_init_model__setup_md_restraints (_test_38.testSharedFunctions) ... ERROR
in 4.182s ... test_init_model_ambiguous_NOE_restraint (_test_38.testSharedFunctions) ... expected failure
in 4.120s ... test_init_model_base (_test_38.testSharedFunctions) ... ERROR
rudimentary test of things ... ERROR
in 4.184s ... test_init_model_setup_scale (_test_38.testSharedFunctions) ... ERROR
test_init_model_standard_SAXS_restraint (_test_38.testSharedFunctions) ... ERROR
in 6.105s ... test_m (_test_38.testSharedFunctions) ... expected failure
test_set_checklevel (_test_38.testSharedFunctions) ... expected failure
test_set_loglevel (_test_38.testSharedFunctions) ... expected failure
tests vonMises.density ... ok
tests vonMises.evaluate ... ok
tests vonMises.evaluate_derivative_kappa ... ok
tests vonMises.evaluate_derivative_mu ... ok
tests vonMises.evaluate_derivative_x ... ok
testContainers (_test_40.TestvonMisesKappaConjugateRestraint) ... ok
test the derivative of the restraint by changing kappa ... in 4.145s ... ok
raise ModelException if negative ... ok
raise ValueError if negative ... ok
raise ValueError if zero ... ok
raise ValueError if zero ... ok
testParticles (_test_40.TestvonMisesKappaConjugateRestraint) ... ok
raise ModelException if R0 < 0 ... ok
raise ModelException if R0 > c ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
test energy by changing kappa ... in 2.081s ... ok
test energy by changing R0 ... in 2.069s ... ok
test energy by changing c ... in 2.070s ... ok
test probability by changing kappa ... ok
test probability by changing R0 ... ok
test probability by changing c ... ok
raise ModelException if c < 0 ... ok
testContainers (_test_41.TestvonMisesKappaJeffreysRestraint) ... ok
test the derivative of the restraint ... in 4.118s ... ok
raise ValueError if negative ... ok
raise ValueError if negative ... ok
raise ValueError if zero ... ok
raise ValueError if zero ... ok
testParticles (_test_41.TestvonMisesKappaJeffreysRestraint) ... ok
test if score is -log(prob) ... ok
test if prob is exp(-score) ... ok
test if score is log(scale) ... ok
test probability ... ok
test alternative constructor ... ok
tests vonMisesSufficient.density ... ok
tests vonMisesSufficient.evaluate ... ok
tests vonMisesSufficient.evaluate_derivative_kappa ... ok
tests vonMisesSufficient.evaluate_derivative_x ... ok
tests the sufficient statistics ... ok
tests vonMisesSufficient.density ... ok
tests vonMisesSufficient.evaluate ... ok
tests vonMisesSufficient.evaluate_derivative_kappa ... ok
tests vonMisesSufficient.evaluate_derivative_x ... ok
Running C++ test isdtest_ConjugateGradientEigen ... ok
Running C++ test isdtest_MultivariateFNormalSufficient ...  passed
 passed
 passed
 passed
 passed
 passed
 passed
 passed
 passed
 passed
 passed
ok
Running C++ test isdtest_MultivariateFNormalSufficientCG ...  passed
 passed
 passed
 passed
 passed
 passed
 passed
 passed
 passed
 passed
ok
Running C++ test isdtest_MultivariateFNormalSufficientSparse ... ok
Test that module class names follow the standards ... FAIL
Test that module function names follow the standards ... FAIL
in 1.080s ... Test all objects have show ... ok
Test that module classes are either values or objects ... FAIL

======================================================================
ERROR: testCovDerivNumericLambda (_test_6.TestGaussianProcessInterpolationNumericallyNoMean)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovDerivNumericSigma (_test_6.TestGaussianProcessInterpolationNumericallyNoMean)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovDerivNumericTau (_test_6.TestGaussianProcessInterpolationNumericallyNoMean)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericLambdaLambda (_test_6.TestGaussianProcessInterpolationNumericallyNoMean)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericSigmaLambda (_test_6.TestGaussianProcessInterpolationNumericallyNoMean)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericSigmaSigma (_test_6.TestGaussianProcessInterpolationNumericallyNoMean)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericSigmaTau (_test_6.TestGaussianProcessInterpolationNumericallyNoMean)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericTauLambda (_test_6.TestGaussianProcessInterpolationNumericallyNoMean)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericTauTau (_test_6.TestGaussianProcessInterpolationNumericallyNoMean)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovDerivNumericG (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovDerivNumericLambda (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovDerivNumericRg (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovDerivNumericTau (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericGG (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericGLambda (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericGRg (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericGTau (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericLambdaLambda (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericRgLambda (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericRgRg (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericRgTau (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericTauLambda (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testCovHessianNumericTauTau (_test_7.TestGaussianProcessInterpolationNumericallyNoSigma)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationNumericallyNoSigma.py", line 60, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianSymmetry (_test_9.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumerically.py", line 527, in testHessianSymmetry
    self.assertEqual(linalg.matrix_rank(Hessian), np)
AttributeError: 'module' object has no attribute 'matrix_rank'

======================================================================
ERROR: testDerivNumericLambda (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testDerivNumericSigma (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testDerivNumericTau (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericLambdaLambda (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericSigmaLambda (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericSigmaSigma (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericSigmaTau (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericTauLambda (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericTauTau (_test_10.TestGaussianProcessInterpolationRestraintNumericallyNM)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoMean.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testDerivNumericG (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testDerivNumericLambda (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testDerivNumericRg (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testDerivNumericTau (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericGG (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericGLambda (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericGRg (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericGTau (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericLambdaLambda (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericLambdaRg (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericRgG (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericRgLambda (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericRgRg (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericRgTau (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericTauLambda (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testHessianNumericTauTau (_test_11.TestGaussianProcessInterpolationRestraintNumerically)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianProcessInterpolationRestraintNumericallyNoSigma.py", line 59, in setUp
    self.G,self.Rg,self.d,self.s)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 2434, in __init__
    this = _IMP_isd.new_GeneralizedGuinierPorodFunction(*args)
TypeError: new_GeneralizedGuinierPorodFunction() takes exactly 5 arguments (4 given)

======================================================================
ERROR: testContainers (_test_20.TestMaintainScaleOrderConstraint)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_MaintainScaleOrderConstraint.py", line 28, in setUp
    self.lower,self.upper) for i in xrange(self.n_sigmas)]
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 703, in setup_particle
    return _IMP_isd.Scale_setup_particle(*args)
NotImplementedError: Wrong number of arguments for overloaded function 'Scale_setup_particle'.
  Possible C/C++ prototypes are:
    setup_particle(IMP::Particle *,double)
    IMP::isd::Scale::setup_particle(IMP::Particle *)


======================================================================
ERROR: tests if randomly shuffled scales are nicely sorted after that
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_MaintainScaleOrderConstraint.py", line 28, in setUp
    self.lower,self.upper) for i in xrange(self.n_sigmas)]
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 703, in setup_particle
    return _IMP_isd.Scale_setup_particle(*args)
NotImplementedError: Wrong number of arguments for overloaded function 'Scale_setup_particle'.
  Possible C/C++ prototypes are:
    setup_particle(IMP::Particle *,double)
    IMP::isd::Scale::setup_particle(IMP::Particle *)


======================================================================
ERROR: tests if randomly shuffled scales are nicely sorted after that. Also
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_MaintainScaleOrderConstraint.py", line 28, in setUp
    self.lower,self.upper) for i in xrange(self.n_sigmas)]
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 703, in setup_particle
    return _IMP_isd.Scale_setup_particle(*args)
NotImplementedError: Wrong number of arguments for overloaded function 'Scale_setup_particle'.
  Possible C/C++ prototypes are:
    setup_particle(IMP::Particle *,double)
    IMP::isd::Scale::setup_particle(IMP::Particle *)


======================================================================
ERROR: testParticles (_test_20.TestMaintainScaleOrderConstraint)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_MaintainScaleOrderConstraint.py", line 28, in setUp
    self.lower,self.upper) for i in xrange(self.n_sigmas)]
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 703, in setup_particle
    return _IMP_isd.Scale_setup_particle(*args)
NotImplementedError: Wrong number of arguments for overloaded function 'Scale_setup_particle'.
  Possible C/C++ prototypes are:
    setup_particle(IMP::Particle *,double)
    IMP::isd::Scale::setup_particle(IMP::Particle *)


======================================================================
ERROR: test gamma hat on n particles
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_MarginalNOERestraint.py", line 151, in testValueGammaHat
    self.assertAlmostEqual(self.noe.get_gammahat(),
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 1923, in 
    __getattr__ = lambda self, name: _swig_getattr(self, MarginalNOERestraint, name)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 54, in _swig_getattr
    raise AttributeError(name)
AttributeError: get_gammahat

======================================================================
ERROR: test_Setup1 (_test_31.TestScaleParam)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_Scale.py", line 27, in test_Setup1
    self.assertTrue(math.isinf(si.get_upper()))
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 425, in get_upper
    return _IMP_isd.Nuisance_get_upper(self)
UsageException: Usage check failure: Can't get attribute that is not there


======================================================================
ERROR: perform a small CG on kappa to find the mode. For N=10 cos(chi)=1 and
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_TALOSRestraint.py", line 241, in testModeKappa
    cg.optimize(100)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/__init__.py", line 2827, in optimize
    return _IMP.Optimizer_optimize(self, *args)
UsageException: Usage check failure: Can't get attribute that is not there
Context: ConjugateGradients::optimize/ConjugateGradients::do_optimize


======================================================================
ERROR: test whether the reader can read nonambiguous TBL files
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_TBLReader.py", line 43, in test_nonambiguous
    self.assertAlmostEqual(res[1][1], 4.65, delta=1e-7)
IndexError: list index out of range

======================================================================
ERROR: test__setup_mc (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 254, in test__setup_mc
    nm = self.sfo._setup_normal_mover(p0, IMP.FloatKey("scale"), 0.1)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/shared_functions.py", line 739, in _setup_normal_mover
    IMP.FloatKeys([floatkey]),stepsize)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/core/__init__.py", line 4752, in __init__
    this = _IMP_core.new_NormalMover(*args)
NotImplementedError: Wrong number of arguments for overloaded function 'new_NormalMover'.
  Possible C/C++ prototypes are:
    IMP::core::NormalMover(IMP::ParticlesTemp const &,IMP::FloatKeys const &,IMP::Float)
    IMP::core::NormalMover(IMP::ParticlesTemp const &,IMP::Float)


======================================================================
ERROR: test__setup_md_mover (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 246, in test__setup_md_mover
    100.0, n_md_steps = 50)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/shared_functions.py", line 752, in _setup_md_mover
    return IMP.atom.MDMover(cont, md, temperature, n_md_steps)
AttributeError: 'module' object has no attribute 'MDMover'

======================================================================
ERROR: test__setup_normal_mover (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 234, in test__setup_normal_mover
    nm = self.sfo._setup_normal_mover(p0, IMP.FloatKey("scale"), 0.1)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/shared_functions.py", line 739, in _setup_normal_mover
    IMP.FloatKeys([floatkey]),stepsize)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/core/__init__.py", line 4752, in __init__
    this = _IMP_core.new_NormalMover(*args)
NotImplementedError: Wrong number of arguments for overloaded function 'new_NormalMover'.
  Possible C/C++ prototypes are:
    IMP::core::NormalMover(IMP::ParticlesTemp const &,IMP::FloatKeys const &,IMP::Float)
    IMP::core::NormalMover(IMP::ParticlesTemp const &,IMP::Float)


======================================================================
ERROR: test_init_model_Jeffreys (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 73, in test_init_model_Jeffreys
    s=self.sfo.init_model_setup_scale(3.0,1.0,5.0)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/shared_functions.py", line 314, in init_model_setup_scale
    scale = IMP.isd.Scale.setup_particle(IMP.Particle(m),default,lower,upper)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 703, in setup_particle
    return _IMP_isd.Scale_setup_particle(*args)
NotImplementedError: Wrong number of arguments for overloaded function 'Scale_setup_particle'.
  Possible C/C++ prototypes are:
    setup_particle(IMP::Particle *,double)
    IMP::isd::Scale::setup_particle(IMP::Particle *)


======================================================================
ERROR: test_init_model_NOEs (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 126, in test_init_model_NOEs
    tblfile, name='test')
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/shared_functions.py", line 456, in init_model_NOEs
    sigma=self.init_model_setup_scale(*bounds_sigma)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/shared_functions.py", line 314, in init_model_setup_scale
    scale = IMP.isd.Scale.setup_particle(IMP.Particle(m),default,lower,upper)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 703, in setup_particle
    return _IMP_isd.Scale_setup_particle(*args)
NotImplementedError: Wrong number of arguments for overloaded function 'Scale_setup_particle'.
  Possible C/C++ prototypes are:
    setup_particle(IMP::Particle *,double)
    IMP::isd::Scale::setup_particle(IMP::Particle *)


======================================================================
ERROR: test_init_model__setup_md_rescale (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 223, in test_init_model__setup_md_rescale
    self.assertEqual(os.get_skip_steps(), 0)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/atom/__init__.py", line 4225, in 
    __getattr__ = lambda self, name: _swig_getattr(self, VelocityScalingOptimizerState, name)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/atom/__init__.py", line 54, in _swig_getattr
    raise AttributeError(name)
AttributeError: get_skip_steps

======================================================================
ERROR: test_init_model__setup_md_restraints (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 229, in test_init_model__setup_md_restraints
    self.assertEqual(md.get_restraint_sets()[0], rsb)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/atom/__init__.py", line 4180, in 
    __getattr__ = lambda self, name: _swig_getattr(self, MolecularDynamics, name)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/atom/__init__.py", line 54, in _swig_getattr
    raise AttributeError(name)
AttributeError: get_restraint_sets

======================================================================
ERROR: test_init_model_base (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 51, in test_init_model_base
    self.assertIsInstance(self._m,IMP.Model)
AttributeError: 'testSharedFunctions' object has no attribute '_m'

======================================================================
ERROR: rudimentary test of things
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 56, in test_init_model_charmm_protein_and_ff
    self.assertIsInstance(ff, IMP.atom.CHARMMParameters)
NameError: global name 'ff' is not defined

======================================================================
ERROR: test_init_model_setup_scale (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 64, in test_init_model_setup_scale
    s=self.sfo.init_model_setup_scale(3.0,1.0, 5.0)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/shared_functions.py", line 314, in init_model_setup_scale
    scale = IMP.isd.Scale.setup_particle(IMP.Particle(m),default,lower,upper)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/isd/__init__.py", line 703, in setup_particle
    return _IMP_isd.Scale_setup_particle(*args)
NotImplementedError: Wrong number of arguments for overloaded function 'Scale_setup_particle'.
  Possible C/C++ prototypes are:
    setup_particle(IMP::Particle *,double)
    IMP::isd::Scale::setup_particle(IMP::Particle *)


======================================================================
ERROR: test_init_model_standard_SAXS_restraint (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 154, in test_init_model_standard_SAXS_restraint
    rs=self.init_model_standard_SAXS_restraint(prot, profile, name='test')
AttributeError: 'testSharedFunctions' object has no attribute 'init_model_standard_SAXS_restraint'

======================================================================
FAIL: test if score is -log(prob)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_GaussianRestraint.py", line 628, in testSanityEP
    self.m.evaluate(False),delta=0.001)
AssertionError: 742.13748682838718 != 742.09695073442231 within 0.001 delta

======================================================================
FAIL: test ensemble averages
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_HybridMonteCarlo.py", line 111, in test_ensemble_analytical
    self.assertAlmostEqual(mean(dist),exp(1/24.),delta=1e-2)
AssertionError: 1.1141117734790662 != 1.0425469051899914 within 0.01 delta

======================================================================
FAIL: test ensemble averages against the standard Monte Carlo
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_HybridMonteCarlo.py", line 152, in test_ensemble_mc
    self.assertAlmostEqual(mean(ene), mean(ene2), delta=1e-1)
AssertionError: 1.5559281848065269 != 1.4258993991259306 within 0.10000000000000001 delta

======================================================================
FAIL: test derivative wrt x for 3 particles and 2 contributions
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_MarginalNOERestraint.py", line 215, in testDerivative
    1.53687,delta=0.001)
AssertionError: 2.3682497943929675 != 1.53687 within 0.001 delta

======================================================================
FAIL: test energy on three particles
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_MarginalNOERestraint.py", line 73, in testValueEDist1
    expected,delta=0.001)
AssertionError: -0.019949177430874297 != -0.38730108017812137 within 0.001 delta

======================================================================
FAIL: test energy on n particles
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_MarginalNOERestraint.py", line 127, in testValueEDist2
    expected,delta=0.001)
AssertionError: 2.9965745127776859 != 2.9797816635906824 within 0.001 delta

======================================================================
FAIL: test probability on three particles
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_MarginalNOERestraint.py", line 53, in testValuePDist1
    expected,delta=0.001)
AssertionError: 0.75456238556312216 != 0.89216593136524436 within 0.001 delta

======================================================================
FAIL: test probability on n particles
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_MarginalNOERestraint.py", line 100, in testValuePDist2
    expected,delta=0.001)
AssertionError: 0.31611870881710896 != 0.35335248603091091 within 0.001 delta

======================================================================
FAIL: test sum of squares on n particles
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_MarginalNOERestraint.py", line 180, in testValueSS
    expected,delta=0.001)
AssertionError: 18.879599109557567 != 18.546265776224221 within 0.001 delta

======================================================================
FAIL: test_find_atom (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 95, in test_find_atom
    self.assertIsInstance(p0,IMP.core.XYZ)
AssertionError: None is not an instance of 

======================================================================
FAIL: test_init_model__setup_md_berendsen (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 174, in test_init_model__setup_md_berendsen
    self.assertTrue(isinstance(st1,exp[0]) or isinstance(st1,exp[1]))
AssertionError: False is not True

======================================================================
FAIL: test_init_model__setup_md_langevin (_test_38.testSharedFunctions)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/isd/test/test_shared_functions.py", line 191, in test_init_model__setup_md_langevin
    self.assertEqual(md.get_number_of_optimizer_states(), 2)
AssertionError: 1 != 2

======================================================================
FAIL: Test that module class names follow the standards
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_isd_standards.py", line 17, in test_classes
    spelling_exceptions)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/test/__init__.py", line 359, in assertClassNames
    % (str(bad)))
AssertionError: 8 != 0 : All IMP classes should be properly spelled. The following are not: ['GaussianProcessInterpolation', 'GaussianProcessInterpolationRestraint', 'GaussianProcessInterpolationScoreState', 'GaussianRestraint', 'GeneralizedGuinierPorodFunction', 'GeneralizedGuinierPorodFunction', 'JeffreysRestraint', 'vonMisesKappaJeffreysRestraint']. Add words to the spelling_exceptions variable of the IMPModuleTest if needed.

======================================================================
FAIL: Test that module function names follow the standards
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_isd_standards.py", line 22, in test_functions
    spelling_exceptions)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/test/__init__.py", line 453, in assertFunctionNames
    message)
AssertionError: 52 != 0 : All IMP methods should have lower case names separated by underscores and beginning with a verb, preferably one of ['add', 'remove', 'get', 'set', 'create', 'destroy']. Each of the words should be a properly spelled english word. The following do not (given our limited list of verbs that we check for):
BivariateFunction.get_ndims_x1
BivariateFunction.get_ndims_x2
BivariateFunction.get_ndims_y
BivariateFunction.has_changed
Covariance1DFunction.get_ndims_x1
Covariance1DFunction.get_ndims_x2
Covariance1DFunction.get_ndims_y
Covariance1DFunction.has_changed
FNormal.density
FNormal.evaluate_derivative_FA
FNormal.evaluate_derivative_FM
FNormal.evaluate_derivative_JA
FNormal.set_FA
FNormal.set_FM
FNormal.set_JA
GaussianProcessInterpolation.force_covariance_update
GaussianProcessInterpolation.force_mean_update
GaussianProcessInterpolation.get_Omega_particle_is_optimized
GaussianProcessInterpolation.get_number_of_Omega_particles
GaussianProcessInterpolationRestraint.stats
GeneralizedGuinierPorodFunction.get_ndims_x
GeneralizedGuinierPorodFunction.get_ndims_y
GeneralizedGuinierPorodFunction.has_changed
HybridMonteCarlo.get_timestep
HybridMonteCarlo.set_timestep
Linear1DFunction.get_ndims_x
Linear1DFunction.get_ndims_y
Linear1DFunction.has_changed
MarginalHBondRestraint.get_logsquares
MarginalNOERestraint.get_SS
MarginalNOERestraint.get_log_gammahat
MolecularDynamics.assign_velocities
MolecularDynamics.simulate
Nuisance.has_lower
Nuisance.has_upper
Scale.has_lower
Scale.has_upper
Switching.has_lower
Switching.has_upper
TALOSRestraint.get_R0
TALOSRestraint.get_chiexp
UnivariateFunction.get_ndims_x
UnivariateFunction.get_ndims_y
UnivariateFunction.has_changed
vonMises.density
vonMisesSufficient.density
vonMisesSufficient.get_N
vonMisesSufficient.get_R0
vonMisesSufficient.get_chiexp
vonMisesSufficient.set_N
vonMisesSufficient.set_R0
vonMisesSufficient.set_chiexp
If there is a good reason for them not to (eg it does start with a verb, just one with a meaning that is not covered by the normal list), add them to the function_name_exceptions variable in the IMPModuleTest call. Otherwise, please fix. The current verb list is ['add', 'remove', 'get', 'set', 'evaluate', 'show', 'create', 'destroy', 'push', 'pop', 'write', 'read', 'do', 'show', 'load', 'save', 'reset', 'clear', 'handle', 'update', 'apply', 'optimize', 'reserve', 'dump', 'propose', 'setup', 'teardown', 'visit', 'find', 'run', 'swap', 'link']
Misspelled words: logsquares, timestep, ndims, gammahat, chiexp. Add words to the spelling_exceptions variable of the IMPModuleTest if needed.

======================================================================
FAIL: Test that module classes are either values or objects
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_isd_standards.py", line 12, in test_value_objects
    return self.assertValueObjects(IMP.isd,exceptions)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/test/__init__.py", line 314, in assertValueObjects
    message)
AssertionError: 1 != 0 : All IMP classes should be labeled values or as objects to get memory management correct in python. The following are not:
['GaussianProcessInterpolationScoreState']
Please add an IMP_SWIG_OBJECT or IMP_SWIG_VALUE call to the python wrapper, or if the class has a good reason to be neither, add the name to the value_object_exceptions list in the IMPModuleTest call.

----------------------------------------------------------------------
Ran 507 tests in 113.257s

FAILED (failures=15, errors=68, skipped=25, expected failures=6)
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
P1755
P4
P1621
P6012
P12982
P6968
P2547
P4769
P7310
Atom N of residue 6
P5492
Atom CG of residue 19
P3836
P12243
Atom HG23 of residue 70
P4845
Atom HE2 of residue 6
Atom HB of residue 23
P7527
P2571
P3626
P4674
P4189
P2887
P6960
P7035
P4519
P4417
P6078
P5053
P3112
P6040
Atom HG of residue 56
P8140
P2804
P1843
P10950
P5254
P4798
P2924
P10239
P6511
P7748
P7034
Atom HG23 of residue 36
P2492
P2266
Atom N of residue 19
P5587
P7127
Atom CE of residue 48
P7746
P1680
P7288
P1524
P5111
Atom CD of residue 73
P3991
P3938
P2599
P1911
Atom CG2 of residue 23
P7246
P8012
P6003
P3430
P3359
P2896
P4675
P11663
P7933
Atom C of residue 7
P8351
Atom O of residue 48
P1630
Atom CG1 of residue 70
P7999
P4915
P3598
P1602
P4616
P6784
P2203
P3059
P8663
P8510
ListSingletonContainer383
P4
P2902
P4096
P8439
P7840
Atom CA of residue 48
P1824
P6014
P7156
P3402
Atom O of residue 63
Atom CA of residue 30
ScoreState 39
P12983
P1570
Atom O of residue 85
Atom HE3 of residue 33
P5407
P8474
P5540
Atom HH12 of residue 72
P3057
P3563
P1361
P7869
P2783
Atom CB of residue 31
P3408
P1602
P4086
P2335
P6207
P2378
P165
P7223
P12244
P1756
P363
Model 348
P7682
P3392
P1437
P1947
P2963
P3469
P6078
P6576
P5792
Atom H of residue 74
P8141
P2962
P3468
P5520
P2349
P9594
P7673
P149
P6013
P2410
P1437
P1681
P4770
P5493
P10240
P6512
P3837
P2
P2556
P2165
P4846
P7528
P2572
P3627
P4675
P4190
P2888
P6961
P7036
P4520
P4418
P2517
P5054
P8416
P3113
P6041
P5
Atom CG2 of residue 70
P1666
P8384
P6413
P10951
Atom N of residue 71
Atom H of residue 5
P1912
P1571
P5255
P4799
P2368
P7312
P5408
P2925
P167
P89
P11664
P7934
P6079
GeneralizedGuinierPorodFunction 8
P8352
P6969
P7430
P7060
P2265
P2411
P1631
P8000
P1844
P7749
P4916
P1622
Atom HZ1 of residue 33
P1362
PRO
P5112
P3939
P8194
P2600
Atom CB of residue 48
P6785
P6015
P7247
Atom HD2 of residue 68
Atom HB2 of residue 39
P1521
P5588
P3431
Atom NE of residue 73
P2897
P4676
P3
Atom HE3 of residue 6
Atom HB of residue 23
Atom HG21 of residue 66
P8013
P6004
Atom C of residue 48
P8475
P7035
P3599
P4617
P8664
P3360
P6577
P2903
P7128
Atom HE3 of residue 1
Atom OXT of residue 129
Atom C of residue 30
P3992
P7
P3403
P7841
Model 324
P12984
Atom HA of residue 56
P7683
P2805
P5521
P8385
Atom NZ of residue 48
P6918
P5541
P1749
P2411
P3058
P3564
P7313
P2784
P48
P7674
P3409
P2518
P6014
Model 167
Atom O of residue 2
P4087
P6208
P1438
P1948
P5494
P4
P7224
P1603
P3393
Atom HG12 of residue 26
P2964
P7157
P2350
P3470
P6079
P8438
P8417
P6042
Atom HG3 of residue 49
P1438
P2963
P3469
P2889
P9595
P8511
Atom CD of residue 21
P12245
LEU
P2166
P1571
P4771
P3838
P8197
P2557
P7935
Atom N of residue 63
P6080
P4847
Atom HD11 of residue 36
P6970
P2573
P8142
P2199
P7289
P3628
P1359
P4676
P1667
P4191
Atom HE1 of residue 68
Atom HB3 of residue 39
P7870
P4521
P4419
P3114
P2369
P5793
P7748
Atom O of residue 23
P5256
P4800
P7062
Atom N of residue 86
P5409
P2926
P5589
ListSingletonContainer486
P1757
P1623
P2493
P7431
P2204
Atom HG22 of residue 66
Atom HB3 of residue 31
P0
P11665
P7036
Atom HA of residue 74
P7529
P8001
P5113
P10241
P6962
P8
P3940
P7037
P7129
P2601
P5055
P93
P1750
P4
P7248
P1845
P3432
P2898
P4677
P10952
P6016
P2267
P5522
P1360
P2379
P6513
P6412
Atom CG of residue 39
Atom H of residue 48
P1913
P3600
P4618
P8665
P6578
P2904
Atom HB2 of residue 56
Atom HB2 of residue 29
GeneralizedGuinierPorodFunction 58
P3079
P8014
P3404
P7225
P2519
Atom O of residue 30
P1604
P6786
P7684
P6209
Atom HG13 of residue 26
Atom HG3 of residue 31
P2412
P7158
P8386
P6080
P7750
P5542
P8354
Atom HE21 of residue 49
P2200
P3565
P7314
P2785
P9596
P8512
P7675
P12246
P3410
P4917
P4088
P3572
P6005
P8477
P6919
Atom HD12 of residue 36
P3394
P1442
P2965
P3471
Atom OD1 of residue 39
Atom O of residue 48
P6015
P7749
P12986
P2205
P2964
P3470
P1633
Atom HZ2 of residue 33
P2312
Atom H of residue 70
P5495
P3361
P3993
P153
P6043
P5794
P364
P5257
P7063
Atom O of residue 3
P1678
SER
P4772
P10242
P6514
P3839
P8198
P2558
P4848
Atom HZ1 of residue 6
Atom CG of residue 48
P2494
P6971
UnaryFunction17
P2574
P7432
P7290
P2806
P3629
P4677
P4192
Atom OG of residue 20
P7871
P4522
P4420
P8440
P6081
P422
P3115
Atom HB2 of residue 74
P7530
Atom N of residue 69
Atom N of residue 40
P5114
P6963
P7038
P1758
P5056
P4801
P4595
Atom HG1 of residue 12
P2927
P10953
P3
P8418
P1366
GaussianProcessInterpolation26
P1949
P5590
Atom C of residue 111
Atom CD2 of residue 8
P4918
P7037
P8143
P8666
P1846
P2351
P3941
P7130
P7936
P2602
P8355
P2412
Atom HG of residue 69
P7249
Atom HB3 of residue 29
P8015
P3433
P2899
P4678
P6414
P43
P2167
P1914
Atom HE21 of residue 31
Atom H of residue 20
P5410
P0
P7751
P3601
P4619
Atom NH1 of residue 42
Atom HB3 of residue 29
P5523
P2905
Atom HA of residue 5
Atom CB of residue 125
P1624
P1634
Atom HA of residue 70
P8541
P3405
P11666
P8478
P6787
P2413
P8002
P7159
P5543
P6016
P7750
Atom CD of residue 48
P1440
P3566
Atom HZ3 of residue 33
P2786
P5496
P7226
P3411
P8419
GeneralizedGuinierPorodFunction 28
P6017
P4089
P6210
P2380
P6006
P6081
ModelScoringFunction12
P12247
P8441
Atom CA of residue 39
P7843
Atom OD2 of residue 39
Atom HZ2 of residue 6
P3395
P2807
P2366
P2313
P1367
Atom CD of residue 72
P2966
P3472
P7872
P5412
P9597
ListSingletonContainer345
P3994
P7685
P2965
P3471
ListSingletonContainer12
P6579
Atom CB of residue 48
P5795
P3
P7064
P2268
P4773
P1329
P7315
P6515
P7676
P3840
P2559
P4849
Atom HD11 of residue 69
P2575
P2206
Atom HG23 of residue 66
P3630
P4678
P1950
P4193
P8387
P8513
Atom O of residue 111
P4523
P4421
P425
P3116
P7531
P8144
P6964
P7039
P2520
P7937
P5057
P8356
P4802
P7433
P2
P2382
P2928
P6415
P10954
Atom HD13 of residue 8
P2168
P2413
P12985
GLN
Atom HA of residue 20
P2352
P7752
P4919
P6044
P6972
Atom HG2 of residue 29
Atom HG21 of residue 26
P3942
P2603
Atom CG of residue 125
P1605
P2495
P7250
P2201
P1839
P8542
P3434
P3362
P16
P2900
P4679
P6082
P1753
P6788
P5
Atom CE2 of residue 4
Atom CB of residue 37
Atom CB of residue 17
P6
P4620
Atom HE22 of residue 49
P5260
P3573
P7291
P1825
P2906
P7227
P7038
P1363
P1848
P6007
P8514
P5591
P6082
P3406
P11667
P7131
P8479
P6916
Atom HZ3 of residue 6
P1439
Atom CB of residue 85
Atom HB of residue 70
P8003
Atom NE of residue 72
P5415
P9598
P10243
P8442
P3602
P5544
P1625
P7686
P3567
P2890
P2787
P6580
P3412
Atom C of residue 39
Atom C of residue 6
P8420
P0
P1915
P6017
P7751
Atom CE of residue 48
Atom HB3 of residue 74
P6018
Atom HA of residue 50
P4090
P6211
P7316
P5115
P5497
P7677
P3396
P2269
P2808
P5524
P2967
P8388
P8016
P3473
Atom HG22 of residue 13
P7844
P94
P1606
Atom HG22 of residue 36
P2966
P7292
P3472
P2414
P7160
P7434
P7065
LEU
Atom H of residue 31
P8667
PHE
P1365
P4774
LEU
P3995
PairScore 2
P3841
P2560
Atom NH2 of residue 42
P4850
P5261
P2576
P2202
P3631
P1840
P4679
P4194
Atom CA of residue 40
P4524
P4422
P3117
P8353
Atom HD12 of residue 69
P2497
P0
P6973
P8145
Atom HG22 of residue 26
Atom N of residue 34
P2381
P7873
P12248
P5
Atom HG2 of residue 74
P12987
P2207
Atom H of residue 29
P1951
P2929
P6416
P44
P7938
Atom H of residue 39
P5796
P6516
P4
P6045
P5862
P5116
P3363
P3943
P2604
P2169
P8476
P7039
P7532
P7251
P1849
P2891
P3435
P10244
P2901
P6965
P4680
P11668
P7040
P3180
P7132
P2521
Atom NZ of residue 6
Atom CG1 of residue 17
P6083
P5058
P7293
P1632
P8004
P10955
Atom CG of residue 48
P365
P1754
P4621
P8668
P2907
P4920
P1916
P12287
Atom N of residue 50
P6019
Atom HB2 of residue 50
P8515
P5592
P3407
P7228
P7753
Atom N of residue 3
Atom HG2 of residue 29
P8319
Atom CA of residue 69
P8017
P6083
Atom CG of residue 56
P3603
P5545
Atom N of residue 7
Atom HE3 of residue 1
P2496
Restraint 170
P7687
Atom OG of residue 85
P1581
P3568
P2314
P7161
P6008
P2788
P9599
P6581
P3413
P180
Atom CB of residue 3
P6789
P7066
P4091
Atom HG11 of residue 70
P1368
P7678
P1447
P3397
Atom C of residue 22
P2809
P5525
P8543
P2968
Atom O of residue 30
P2353
P3474
Atom CB of residue 111
P8443
Atom NZ of residue 48
P2967
P3574
P3473
GLU
P1841
Atom HG23 of residue 13
P5863
P12988
Atom O of residue 1
P4775
P5416
ListSingletonContainer216
Linear1DFunction 20
P3842
Atom HA of residue 39
P423
Atom CD of residue 48
P4851
Atom CD of residue 125
P5797
P1607
P5262
P2577
P7435
P6212
Atom HA of residue 31
P3632
P4680
P4195
P6517
Atom CD2 of residue 56
P7041
P4525
P4423
P3118
P6046
P1626
P6018
P7752
P6974
P2208
Atom HG3 of residue 29
P5498
P97
P12249
P8421
P2414
P7533
P2203
P1313
Atom HG12 of residue 70
P1369
P8389
P2930
P10245
P6966
P6417
Atom H of residue 6
P6084
P5059
P1341
Atom HG3 of residue 74
P1320
Atom HD13 of residue 69
Atom CA of residue 22
Atom HA of residue 29
P2315
P7317
Atom HZ2 of residue 29
Atom CG1 of residue 30
P7874
P10956
P2561
P1372
P7845
P8238
P2415
P1952
P3125
P5117
P3944
P4921
Atom HG2 of residue 18
P2605
P2170
P7040
P7252
P8146
P2270
P8544
P2354
P5593
P3436
P2902
P4681
P3996
P3181
P7133
P7754
Atom CB of residue 39
Atom HB3 of residue 4
P6790
Atom HG3 of residue 29
P8320
Atom CZ of residue 72
P3364
P4622
Model 9
P8669
P1850
P6009
Atom CD1 of residue 111
P11669
P2908
P7939
P12288
bonded
P8005
P3408
P1448
Atom CA of residue 67
P5526
P3604
P5546
P1751
Atom H of residue 48
P2415
P6020
P3575
P3569
P7162
P8390
P8018
P2789
P3414
Atom NZ of residue 11
P5864
P4092
P1582
P1370
P8245
P2522
P1342
Atom NE of residue 125
GeneralizedGuinierPorodFunction 43
P3398
P2810
P2969
P3475
P38
P8444
Atom HD2 of residue 29
P2968
Atom HG23 of residue 26
P3474
P7229
P12250
Atom CG of residue 39
P8422
P12989
P7688
P1311
P4776
P8516
P6084
P6418
P6582
P3843
P4852
P95
P5798
P1627
Atom HD21 of residue 69
P5258
P2578
P6213
P3633
P4681
P4196
P7318
Atom HZ3 of residue 29
Atom CG2 of residue 30
P7875
P9600
P7679
P7042
P4526
P4424
P1373
P3119
Atom CE of residue 48
P8239
THR
P6019
P7753
Atom HB3 of residue 50
P2416
P2383
Atom C of residue 69
P5499
Atom H of residue 56
P7846
P1917
P1608
P8531
P7534
P8147
P2271
P2931
P6967
P5060
P6047
Atom N of residue 4
P7294
Atom HG13 of residue 70
Atom NH1 of residue 72
P2892
P10246
P10957
P2562
P7067
Atom C of residue 67
P2204
Atom HD21 of residue 67
P5414
P5316
P168
P3945
P11670
Chain A
P6085
P2606
P12289
P6975
P7436
P7253
Atom HE21 of residue 2
P8006
P8545
P1371
P1847
P1953
P3437
P2903
P4682
P3182
P1343
Model 390
P2171
LYS
Atom HD3 of residue 33
P7755
P1
P7041
P4623
LEU
P6021
P5594
P6518
P2909
P7940
P8246
P6010
Atom CD2 of residue 111
P3409
P2523
P176
P366
Atom HD2 of residue 74
Atom HG of residue 50
P2209
P1842
P2355
P7134
P3076
P5547
P1752
P2498
P1391
P3576
P3570
Atom CA of residue 34
P1
P8391
P2790
P3997
P3415
Atom HG13 of residue 5
P5865
P1449
P7689
P4093
P5527
P8670
P8321
P8517
P6583
P4922
P1918
P3399
P2811
P7319
Atom CD of residue 42
P2970
P8019
P3476
P3365
P7680
Atom OD1 of residue 39
Atom O of residue 12
P6020
P7754
P5259
AngleSingletonScore10
P2969
P6214
Atom HD23 of residue 67
P3475
Atom O of residue 69
P2893
P5500
P7230
P7847
P8532
P12990
P7068
P4777
P7163
P37
P6085
P3844
Atom O of residue 56
P6048
P4853
P7
P12291
P1338
P2579
P7295
P3634
P4682
P4197
P7876
P9601
P5118
P6519
P4527
P4425
P12251
Atom HD21 of residue 8
P3120
P8240
P6791
P2205
Atom HD22 of residue 67
P8445
P6086
P6976
P8148
P2932
Covariance1DFunction 55
Atom HD11 of residue 13
P1374
Atom HD2 of residue 29
Atom O of residue 67
P2563
P8423
P7042
P5799
P2416
Atom CA of residue 50
HIS
P1583
P8322
P1364
LEU
P5595
P3946
P7135
P2524
P7941
P4923
P2607
P5320
P1445
P7437
P7254
P2272
P3438
P1906
P2904
P4683
P11671
P3183
P6150
Atom C of residue 12
P7535
P2210
P2417
P2316
P8007
P6968
ListSingletonContainer386
P7043
Atom HD11 of residue 8
Atom N of residue 42
P4624
Atom HA of residue 48
Atom CA of residue 27
P4596
P6419
P10958
ListSingletonContainer487
P2910
P424
P6022
von Mises sufficient 0
P5528
P8671
P8247
P10247
P3410
Atom NH2 of residue 125
P2611
Atom C of residue 34
Atom HG21 of residue 70
P1570
P8020
P2356
P5411
P3998
P5548
Atom N of residue 33
Atom HD11 of residue 50
P3577
P1584
P2679
P2384
Model 76
P2791
Atom NE1 of residue 111
P7231
P3416
P5321
P2052
P12991
P7690
P1392
P4094
P1325
P8546
P2
P7164
P6086
P6584
P7756
P8424
P2172
SER
Atom HD23 of residue 69
P6792
P3400
CHARMMStereochemistryRestraint9
Atom HE3 of residue 33
Atom N of residue 30
P2971
P3078
Atom CA of residue 30
P3477
P7877
P9602
P5119
P7681
P12252
P2970
P7296
P3476
P1843
P1954
P6011
P170
Atom HG21 of residue 26
P177
Atom HE3 of residue 11
P1919
P2417
P6
P7069
P2317
P4778
P3845
P4854
P5866
P6021
P7755
Atom HD3 of residue 74
Atom HD3 of residue 29
P6215
P3635
P4683
Atom NH2 of residue 72
P4198
P7320
P5501
P1907
P6520
Atom CB of residue 56
P4528
P4426
P1377
P3121
P6049
P8241
P5800
Atom CA of residue 68
P8392
P8518
P8446
Atom CA of residue 12
Atom HB2 of residue 48
P6977
P7438
P2419
P1572
P2933
P3366
P6420
P6087
P6151
Atom CA of residue 20
Atom C of residue 50
P7536
P6969
P7044
Atom HD12 of residue 13
P2580
Atom N of residue 126
P8533
P2499
P8323
P10959
P3947
P7136
P4924
Atom HG23 of residue 26
P2608
P5322
P12290
P1446
P7255
Atom C of residue 15
Restraint 49
P2680
P2385
P5596
P3439
P2905
P4684
P3184
Atom O of residue 39
P7043
P1609
P2612
P8149
Atom O of residue 34
Atom HG22 of residue 70
Atom CB of residue 69
P8244
P173
P7942
P8250
P4625
ILE
Atom CE2 of residue 111
P3
P2911
P96
Atom CA of residue 7
P1
Atom C of residue 2
P1585
P2
P8547
Atom H of residue 72
P2357
P10248
P3411
Atom N of residue 70
P6793
P2895
Atom N of residue 67
P5529
P1378
P5549
P2273
P3578
P7297
P2792
P11672
P45
P3417
P7848
P2173
Atom CA of residue 33
P4095
P2206
Atom C of residue 27
P2418
P8008
P7165
P3999
P7757
P8425
P5867
P6022
P8534
P7756
P3401
Model 221
P1955
P7321
P2972
P3478
P2690
P5120
P5502
GaussianProcessInterpolation39
P7232
Atom C of residue 20
P6023
P2971
P3477
P2318
P8393
P6012
P7878
P6087
P12253
P8447
P5323
P2500
P4779
P9603
P3367
P3846
P2564
P4855
P2211
P7691
P6216
P3636
Atom HD23 of residue 67
P4597
P8672
P4684
P4199
P6585
P4529
P4427
Atom HA of residue 6
PHE
SER
P3122
P1920
P5801
Atom CG of residue 42
Atom HD12 of residue 50
P2613
Atom CG of residue 69
P2894
P8021
P8520
P7682
P3
Atom HG13 of residue 3
P7849
Atom N of residue 2
P367
Atom CG1 of residue 13
Atom SD of residue 1
Atom O of residue 15
P1393
P1573
Atom HZ1 of residue 33
P2934
P1908
P6421
Atom HB3 of residue 48
P2418
P7537
P7071
P8150
P6970
P7045
P1379
P2525
P7943
Atom N of residue 27
P6152
P12992
P7439
P2274
P1844
P6521
P10960
P3948
GLY
P1610
P7256
P2681
P3440
P10249
P53
P2906
P4685
P3185
P6050
VAL
P6978
P2213
HIS
P8211
P8242
P4626
P2912
P6088
P12292
ILE
P4096
P2207
Atom CB of residue 34
P8673
Atom CA of residue 30
P3412
P7758
P4925
P2896
Atom HA of residue 72
P2691
P5121
P7233
P8449
P7044
P5550
P6794
P3579
Atom O of residue 27
P8324
P2386
P1
P6013
P2793
P5597
P6088
P11673
P7137
Atom CG2 of residue 7
P3418
Atom CB of residue 42
P8009
P2895
P9604
P2565
P5868
P8535
P7692
P3402
P2973
P3479
P6586
Atom H of residue 10
P5326
Atom CA of residue 50
P6023
P7757
P6024
Atom HD13 of residue 50
Atom CG2 of residue 13
P2972
Atom HD21 of residue 67
P3478
P8548
P8022
P5503
P7683
MET
P7850
P2419
P12993
P5530
P4780
Atom HZ2 of residue 33
Atom HA of residue 37
P3847
P2526
Atom N of residue 14
P4856
P1921
Atom HB3 of residue 65
P3637
P4685
P4200
Atom CD1 of residue 69
P7168
P4530
P4428
P3123
P2581
P7440
P1394
P1845
P2358
P6522
P1956
P2935
P4000
P8426
P2174
Atom CZ of residue 125
P5802
P6979
P8151
Atom CA of residue 68
P8394
P7879
P3368
P12254
Atom HA of residue 20
Atom C of residue 33
Atom O of residue 61
P12293
P2501
P6217
P7322
P3949
P7944
Atom HG2 of residue 48
Atom HB3 of residue 4
P7257
P2682
Atom CG of residue 34
P3441
P2907
P4686
P3186
P4926
P6051
P6153
Atom O of residue 42
Atom HD22 of residue 69
P2214
Atom HE2 of residue 4
P4598
P2319
P8549
P1909
P6423
Atom CG of residue 111
P5327
P7045
P4627
P7538
P7298
P8325
P10250
P6971
P11674
P46
P2913
P7046
P7138
P6089
P7070
P8194
P8674
P8010
P5598
P10961
P3413
P2897
P2275
P2692
P8521
P5122
Atom HG11 of residue 26
P97
P5551
Atom O of residue 25
P6025
P3580
P2794
ListSingletonContainer217
P7234
P3419
P7759
Atom HD2 of residue 48
P2420
P8395
P8210
P6089
P2566
Atom O of residue 33
Atom O of residue 18
P0
Atom HG of residue 65
P7693
P3403
P2974
ListSingletonContainer16
P6014
P3480
P9605
P6587
P4531
P2527
P2973
P7299
P3479
P7684
Atom N of residue 27
P8244
P12994
P5531
Atom CA of residue 38
P4781
P8023
ListSingletonContainer398
P3848
P8448
P1447
P7851
P8427
P2175
P4857
P5803
P6795
P3638
P2387
P4686
Atom HB2 of residue 72
P4201
P2359
P4429
Atom HB3 of residue 20
THR
P3124
P5869
P1334
P2582
P8197
Atom HG3 of residue 74
Atom C of residue 42
Atom HB3 of residue 33
P1957
P7323
Atom H of residue 30
P12294
P7441
P2208
P1586
Atom HG12 of residue 17
P2936
P8522
P5324
P6052
P6154
P1611
P6024
P8536
P7758
P6980
P4599
P7880
P5504
P12255
Atom O of residue 49
Atom NH1 of residue 125
P368
P7
P7539
P8239
P6218
P5599
P10251
P6972
P3950
P7047
P6090
Atom HZ3 of residue 48
P7258
Atom C of residue 40
P2683
P2320
P3442
P1910
P2908
P4687
P10962
P3187
P2420
P1846
P8550
Atom CD2 of residue 69
P2896
P154
P7046
P4628
Atom CG of residue 25
P7072
P8152
Atom N of residue 27
Atom C of residue 68
P7169
P3369
P4001
P121
P2914
P7139
P7760
P426
P6523
P3414
Atom HB2 of residue 6
P5325
P2502
P2898
ListSingletonContainer585
P6015
P2693
P5123
P1448
P7945
P5552
P1317
P1309
MET
P2276
P1395
P3581
P7300
P8011
P2795
P8212
Atom O of residue 7
LYS
P3420
Atom O of residue 40
P5532
P8396
P169
P6422
P2567
P6026
P3404
P2209
P8675
P8326
P2388
Atom HB3 of residue 72
P2975
P3481
P4532
P4927
Atom C of residue 28
P5870
Atom CB of residue 33
P1612
Atom CB of residue 18
P2974
P3480
Atom C of residue 38
Atom HD2 of residue 74
Atom HG2 of residue 33
P7324
Atom HE2 of residue 33
P11675
P1922
Covariance1DFunction 80
P2215
P8240
P4782
P3849
P4858
P8537
P6796
P1
P3639
P4687
P4202
P7881
P7235
P4430
P12256
P3125
Multivariate Normal distribution 39
P2583
P7694
P8198
P2897
P8024
P6090
P6524
P6588
P1528
P2176
P5804
P6219
Atom CD of residue 34
P2937
P9606
P8523
P7685
P8450
P6025
Atom HA of residue 30
P7759
P12996
P4600
Atom H of residue 69
Atom HG13 of residue 17
P5505
P8243
P7540
P7073
P8153
Atom O of residue 68
P10252
P6973
P3951
P7048
P7852
Atom N of residue 50
P8428
P6053
P12295
P7259
P1396
P2421
P2684
P8327
P3443
P2909
P4688
P10963
GaussianProcessInterpolationRestraint 7
P3188
Atom HD22 of residue 8
P4928
P5328
P2503
P4002
P6091
P4629
P6981
P7442
P8012
P8213
P2915
P2528
P429
P1335
P1958
P5124
P3415
P11676
P7761
P6027
P2899
Atom N of residue 66
P8676
P2360
P2694
P4533
P7946
Atom O of residue 28
Atom CZ of residue 21
P6155
P5553
P2421
Atom CB of residue 40
P3582
P2321
P1310
P2
P8332
P6016
P2796
ListSingletonContainer261
P6424
P8451
P3421
P7047
P1445
P7301
P1847
P7140
P1529
P6797
P3405
Atom OE1 of residue 34
P8551
P2976
P3482
P3370
P8429
P1923
P5871
P2216
P7695
P2975
P3481
P5533
P3
P1911
P6589
Atom HZ2 of residue 48
P8241
P2210
P4783
P7170
P7686
P3850
P4859
P6026
P7760
P2277
P2422
P3640
P4688
P4203
P8025
P5506
P7236
P4431
Atom HD23 of residue 8
P3126
P2584
P2389
P7325
P5600
P6091
P6525
P1
P6054
LYS
P1447
P8397
P7882
P2938
P9607
LEU
P12257
P5329
P98
P8245
Atom N of residue 7
P4601
P1959
P2898
P8333
P172
P6092
P2177
ASN
P6982
P7074
P8154
P6220
P2361
P8519
P3952
P11677
P7853
P8538
P12296
P7260
P2685
Atom CB of residue 4
P8328
P3444
P2910
P4689
P3189
P4929
P5805
THR
P7947
P6156
P4630
P7443
Restraint 25
P1397
P8214
P6425
P2916
P2050
P7048
P12995
P7541
P8013
P10253
P6974
P4003
P3416
P7049
P7141
P155
Atom HB of residue 30
P2900
P2322
P8552
P2695
P55
P10964
Atom HG21 of residue 26
Atom CB of residue 38
P5554
P1613
P2504
P6028
P3583
P5534
Atom H of residue 33
Atom C of residue 13
P2797
P1912
P8452
P3422
Atom C of residue 64
P1848
P3371
P369
ListSingletonContainer5
P3406
P8237
Atom CG1 of residue 30
Atom HD3 of residue 37
P2977
P3483
ListSingletonContainer488
P7237
P2529
P8430
P8539
P7696
P2976
Atom HG21 of residue 3
P3482
Atom OE2 of residue 34
Atom HA of residue 69
P7326
P2371
P5601
P6092
P6590
P4534
P7762
P1445
P1530
P1
P6798
P4784
P7171
P8398
P7883
P9608
P7687
P3851
P12258
P4860
P8246
GLN
P3641
P4689
P4204
P6017
P4432
Atom CB of residue 25
P3127
Atom HG3 of residue 38
P2585
Atom CG of residue 40
P2278
P2211
P7302
P8677
Atom HD3 of residue 74
P5125
Atom HB3 of residue 6
P7854
P1329
P5872
P6027
P7761
P1448
P5507
P5330
P2178
P6055
Atom CB of residue 8
P5806
P4602
P8334
P153
P2422
Atom OG of residue 20
P6983
P7444
P7075
P6221
Atom H of residue 5
P3953
Atom HG2 of residue 63
P6093
P7542
P7261
P2212
P2423
P2686
Atom O of residue 13
P2939
P3445
P10254
P2911
P6975
P4690
P6526
P6426
P7050
P3190
Atom HG12 of residue 30
P1
P2372
P10965
Atom CG of residue 38
P427
P1614
P4631
Restraint 584
P12997
Atom HH12 of residue 72
Restraint 154
Atom N of residue 68
P2390
P1960
P2899
P8215
Multivariate Normal distribution 7
P0
P2917
Atom CG of residue 64
P7049
P6157
P8155
P2362
P3417
P7142
P7948
Atom HA of residue 25
P12297
P2901
P1398
P8678
Atom HG22 of residue 14
P2696
P1
P4930
Atom CD2 of residue 73
P5555
Atom H of residue 20
P3584
P1849
Atom HB2 of residue 69
P2798
P5602
Atom HD2 of residue 63
Atom HG22 of residue 26
P4535
P3423
P6799
Atom CG2 of residue 30
P5535
P8329
P7172
Atom HD23 of residue 69
P5126
Atom HD21 of residue 15
P3407
P2978
P8026
P3484
Atom CG of residue 25
P1383
ALA
Atom HD3 of residue 38
P8540
Atom CD of residue 40
P8238
P2977
P3483
Atom HE of residue 74
P8014
P3372
Atom CB of residue 1
P7763
P5873
P6028
P7762
P2423
P2323
P8553
P4785
P5508
P3852
P7238
P8453
P4861
P8247
P6029
P2212
P3642
Atom H of residue 34
P4690
P4205
P6018
P7884
P6093
P11678
P47
P4433
P12259
P1531
P3128
Atom CG2 of residue 22
P2505
P2586
P7076
P7303
P4223
P9609
P2373
Atom HD3 of residue 74
Covariance1DFunction 95
P7697
VAL
ListSingletonContainer241
P1913
P6527
ListSingletonContainer456
P6591
P2530
Atom HD3 of residue 11
P5331
Atom HB of residue 12
P5807
P2547
P4603
P7688
P7855
P8431
P12998
P0
P2203
P8399
P8216
P3954
P99
P7543
P7262
Atom O of residue 66
P8156
P2687
P7327
Atom HE22 of residue 2
P2940
P3446
P10255
P2912
P6976
P4691
P6427
P7051
P3191
P7949
P1615
P7445
P2279
LEU
Atom HB2 of residue 43
P2900
P10966
P4931
Atom CD of residue 64
Atom H of residue 73
Atom OG1 of residue 22
Atom CD of residue 37
P4632
P8554
P1961
Atom O of residue 75
P2918
P6056
P6984
P1399
P6222
P8330
P2391
P171
P3418
Model 303
Atom CG2 of residue 22
P12298
P2424
P2902
von Mises sufficient 1
P8679
P8027
P8335
P2697
Atom CG2 of residue 43
Atom HD3 of residue 63
P6094
P6158
P5556
P3585
P1449
P2424
P2363
P2799
P4536
P3424
P7764
P2179
Atom HA of residue 20
Atom HG11 of residue 70
P5127
P7239
P8454
P1384
P7050
P6800
Atom HB of residue 12
P3408
Atom HB3 of residue 43
P2979
P8400
P6019
P3485
P6094
P11679
P7143
Atom HD22 of residue 15
Atom CG of residue 56
P2978
P7304
P3484
P2324
P8015
P7173
P9610
Atom NH1 of residue 21
Atom CA of residue 28
Atom HE of residue 74
P5874
P370
Atom HG3 of residue 48
P7698
P4786
P2204
P2374
P16
P1914
P6592
P3853
P2531
P1532
P5332
P4862
P8248
P6029
P7763
P6030
P3643
P4691
Atom H of residue 75
P4206
Atom HG of residue 20
P5603
P5509
P7689
P4434
P7856
P8432
P3129
P2587
P1873
P5536
Atom HA of residue 34
P4224
Atom CA of residue 70
P156
Atom O of residue 5
P2506
Atom CB of residue 66
Atom CD1 of residue 30
P7328
P6428
P4004
Atom CB of residue 22
P7446
P4604
P2392
Atom HG1 of residue 12
P8541
P12999
P1850
Atom HH11 of residue 74
P3373
P3955
P6985
P7263
P8157
P0
P2688
ClosePairContainer
P4
P7885
P2941
P3447
P2913
P4692
P3192
P12260
Atom CA of residue 38
P12299
P1962
P8336
ListSingletonContainer15
P7950
P6159
P5808
P4633
P2280
Atom CA of residue 8
P2425
P8555
Atom HB3 of residue 69
P2919
Atom CA of residue 25
P6057
Atom CD1 of residue 56
Atom N of residue 39
P1571
P6223
ASN
P3419
Atom OE1 of residue 64
P7051
Atom O of residue 22
P1618
P2903
P7544
P7077
P1450
P2364
P2698
P10256
P6977
P6528
P11680
P7052
P7144
Atom HG2 of residue 6
P6095
P2180
P5557
GaussianProcessInterpolation79
P2213
P3586
P8016
ASP
P7174
P2800
P10967
P4005
P3425
Atom HG of residue 43
ListSingletonContainer174
P8249
Atom HB3 of residue 18
P2507
P6031
P7699
P3409
Atom O of residue 30
Atom HH21 of residue 74
P2980
P8401
P3486
P5604
P8217
P7240
P48
P7765
Atom CG2 of residue 5
P2979
P3485
P8680
P8331
P8028
P6095
P4934
Atom H of residue 30
P4787
P7329
P2205
P2901
P6020
P9611
P6593
P3854
Atom HG13 of residue 5
P428
P4863
Atom O of residue 20
P1874
P7305
P3644
P4692
P4207
P5129
P7690
P4435
Atom HA of residue 63
P3130
P8542
P2588
Atom HD1 of residue 4
P1400
P5537
P4225
Atom HA2 of residue 75
P1915
P4537
P7857
Atom HB2 of residue 27
Atom HG2 of residue 74
P12301
P6801
P6529
P5875
Atom HG2 of residue 18
P1572
Atom CD1 of residue 23
P4605
Atom CG1 of residue 30
GridCPF
P8455
P2532
P5809
Atom C of residue 22
VAL
P13000
Atom C of residue 40
P7447
P7078
Atom HG of residue 69
P8029
P84
P3956
P1325
P6058
ASP
P6030
P7764
P6986
P7264
P2689
P1851
P7886
P2942
P5510
P3448
P2914
P4693
P3193
P12261
P1375
Atom OE2 of residue 64
P8433
P7545
P6224
P8332
P0
P10257
P6978
P7053
P6096
P4634
P2325
Atom HD21 of residue 69
P8218
P10968
P2920
P4935
P1533
Atom CG of residue 73
P1619
Model 206
P3420
Atom CB of residue 58
P7052
P2425
P2904
P8158
P2214
P2699
P2375
P5605
P3374
P7145
P7766
P5333
P5558
Atom CG of residue 6
Atom CB of residue 40
P3587
P8681
P2801
P0
P3426
Atom HD11 of residue 8
Atom HG23 of residue 36
P2426
Atom HB2 of residue 34
Atom CA of residue 21
P7175
P2902
P8337
P6021
Atom HD12 of residue 67
P7951
Atom CA of residue 66
P3410
P7306
P8017
P2206
P2981
P3487
P6429
Atom HG23 of residue 30
P100
P2281
P2980
P3486
P5538
Atom HH22 of residue 74
P8556
Atom HB3 of residue 27
P8434
P6160
P6032
P1446
P1963
P4788
P3855
P11681
P5417
P2181
P4864
P5876
Atom HA of residue 23
P1401
Atom HA of residue 30
P3645
P1852
Atom CG2 of residue 30
P4693
P4208
P4436
P8456
P1376
P2533
P3131
P13001
P2589
P7700
P4226
P1916
Atom HA of residue 14
P4538
Atom HG3 of residue 18
P6802
P2326
Atom HD11 of residue 43
P7330
P8030
P2365
P7887
P5417
P6530
P7241
P12262
Atom O of residue 56
P1573
Atom HD2 of residue 19
P6225
P4606
P2393
P8402
P6096
P6594
Atom C of residue 27
P157
Atom CB of residue 21
P5810
Atom CA of residue 26
P7079
P8338
P9612
P4006
P7691
P3957
P95
Atom HD13 of residue 67
P5336
LEU
P6031
P7765
P7265
P2803
Atom HA3 of residue 75
P2943
P5128
P5511
P3449
P8219
P2915
P4694
P6430
Atom O of residue 43
P3194
P5418
Atom CG of residue 58
P1313
P8543
P7546
P8159
P8333
P2
P10258
P6979
P7054
P7858
P6059
Atom CD1 of residue 73
P8266
P4635
P371
P12300
P1875
P10969
P2921
P4936
P2426
Atom HD11 of residue 36
Atom HB3 of residue 34
P5418
P3375
P3421
P1534
P6097
Atom CB of residue 12
P6987
P2905
Atom CG of residue 40
P7448
P8018
P2700
P11682
Atom CG of residue 21
P5559
P3588
P8557
P2802
P100
P3427
P7767
P6161
P6033
Atom C of residue 66
P7952
P2508
P3411
P2982
P6022
P3488
P8457
P7053
Atom HD3 of residue 19
P2981
P7307
P3487
P1964
P7146
P8435
P2182
P8544
P6803
P2215
Atom HD12 of residue 43
P4789
P7331
P5606
P3856
P1
P4865
Atom HE2 of residue 48
P5877
P7701
P2282
P5539
P3646
MovedSingletonContainer7
P2394
P4694
P4209
Atom HB2 of residue 20
P8403
P181
P1917
P6595
P4437
Atom O of residue 64
P3132
P1574
Atom HG21 of residue 23
P2590
P2335
P4227
Atom HD11 of residue 69
P7176
P7692
Atom HH of residue 59
P4539
P5419
Atom CA of residue 69
P1616
P6032
P7766
P2427
P8682
Atom N of residue 76
P2366
P5512
Atom HB of residue 14
P7242
Atom HG3 of residue 6
P4607
P2903
P6097
P4007
P6060
Atom CB of residue 56
P1785
P2327
Atom N of residue 75
P8339
P7888
P9613
P5419
P5130
P3958
Atom O of residue 27
P12263
P5337
P7266
P2944
P3450
P2916
P4695
P6431
P3195
Atom HD21 of residue 67
P2534
P6098
P1319
Atom OG1 of residue 12
Atom C of residue 26
P6988
P8160
P1876
P8031
P6531
P7859
Atom H of residue 27
P4636
P2427
P1402
P6226
Atom CB of residue 3
P2922
P5420
P5811
Atom HD2 of residue 38
P7081
P75
P3422
Atom O of residue 43
P7953
P2509
P13002
P2906
P7449
Atom HG2 of residue 34
P2701
P8220
Atom N of residue 60
P7054
P5560
P12302
P7547
Atom CB of residue 13
P3589
P8683
P8019
P5420
P10259
P3376
P6980
ScoreState 7
P7055
P7147
P3428
P4937
Atom OD1 of residue 21
P8251
P1870
P5607
P10970
P13562
P3
P6162
P2
P6034
P3412
P2283
P5540
Atom CA of residue 30
P8334
P2983
P2367
P3489
P2377
Atom CD of residue 40
P2982
P1404
P2216
P3488
Atom HD12 of residue 69
Atom HD2 of residue 11
P1535
P8545
P2395
P4790
P3060
P9614
P78
P3857
P7243
P4866
P101
P7702
P3647
P1853
P8558
PairScore 10
P4695
P4210
P2904
P6098
P6596
P4438
P8458
P7768
P5421
P3133
P6804
P2591
P4228
GLY
JeffreysRestraint_P0
P7177
P7889
P5131
P7693
P4540
P12264
Atom CB of residue 64
P6023
Atom CD1 of residue 3
ListSingletonContainer489
Atom OD1 of residue 58
P2242
P12303
P2434
Atom CG1 of residue 23
P7308
P2428
P1786
P4608
P8032
P5421
P6532
P7860
P5878
P1617
P6033
P7767
P13003
GLU
Restraint 90
P3959
P13563
P11683
Atom HD2 of residue 68
P8436
P6061
P5812
P7267
Atom HD12 of residue 36
P1965
P8404
P3571
P2945
P3451
P2917
P4696
P3196
Atom HA2 of residue 10
Atom HE3 of residue 48
P6989
P7450
P1384
P2328
P7332
P1
P3
P5513
P6099
Atom CZ2 of residue 63
P4637
Atom O of residue 26
P7548
P10260
P6981
P7056
Atom HB2 of residue 1
P2923
P4938
Atom HA of residue 27
P2183
P2510
P8559
P2376
P8221
P1918
P10971
P4008
P3423
P5339
P372
Atom CD of residue 18
P2907
P8335
P2396
P2207
P2702
P7055
P5561
Atom OE1 of residue 40
P8161
P3590
P1854
P1871
P8684
Atom CE of residue 6
P8340
ASN
P7148
P2535
P7954
P3429
Model 109
Atom CG1 of residue 13
P2336
Atom NE of residue 42
P1877
P182
P6432
Atom HD22 of residue 67
Atom CB of residue 43
P158
P3413
P2435
P6227
P2984
P2905
P3490
P5608
P8459
P1536
P8253
P6805
P7080
P2983
P3489
P2429
P5541
P7178
P8405
Atom CD of residue 49
P6163
GLY
P4791
P3858
P430
P4867
Atom CG2 of residue 12
P3648
P8020
Atom N of residue 72
P4696
P4211
P11684
P4439
P7769
P3134
P5879
P6034
P7768
P2428
Atom CA of residue 4
P2592
P1307
Atom CA of residue 16
P4229
P5132
P3377
Atom HA of residue 4
P7244
P4541
Atom OD2 of residue 58
P8437
P2243
P6035
Atom CB of residue 2
P1966
Atom H of residue 5
P6024
P7890
P2370
P4
P6099
P12265
P1330
P2184
P12304
P2511
P2
P4609
P7309
P7333
P13004
P7703
P2208
P8033
P2378
P6597
P3960
P13564
Atom N of residue 28
P5813
P8546
Atom HE1 of residue 4
P7268
P1385
P2329
Atom CA of residue 76
P2946
P3452
P2918
P4697
P7694
P3197
P49
P7861
Atom CZ3 of residue 63
P8254
Atom CA of residue 72
P4638
Atom CB of residue 26
P7549
P8162
P8341
P3061
P10261
P1919
P6982
P4009
P7057
P2924
P7955
P7451
P2284
P1787
P8560
Atom HD13 of residue 13
P5514
P6433
P10972
P3424
Atom CA of residue 39
Atom O of residue 10
Atom HZ1 of residue 48
P1576
P2908
P2703
P5422
P6062
P5562
Atom HG2 of residue 18
P6990
P3591
P1878
Atom HD13 of residue 69
P9615
P157
P6533
Atom HD2 of residue 6
P3430
Atom CA of residue 28
P6164
P2217
Atom HD13 of residue 36
P1
P6100
Atom H of residue 12
P3414
P7082
P6228
P2985
P3491
P5422
P11685
P7770
P2984
P3490
PairsRestraint 9
Atom HH12 of residue 74
P8406
P8222
P5338
P7056
P6806
P3
P2285
P8685
P8336
P4792
P6025
P2369
P6100
P3859
P7149
P4932
Atom NE2 of residue 49
P433
P4868
Atom HZ2 of residue 48
Atom OE1 of residue 31
P1405
P2337
P3649
Atom C of residue 16
P1872
P7310
P8021
P4697
P4212
P7334
P7179
Atom CA of residue 60
P4440
P2536
P3135
P5880
P2593
P7704
P4230
P5133
P6598
P4542
P6035
P8547
P7769
P2429
P6036
P5609
P7695
Atom CG of residue 43
P7862
Model 388
Atom HD23 of residue 67
P3
P5542
P4610
P2397
Atom C of residue 72
P2379
P6534
P2
P1855
Model 190
P1967
Atom C of residue 76
P2906
ListSingletonContainer17
P3961
P8460
P2185
P7452
Atom O of residue 12
P7269
P1788
P2947
P5515
P3453
P2919
P4698
P3198
Atom C of residue 28
P8255
P2218
P8034
P3378
P1537
P8438
P2244
P4639
P12305
P6991
P8163
Atom OD2 of residue 21
P8337
Atom HD21 of residue 69
P7891
ASN
Atom HA of residue 2
P7245
P2925
P12266
Atom C of residue 39
P102
Atom NE2 of residue 31
P1577
P13006
P8223
P3425
P7956
P5814
P2909
P7083
P2704
P4010
Atom CD of residue 6
P6063
P5563
Atom CG1 of residue 26
P6229
P3592
Atom HG12 of residue 5
P9616
P13565
P3431
P5334
P7057
P7550
P1311
P8686
P82
P10262
P6983
P7058
P7150
P4933
P6101
P8201
Atom H of residue 58
P2512
P3415
P2338
P2986
P7180
P8342
P3492
P10973
Atom CD1 of residue 43
Atom CG1 of residue 13
P2430
Atom O of residue 40
P1386
Atom H of residue 21
P2985
P2430
P3491
P2330
P3062
P5134
P6434
P11686
P4543
P159
P6037
P1406
Atom N of residue 37
P1856
P1873
P8561
P4793
P1920
P3860
Atom C of residue 60
P5423
P8439
P4869
P3650
P8022
P4213
P4698
P6101
P7246
P4441
P1655
P3136
Atom CH2 of residue 63
Atom HZ3 of residue 48
P2594
P7705
P4231
P2907
P6026
P2380
P6599
P8461
P373
Atom CB of residue 12
Atom O of residue 16
P7311
P2209
P5610
P5423
P7696
P50
P6165
P5543
P4611
P7335
P8035
P6535
P2537
P7863
P7771
P12306
P6807
P1879
P2286
P8407
P3962
Atom O of residue 39
P1540
P6064
Atom HA of residue 58
P5881
P7270
Atom HG2 of residue 49
P8343
P2948
P2368
P5516
P3454
P3379
P2920
P4699
P3199
P8252
P5815
P2245
P7551
P7453
P1574
P1968
P8202
P6036
P8548
P7770
P4640
P6992
P8338
P7892
Atom C of residue 98
P13566
P2926
P12267
Atom N of residue 68
Atom H of residue 49
P1312
Atom CB of residue 16
P2398
Atom H of residue 70
P10263
P8224
P6984
P6435
P3426
P7059
Atom N of residue 9
P6102
P2186
Atom N of residue 64
Atom HA of residue 12
Atom H of residue 31
P2910
P7084
P2705
P10974
P5564
P3593
P2431
Atom O of residue 76
P3063
Atom CD1 of residue 30
P3432
P5335
P7058
P8164
PRO
P8562
Atom HD22 of residue 71
Atom CD1 of residue 4
Atom HE21 of residue 49
P1921
P7151
Atom CB of residue 15
P3416
Atom HA of residue 21
P6230
P1880
P2210
P2987
P3493
P1839
P2381
P2
P13005
P2986
P2316
P3492
P7181
P6027
P4544
P8462
Atom CD2 of residue 45
P2538
P7957
P7772
P431
Atom CG2 of residue 26
P1387
P2339
P7312
P2331
phys
P4794
P5611
P3861
von Mises sufficient 15
P5424
P8440
P4870
P6166
P8549
P5544
P3651
P4214
P4699
P7336
P1553
Atom O of residue 98
P4011
P4442
P3137
P2513
P2595
P1789
P4232
JeffreysRestraint_P0
P8408
Atom HA of residue 30
P1656
P5882
P9617
P5517
P5424
Atom HA of residue 49
Atom HA of residue 18
P6038
P2219
P2287
P4612
P8687
P1575
P8023
P11687
Atom HG3 of residue 11
P6808
Atom HD22 of residue 69
P7893
ILE
P3963
P12268
P2049
Atom CA of residue 31
P1782
P7271
P7706
P1969
P2949
P8344
P3455
P2921
P4700
P6436
P6102
P6600
P3200
Atom HD3 of residue 6
Atom HB2 of residue 58
P5816
Atom HB of residue 12
P1575
P7552
P2908
P5135
P7697
Atom CG of residue 39
P8203
Atom N of residue 49
P6037
P7771
P4641
Atom H of residue 76
P1840
P3380
P6536
P7247
P2927
P2187
P2368
P8165
P1857
SingletonScore 10
P9618
P10264
P6985
P3427
P7060
P7864
Atom CA of residue 68
Atom HZ3 of residue 27
Atom CG of residue 31
P2911
Atom CG of residue 15
P7085
P2432
P1790
Atom CG of residue 16
P2706
P10975
P7773
CYS
P103
P5565
P3594
Model 168
P1330
Atom HE22 of residue 49
P8036
P3064
Atom C of residue 30
P3433
P6103
P5070
P12307
P6993
P7454
P8688
Atom HB3 of residue 54
Atom O of residue 60
P5425
P2431
P13007
P3417
P6231
P2988
P3494
P8226
P13567
P2514
P2220
P2987
P3493
P8339
Atom HB2 of residue 8
P2399
P1922
P4545
P7958
P2366
Atom H of residue 26
P1874
P4795
P6028
P5425
P3862
P1543
P4871
P7059
P8550
P2246
Atom CD1 of residue 15
P3652
P7313
P8024
P4215
P4700
P7152
P4443
Atom HB of residue 30
P3138
P6065
P6167
P6809
P2596
P2340
P1881
P1403
P4233
P1554
P9619
P5612
P5136
Atom CB of residue 98
P8463
Atom C of residue 3
P5883
P7772
P6038
Atom CA of residue 44
P7707
P3
P5545
P6601
P4613
P1858
P7182
P5518
P4012
P7698
P11688
Atom OD1 of residue 39
Atom HB2 of residue 49
Atom C of residue 31
GLN
P374
P1783
Model 349
P1388
P2433
P2332
Atom O of residue 9
P6537
P3964
P7248
ListSingletonContainer575
P2539
P8204
P6039
P7272
P2909
P2950
P1841
P3456
P4701
P6103
P2922
P13568
P3201
P8441
P7086
Atom HG2 of residue 54
P8409
P7894
Atom CB of residue 60
P12269
P160
P4642
Atom H of residue 4
P7337
P8037
P2928
P1657
P6104
P5071
P12308
P2432
Atom CD of residue 31
P6994
P8166
Atom CA of residue 37
P1576
P10
P2382
P6437
P3428
P7865
Atom HA of residue 8
Atom HA of residue 16
P13008
P2912
P1875
P2707
P5817
P5566
P2247
P1451
P3595
P8340
P2400
P3065
Atom CD2 of residue 8
Atom H of residue 11
P7959
P3434
P7455
P2288
P1791
P8689
P8345
P2367
P7060
P7553
P3418
P2989
P3495
P10265
P6986
P7153
P7061
P3
Atom HG13 of residue 3
P2988
Atom CD of residue 16
P3494
P8025
P2211
P5613
P10976
P8464
P5426
P1310
P5546
P1
P4796
Atom HG21 of residue 70
P8410
P3863
P5
P4872
P2221
P3653
P4216
P4701
P1970
P3526
P1923
P11689
P4444
P3139
P6066
P2188
Atom C of residue 44
P2597
P6232
P1882
P4234
Atom N of residue 50
P5137
P5426
P7699
P4546
Atom C of residue 68
Atom HA of residue 26
P6040
P7708
P2341
Atom CE of residue 29
P2
P8225
P6104
P6602
P7249
P8442
P6168
Atom HG1 of residue 12
P2515
P6810
P1389
P4614
P2333
P7183
P7895
P12270
P7338
P6029
P4013
P3965
P1542
P12309
P7273
P7314
P2951
P3457
P166
Atom CD1 of residue 98
P4702
P6438
P2923
P4664
P13569
P3202
P7866
P7774
P5884
P8551
Atom HB3 of residue 32
P2
P1577
P1555
P1658
P4
P432
P5818
P4643
Atom C of residue 37
P1859
Atom HG3 of residue 54
P1321
Atom CG of residue 60
ListSingletonContainer490
P2929
Atom HA of residue 11
Atom H of residue 8
P5072
Atom OE1 of residue 49
Atom HB2 of residue 16
P7456
P6995
P2212
P8038
P8346
P5519
P3429
P6105
Atom HB3 of residue 37
P1452
P13009
P7554
P2913
P2289
P2708
P10266
P6987
P7062
P2540
P5567
P1320
P3596
Atom OE1 of residue 16
P1
P3066
P10977
Atom CB of residue 30
P5427
P3435
P2383
P6538
P7061
P2248
P8167
LYS
P3419
P2990
P2910
P3496
P7154
P7960
Atom OD1 of residue 25
P7773
P6039
P1784
P2989
P1792
P3495
P7184
Atom HZ2 of residue 29
P9620
P5427
Atom O of residue 68
Atom C of residue 9
P7087
Atom NZ of residue 29
P2434
P4797
P1971
P8411
P5614
P3864
Atom HH21 of residue 54
P2189
P4873
P6169
Atom HG21 of residue 12
P6811
P2222
P1883
P5547
P3654
P8690
P8341
P2401
P4217
P4702
Atom HH12 of residue 54
P4445
Atom HE2 of residue 6
Atom HD12 of residue 8
P3140
P2433
P2598
P6233
P4235
P1578
P7339
P1842
P3381
P8227
P1924
P4547
Atom HG2 of residue 1
GaussianProcessInterpolationRestraint 32
P6041
P8026
Atom HG23 of residue 70
Atom N of residue 99
P11690
P7775
GLN
P5885
P104
P8552
P4615
P1860
P1556
P2954
P4
Atom CD of residue 37
P1876
P1
P7896
P6030
P6539
P6105
P4014
P3966
P12271
Atom CB of residue 39
P7274
P7315
P2952
P5139
P3458
P4703
P6439
P2924
P4665
P7700
P3203
P8465
Atom N of residue 55
VAL
Atom HB of residue 26
P7709
P2
P2403
P6603
P7250
Atom C of residue 7
P5819
P4644
Atom HA of residue 15
Atom O of residue 44
P1321
LEU
P2335
P2930
P7867
Atom H of residue 25
P6067
P8443
P12310
P2516
P1785
P2342
P8692
P8342
Atom HH21 of residue 54
P5520
P3430
P161
Atom HG12 of residue 23
P13010
P7555
P2914
P8168
P7088
Atom HD2 of residue 54
P2911
P2709
P10267
P3382
P6988
Atom OD1 of residue 60
P7063
P7961
P1538
P5568
P7457
P6996
P1390
P3597
Restraint 155
P2290
P8039
P3067
P9621
P10978
P51
P3436
Atom C of residue 1
Atom CA of residue 33
P13570
P5428
P5073
P375
P2249
P0
P7715
P3420
P3
P2334
Atom N of residue 71
P2991
P2
P3497
P8205
P7774
P6040
P2990
P3496
P8347
P8228
P1659
P6106
P6068
P1453
P6042
P6234
P1877
P4798
P5428
P3865
P11691
P2541
Atom CB of residue 3
P7776
P4
P4874
P3655
P4218
P1322
P4703
P4446
P8444
P3141
P7062
P6812
P1
P2599
P2223
P4236
P8027
P6031
P6106
P4548
P7155
Atom HG11 of residue 26
ILE
P7316
P2955
P8466
P5886
P1313
P4616
Atom HG22 of residue 70
P2384
P6604
P1584
P2435
P1972
P7340
P5615
P6540
P3967
P7701
P7868
THR
THR
P2190
P12311
P7275
P1391
P5548
P2402
P8412
P1557
P2953
P1843
P5521
P3459
P6440
P2925
P4666
P3204
Atom H of residue 8
P8206
P2369
GaussianProcessInterpolation64
P13011
Atom CB of residue 44
P8348
Atom ND2 of residue 60
P7251
Atom CG of residue 43
P6069
P6170
P4645
Atom CA of residue 17
P7458
P6997
P1824
P2335
P8040
P2931
P8553
Atom HB2 of residue 15
P7710
P1884
P8343
P9622
P4704
P3431
P13571
P5074
Atom HA of residue 25
Atom CD2 of residue 8
P2915
P8169
P7089
P2343
Atom H of residue 29
Atom NE of residue 72
P1579
Atom HH22 of residue 54
P7185
P2213
P7897
P2710
P163
P1925
P12272
Atom OE1 of residue 16
P5569
P1786
P3598
P1861
P2437
P3068
P5138
P4015
P7962
P1660
P3437
P5820
P2250
P2435
P2912
P8201
P2542
THR
Atom HG22 of residue 12
P3421
Atom CA of residue 44
von Mises sufficient 3
P2992
P3498
P5435
Atom CD1 of residue 43
P7063
P2517
P1454
P7556
P1314
P2991
P3497
P2385
P10268
P8229
P6989
P4549
P7156
P7064
P1539
P6107
Atom HG23 of residue 7
P4799
Atom HG3 of residue 49
P10979
P3866
P8467
P4875
P6043
Atom C of residue 33
P3656
P4219
Atom HD3 of residue 54
P4704
Model 271
P5435
P11692
P4447
P8445
P3142
P8554
P2600
P6235
Covariance1DFunction 2
P1878
P4237
P8028
HIS
Atom CA of residue 66
P2291
Atom HA of residue 29
P1793
Atom NH1 of residue 72
P8413
P6441
P6107
P1585
Atom CB of residue 28
P4617
P1647
P1973
P7341
P6032
P3383
P6605
P7252
P5
P2191
P6171
P7317
P8693
P2214
P2956
P5616
P3968
P7702
P7777
P105
P6041
P7775
Atom HG12 of residue 26
P7276
P5549
P2954
P9623
P3460
Atom CG1 of residue 98
P2926
P4667
P3205
P7869
P8207
Atom CG of residue 2
P6813
JeffreysRestraint_P0
Atom OE1 of residue 18
P8349
P8202
P5887
P4646
P7459
P1885
P2224
P1558
P5522
ListSingletonContainer221
P2932
P5821
P2518
P7711
P1580
P6541
P1926
P4705
P3432
P5429
P5075
Atom OE2 of residue 16
Atom HG23 of residue 12
P6998
P2916
P1392
von Mises sufficient 2
P2436
P2336
P7186
P7898
P2711
P5140
P12273
P1478
P5570
P7557
P3599
P2292
P3069
P10269
P6990
P7065
P3438
P6108
Atom C of residue 38
P2370
P6042
P7776
Atom C of residue 44
P1844
P5429
P10980
UnaryFunction18
P12312
P1787
Atom O of residue 33
P3422
P2344
P2993
P3499
P165
P1661
Atom HE of residue 54
Atom H of residue 54
Atom CD of residue 35
P5
Atom CB of residue 25
P7064
ARG
P1315
P8170
P7091
P2992
Atom N of residue 8
P3498
P1648
P2913
P8230
P13572
P4550
P7157
Atom CD2 of residue 43
P376
P13012
P1862
P8344
P4800
P7342
P8041
P3867
Atom HE3 of residue 6
P7778
Atom CA of residue 10
P4876
Atom CG1 of residue 29
Atom H of residue 28
P3657
P4705
Atom N of residue 55
P6033
P12
P4022
P4448
P7963
Atom C of residue 66
P3143
P8555
P2436
P2601
P6236
P7318
P1794
P8694
P4238
P5617
P162
Atom O of residue 38
P5550
P3384
ListSingletonContainer508
P8468
Atom HB2 of residue 29
P4618
P1879
P4220
Atom HH11 of residue 54
P2386
Atom H of residue 60
P6070
Atom HG2 of residue 27
P2192
P5888
P6043
P2251
P7777
P5523
Atom CG2 of residue 98
P3969
P6172
P1455
P6044
P7277
P2404
P8029
P2955
P3461
P6542
P2927
P4668
P11693
P3206
P5430
P2519
P6814
Atom C of residue 54
P2225
Atom HH of residue 59
P1559
P7899
P5141
P14
P13573
P8203
P12274
P434
P8446
P4647
P8414
P6108
P6606
P2933
P2543
Atom CA of residue 2
Atom HB2 of residue 54
P5822
P2
THR
P1845
P5430
P4706
P3433
P7703
P7253
P1586
Atom HG13 of residue 23
P12313
P13013
P1788
P2917
P1393
P2712
P8208
Atom CD1 of residue 13
P7558
P1632
P8171
P3600
P1974
P3070
P2957
P10270
P8231
P6442
P6991
P7066
P7870
P3439
P1479
Atom HG13 of residue 26
P7460
P7712
P2345
Atom CG1 of residue 3
P2337
P8345
Atom H of residue 4
P8042
P168
P10981
P3423
P1803
THR
P2994
P2914
P8350
P3500
P15
P5076
P6109
P5571
P6999
Atom O of residue 37
P2993
P3499
P1927
Atom HA of residue 60
P4551
Atom OE1 of residue 35
Atom CG2 of residue 29
Atom CB of residue 38
JeffreysRestraint_P1
Model 374
P4801
P3868
P8469
P1662
Atom HG23 of residue 23
P4877
P2293
P3658
P1880
Atom HH12 of residue 54
P4706
P8415
P4449
Atom HA3 of residue 10
P7964
P6071
Atom HG3 of residue 27
P3144
P2371
P2437
P2602
P1886
P8695
P4239
P7187
P6034
P7065
P1317
Atom O of residue 44
P7319
P8030
P9624
P7158
Atom OG1 of residue 66
P5431
P2544
P2252
P6815
P1633
P7090
Atom OG1 of residue 9
P4619
P4221
P5618
P175
P7254
P8447
P5889
P1456
P5551
P6607
P3970
Atom HB3 of residue 68
Atom HB2 of residue 43
P6045
P7278
P6237
Atom CB of residue 72
P2215
P2956
P5524
P3462
P5431
P6443
P2928
P4669
P7704
P11694
P3207
P2193
Atom N of residue 13
P12314
Atom HG21 of residue 26
P7343
P5142
P71
P13574
Atom O of residue 17
P8209
P437
P6173
P8556
P4648
Atom O of residue 54
Atom CA of residue 60
P1975
P7188
P3385
P6109
P2934
P7461
P1394
P1863
P2339
P7900
P9625
P2387
P4707
P3434
P8204
P12275
Atom HB3 of residue 54
P13014
P2918
P2438
P2713
P2
P8351
GeneralizedGuinierPorodFunction 14
P1587
P7779
P5077
P6110
P7000
P8172
P7713
P3601
P3071
P7871
P3440
P1887
Atom HA3 of residue 53
P88
P5823
Atom CA of residue 28
P3424
P2995
P8043
P3501
P6543
P1928
P7965
Atom CG2 of residue 66
P2545
Atom N of residue 11
P106
P2372
P5572
Atom N of residue 33
P2994
P3500
P1450
P1846
P1663
P6072
P7066
P2520
P7559
Atom CB of residue 44
P1795
P1649
P2405
P4802
P1560
P10271
P6992
P4021
P3869
Atom HB2 of residue 60
P4552
P7159
P7067
P4878
P2226
P3659
P4707
P8416
P2216
P7189
P2958
P5619
P10982
P4450
P3145
Atom HD11 of residue 23
Atom CG of residue 8
P6044
P7778
P2603
P5552
P4240
P8346
Atom HB3 of residue 43
Atom HD1 of residue 68
P6046
P1634
P7092
P8031
P11695
P1480
ILE
P2294
P4620
P1864
P8691
P4222
P7344
P6544
P163
P6174
P8557
P2438
P1789
P3386
P6110
P6608
P3971
P2194
P6816
P0
P7279
P6238
P2915
P2957
P7901
P9626
P3463
P2388
P6444
P2929
P4670
P7705
P8205
P3208
P12276
P7780
Covariance1DFunction 17
Atom N of residue 54
P6035
P5143
P8470
P377
P4649
P1316
P7320
Atom CA of residue 55
P0
P2935
P7872
Atom HZ1 of residue 6
Atom CB of residue 17
P5890
P2373
Atom CG of residue 2
ListSingletonContainer355
P4708
P3435
P8448
P5824
P12315
P2919
P2346
P1796
P1650
P2406
P8347
P1976
P2714
P5432
P5078
P7462
P7001
P7714
P3602
P2227
P1881
P3072
P5525
P3441
Atom HG2 of residue 54
P6111
P6073
P7560
P3
P10272
P6993
P7068
P2253
P3425
P2996
P3502
P5432
P10983
P13575
P5573
P6045
P7779
Atom CB of residue 54
P13016
P1888
P2995
P1865
P3501
P8165
P7255
P8210
P7067
P8173
P7093
Atom CB of residue 49
P2394
P8044
P8352
P2959
P4023
P3870
P4553
P7160
P1588
P7966
P1481
bonded
P1
P4879
LYS
P3660
P1320
P4708
P8419
P1561
P4451
P3146
P3
P1790
P2604
P2340
P4241
P5620
P6545
Atom HB3 of residue 60
P8449
P6817
Restraint 130
P1459
P5553
P0
Model 304
P7781
P2521
Atom HG23 of residue 44
P6239
P4621
P2439
Atom HE of residue 54
P1847
P5144
P8471
Atom HB2 of residue 27
LYS
P6047
P2347
P2269
P7346
P2916
P1929
P3972
P11696
P5891
P7280
P2958
P3464
P32
P2930
P4024
P4671
P3209
P435
P12316
P1318
P8032
Atom C of residue 55
P6036
P7902
P9627
P6111
P12277
P1664
P5433
P8211
Atom HB3 of residue 72
P2254
P4650
Atom HG22 of residue 26
P1397
Atom CG of residue 49
ARG
P1882
P7321
P1541
P8353
LYS
P2936
Atom HG3 of residue 54
P2295
P3387
P4709
P3436
P6609
Atom H of residue 23
P5825
P8558
P2439
Atom HD11 of residue 44
P2920
Atom CG1 of residue 44
P2407
P8348
P2715
P2389
P5433
P6446
P7706
P13576
Atom HD2 of residue 68
Atom CG of residue 54
P1635
P3603
P8166
P8420
P5526
P3442
P6175
P6046
P7780
P7561
P8174
P1977
P8045
P10273
P6994
P4026
P7069
P1589
P7873
P7967
Model 148
P7094
P3426
P2228
P2997
P7190
Atom HG21 of residue 44
P3503
P10984
Atom HG3 of residue 72
P2195
P5574
P2996
P3502
P2440
P2341
P3073
Atom HD21 of residue 60
Atom C of residue 29
P8206
P5079
Atom H of residue 43
P2153
P7463
P7002
P3871
P4554
P89
P7263
Atom CA of residue 9
P4880
Atom CG2 of residue 13
P1889
P3661
Atom HE1 of residue 59
P4709
ListSingletonContainer220
P4452
P8472
Atom O of residue 66
P1425
P6112
P3147
Atom HD13 of residue 8
P1460
P2605
P6048
P8256
P4242
P2217
P2960
P1930
P11697
P1482
P8450
P2374
P8559
Atom HG23 of residue 26
P1451
P4025
Atom HE1 of residue 68
P7068
P6818
P13015
P1414
P7716
P4622
P8033
P3077
Atom O of residue 55
Atom HG23 of residue 44
P1848
P6037
P6112
P7161
P7782
P5434
GaussianProcessInterpolation1
P2440
Atom HG22 of residue 12
Atom CG2 of residue 44
P7322
P3973
Atom HB3 of residue 27
P5892
P7281
Atom HG3 of residue 1
P6240
P2270
P2959
P3465
P2931
P6546
P4672
P6610
P3210
P7256
P2255
P1398
Atom CD of residue 49
P1651
P5434
P5621
P7707
P8212
P4651
P5554
P1564
P8354
P5527
P2937
P1665
P6074
P6176
P6047
P7781
P2296
P4710
P3437
P8207
P378
P2522
P2921
P1636
Atom CA of residue 54
P7345
P7191
P2917
P2716
Atom HD2 of residue 72
Atom HD12 of residue 44
P1791
P3604
P1797
P8167
P8421
ListSingletonContainer115
Atom O of residue 29
P3443
P5080
P7003
P8175
P1978
P2218
P7903
P9628
P5145
P12278
P164
P2196
Atom C of residue 34
P7095
P3427
P2998
P3504
P3388
P7968
Atom CG1 of residue 30
P5826
P5575
P12317
P2154
P7464
P2997
P1866
P3503
P8257
P2342
P3074
P1590
P7874
P6075
Atom N of residue 27
P1319
P1890
P2408
P6445
P3872
P13577
P1426
Atom HA of residue 43
P4881
P7069
P7562
P3662
P8349
P4710
P2390
P10274
P6995
P7162
P4453
P7070
P7257
P4555
Atom HZ2 of residue 6
P6113
P3148
P2606
P2229
P1883
P1652
P1452
P4243
P52
P1931
P10985
P8560
P13017
P6049
Atom HD3 of residue 29
P2271
Atom HD11 of residue 44
P1849
P11698
Atom O of residue 34
Atom CA of residue 54
Atom HG23 of residue 12
P4623
P2441
P8034
P3078
Atom H of residue 57
P8046
P8473
P1483
Atom CB of residue 66
Atom N of residue 69
P1457
GaussianProcessInterpolation28
P3
P6113
P3974
P1792
P7282
Atom CD1 of residue 44
Model 10
P6241
P2348
P1798
P2960
P3466
P2932
P6547
P4673
P6611
P3211
P2375
P2523
P7323
P5622
P5146
P7708
Atom HA of residue 54
P4652
Model 225
P7192
P6038
P2961
P167
P4027
P13578
P2938
Atom CG2 of residue 30
P8451
P6819
Atom C of residue 54
P2918
P4711
P3438
P8208
P7783
P4
P6177
P5893
P2922
P1395
Atom HB2 of residue 40
P5555
P2717
P5528
P7258
Atom HB of residue 22
P5827
P12318
P1
P8168
P4
P6996
Atom HD22 of residue 60
P7875
P3444
P5081
P8213
P6076
P2256
P0
P7004
P7096
P1867
P1884
P7904
P9629
P10986
P12279
P1317
P7563
1G6J_MODEL1.pdb
P3428
P2297
Atom OE1 of residue 49
P8350
P7347
P2999
P3505
P10275
P7071
P1666
P6114
P5576
P7465
P3076
P2998
P3504
Atom HG3 of residue 1
Atom HA of residue 57
P8355
P3075
P6447
P436
P13018
P1637
P1322
Atom HE2 of residue 29
P8417
P3873
P4882
P7070
P2441
P8176
P2349
Atom HG2 of residue 40
P2
P3663
P2338
P1568
P4711
P8047
P7163
P4454
P1591
P4556
P8474
P5436
P3149
P2607
P7717
P4244
P1566
P2391
P2197
P2524
P2230
P3389
ListSingletonContainer509
P1484
P7969
Atom H of residue 72
P4624
P7324
P8258
P1653
P3079
P5436
P5623
P1932
P1330
P1458
P1823
P2409
P2272
P7193
P3975
P8452
ScoreState 32
P6048
P7782
P2155
P7283
P2961
P3467
P2933
P4674
Atom N of residue 61
Atom HB2 of residue 28
P3212
Atom HZ2 of residue 11
P128
P5894
P6149
P5556
P5529
P170
P5147
Atom C of residue 76
P4653
P12319
Atom CG1 of residue 44
P6050
P1793
Atom H of residue 44
P1891
P8035
Model 62
P13579
P11699
P2939
P8214
P8561
P6820
P2442
P7348
P2219
Atom HB of residue 44
P7905
P9630
P4712
P4028
P3439
P12280
P7784
Atom HG21 of residue 22
Atom CA of residue 13
P2923
Atom CG of residue 42
P6242
P1979
P2718
P6039
P178
P6114
P6612
Atom N of residue 73
P5828
P2257
Atom HD3 of residue 72
P8169
P0
P1455
P8356
P6448
P6997
P7709
P7876
P3445
P6178
P6049
P7783
P1323
P1396
P8259
P1562
P8418
P1850
P2392
P10987
P1667
P6077
Atom C of residue 13
P2376
Atom HD13 of residue 44
P7564
Atom CA of residue 1
P8177
P3429
P3000
P3506
P10276
P7072
P8210
Atom HG13 of residue 26
P1427
P5577
P1638
P7718
P2999
Atom NE2 of residue 49
P1885
P3505
P165
P1
P13019
P2298
Atom HG3 of residue 40
P2410
Atom HB2 of residue 57
P2812
P2962
P3874
P1592
P5082
P6115
Atom CB of residue 34
P4883
P7005
P3664
P4712
P4455
P4557
P2198
P3150
P2608
P1868
P4245
Atom C of residue 2
P8048
P3390
P7724
P5437
P379
P2156
P7466
Atom CG2 of residue 44
P1324
P8351
P2919
ListSingletonContainer356
P1933
P4030
P7970
Atom O of residue 30
Atom CA of residue 27
P6150
Atom O of residue 54
P4625
P2220
ListSingletonContainer262
Atom O of residue 76
LEU
Atom HA of residue 72
P7071
P7097
Atom HA of residue 44
P7325
P8036
P5437
P3976
P7259
P7164
P8562
P6821
P7284
P2443
P1654
P2962
P3468
P5624
P2934
P3282
P4675
P3213
P7785
P5895
P1892
P1799
P5557
P3080
P1980
P7349
P6040
ILE
P6613
LEU
P4654
Atom C of residue 15
P2442
Atom HE of residue 72
Atom N of residue 45
P6051
Atom HG3 of residue 29
P5530
P11700
P2940
P8475
P7877
Atom HG22 of residue 26
P1428
Atom O of residue 13
P6050
P7784
Atom CA of residue 3
P7719
P2231
P5149
P4713
P3440
P1485
Atom O of residue 13
P2924
P1794
P6243
P1869
P2719
P6115
P8453
P6179
P12320
P8352
P7906
P9631
P6449
P12281
P3446
Atom HZ3 of residue 6
Atom CD1 of residue 8
P2377
Atom CB of residue 54
P8260
P5083
P6116
Atom CG of residue 34
P6855
P7006
P8178
P3430
P2273
P3001
P2920
P1851
P3507
P7710
P5578
P3000
P3506
P1563
P2963
P13580
P13020
P7467
P7098
P8170
Atom N of residue 14
P2813
P4029
P3875
P7971
P8215
P4884
P2258
Atom C of residue 27
P6151
P1886
P3665
P4713
P8357
P10988
P4456
Atom CA of residue 69
P3151
P7072
P2525
P7565
P1800
P4246
Atom HB3 of residue 57
P7194
P10277
P6998
P7073
P7165
P6078
GeneralizedGuinierPorodFunction 21
SingletonScore 6
P2443
P1655
P5625
P8209
P7260
P8454
Atom CD1 of residue 44
P2350
P5558
P4626
P8049
P3391
P4558
P1668
Atom CA of residue 73
Atom CB of residue 30
P2157
P6052
P2299
Atom H of residue 49
P8037
P3977
P11701
P8476
P1429
Atom CB of residue 13
P1639
P7285
Atom O of residue 33
P2221
P2963
P3469
P2935
P3283
P4676
P3214
Atom HB of residue 23
P2378
Atom HD2 of residue 29
P2411
P3081
P6041
P6116
P6614
P1486
P129
P4655
P6822
P6244
Atom NE2 of residue 40
Atom HG of residue 57
P7195
P1852
P7907
P9632
P2941
P1593
P12282
P7786
P5438
P8216
P5896
Atom O of residue 15
P1795
P7720
P8358
P4714
Atom CA of residue 61
P3441
P7878
P1439
P6856
P6051
P7785
P2925
P2232
P7326
P1599
P7350
P2720
Atom H of residue 76
P2199
P2444
P8353
P5438
P1934
P6450
P13581
P3447
Atom CD of residue 34
P13021
P8171
P2274
P2393
P7261
P5084
Atom HG21 of residue 3
P2526
ASP
P7007
P3431
Atom CG of residue 54
P3002
P3508
P5531
P7711
P2334
P6117
P5579
P7566
P1893
P3001
P2351
P3507
P10278
P6999
P7074
P7166
P2259
P7468
P7099
P1887
P2921
Covariance1DFunction 18
P2814
P10989
P3876
P1487
P4885
P3666
P4714
P8050
P2964
P5148
P4032
P4457
P1669
P3152
P7073
P12321
P8179
Atom HA of residue 49
Atom HB of residue 44
P4247
P8211
P8477
P6079
Atom C of residue 73
Restraint 26
P8261
P8455
Atom HG2 of residue 34
P1325
P4627
P6042
P5626
P4559
P7972
P380
P6823
P1640
Atom CG of residue 33
P5559
P7196
P3978
P7787
P5439
THR
P5897
P7286
P7721
P6152
P2222
P2964
P3470
P2936
P3284
P4677
P3215
P6857
P2158
Atom O of residue 27
P6053
Atom H of residue 76
P3082
P1
P11702
P1594
Atom HA2 of residue 76
P2200
P149
P6180
P4656
P2444
Atom HB of residue 44
P2300
Atom HG13 of residue 44
P1870
ListSingletonContainer249
P5439
P6451
Atom C of residue 61
P2942
P8217
Atom O of residue 73
Atom CB of residue 18
P8038
P1600
Atom N of residue 58
P8359
P7908
P9633
P2394
P6117
P4715
P3442
P12283
Atom CA of residue 101
P2926
P6245
P7327
P7351
P8342
P2721
P3392
P1935
P5
LEU
P2527
P1453
P2275
P6615
P2335
P3448
LYS
Atom O of residue 42
Atom HG11 of residue 26
P102
P8172
P3432
P1894
P2233
P2412
P1656
P3003
P3509
P5150
P5532
Atom CE of residue 11
P130
P5580
Model 124
P7567
P1326
P8180
P3002
P3508
Atom O of residue 2
P10279
P7000
P4033
P4
P7075
P8212
P7879
Atom HH22 of residue 72
P6080
P438
P6052
P7786
P12322
P8262
P2815
P10990
P3877
P1430
P4886
Atom HG3 of residue 34
P2445
P3667
P4715
P7712
P13582
P4458
P1670
P5085
P3153
P2379
Atom CB of residue 31
P2159
Atom CB of residue 27
P7008
P1796
Atom CD of residue 54
Atom CG2 of residue 36
P8354
P4248
P2922
P177
P5440
Atom HB2 of residue 49
P6153
P8343
P6118
P6054
P7469
P7101
Atom HA2 of residue 76
P4628
P7355
GaussianProcessInterpolation2
P11703
P4560
P7167
Atom O of residue 9
P6181
P13022
Atom HG12 of residue 44
ListSingletonContainer471
P1801
P6043
P5440
P3979
P8478
P7074
P6824
P7287
P1454
P8039
P7197
P2965
P3471
P6118
P2937
P3285
P4678
P3216
P7788
Atom CG of residue 4
Atom N of residue 7
P7973
Atom C of residue 42
P2260
Atom HG21 of residue 44
P7328
P3083
P2223
P2965
P166
P2313
P5898
P4657
Atom CG of residue 18
P7722
Atom H of residue 36
P8051
P1853
P2395
P6616
P2943
P7262
P1488
P2352
P5627
P4716
P4031
P3443
P13583
P2
P8456
P2201
P6858
P12323
Atom CB of residue 73
P2927
P6246
P1871
P1888
P5560
P1657
P2722
P5533
P20
Atom CD of residue 33
P0
P3449
Atom CA of residue 15
P1641
P2301
P2234
P5151
P0
P8218
P1431
P2445
P3433
P2446
P2413
P3004
P3510
P2336
P5086
P5581
P7009
P8181
P3003
P3509
Atom NE of residue 54
P8355
P1601
P7909
P9634
P8213
P12284
P7880
P441
P6053
P7787
P13023
P1802
ASP
P2276
P8360
P2816
ListSingletonContainer116
P3393
P7713
P3878
P7168
P4887
P1797
P7470
P23
P3668
P8173
P2923
P22
P6452
P4459
P6081
P3154
Atom CD2 of residue 15
Atom H of residue 71
P4249
ILE
P1936
P8479
Atom HA3 of residue 76
Atom CA of residue 42
Atom N of residue 24
P7075
P7568
Atom CA of residue 73
Atom HA3 of residue 76
P7352
P8344
P1854
P2396
P10280
P7001
P7076
P1597
THR
P7974
P6119
P2261
P12324
Atom CA of residue 25
P6154
P4629
P4716
P10991
P4561
P6055
P7723
P8263
P8052
P3980
P11704
P1671
P2380
P2528
P7288
Atom CE of residue 33
P2353
P8040
P2966
P3472
P2938
P3286
P4097
P4679
P3217
P8457
Atom HB2 of residue 34
P6859
Atom CD of residue 18
Atom C of residue 101
P1895
Atom HA of residue 36
P3084
P6119
P1489
P5441
P169
P8219
P4658
P1872
GeneralizedGuinierPorodFunction 16
Atom NH1 of residue 42
P6617
P7169
P2314
P6182
P1642
Atom C of residue 73
P7100
P1889
P7329
P6548
P5628
P4717
P3444
P13584
P2160
P2446
P2928
P5561
P6044
P2723
P5441
P6825
P7198
P2944
P3450
P7789
P7881
P2202
Atom H of residue 15
P5899
P6054
P7788
Model 325
Atom CG of residue 73
P2235
Atom CA of residue 58
P8361
P2966
P5152
P5534
P4034
P381
Atom CG of residue 27
P3434
Atom HG22 of residue 44
P8264
P8174
GeneralizedGuinierPorodFunction 59
P1602
P2224
P3005
P3511
P180
P6453
Atom HZ1 of residue 11
P5087
P6082
P5582
P12326
P7010
P3004
Atom HA of residue 71
P6247
ListSingletonContainer388
P3510
P7910
P9635
P3394
P2337
P8214
P12285
Atom CA of residue 24
P6183
P13024
P7569
P7353
P2817
P10281
P7002
P7714
P3879
P7077
P6120
P4888
P7471
P2302
P3669
P1937
P10992
P7170
P4460
Atom CA of residue 14
P3155
P1896
P2447
P4250
P2414
P2277
P1672
P1432
P110
P7076
P8182
P2354
P4098
P7975
Atom HB3 of residue 21
Linear1DFunction 10
Atom H of residue 44
P4630
P8356
P1658
P4717
P2
ListSingletonContainer223
P1598
P4562
P5442
P171
P3981
P2262
P7289
P7724
P6155
P7330
P6549
P8053
P2967
P5629
P3473
P2939
P3287
P4680
P3218
P7264
Atom HD11 of residue 15
Atom CD1 of residue 73
Atom NZ of residue 33
P5562
P3085
P5442
P4037
P8220
Atom HB3 of residue 34
P4659
Atom O of residue 101
P1798
P7102
P76
Atom HB2 of residue 48
P0
P5900
P2161
6lyz.pdb
P0
P8345
P5535
P4718
P3445
P12286
P8480
P12325
P6056
P2929
Atom HG23 of residue 44
P1803
P8041
P6045
P2724
P11705
P2203
Atom CD of residue 27
P2529
P6826
P1643
Atom CZ of residue 54
P7199
P2924
P7911
P9636
P2967
P2945
P8215
P3451
P7790
P8458
P2381
P8357
P1823
P2225
P1855
P2397
P5153
P6120
P6618
P6184
P3435
P8265
P8175
Atom C of residue 23
P3006
P3512
P169
P6454
P7882
P439
P6860
P5583
P6055
P7789
P2447
P3005
P6248
P1890
P3511
P1873
P1659
Atom HG2 of residue 48
P6083
P7570
Atom H of residue 14
P8183
P2818
P10282
P7003
P3880
P13585
P7078
P7976
P2315
P4889
P2236
P3670
P3395
P10993
P2338
P4461
P1433
P3156
Atom HD12 of residue 15
P1897
P2303
Atom O of residue 36
MET
P4251
Atom OH of residue 59
P8362
P7265
P6121
P5088
P7011
P6156
P2278
P35
Atom H of residue 7
P6
P13026
P4631
P4718
Atom N of residue 57
P7715
P4563
Atom HE22 of residue 41
P8460
Atom CD1 of residue 45
Atom HA of residue 44
P1799
P7472
P7103
P1804
P3982
Atom HB3 of residue 69
MD 7
P1595
P5443
P7290
Atom NH1 of residue 54
P6550
P8346
P2968
P3474
P2940
P3288
P4681
P3219
P8481
P167
P2274
P7077
P6861
P7331
P8042
P3086
Model 277
P1856
P6046
P2263
P4660
P6827
P2448
P2415
P7200
P8054
P5443
P5630
P4035
P7791
P5901
Atom CE of residue 27
Atom HB2 of residue 71
P5563
P5154
P4719
P3446
P6619
P8221
P6057
P2930
P2355
P2925
P2725
P77
P5536
P1938
P11706
P7171
P1673
P7883
Atom CZ of residue 42
P6056
P7790
P12327
P1644
P7725
P1603
Atom CB of residue 4
P7356
P2968
Atom HD11 of residue 69
P2946
P3452
Atom CB of residue 15
Atom HB2 of residue 11
P2382
P6249
P8358
P6121
P13586
P2316
Atom CB of residue 33
P3436
P2237
P1891
P3007
P8365
P3513
P7912
P9637
P36
P6455
Atom HD12 of residue 23
P5584
P3006
P3512
Atom H of residue 59
P7266
P6122
P5089
P382
P7012
P8184
P2304
P2819
P8199
P3881
P2339
Atom HA of residue 8
Atom HG3 of residue 48
P4890
Atom CE of residue 1
P2530
Atom CB of residue 101
ListSingletonContainer477
P3671
P1660
SER
P7716
P4462
P7977
P3157
P6185
P7473
P8301
P8176
P4252
Atom HG23 of residue 22
P2398
P4
P4
Atom HD13 of residue 15
P8482
P2204
P7078
P3
P7571
P1898
P4632
P1874
P0
P4719
P1604
P10283
P7004
P7079
P8216
P4564
P8461
P6084
P111
P2448
P1410
P7104
P2416
P2279
Model 77
P8926
P8055
P5631
P1939
P10994
P4036
P3983
P2275
P7291
Atom HB3 of residue 71
P5564
P2226
P2969
P3475
P2941
P3289
P4682
P3220
P8222
P1434
P6862
P6058
P1800
P2356
P2449
Atom NH2 of residue 54
P8043
Atom HG1 of residue 14
P3087
P3396
P11707
P0
P1596
P4661
P8366
P2383
P2264
P13025
P1646
P1755
Atom HG12 of residue 44
P1805
P6047
P6122
P4720
P3447
P6620
P1674
Atom HG21 of residue 14
P6828
P2931
P6157
P6551
P7201
P7913
P2726
P9638
ListSingletonContainer222
P6456
Atom HD12 of residue 69
P7172
P7792
Atom CG of residue 15
P5444
ARG
Atom NE of residue 114
Atom CG of residue 101
P7726
P8347
P2947
P3453
P7884
P6057
P7791
P2049
P7332
P7354
P1
P8200
P5902
P2531
P0
P3437
P1538
P3008
Atom CA of residue 57
P3514
P5444
P6186
P5585
P4
P3007
P6250
P3513
P8177
P8217
P2317
P5090
P1411
P7013
P2305
Atom O of residue 61
P2926
P2820
P5537
P4039
P3882
P7267
P6123
P2205
P4891
P7572
P3672
P2227
P1857
P10284
P7005
P7717
P7080
P4463
Atom CD1 of residue 15
Atom CA of residue 12
P3158
P7474
P8302
P2450
P4253
Covariance1DFunction 44
P172
P5155
Model 63
P10995
P13587
P77
Atom HG21 of residue 36
P8359
Model 92
P7
P7079
P2449
P8185
P4633
P4720
P8348
P4565
P6085
P2384
Atom HD21 of residue 15
Atom NZ of residue 27
P7105
P1661
P8927
P3984
P2340
P1435
P1837
P7292
P6048
P2970
P2969
P5632
P3476
P2942
P3290
P4683
P3221
P8483
P7978
P440
Atom HD2 of residue 48
P6829
Atom HH11 of residue 72
P6158
P5565
P6552
P2280
P3088
P7202
P2399
P1940
P7793
P4662
Atom CZ of residue 114
P13027
P1756
P7727
P8178
Atom HG21 of residue 14
P12328
P6059
P1801
Atom H of residue 54
P1875
P4721
P4038
P3448
P11708
P5903
Atom OD1 of residue 101
Atom CB of residue 5
P2240
P2417
P1539
P2727
P13588
P5445
P8462
Atom HG22 of residue 14
P6863
P1892
P1806
P8044
Atom HA of residue 59
P1858
P7914
P9639
P6123
P2948
P3454
P2357
P7333
P8056
P5156
P3397
P8223
P2276
P2932
Atom HG23 of residue 36
P3438
P3009
P3515
P5445
P6621
MolecularDynamicsMover3
P7173
P5586
P2450
P3008
P6251
P104
P3514
P2927
P8218
P168
P6187
Atom HD11 of residue 15
P8360
P7357
P2821
P5538
P3883
P4892
P7573
P8186
P3673
P8370
P10285
P7006
Atom H of residue 69
P7081
P4464
P1675
P7885
P4862
Atom HE2 of residue 4
P2318
P3159
P6086
Atom HD22 of residue 15
P6058
P2265
P7792
P1412
P2532
P7106
P4254
Atom HB3 of residue 59
P179
P10996
Atom HG2 of residue 41
Atom H of residue 27
P1647
Atom HG of residue 71
P2228
P2970
P8484
P5091
Atom HD3 of residue 48
P7014
P4634
P1662
P4721
P8349
Atom HD22 of residue 56
P2400
P8195
P2341
P4566
P13028
P1249
P2306
P6457
P7718
P3985
P7268
P6124
P12329
P6060
P7475
P7293
P1893
P8267
Atom HA of residue 54
P2419
P2971
P3477
P3291
P4684
P11709
P3222
P7979
P1838
P1605
P6553
P3089
P6049
P5446
Atom HB of residue 26
P8463
P2206
P7080
P6864
P383
P6830
P1899
P6159
Atom HD12 of residue 15
P8045
P7203
P6124
P6622
Atom HD13 of residue 13
P7794
Atom CB of residue 9
P2241
P0
P7334
P2281
P8929
P8057
P2943
P4722
P3449
P8224
P2277
P5904
P1802
P7728
P0
P1807
P1540
P2728
P5446
P13589
P2358
P1876
P8372
P5633
P3398
P2949
P3455
P1
P2451
P5566
P5157
P5539
Atom HD11 of residue 3
P112
P3605
P2933
P3439
Atom HD11 of residue 71
P3010
P3516
P1943
P6458
P7174
P1676
Atom HG21 of residue 5
P4863
Atom HG12 of residue 26
P5587
P2533
Atom HD11 of residue 3
Atom HD11 of residue 36
P3009
P3515
Atom HD12 of residue 13
Atom HB of residue 13
P72
P8220
P1436
P2418
P1606
P7358
P1859
P2822
P3884
P2319
P5092
P4893
P2385
P2266
P7015
P8187
P3674
Atom HD1 of residue 59
P7915
P9640
P56
P4465
P7886
P3160
P6188
P6059
P7793
P1648
P1250
P4255
P0
P2971
P7719
Atom HA of residue 27
P7476
P6252
P8268
JeffreysRestraint_P0
P7980
P6087
Covariance1DFunction 73
P1413
P4635
P4722
P4040
P8196
P4567
P2207
P7081
Atom NH1 of residue 114
P7574
P2307
P8364
P10286
P7007
P3986
P7082
P7269
P6125
P1437
Atom HG22 of residue 5
P7294
P1757
P2972
P3478
P3292
P10997
P4685
P3223
P6061
P1900
P3090
P2229
P11710
Atom HA of residue 61
P3
P8046
P2928
P6623
P2451
Atom HD13 of residue 15
Atom HE21 of residue 40
P8930
P2401
P6125
P2944
P4723
P3450
P7175
P5447
Atom CA of residue 11
P8225
P7107
P6160
P1663
P1542
P8350
P8058
P2729
P1944
P3
P8485
Atom O of residue 30
P3606
Atom HG3 of residue 27
P8209
P7335
P6554
P1860
P5634
Atom CA of residue 33
P2950
P2342
P3456
P1839
P5567
P6050
P5447
ListSingletonContainer373
Atom HG13 of residue 26
Atom N of residue 115
P6831
P2934
P3440
P1808
P7359
P3011
P7204
P3517
ListSingletonContainer111
P3399
P6459
P4041
P7795
P7887
P4864
P6189
P5905
P5588
P6060
P7794
P3010
Atom HD12 of residue 71
P2238
P3516
P1607
P5540
P1562
Atom HG21 of residue 5
P8459
P6865
P12330
Atom N of residue 41
P8269
Atom CA of residue 5
P2823
P2403
P3885
P1677
P6126
P5093
Atom HB3 of residue 48
P6088
P4894
P7016
Atom HD12 of residue 36
P1758
P7729
P3675
P2929
P7916
P9641
P5159
P13590
P4466
Atom CB of residue 30
Atom HG21 of residue 30
P3161
P7575
P2452
P1877
P4256
P2282
P10287
P7008
P4099
P7720
P7083
P7270
P1414
P1803
P7477
P1
P6253
P2362
P1894
Atom HB2 of residue 54
P8367
P10998
P2534
P1901
ListSingletonContainer389
P4636
P4723
P2972
P4568
P7176
P7082
Atom HD23 of residue 15
P7108
P8188
P3987
P7981
P1438
P2278
P2386
P2267
P7295
P8210
P8931
P8373
P2973
P3479
P3293
P4686
P8219
P3224
P5448
Atom O of residue 7
P2320
P2208
Atom CZ of residue 42
P6161
Atom HD13 of residue 13
P3091
Atom HD2 of residue 59
P8351
P182
P8486
Atom HG23 of residue 30
P6866
P2
Atom HD13 of residue 13
P2308
P7336
P2454
P1809
P6555
P2230
P5635
P2343
P3607
P1840
P7730
P5568
P1664
P5448
P2945
P4724
P4042
P3451
P8226
P384
P12331
Atom HB2 of residue 27
P2
P2730
P159
Atom C of residue 33
P5906
Multivariate Normal distribution 32
P1543
P5541
P2951
P3457
P6062
P1251
P8047
P8059
P6051
P11711
P4663
P6832
P2935
P3441
Atom HB3 of residue 54
P1321
P3012
P7205
P3518
P7917
P9642
P13591
P3
P1563
P7796
P4865
P5589
CYS
P2452
P3011
P3517
P1878
P2283
P8374
P2402
P6126
P4100
P6624
P113
P5262
Atom HD21 of residue 15
P1895
P2420
P7360
P2824
P3886
P7888
P2279
P4895
P6061
P7795
Atom HD13 of residue 71
P2239
P6254
P3676
P4467
P1387
P3162
P6089
Atom N of residue 16
P1805
P7576
P8189
P4257
P10288
P7009
P6460
P7084
P1678
Atom CG1 of residue 30
P7982
P8270
P1861
P62
P10999
P1645
P4637
Atom C of residue 21
P4724
P7271
P4569
P7177
P8487
Atom HD11 of residue 30
P5094
P2268
P2454
P7017
P1253
P7109
P2363
P2930
P1941
P4043
P3988
Atom CG2 of residue 26
Atom CG2 of residue 5
P6190
P7296
P8211
Atom HD22 of residue 15
P2974
P5158
P3480
P3294
P7721
P4687
P3225
P8227
P442
P7478
Atom HD13 of residue 36
P2453
P1608
Atom N of residue 22
P3092
P3
P8221
P5449
P2321
P4664
P6867
P1810
P6556
P2344
Atom N of residue 4
P2209
P7083
P3608
P2535
P1902
P7337
P8048
P8060
P6052
P160
P2946
P4725
P3452
P1442
P6833
Atom HG23 of residue 17
P7206
P2731
P2973
P5449
P7797
P4866
P2387
P5907
P12332
P1841
P1415
P5569
P8932
P6625
P2952
P3458
P6127
P6063
Restraint 89
P8352
P5636
P5542
P11712
P7889
P6062
P7796
P2936
P3442
P2309
Atom HD21 of residue 71
Atom HE1 of residue 59
P3013
P3519
P5590
P5263
P3012
P6162
P1896
P3518
Atom HG2 of residue 54
Atom HA of residue 49
P2231
P8375
P6461
P4101
P170
Atom HD12 of residue 30
P8271
P2284
P7361
P7918
P2825
P9643
P4044
Atom CG of residue 25
P3887
ListSingletonContainer493
P1388
P4896
Atom HB3 of residue 27
Atom N of residue 18
P7731
Atom O of residue 22
P3677
Atom CB of residue 21
P1665
P6127
P7272
P7178
P4468
P1679
P5095
P3163
P7018
P1759
P8190
P4258
P34
P2280
P6191
Atom H of residue 31
P6255
P8244
P181
P7722
P13592
P7983
P2453
P7479
ListSingletonContainer442
P4638
P4725
Atom CE2 of residue 45
P8222
P4570
Atom CA of residue 115
P2134
Atom HB3 of residue 40
Atom HB3 of residue 49
P8353
P2931
P5160
P1942
P3989
P1564
P7084
P7577
P7297
P1544
P1609
P2975
P3481
P10289
P7010
P3295
P4688
P7085
P3226
Atom CG2 of residue 30
Atom OG1 of residue 9
P445
P6090
P6064
P3093
P1862
P3400
P11000
P2054
P8488
P4665
P2210
GLU
P1903
P2310
P5570
P1879
P8933
P35
P3609
Atom HA of residue 31
P7111
P8049
P2421
P2947
P4726
P3453
P11713
P1443
P1416
P13164
P8213
P1811
P2732
P2345
P5096
P2388
P2359
P6163
P6053
P6626
P13593
P2953
P3459
Atom C of residue 12
P6128
P6868
P2269
Atom HG22 of residue 36
P1760
P1321
P6557
P0
P7207
P7919
P9644
P7798
P5450
P2322
P1842
P2937
P1806
P7732
P3443
P3014
P3520
P6128
P7890
P5591
Atom CA of residue 16
P6063
P7797
P2536
P8332
P3013
P7338
P3519
P36
P2404
P5637
P173
P5908
P12333
P8245
P1666
P2285
P2232
P2826
P2974
P5450
P3401
P3888
P4897
Atom HZ3 of residue 11
P6834
P1
P3678
P8061
Atom CD1 of residue 25
P4469
Atom CB of residue 7
P8228
P3164
GLU
P7019
P1897
P4259
P5161
P5543
P2609
P1565
P7273
P385
P7578
P10290
P7011
P7723
P7086
P7179
Atom CD1 of residue 30
P4867
Restraint 381
P6192
Atom C of residue 115
Atom HG2 of residue 27
P7480
P4639
Atom HG2 of residue 49
P2422
P4726
P7362
P2932
P11001
P2055
P4
P8223
P4571
P8489
P2281
P13165
P1255
P1545
Atom HB2 of residue 59
P8354
P8371
P3990
P1389
P7085
Atom HB2 of residue 31
P5264
P7298
P8191
P2976
P3482
P3296
P6462
P4689
P3227
P5097
P6091
P8333
Atom HD23 of residue 15
P8272
P2455
P3094
P57
P4666
P114
P7
P6054
P129
P7984
P6869
P2270
P3610
P0
P1812
P5571
P1880
Atom N of residue 21
P6558
P7208
P8934
P5638
P2948
P4727
P3454
P2346
P1680
P7799
P8229
P2323
P2389
P6256
Atom HD3 of residue 54
P4
P2733
ListSingletonContainer113
P6835
P7733
P2360
ListSingletonContainer390
P13594
P11714
P2954
P3460
P5909
P12334
P1843
P1807
P6164
P4045
P3889
P5451
Atom C of residue 16
P2938
P3444
P1904
P8050
P1612
P3015
P8062
P3521
P7920
P9645
P6129
P4868
P5592
P5265
P7110
P3014
P7339
P3520
P2975
P2610
P6463
Atom O of residue 45
P1455
P8212
P8273
P8246
P2827
P5451
P6627
P7180
P2211
P4898
Atom HG11 of residue 17
P1898
P3679
P1863
P4470
P3165
Atom HD2 of residue 27
P1417
P2537
P1256
P4260
P5162
P5544
P6065
P7579
P8192
Atom HB2 of residue 21
P2233
P10291
P7012
P7087
P7891
P6129
P2282
P6092
Atom O of residue 16
P6064
P7798
P2455
Atom CG1 of residue 13
Atom N of residue 16
P4640
P4727
P7363
P11002
P8224
P1566
P4572
Atom HB3 of residue 62
P1390
P13166
P2
P3991
P443
Atom CE of residue 27
Atom HE21 of residue 2
P6193
P7020
P7299
P2311
P1881
P2286
P2977
P3483
P3297
Atom NH2 of residue 5
P4690
P3228
P6836
P8334
P6257
Atom HE of residue 54
P3095
P7274
Atom CB of residue 45
P4869
P4667
P7481
P1905
P0
P4803
P2405
P11715
P1681
P7985
P2271
P3611
P1761
P1667
P2423
P6559
P6055
P3402
P2949
P4728
P3455
P5452
P8230
P6130
P7086
P8051
P1546
P7209
P2734
P6130
P7800
P7340
P8355
P1864
Atom CA of residue 44
P2955
P8490
Model 305
P3461
P2324
P5910
P2538
Atom HB3 of residue 31
P105
Atom OE1 of residue 49
P2933
P5452
P4046
P7725
P6628
P3890
Atom HG2 of residue 62
Atom O of residue 54
Atom HG12 of residue 17
P2939
P7112
P3445
P3016
P3522
P130
P2056
P171
P5593
Atom NH2 of residue 114
P1418
P5266
P1257
P3015
P1456
P8214
P6165
P3521
P5572
P8935
P8063
P5545
P2675
P6464
P2212
Atom HE2 of residue 27
GLN
P7734
P8274
P8247
P2828
P4899
P6870
P12335
P2312
P2456
P3680
P2976
P5639
P58
P8225
P7181
P4471
P3166
Atom CB of residue 16
P4261
P7364
P2234
P5163
SingletonScore 21
P13595
P2347
P6131
P6194
P6066
P7021
Atom CG2 of residue 13
P8193
Atom HZ1 of residue 63
P7921
P9646
P2406
P7892
Atom CG of residue 54
P2390
Atom CZ of residue 4
P7799
P1762
P4641
P1668
P4728
P1568
P4573
P386
P1844
P7482
Atom CD1 of residue 45
P108
P4804
P3992
P7986
P6093
P6065
P1804
P7300
P0
P1899
P1865
P2978
P3484
P3403
P3298
P4691
Atom C of residue 44
P3229
Atom HA of residue 27
P7087
P7580
Model 169
P2049
P1830
P3096
P59
P10292
P7013
P7088
P7275
P4668
P1882
P1
Atom N of residue 58
P8356
P11003
P2057
P8491
Atom CG of residue 45
P6871
P3612
P13161
Atom HG2 of residue 31
P1547
Atom HZ3 of residue 63
P2950
P4729
P3456
P11716
P2283
P115
P7113
P3083
P8052
P2735
P2272
P2313
P8215
P6258
P6166
P2457
P2287
P2934
Model 64
P2676
P6131
P2956
P3462
Atom O of residue 72
P5453
Atom OG1 of residue 7
P1391
Atom CG of residue 16
Atom HB2 of residue 37
Atom CA of residue 49
P8248
P6629
P3891
P13596
P12336
P2456
P8335
P2940
P3446
P6560
P3017
P3523
P7726
P1682
Atom HG3 of residue 62
P8231
P2325
P5594
P3016
P3522
P5573
Atom HG3 of residue 54
P2424
P8936
P6056
P5453
P5640
P5164
P7735
P7341
P7210
P2829
P7801
P7893
Atom CD of residue 54
P4900
P5911
P7800
Atom OH of residue 53
P1419
P3681
P1883
P8064
P5546
P2348
P4472
P3167
Atom C of residue 23
P4262
P2235
P4805
ListSingletonContainer112
P2677
P4047
P4873
P6094
P6066
P2539
P6837
P7022
P5267
ASP
P7922
P2407
P6465
Atom O of residue 44
P1845
P7581
P1457
P4642
P4729
P1610
P7365
P10293
P7014
P7089
P7276
P4574
P2213
P2391
P7483
P2314
P6259
P1900
P9647
P11004
P3993
P7301
P8275
P1669
P2979
P3485
P3299
P4692
P1569
P3230
P7182
Atom CG2 of residue 7
P7088
P1261
P3097
P2977
P8492
P7987
P4669
P2457
P1763
P1906
P1831
P4
Atom N of residue 64
Atom HB2 of residue 45
P5454
P1392
P6872
P3613
Atom HD3 of residue 27
P13162
Atom C of residue 9
P2951
P4730
P3457
P8226
P4663
P6195
P2273
P6067
P8336
P7114
P6561
P2288
P2736
P2058
Atom CB of residue 72
P2214
P2284
P8216
P5574
P2425
P8937
P5454
P2957
P3463
Atom CD of residue 16
Atom HG23 of residue 5
P7736
ListSingletonContainer473
P3892
P1683
P2326
P5415
P5912
Atom N of residue 54
P2941
P3447
P3018
P8357
P8065
P3524
P5547
P3404
P444
P5595
Atom CB of residue 23
P12337
P3017
P3523
P8053
P1
P4806
P6057
P11717
P4874
P6132
P2392
P6838
P5268
Atom HD2 of residue 54
P3082
P7211
P7923
P2830
P6466
P7802
P4901
P6068
P1907
P2458
P3682
P5641
P6132
P6630
P4473
P3168
P13099
P1262
Covariance1DFunction 46
P7342
P4263
P9648
P2678
P7727
P7894
P6067
P7801
P1420
Model 350
P6167
P8276
P1548
P162
Restraint 110
Atom HB3 of residue 45
P5416
P6095
P7582
P4643
Atom CA of residue 58
P4730
P7366
P10294
ListSingletonContainer298
P7015
P13597
P7090
P8227
P4575
P4664
P7988
Atom HE21 of residue 62
P2215
P1458
P8249
P2935
P4807
P11005
P3994
Atom CG of residue 27
GLN
GaussianProcessInterpolationRestraint 47
P7302
ListSingletonContainer469
P1670
P1611
Atom CE of residue 27
P2236
P8358
P1866
P2980
P3486
P3300
P4693
P3231
P7277
P7183
P8493
P172
P6196
Atom C of residue 49
P7023
P6260
P3098
P5165
P4048
Atom CG2 of residue 9
P4670
P2540
P2408
P2349
P1393
Restraint 591
P3614
P1
P1846
Atom CA of residue 58
P6069
P7484
P2952
P4731
P3458
ILE
P1579
P5455
P5417
P7115
Atom HA of residue 13
P1764
P6562
P2737
P3405
P0
P7089
P8217
P8054
P8266
P4808
P6058
P161
P5642
P2958
P3464
P6133
P6839
P13100
P1901
P1884
P2289
P7212
P1323
P2978
P5455
P2059
P3893
P13598
P7803
ARG
P5913
P6873
P2458
P1422
P2942
P1258
P3448
P5575
P1549
P3019
P3525
P134
P6631
P5596
Atom N of residue 59
P3018
P103
P7343
P3524
P5548
P11718
P7895
P6068
P7802
P1848
P8337
P2336
P1834
P6168
P2426
P2936
P2831
Atom HH12 of residue 42
P4902
P12338
P3683
Atom HD11 of residue 8
P6133
P7184
P4474
Atom CG of residue 72
Atom HE22 of residue 62
P3169
Atom H of residue 8
P2541
P7737
P3084
P4264
P8938
P7924
P9649
P5166
P7728
P5418
P2285
P116
Atom CA of residue 41
P2274
Atom NZ of residue 27
P2237
P7278
P7024
P4644
P8267
P4731
P1867
P164
P4049
P8228
P4576
P4665
Atom HD1 of residue 45
Atom HE3 of residue 27
P8066
P3995
P2350
P7989
P2327
Atom O of residue 49
P7485
P7303
P2459
P8359
P2981
P3487
P3301
P4694
ListSingletonContainer494
P3232
P1684
P5269
P7116
ALA
P6261
P1671
P3099
P6467
P11006
P4671
P7090
P6197
Atom C of residue 58
P8338
P7583
P8218
P8277
P7367
P10295
P7016
P7091
P1580
P6096
P3615
P13101
P2
Atom HB of residue 13
P1765
P2953
P4732
P3459
P4941
P6134
P2240
P6874
Atom CE2 of residue 53
P1259
P5576
Atom C of residue 58
P2738
P8494
Atom C of residue 11
P1394
P8055
P2060
P11719
P2959
P3465
Atom CD of residue 72
Atom HA of residue 8
P7738
P2315
P1459
P1442
P8939
P3406
P3894
P13599
Atom HH21 of residue 42
P2286
ILE
P12339
Atom N of residue 28
P2943
Atom HG of residue 67
P3449
Atom HD12 of residue 8
P8250
P3020
P6059
P3526
P2979
P2409
P6134
P6632
P5419
P5597
P3019
P1835
P1903
P7344
P3525
P3085
P6563
P7213
P7925
P9650
P7729
P7804
P5456
P2216
P2393
P5270
P2832
P6468
P7896
P4903
P6069
P7803
P6169
P8278
P3684
P4809
P4475
P1685
P3170
P5914
P2275
P1849
P6840
P1885
P4265
P1550
P2937
P8067
P5456
P5167
P2459
P2460
P2290
P84
P5643
P7025
Atom CA of residue 110
Atom HD12 of residue 61
P4645
P4732
P5549
P11007
P7279
P4577
P4666
P2328
Atom O of residue 58
P7584
P10296
P7017
P3996
P7092
P1423
P2542
P6070
P7486
P7304
P2427
P2982
P3488
P3302
P4695
P3233
P6135
Atom O of residue 58
P3100
P4672
P7091
P8339
Atom HD11 of residue 67
Model 226
P7368
P8940
P2410
P2614
P4050
P8230
P2241
P6097
P3616
Atom CZ of residue 53
P1460
P1868
P5644
P2954
P4733
P3460
P59
P4942
Atom HH22 of residue 42
P1395
P6198
P1260
P2316
P6060
P2739
Atom HA of residue 45
P7990
P6262
P7345
P5577
P1443
P6564
P2238
P7214
P2960
P3466
P7805
Atom N of residue 63
P2394
P6841
P8360
P3895
P7185
P8495
Atom NE of residue 72
Atom HB2 of residue 8
P2944
P3450
P1672
Atom CG of residue 27
P3021
P3527
P11720
P5420
P5915
P5598
Atom HZ1 of residue 27
P1766
P3020
P3526
P5457
P2287
Atom CB of residue 41
P2460
P13102
P5271
P7117
Atom CB of residue 26
Model 207
P8056
P8251
P7926
P2833
P9651
P2980
P6135
P6469
P1686
P4904
Atom CB of residue 49
Atom HG22 of residue 5
P8219
P8279
P3685
ListSingletonContainer250
P2351
P4476
Atom HG23 of residue 9
P2217
P3171
P6875
P106
P4266
P1869
P4810
P5457
P6633
P6071
P6170
Atom N of residue 62
P8068
P2
P7730
P13600
P4646
P1551
P4733
P2938
P5550
P2061
P4578
P4667
Atom H of residue 7
P117
P12340
P1424
P7585
P1904
P10297
P3407
P7018
P3997
P7093
P7897
P6098
P6070
P7804
P7305
P1832
P7369
P2983
P5169
P3489
P3303
P11008
P4696
P0
P3234
P1326
P6199
Atom CB of residue 58
P2543
P7739
P2461
P1886
P3086
P2428
P3101
P4673
Atom CG of residue 54
P7026
P1263
Atom HB2 of residue 8
P2291
ListSingletonContainer114
P2615
P1581
P2276
P3617
Atom HD12 of residue 67
P3
P2317
P8220
P8361
P2955
P4734
P3461
P7280
P2329
P6876
P1850
P7487
P7118
P2239
P2740
P11721
P7991
P2395
Atom CG of residue 49
P1767
P1461
P6263
Atom OD1 of residue 58
P6565
P6061
P9
P2961
P2352
P3467
P5458
Atom CG of residue 41
P7092
P13103
P7346
P8057
P8252
P1673
Atom CD of residue 27
P7215
P6136
P3896
P7186
P8496
P7806
P2945
P3451
P3022
P3528
P5645
P8229
Atom HH11 of residue 42
P446
Atom N of residue 10
P5916
P5599
P8340
Atom H of residue 26
P3021
P3527
P4811
P5458
P4051
P6634
Atom CZ of residue 72
P6171
P2834
P2411
P13601
P4905
Atom CD of residue 54
ASP
P6072
Atom C of residue 110
P5578
P3686
P1576
P5551
P4477
P3172
P2288
P2132
P12341
P4267
P2429
P2981
ListSingletonContainer342
P1396
P2242
P1552
P2939
P2062
P1582
P6136
Atom HB3 of residue 8
P2461
P5272
P1905
P4647
P1887
P3087
P4734
P8941
P3408
P6470
P4579
P4668
Atom HZ2 of residue 27
P7027
P1264
P8069
P7927
P9652
P7731
P3998
P1687
Atom H of residue 9
P7898
P2396
P6071
P2277
P7805
P7306
P2984
P3490
P3304
P4697
P60
P3235
P4938
P174
LYS
Atom CB of residue 1
P6842
P7488
P8280
P2292
P3102
P7094
Atom NH2 of residue 72
P7992
P5421
P4674
P6099
Atom OD1 of residue 58
P7747
P1833
Atom OD2 of residue 58
P7370
P2330
P7093
P3618
P1851
P7586
P6264
P8253
P5646
P10298
P2956
P7019
P4735
P3462
P7281
P6137
P6877
P2544
Atom CD of residue 49
P7119
P2741
P11009
P8497
P8341
Atom HD13 of residue 67
Atom CB of residue 110
P1462
P8221
Atom HG of residue 71
P5168
P4052
P11722
P2962
P3468
P2133
P8058
P2616
P3897
P8231
P2243
P6073
P2946
Atom O of residue 17
P3452
P2462
P3023
P3529
P8495
P6137
P2353
P449
P6200
P5600
P7740
P3022
P101
P3528
P1888
P8362
P6635
P1877
Atom O of residue 52
Atom HG22 of residue 61
P1577
Atom HE3 of residue 1
P6566
P2240
P1870
P2835
P5422
P2289
P4906
Atom HG of residue 8
P5273
P5579
P3687
P8942
P6062
P6471
P4478
P1397
P3173
Atom NE of residue 54
P1273
P7347
Atom HD12 of residue 71
P4268
P7216
P8070
P7732
P7807
P5459
P7899
Atom C of residue 41
P5918
P6072
P7806
P12342
P6843
P1768
Atom N of residue 11
P7928
P5552
P3409
ListSingletonContainer224
P13104
P8281
P4648
P3088
P4735
P2982
P7095
P4580
P7187
P1688
P4669
P1340
P4
Atom CA of residue 15
P6100
P7028
P9653
P5459
P3999
P13602
P7587
P7307
P1674
P1553
P4812
P2985
P2412
P3491
P10299
P7020
P3305
P2
P4698
P3236
P7282
P175
P6138
P7094
P1421
P7489
P2318
P6172
P3103
P11010
P1878
P4675
Atom HZ3 of residue 27
P7371
P5423
P3619
P2545
P7741
Atom O of residue 61
P2293
P2957
P4736
P3463
UnaryFunction9
P7993
P2462
Atom H of residue 73
Atom CB of residue 3
P2742
P5170
P8496
P2063
P7188
P6201
P6265
P8366
P2940
P2963
P3469
Atom CA of residue 63
P2134
P13105
Atom HD21 of residue 67
Atom N of residue 111
P1463
P8254
P6567
P2617
P3898
P8498
P5460
P4875
P118
P2947
P3453
P5580
P3024
P8943
Restraint 91
P3530
P185
P13603
P2354
P1583
P1341
P6878
P5601
P7121
P3023
P3529
P2463
P2241
P7929
P2397
P6844
P1277
P1769
Atom CA of residue 26
P8223
LYS
P2836
P5460
P0
P4907
P8342
Atom CB of residue 17
P3688
Atom HD13 of residue 71
P8059
P1675
P6063
P4053
P11723
P4479
P3174
P2244
Atom O of residue 41
Atom HD11 of residue 8
P2278
P1902
P7348
P4269
P2430
P7217
P1871
P9654
P7733
P7808
P2331
P5919
P1847
Atom OD2 of residue 58
P7742
P5647
P6138
P6636
P7189
Atom C of residue 15
P6173
P4649
P3089
P4736
P4581
P4670
P7900
P6073
P7807
P12343
P3410
P4000
P6101
ALA
P7588
P7308
P2319
P2986
P2413
P3492
P10300
P7021
P3306
P4699
P7096
P3237
P7994
Atom CG of residue 21
Atom CB of residue 58
P1554
P1578
P3104
P5171
P11011
P2064
P4876
P6139
P4676
P1285
Atom CZ of residue 54
P5274
P1889
P8367
P6472
Restraint 114
P1584
P7283
Atom H of residue 72
P5461
P2290
P3620
P8343
P7029
Atom HB2 of residue 73
P2464
P8255
P8071
P5553
P2958
P4737
P3464
P2135
Atom N of residue 52
P6074
P2941
P2743
P45
Atom C of residue 63
P7095
P6879
P2463
P7490
P6266
P6064
P5461
P2964
P3470
P6202
P2279
P13106
TRP
P6568
P7372
P4813
P2983
P37
P2618
P4055
P3899
P8499
P2332
P447
CHARMMStereochemistryRestraint0
P2948
P1265
P3454
P8060
P3025
P3531
P13604
P5602
Atom C of residue 26
P2320
P3024
ListSingletonContainer391
Atom HD23 of residue 73
P7349
P3530
P8283
P2431
P7218
P7734
P2355
P7809
P1400
P5920
Atom HG2 of residue 49
Atom H of residue 58
Atom OD2 of residue 21
P5581
P2294
P1872
P2837
P8497
P6637
P4908
P1294
GaussianProcessInterpolation57
P6845
P6075
P5275
P0
P1
P3689
P6473
P11724
P4480
P7901
P3175
P6074
P7808
P12344
P1770
P4270
P5554
P1464
Atom H of residue 35
P3090
P1676
P8944
P6139
P2245
P7120
P4650
P4737
P9655
P4582
P4671
Atom HB3 of residue 15
P2398
Atom NH1 of residue 54
P8222
P6174
P5648
Model 65
P4001
P7284
Atom HA of residue 72
P5424
P2464
P7030
P7309
P1580
P8072
P2987
P3493
P3307
P4054
P4700
Atom O of residue 73
P3238
Atom HD22 of residue 67
Atom HA of residue 71
P3105
P39
P5172
P7995
P4877
Atom CB of residue 62
P4677
P2291
Atom HD12 of residue 8
P7491
Atom CG of residue 58
P2242
P8499
P1879
P3621
P8344
Atom OG1 of residue 14
Atom CA of residue 111
P7373
P8495
P2984
P2959
P4738
P3465
Atom HB3 of residue 18
P204
Atom CD of residue 19
P7096
P7589
P1266
P2744
P2414
P10301
P7022
P7097
P1585
P6102
P1295
Atom N of residue 74
P7930
P11012
ListSingletonContainer495
P2965
P3471
P1572
Atom HG3 of residue 49
P5582
P1890
P1555
P2619
P3900
Atom CG of residue 73
P6140
P6076
P2949
P1336
P7743
P3455
P8061
P2432
P3026
P8945
P3532
P3525
P186
P11725
P1401
Atom CD of residue 62
P6203
P5603
P2280
P3025
P2
P3531
P8282
P8256
P4814
P2333
P119
P6267
P2838
P152
P5649
P6140
P7735
P6638
P7190
Atom HA of residue 19
P4909
Atom H of residue 21
P5276
P7350
P3690
Atom N of residue 22
P6569
P7219
P9656
P6474
P4481
P8500
P7810
P1880
P3176
P1465
Atom HA3 of residue 35
P4271
P2942
P7902
P5425
P2246
P6880
P6075
P7809
P13107
P7122
Model 11
P1556
P7376
P2065
Atom HG2 of residue 16
P2
P1771
P3180
P8224
P4651
P4738
ListSingletonContainer226
P13605
P4583
P4672
P5462
P5921
Atom HD13 of residue 8
P1677
P2295
P2243
P4002
P2356
Atom HG of residue 15
P6846
P7031
P7310
P1873
P2988
P3494
P3308
P4701
P1587
P3239
P7285
P7590
P1267
P2321
P6175
P8298
P3106
P8073
P6065
P5462
P5173
P10302
P7023
Atom CD1 of residue 73
P7098
P4678
Model 432
P7492
P2433
ListSingletonContainer18
P7931
P8500
P11013
P3622
P12345
P1573
Atom HB2 of residue 34
P2465
P1895
Atom CA of residue 57
P8257
P5555
P2960
P4739
P3466
Atom N of residue 25
P2399
P7097
P1
P2745
P2985
Atom OE1 of residue 62
P6103
P6204
P6881
Atom CA of residue 28
P7744
P3091
P8249
P4815
P2066
P2966
P3472
P4879
P3
P0
P2620
P3901
P7191
P7996
P6141
Atom HB2 of residue 19
P2950
Atom HD23 of residue 67
P3456
P5583
THR
P6570
P3027
P7220
P3533
P7811
P1288
P5604
P6077
P3026
P3532
P3411
P61
P1588
P2292
P13108
P8345
P7123
P6268
Atom HB3 of residue 34
P1581
Atom HB3 of residue 62
P2839
P11726
Atom HG3 of residue 16
P4910
P2281
Atom CG of residue 58
Atom CB of residue 15
P8225
ARG
P3691
P2943
P2415
P13606
P4482
P8501
P5463
P1398
P2334
P3177
P5922
Atom C of residue 28
P8062
P4272
P8494
P9657
P6141
P2050
P1772
P1891
P1
P5427
Atom HA of residue 54
P3181
P6176
P4652
Atom C of residue 57
P1678
P8266
P4739
P2296
P5463
P5174
P6639
P2357
P4584
Atom CD of residue 72
P4673
Atom HE21 of residue 49
P5277
P7745
P7374
P7932
P6475
P7736
P4003
P448
Atom HD21 of residue 8
P12346
P2465
P6847
P7311
Atom O of residue 110
P4663
P2466
P2989
P5556
P3495
P3309
P4056
P4702
P3240
P1289
P2400
P2136
Atom O of residue 21
P7591
P0
P3107
P2244
P6066
P5650
P10303
P3412
P7024
P7099
P7903
P4679
P2247
P6104
P6076
P7810
Atom O of residue 28
P8946
P4816
P11014
Atom NH1 of residue 72
P3623
P1466
P8258
P8074
P2961
P4740
P3467
P6142
P4806
Atom HG21 of residue 26
P7032
P1268
P3092
P2746
P2986
P7192
LEU
P6882
P1874
P134
P2967
P7286
P3473
P2337
P2293
P8346
P7493
Atom N of residue 36
P1582
Atom HG2 of residue 62
P2
P2621
P3902
P11727
P1
P7997
Atom HE22 of residue 49
P2951
Atom HB2 of residue 38
P3457
P6269
Atom CA of residue 74
P6571
P3028
P3534
P2416
P2067
P5464
P205
P7098
P5605
P1568
P3027
Atom HG2 of residue 34
P3
P110
P7351
P3533
P8063
P2
P7221
P8501
P6142
P8502
Atom NE of residue 72
P7812
P2282
GeneralizedGuinierPorodFunction 36
P7124
Atom CG of residue 15
P7375
P8496
P2840
P4911
Atom HB2 of residue 54
Atom HG23 of residue 26
P8226
P4664
P3692
Atom O of residue 57
P5464
P6640
P1589
P4483
P4878
P1399
P3178
P2137
P5278
P4273
P6476
P1309
P6205
P5923
Atom CB of residue 28
P2466
P6848
P5584
P2434
Atom HA of residue 12
P6078
P3182
P2322
P4653
P1892
P4740
P8947
P5557
Atom C of residue 73
P4585
P4674
P1881
P13109
P2467
ILE
P1557
P5651
P7737
P4004
Atom HB3 of residue 38
P7312
P1467
P8075
ListSingletonContainer20
P2990
P3496
P3310
P4703
P13607
P3241
P2248
P1290
P12347
P7033
P1269
P3108
P9658
P7193
P7904
Atom CA of residue 62
P4680
P120
P6077
P7811
Atom CD1 of residue 15
P2297
Atom CG of residue 1
P3624
P1569
P7494
P2245
P2962
P4741
P3468
P7998
P6105
P2944
P7933
P2747
ListSingletonContainer108
P5426
P7099
P6
P7592
P1773
P6177
P4817
P10304
P8502
P7025
P62
P2968
P7100
P7287
P3474
P6143
P2401
Atom HD22 of residue 8
Restraint 101
P1679
P8498
P5175
P2622
P11015
P3903
P1882
Atom O of residue 12
Atom CA of residue 105
P13110
P2952
P3458
P2323
P8260
P3029
P3535
P11728
P2358
Atom HG23 of residue 17
P2294
P5606
Atom N of residue 50
P3028
P3534
P8064
P1583
P6067
P13608
P6206
P6883
P7125
P6270
P7352
P2468
P1893
P2841
P6143
P4057
P2068
Atom CZ of residue 72
P4880
P4912
P7746
Atom O of residue 23
P8227
P4665
P3693
P8948
P1875
P2987
P3413
P6641
P4484
P8503
P3179
P2467
Atom N of residue 27
P8347
P3093
P4274
P6572
P7738
Atom CE2 of residue 4
P2403
Atom C of residue 13
P5585
P2417
P5465
Atom H of residue 28
Atom CA of residue 13
P6079
P3183
P4654
P8251
P1558
P4741
P7222
P4586
P7813
P4675
P7905
Atom HZ2 of residue 11
P6078
P7812
P6849
Atom HG3 of residue 34
P2945
P6068
P135
P4005
P2283
P5
P7313
P7353
Atom CA of residue 36
P2991
P5465
P3497
P3311
P4704
P1586
P3242
P7288
Atom N of residue 18
P2338
P6106
P7034
Atom HG2 of residue 38
Atom CB of residue 57
P3109
P7934
P9659
P5652
P5176
P4681
P5924
P7593
P1468
P2435
P2246
P4818
P5558
P10305
P7026
P2359
P7101
P6144
Atom NH2 of residue 54
P3625
P12348
Atom CB of residue 31
P5279
P7495
P1
P2
P2963
P4742
P6477
P11016
P3469
P8348
Atom N of residue 10
P1774
Atom C of residue 74
P2298
P2748
P4058
P1291
P7100
P1680
Atom HE22 of residue 62
P2969
P3475
P1883
P7999
P5428
Atom C of residue 105
P1686
P2249
P6884
P2468
P7126
P8499
P2623
P3904
P4881
Atom CB of residue 63
P0
P13111
P2953
P3459
P8228
Atom CB of residue 22
P7377
P3030
P8076
P6069
P3536
ListSingletonContainer263
P3414
P5466
P5607
P1322
P1270
P3029
P3535
P3094
P2437
P1579
P6573
P2419
P13609
P2138
P6271
P5586
P2842
P2295
P4913
P6207
P6080
P4666
P3694
P8252
P5466
P4485
P8504
Atom HB of residue 7
Atom CB of residue 62
P2402
P6850
P5280
P2324
P1470
Atom N of residue 35
P6178
Atom OG of residue 57
P4275
P8949
P5653
P6478
Atom NH1 of residue 72
Atom HD23 of residue 8
Atom O of residue 74
P8065
P8259
P1876
P8498
P11729
P2339
P8480
Atom CG of residue 31
P3184
ListSingletonContainer392
P4655
P4742
P7223
P7935
P9660
P7739
P4587
P7194
P7814
P4676
Atom HA of residue 28
P6144
P6642
P4006
Atom CG of residue 63
P12349
Atom HG11 of residue 26
P7314
P2992
P2988
P3498
P3312
P4705
P3243
P7906
P5429
P6079
P2284
P7813
Atom CD of residue 38
P1271
P1
P3110
P2946
P5177
P11017
Atom CB of residue 4
P4682
P6107
P1292
P5925
P7594
Atom CA of residue 126
P7354
Atom N of residue 63
P2418
P5559
P10306
P7027
P7102
P8000
P2250
P3626
P2469
P0
P2964
P4743
P3470
Atom CG of residue 62
P6145
GaussianProcessInterpolation47
P121
P2139
Atom H of residue 54
P8349
P6179
P8077
P2749
P60
P2360
P7195
P1687
Atom HB3 of residue 1
P7035
P2970
P3476
Atom HG3 of residue 2
Atom HA2 of residue 35
P2299
P8500
P2624
P3905
P4882
P2954
P7496
P3460
P2436
P7378
P3031
P3537
ListSingletonContainer567
P5608
LEU
P7748
P3030
P3536
P1894
P2
P1448
P6574
P5
Atom NH2 of residue 72
P2296
P7101
P2325
P8066
P4819
P2843
P4059
P4914
P8481
P1471
P4667
P3695
P3095
P2247
P7224
P187
P4486
P7815
P5281
Atom HG13 of residue 30
P5587
P8261
P4276
P6479
P6643
P6548
P7289
P6208
Atom CD of residue 31
P6851
P6081
Restraint 156
P1681
P1325
Atom OD1 of residue 52
P7907
P0
P6885
P6080
P7814
P13112
P3185
P6272
Atom CB of residue 74
P4656
Atom OG1 of residue 22
P4743
P2069
P4588
P4677
P1884
Atom CD of residue 63
P5926
Atom HB3 of residue 68
P7127
P7355
Atom HG23 of residue 9
P2989
P5560
P3415
P6145
P4007
P13610
P11730
P8505
Atom C of residue 13
P2340
P450
Atom HB1 of residue 28
P2469
Atom HA of residue 38
P7315
P8229
P6180
P2993
P9661
P156
P3499
P3313
P4706
ListSingletonContainer569
P3244
Atom H of residue 3
Atom O of residue 105
P1272
Atom C of residue 126
P3111
P8950
P2
P8373
P7196
P4683
P7036
P8253
Atom N of residue 26
P4820
P5467
Atom CD of residue 62
P2393
P3627
P8501
P2947
P1877
P7936
P5654
P2965
P4744
P3471
Atom HD11 of residue 13
P8001
P5430
P7497
P7749
P6070
P2750
P2362
P2251
Atom CA of residue 50
P7379
P8078
P5467
P5179
P11018
P2971
P3477
P7102
P6886
Atom N of residue 9
P7595
Atom H of residue 57
P158
P10307
P2625
P7028
P6549
P3906
P7103
P4883
Atom CB of residue 105
P6108
P12350
P2955
P3461
P2470
P1450
P3032
P3538
P188
Atom O of residue 13
P5609
P2285
P2057
P3031
P7356
P3537
P5588
P8262
Atom CA of residue 26
P6146
P1293
P6209
Atom CB of residue 59
P6082
P7128
P1541
P8067
P1682
P2248
P2844
P5655
Atom OD2 of residue 52
P4915
GaussianProcessInterpolationRestraint 25
P13113
P8350
P8230
P4668
P3696
Atom CG2 of residue 22
P8254
ListSingletonContainer496
P4487
Atom OE1 of residue 2
P2404
Atom HD1 of residue 68
P4277
P4837
P3416
P6146
P7740
P6644
P13611
P11731
P7290
P1688
P3096
Atom HG3 of residue 62
P6575
P7225
P7816
P1885
Atom HB3 of residue 60
P3186
P6273
ListSingletonContainer393
P4657
P1896
P4744
P8374
P4589
P4678
P5468
P7908
P6081
P7815
GLN
P2326
Atom HA of residue 57
P2300
P4060
P3
P2070
P4008
P8506
P2371
P453
P1296
P7
P5282
P7316
Atom C of residue 36
P2948
P1878
P7937
P2994
ListSingletonContainer251
P3500
P3314
P6480
P4707
P3245
Atom HD12 of residue 13
P5927
THR
Atom HB2 of residue 28
Atom OE1 of residue 31
P7596
P2111
P7750
P3112
P8951
P6071
P2990
P5468
P4684
P6852
P7037
P7498
Atom CB of residue 16
P2420
P34
P11019
P1309
P7197
P2286
P3628
JeffreysRestraint_P0
Atom C of residue 26
P2966
P7029
P4745
P3472
P6550
P7104
P4884
P1306
P2297
P12351
P2470
Atom HD22 of residue 60
P6181
P2471
Atom CB of residue 8
ListSingletonContainer19
P2751
P5656
P5561
P2252
Atom CE of residue 63
P2140
P8482
P10308
P2972
Atom HB2 of residue 72
P3478
Atom H of residue 36
THR
P7103
P6887
Atom CG of residue 59
Multivariate Normal distribution 47
Atom CB of residue 36
P9662
P2626
P3907
P5431
P6109
P8351
P2956
P3462
Atom HG3 of residue 63
Atom CG of residue 52
P2438
P7380
P3
P3033
P8079
P3539
Atom HZ3 of residue 6
Atom CG of residue 105
P5610
P2103
P3032
P3538
P8263
P4838
P2363
P8002
Atom OE1 of residue 62
P6147
P1689
P7129
P5589
P6576
P7226
P2845
P7817
UnaryFunction1
P4916
P6083
Atom C of residue 18
P8231
P4669
P3697
P8255
Model 232
P5178
P33
P4488
P5469
Atom HE1 of residue 1
Atom O of residue 126
P6274
Atom HG12 of residue 23
P3097
P4278
P1683
P4061
P1297
P122
P5283
P1451
P6481
P7741
P8507
Atom OG1 of residue 9
P5928
P8483
Atom NE2 of residue 31
P2064
P3187
Atom OD2 of residue 52
P7357
P4658
P8068
P4745
Atom HE21 of residue 62
P2301
P0
P8952
P5469
P3417
P6147
P63
P4590
P4679
P178
P2372
P2327
Atom CG of residue 16
P2249
P6072
P9663
P5562
P4009
GeneralizedGuinierPorodFunction 4
P2141
P13114
P7317
P1469
Atom HB2 of residue 57
P2995
P3501
P3315
P6645
P4708
P3246
P1307
P6210
P2471
P7597
P2342
P3113
P8497
P7938
P13612
P4685
Atom NZ of residue 63
Atom CA of residue 9
Atom C of residue 42
P6853
P7751
P4821
Atom HB3 of residue 72
P1886
Atom HA of residue 36
P2298
P3629
P111
P8375
P2967
P7030
P4746
P3473
P7742
P6551
P7105
P7291
P7909
P6110
P6082
P7816
P1279
Atom N of residue 127
Atom HD2 of residue 63
P8080
P2752
P11020
Atom H of residue 52
P5432
P2405
P2287
P12352
P2104
P1897
Atom CG1 of residue 36
Model 412
P10309
P2547
P2973
P3479
Atom NE2 of residue 62
P6148
P2253
GLN
P7038
P7499
P2627
P2071
P3908
Atom C of residue 14
Atom C of residue 15
P2957
P3463
Atom H of residue 22
P6577
P7381
P3034
P3540
P2991
ListSingletonContainer109
P7198
P5611
P13115
Atom HD2 of residue 68
P3033
P3539
P8264
Model 66
P8003
P1690
P6182
P2472
Atom CG of residue 11
P1879
P2846
P5180
P13613
P7292
P4917
P7104
P6888
P6854
P4670
P3698
P8069
P7227
P8370
P2949
P6148
Atom HA of residue 52
P4489
P7818
ScoreState 25
Atom O of residue 18
P4279
P1452
P2250
P6073
P2421
P8376
P5470
P4885
P1312
P8352
P2302
P8
P6646
P6211
P8484
P7131
P3188
P6275
P7358
P4659
P2343
P1
P4746
P5657
P4591
P4680
Atom SD of residue 105
GaussianProcessInterpolationRestraint 15
P451
P2336
P5929
P2065
Atom H of residue 52
P5590
P5470
P4010
P8508
Atom HG2 of residue 1
P2406
P6084
P7318
P1684
P8953
P2996
P3502
P3316
P4709
P3247
Atom CD1 of residue 59
P2439
P8256
P3114
P4822
P4062
P2072
P1887
P4686
Atom HG2 of residue 11
P1308
Model 149
Atom HD21 of residue 25
P4
P7293
P3630
Atom HB3 of residue 28
P7039
P8371
ListSingletonContainer346
P2968
P4747
P3474
P7910
P2373
P6083
P7817
P5284
P2328
Atom HA of residue 22
P3098
P2753
P6482
Atom HE1 of residue 68
P8353
P7500
Atom N of residue 61
CYS
P8265
P2974
P3480
P8004
P1308
P6111
P2472
P7939
P9664
P2422
P5181
P3418
P2628
P3909
P4886
P7105
P6889
P2288
P12353
P2958
P7598
P7752
P3464
P2105
P3035
P3541
P7031
P6552
P7106
P7199
P5433
P2299
P5612
Atom CG of residue 37
Atom O of residue 15
P13116
Atom HG21 of residue 30
P3034
P3540
P11021
P6183
P2847
P5563
P6149
P7743
P13614
Atom H of residue 63
P4918
P21
P7359
P4671
P3699
P1898
P8070
P2951
P0
P1880
Atom HB1 of residue 28
P64
P4490
Atom CE of residue 105
Atom CD2 of residue 59
P4280
P2440
P6578
P7382
P8081
P10310
P8377
P2361
Atom HB2 of residue 52
P2254
P1309
P5285
Atom HD3 of residue 63
Atom O of residue 52
P2303
P8954
P2992
P6483
P6647
P1691
P3189
P6276
P4660
P2344
P8257
P4747
P2251
P4823
P4592
P4681
P123
P6212
Atom HD11 of residue 30
P2473
P5591
P1685
P155
P4011
P8509
Atom H of residue 72
Atom HB of residue 36
LEU
P2407
JeffreysRestraint_P1
P6085
P7319
ILE
Atom OG1 of residue 14
P7228
P2997
P3503
P3317
P4710
P3248
P7819
P7911
P3
P6084
P7818
Restraint 27
Atom O of residue 8
P3115
Atom HB3 of residue 28
P5471
P4687
P2066
ILE
Atom HB2 of residue 62
P2374
P6112
P2142
P3631
P7040
P7130
P8372
P9665
P5658
P2969
P4748
P3475
P5930
P8485
P12354
P7599
UnaryFunction12
P2754
P5471
P7032
P7744
P6553
P7107
P7200
Atom CD of residue 37
P1718
P8354
Atom HB2 of residue 1
P7501
Atom HD12 of residue 30
Atom HG21 of residue 23
P1899
P3099
P5564
P3419
P11022
P2073
P2975
P3481
P2289
Atom HB of residue 23
Atom HB2 of residue 28
P7940
P5182
P2629
P4063
P3910
P1888
P4887
P179
Atom HA of residue 4
P2300
P7106
P2959
P7753
P3465
P2329
Atom HE2 of residue 63
P6184
P3036
P1881
P3542
ListSingletonContainer269
P8005
P5613
Atom N of residue 29
P3035
P3541
P8082
P6074
Atom HA of residue 63
P2106
Atom O of residue 127
P2848
Atom CB of residue 27
Atom HG12 of residue 36
P1692
P4919
P4672
P3700
P6579
P10311
P4491
P5434
P2255
P2473
P5592
P4281
P1449
P7383
P2993
P2423
Atom CA of residue 56
Atom CE1 of residue 59
P6086
P5286
Atom N of residue 29
P7360
P6484
P65
P1850
P2143
Atom HB2 of residue 46
P3190
Atom CB of residue 52
P4661
P4748
P2252
P8955
P7745
P4593
Atom HA of residue 72
P4682
P1305
P6890
P13117
Atom CZ of residue 4
P1278
P8071
P6075
P4012
P7294
Atom HB3 of residue 62
P7320
P2345
P7229
P2998
P3504
P3318
P4711
P13615
Atom N of residue 29
P3249
P7820
Multivariate Normal distribution 15
P6213
P8486
P2067
P114
Atom CB of residue 9
P2441
P3116
P2952
P9666
P6648
P5472
P4688
P1719
Atom N of residue 69
P7132
P6277
P1332
P5565
P8378
Atom HB3 of residue 52
P7912
P6085
P7819
P3632
P8258
P4824
P7941
P189
P2970
P4749
P4064
P3476
P8510
P6113
P5931
Atom HB3 of residue 46
P7600
P7754
P2330
P2474
P8300
P2755
P5472
P3420
P7033
P6554
P7108
P8006
P2408
LYS
P7041
1G6J_MODEL1.pdb
P5659
P11023
P2976
P3482
P1889
Atom HD2 of residue 6
Atom HA2 of residue 53
Atom CB of residue 127
Atom CA of residue 1
Atom HG22 of residue 9
P5183
P2630
P3911
P7201
Atom CG of residue 27
P452
P2960
P2110
P3466
P1686
P2304
P3037
P3543
P10312
P2074
P5614
LEU
P2107
P3036
P3542
P6891
P7502
P6185
P7361
P0
P7384
P8373
P8083
P1882
P2849
P77
P2375
P4920
P1298
von Mises sufficient 4
P4673
P3701
P3100
P6580
P4492
P4889
Atom HG13 of residue 36
P5435
P7107
P12355
P13118
P8355
P8072
P4282
P8259
P6076
P1851
P7295
Atom HD3 of residue 63
P7230
P13616
P7821
Atom OD2 of residue 101
P6214
P3191
LYS
P5593
P4662
P4749
P2994
P6649
P4594
P4683
P5473
P2301
P5932
P2290
Covariance1DFunction 88
P6087
P7133
P2475
P2346
P2253
P8379
P4013
Atom N of residue 53
P7913
Atom HH22 of residue 72
P6086
P7820
P7321
Atom HG22 of residue 3
P4825
P2999
P3505
P3319
P4712
P3250
Atom HA3 of residue 53
Atom OH of residue 59
Restraint 131
P2474
P5287
P1314
P1900
P3117
P2424
P5473
P6485
Covariance1DFunction 56
P4689
P7042
P0
P6278
Atom C of residue 18
P1883
P5660
P1693
P2256
P1299
P3633
Atom N of residue 47
P8956
P2953
P5184
P5566
P2971
P4750
P3477
P7202
P8511
Atom HB2 of residue 63
Atom CA of residue 29
P1280
P8301
P2305
P2756
Atom HD21 of residue 60
P7942
P9667
P2977
P3483
P8007
P8487
P7503
P7755
Atom HE3 of residue 63
P1687
P2442
P8374
P3421
P2631
P2075
P3912
P124
Atom C of residue 56
Atom CA of residue 69
P2961
P3467
P3038
P3544
Atom H of residue 62
P2144
P7108
P5615
P12356
P8356
P7601
P3037
P109
P3543
P0
P7034
P7746
P6555
P7109
P2376
P5436
P6114
P6892
ScoreState 47
Atom HE2 of residue 63
P6186
P3101
Atom C of residue 8
P2850
P11024
P7296
Atom N of residue 102
P4921
P2409
Atom N of residue 73
P1720
P2068
Atom NH1 of residue 42
P7362
P4674
P5594
P3702
P10313
Atom CB of residue 28
P4493
P2302
P2475
P6088
Atom HG23 of residue 9
P2
Atom HA of residue 28
Atom HG3 of residue 34
P8073
P4283
P8260
P7385
P8084
Atom HB3 of residue 63
P2476
Atom O of residue 18
P8375
P6077
Atom H of residue 59
P2291
P5288
P3192
P4663
P4750
P2425
P6486
P6650
P4684
P8488
P7134
P1901
P6581
P7231
P4065
P4014
Atom C of residue 27
P7822
P1890
Atom HD3 of residue 54
P2257
P7322
P2331
P3000
ListSingletonContainer110
P3506
P3320
P4713
P3251
P5474
P7914
P4888
P6087
P7821
P13119
P2108
P112
P3118
P8512
P4690
Atom N of residue 54
P1694
Atom O of residue 56
P7943
P5661
P1300
P2145
P3634
P7756
P2443
P2306
P8957
P4826
P5474
P2972
P4751
P3478
P1852
P7043
P2757
P2995
P8380
P13619
P129
P7203
P2410
P6215
P2069
P7602
P4
P2254
P9668
P7035
P6556
P2978
P7110
P3484
Atom HH11 of residue 54
Atom CA of residue 56
P5437
P0
P7504
P1281
P2632
P11025
P3913
P7297
Atom HA of residue 62
P6893
P2962
P3468
Atom HZ1 of residue 63
P3605
P2347
P3039
P3545
P10314
P7109
P5616
Atom C of residue 29
P3038
P3544
Atom N of residue 35
P8085
P5567
P7747
P6115
P12357
GLY
P2476
P1721
P13120
Atom HD13 of residue 13
Atom CA of residue 127
P2332
P2851
P2076
P1891
P4922
P5933
P6279
Atom HB1 of residue 28
P4675
P3703
P4494
P8008
P2303
LEU
Atom C of residue 69
Atom NH2 of residue 42
P5595
P4284
P1
P6582
P7386
P7232
P5185
ListSingletonContainer227
P4066
Atom HB2 of residue 4
P7823
P6089
Atom O of residue 2
P7135
P8268
P1
P8381
Atom H of residue 48
P5475
Atom HG2 of residue 63
P8357
P3193
P6187
ListSingletonContainer461
P1690
P4751
Atom CB of residue 18
P8376
P1884
P4685
P8489
P5662
P3522
P4015
P4890
P7323
P7363
P8074
P8958
P2950
P4827
P3001
P5475
P3507
P3321
GaussianProcessInterpolation40
P4714
P3252
Atom O of residue 27
P5438
P3102
P3119
P7748
P13620
P4691
P2258
P6216
P2109
P1902
P8261
P6078
P9669
P2426
P6651
P1853
Atom HH12 of residue 54
P2377
P1303
P3635
P6280
Atom HG2 of residue 11
P7944
P2973
P4752
P3479
P8513
ARG
P1337
P7757
P3606
P2255
P2758
Atom C of residue 56
P2146
P2292
Atom CB of residue 29
P5289
P7603
P2477
P2307
P7036
P6487
P6557
P2979
P7111
P1341
P3485
P7915
Atom CD of residue 24
P6116
P6088
P7822
P0
Atom CA of residue 47
P8358
P1
P3
P2348
P5186
P2633
P11026
P3914
GLY
Model 117
P2963
P3469
P3040
P3546
P10315
PHE
P130
P5617
Atom O of residue 69
P7044
Atom C of residue 127
P3039
P3545
P2444
P5568
P190
P1695
P125
P2070
P13121
P7136
P8269
P2852
P2996
P7204
P181
P4923
P5934
P7505
Atom N of residue 14
Atom CB of residue 29
P4676
P3704
Covariance1DFunction 21
P8377
P4067
P2077
P4495
P8009
P12358
P4285
P6583
Atom HB2 of residue 48
P1892
P4891
Atom HB of residue 5
P2411
P7110
Atom CE2 of residue 59
P4
P8075
P7233
P8382
P7824
P2378
SingletonScore 1
Atom CA of residue 73
P5290
P3194
P6188
P3103
Atom CA of residue 4
P4752
P6488
P4686
P5476
Atom OE2 of residue 24
Atom CA of residue 54
P8490
P1722
P1286
P2333
P1691
P8262
P120
P192
P6652
P4016
P1342
P2304
P1304
P7324
Atom HZ2 of residue 63
P7364
P7387
P8086
P4828
P3002
P5663
P3508
P3422
P3322
P7749
P4715
P3253
Atom CD1 of residue 56
ARG
Atom CD of residue 29
P5596
Atom HG22 of residue 5
P3120
P5476
P13621
P4692
P2293
P2477
P6090
Atom H of residue 42
P8959
P6079
P6217
P3636
P6281
P1885
P2974
P4753
P3480
P7298
P8514
P2259
Atom HE3 of residue 63
Atom N of residue 53
P3607
P2759
P7170
P8491
Atom O of residue 29
P7045
P1425
GLY
P5569
P2980
P3486
P7916
Atom CA of residue 102
P1696
P6089
P7823
P8359
P5187
P2634
P3915
P454
P2147
P2964
P7506
P3470
P2110
P1903
P3041
P3547
P9670
P8010
P6117
P5618
P12359
Atom OD1 of residue 48
P3040
P3546
Atom CA of residue 8
P7945
P2997
P2427
P3423
P7111
P7604
P7758
P2478
P2853
P7037
P6558
P7112
P7299
P7205
P4892
P184
P4924
Atom HZ1 of residue 63
Atom HZ3 of residue 63
Atom CA of residue 53
P4677
P3705
P8378
P11027
P13617
P4496
Atom HA of residue 15
P5439
P2071
P1287
P6189
P4286
P2308
P2256
P10316
P1854
P2305
Atom C of residue 73
P7365
P1
Atom HG21 of residue 23
P8076
P7750
Atom CD2 of residue 59
Atom CD2 of residue 56
Atom CZ of residue 59
P1723
Atom CA of residue 54
P5291
P3195
P2334
P3104
P2349
P2445
P4753
P6489
P4687
P1893
P8492
Atom N of residue 49
Atom HA of residue 42
P8270
P8960
P8087
P6080
P4068
P6653
P4017
Atom HG3 of residue 54
Atom O of residue 56
Atom H of residue 24
P2379
P1306
P6894
P13122
P7325
Atom CA of residue 35
P6584
P7388
P4829
P3003
P3509
P3323
P2078
P4716
P3254
Model 351
P5597
P3121
P4693
P5935
P6091
P1426
Atom CE of residue 29
P7234
P9671
P7825
P7917
P2260
P2412
P6090
P7824
P3637
P8383
P2975
P4754
P3481
P5477
ScoreState 15
P2148
P2294
P7137
P3608
P1688
P8263
Atom HA of residue 12
P2760
P11
P6118
P6218
P1331
P7046
P5664
P2981
P3487
P2478
P7605
P2111
Atom C of residue 74
P2351
P5477
P2635
P7038
P6559
P3916
P13618
P1855
P7113
Atom HB3 of residue 48
P7300
P7206
P5440
P457
Atom H of residue 29
P2965
P7507
P3471
P6282
Atom C of residue 53
P3042
P3548
P5570
P11028
P8515
P1697
P5936
P6895
P5619
Atom HZ2 of residue 11
P3041
P3547
P2257
P1886
P7946
P10317
P7112
P7759
Atom HG22 of residue 23
P8271
P2854
P2428
P8011
P4893
P4925
Atom HZ3 of residue 33
P2072
P2336
P4678
P3706
P2446
P8267
P5189
P4497
Atom N of residue 64
P5598
P4287
Atom HB2 of residue 15
P13123
P8360
P1904
Atom CB of residue 74
P6585
P1306
P4830
P2998
P2079
Atom C of residue 54
Atom HZ3 of residue 63
P3196
P6190
P107
Atom HG21 of residue 9
P4754
P7389
P7751
P4688
LEU
P6092
P7138
P7366
Atom C of residue 35
ListSingletonContainer91
ListSingletonContainer341
P4018
Atom HG2 of residue 48
P1894
P1301
P12360
P7326
GLY
Atom HB2 of residue 42
P2479
P3105
P8961
P3004
P3510
P8384
P3324
P4717
P3255
Atom NZ of residue 6
Atom CB of residue 56
Atom C of residue 102
P5937
P8077
P2309
P3122
P6081
P2380
P4694
P126
P6219
P5292
P7235
P3424
Model 67
P6490
P2413
P3638
P1282
P1307
P2976
P4755
P3482
P6654
P5478
P5441
P1427
P6283
Atom O of residue 29
P3609
P4803
P2761
P2429
P5571
P7826
P7918
P2306
Atom N of residue 34
P6091
P1887
P7947
P5665
P4069
P131
P2982
P3488
P6119
P2295
P7606
P7760
Atom HD11 of residue 23
P1689
P5478
P2636
P7039
GaussianProcessInterpolationRestraint 8
P6560
P3917
P7114
P8012
Atom O of residue 73
P7825
P1724
P2966
P3472
P2335
P8268
P3043
P3549
P191
P11029
P7301
P8516
Atom CB of residue 24
P6896
P5620
P3042
P3548
P2352
P8089
P10318
P1856
P7207
P4894
P182
Atom HZ3 of residue 11
P8362
P7047
P8272
SingletonScore 13
P2855
Atom O of residue 54
P1698
P4926
Atom CB of residue 56
Atom C of residue 54
Atom N of residue 64
P4679
P3707
P2258
P4498
P2261
P7508
P7367
P1905
Atom CG of residue 74
P4288
P12361
Atom CG of residue 29
P2479
P2480
P6586
P9672
Atom HA of residue 26
Atom O of residue 102
P7113
P2112
P3197
P6191
ListSingletonContainer440
P8078
P4755
P6082
P4689
P2381
P2149
P5293
P1283
P7139
P3106
P2447
P1312
P7236
P2999
P6491
P2080
P4019
P1302
Atom CB of residue 73
P7327
Atom HD2 of residue 68
P2310
P7390
P1888
P3005
P44
P5188
P3511
P3325
P6655
P4718
P13139
Atom HG3 of residue 48
P3256
P5479
P6093
P3123
P4804
P3425
P7827
P7919
P4695
P6092
P1725
P13124
Atom HB2 of residue 57
P5666
P3639
P2073
P5479
P2977
P4756
P3483
P7752
P2307
Atom HB2 of residue 52
P3610
P2762
P4070
P5442
Multivariate Normal distribution 25
P2296
P8363
Atom CG of residue 37
Atom O of residue 35
LEU
P8962
P5572
P8385
P2983
P7208
P8517
P3489
P455
GLU
P7048
P1428
P2637
P3918
P8013
P2414
P2967
Atom CB of residue 54
P3473
P5599
P3044
P4831
P3550
P7948
P1895
Atom N of residue 24
P5621
Atom H of residue 1
P7509
P7761
Atom O of residue 48
P3043
P3549
P2481
P1308
Atom CG of residue 56
P6220
P7826
P2480
LEU
P2856
Atom HB of residue 26
P2262
P4927
P7114
Atom CD of residue 29
P13125
P7607
P2113
Atom HE1 of residue 68
P4680
P3708
P2353
Atom HB3 of residue 57
P7040
P6561
P1857
P7115
P4499
Atom CG1 of residue 61
P1699
P6120
Atom CG of residue 56
P2150
Atom NZ of residue 6
Atom NE2 of residue 2
P6284
ListSingletonContainer394
P1906
P4289
P11030
P6897
P7368
Atom HB of residue 23
P2448
P8302
P2259
P10319
P13140
ListSingletonContainer0
P7302
P5938
P12362
P6094
P3
P3198
P8079
P8274
P4756
P4805
P8088
P9677
P8386
P4690
Atom N of residue 103
P1284
Atom NH2 of residue 54
DihedralSingletonScore6
P6083
P5190
P4071
P4020
P7328
P7391
Model 78
P4832
P3006
P3512
P3326
P6656
P4719
P3257
Atom HG2 of residue 18
Atom CA of residue 24
Atom CG of residue 73
P6587
P3124
P0
P7237
P3000
P2081
P7828
P4895
Atom CD1 of residue 56
P4696
P2074
P6192
Atom H of residue 35
P2311
Atom HA of residue 48
P5480
P7920
P6093
P3640
P7141
P1429
P2337
P2978
P4757
SingletonScore 20
P3484
P7753
P127
Atom HZ1 of residue 33
P1726
Model 375
P6285
P3611
P7949
P2763
P9673
P2430
P5667
P2481
P7762
P2448
P8963
P122
P5480
P32
P7041
P2984
P3490
P6221
P7827
P7049
P5294
Atom CB of residue 11
P3426
P2638
P6492
P3919
P7209
P1896
P2968
P7608
P3474
P5600
P3107
Linear1DFunction 39
P3045
P3551
P6562
Atom H of residue 63
P7116
P8518
P5622
Atom O of residue 1
P8364
Atom CB of residue 61
P7510
P3044
P3550
P8303
P11031
Multivariate Normal distribution 8
P2382
P6898
Atom HZ2 of residue 63
Atom CB of residue 12
Atom H of residue 54
P1889
P2857
P10320
P1858
P5443
P4928
P7115
P5939
P13126
P2114
P4681
P3709
Atom CA of residue 74
Atom CA of residue 15
P4806
P5573
ListSingletonContainer530
P4500
Atom HG3 of residue 18
P8014
P2308
P6121
Atom CZ of residue 73
Atom N of residue 69
P3180
P4290
Atom HG of residue 57
P2260
P5191
P4896
P3
P6493
P7303
P2415
P3199
P2449
P4757
P6588
P7238
P8387
Atom HB2 of residue 63
P7829
P4691
P6095
P5295
P9674
P4021
P5481
Atom C of residue 24
P2263
P2297
P12363
P7329
Atom OG1 of residue 12
P4833
P3007
P3513
P3327
P2082
P7754
P3258
Atom CE of residue 29
P1907
Atom CE1 of residue 4
P3125
P4807
P8090
P2431
P5668
P183
P4697
Atom HB2 of residue 4
Atom HB of residue 5
P6193
P7369
P8080
P8964
P5481
P1339
Atom CG2 of residue 26
Atom CD2 of residue 56
P1795
P3641
P8273
P3427
P2979
P4758
P3485
P4720
P1700
Atom CG of residue 54
P6286
P3612
P2432
P2449
P7392
P6084
P2764
ListSingletonContainer228
P6657
P13141
P2151
Atom CD1 of residue 73
Atom HZ2 of residue 33
P8365
P7950
P7042
CHARMMStereochemistryRestraint10
P2985
P3491
P2383
Atom HD12 of residue 3
P7828
P1727
P1
P7763
P3108
P119
P2639
P3920
P6222
P2075
P2969
P7609
P1
P3475
P2482
P3046
P4808
P3552
P6563
P7117
P8519
P8015
P7921
P2309
P6122
P5940
P5623
P6094
P7140
P3045
P3551
P2312
P9675
P11032
P1331
P2858
P3001
P10321
P7304
P5444
P4929
P2416
P7050
Atom HA of residue 54
P4682
P3710
GeneralizedGuinierPorodFunction 60
P5574
P4501
P5418
P3181
Atom HG12 of residue 3
P4291
P5192
P7210
P1897
P4897
Atom NH1 of residue 73
P12364
P7511
Atom HA2 of residue 35
P6494
P13142
Atom HB3 of residue 63
P1430
P3200
P4758
P6589
P8091
P1890
P4692
P456
P7116
P2298
Atom CD of residue 54
P5296
P2115
Atom CG2 of residue 12
P5601
P8081
P2450
P7239
P4072
P4022
P7830
Restraint 176
P2152
P7330
P8461
P6194
Atom HG1 of residue 9
P3008
P2432
P3514
P3328
P1859
P3259
P5482
P2264
P6899
P13127
P3126
P6658
Atom CD of residue 42
P4698
P1796
Atom N of residue 4
P7370
P8275
Atom N of residue 58
Atom CA of residue 70
P5669
P7755
P1701
P7829
P3642
P2483
P5482
P2980
P4759
P3486
P4721
Atom H of residue 26
Atom NZ of residue 29
P2482
P2076
P6096
P3613
P7393
P2261
P4834
P6085
P2765
P8388
P5417
P5941
P1728
P116
P5602
P2350
P2986
P3492
Atom CD2 of residue 73
P1908
P8965
Model 278
P2640
P3921
P132
P1861
Atom CA of residue 18
P5445
P7051
P2970
P7142
P3476
Atom HA3 of residue 35
P8264
P3047
P3553
P5575
P3428
Atom HB2 of residue 42
P8016
P7922
P5624
P6095
P4223
Atom HD22 of residue 71
P3046
P6287
P3552
P3002
P2083
P1898
P6223
P6900
P7512
LEU
P2450
P2859
P2310
P6123
P4930
P1431
P4683
P3711
Atom HG23 of residue 7
P8092
P1895
P7951
P2433
P4502
P5418
P7117
P7610
P7764
P2116
P3182
P4292
P5193
P193
P7043
P4073
P6564
P7118
P7305
P7211
P8520
Atom HD3 of residue 11
P8462
Atom HB2 of residue 54
P8277
P4809
P11033
P13143
Atom N of residue 6
P13128
P3201
P5603
P3109
P4759
P2313
P10322
P4693
Atom HD21 of residue 15
P8370
P1335
P7371
P8082
ASP
P7756
P4023
P2384
P2417
P2483
Atom NE of residue 54
P7331
P3009
P3515
P3329
P3260
P4899
Atom HB3 of residue 24
P5419
P2484
Atom CA of residue 5
Atom C of residue 70
P3127
P8093
P4835
P6086
P8389
P6495
P6659
Atom HA of residue 14
P4699
P2153
P6195
P6590
P7394
P2
P3643
P5297
Atom HB of residue 22
Atom HG2 of residue 54
P2262
P9676
P2981
P4760
P3487
P4722
Atom CD of residue 63
P2
P2299
P7830
P12365
ILE
P6097
P7143
Atom CA of residue 69
P3614
P2451
P7240
P1891
P2766
P1862
Atom HB3 of residue 42
P7831
P7923
P6096
P6288
Restraint 108
P3003
P2987
P3493
P5483
Atom C of residue 18
P2641
P3922
UnaryFunction3
P6124
P8372
P7052
P2971
P3477
P8265
Atom N of residue 8
P3048
P3554
P5670
P2084
P1702
P2265
P6224
P5625
P4224
Atom N of residue 108
P7611
P3047
P3553
Atom N of residue 36
P8966
P5483
P5194
P7044
P6565
P7119
P7306
P7212
Atom HG2 of residue 41
P5446
P6901
P7513
P2451
P4810
P2860
P5576
P11034
Atom CG1 of residue 26
P2385
P4931
P1797
P4684
P3712
P7952
P10323
P4503
P1899
P2419
P7118
Atom HG3 of residue 24
P7765
P3183
P1909
P4293
P3429
P8521
P8017
P2311
P3110
P8278
ListSingletonContainer455
P5419
P2484
P3202
P1349
P4760
P8094
ListSingletonContainer92
P6496
P4694
Atom O of residue 18
Atom HD23 of residue 71
P6591
P2314
P4024
Atom HE21 of residue 41
Atom HD22 of residue 15
P151
P1729
P2077
Atom O of residue 54
P5298
P7332
Atom HZ3 of residue 11
P3010
P3516
P3330
P7757
P3261
Atom H of residue 26
Atom H of residue 73
P12366
Atom CD of residue 2
P6098
P3128
P4074
P4700
P5942
P1432
P8463
P6196
P4811
Atom HB of residue 14
P2300
P3644
P13129
TRP
P7372
P8083
P2568
P6087
P2982
P4761
P3488
P4723
P13144
P2154
P7144
P2117
Atom HG21 of residue 22
Atom HG3 of residue 54
P3615
P7395
P7241
P2767
P7832
P2266
P2418
Atom CG of residue 59
P8967
P1892
P2434
P6660
P2988
P3494
P5484
P4898
P5447
P121
P5577
P8390
P2642
P3923
Atom HB3 of residue 8
P7924
P1703
P6097
P8373
P2972
P3478
P1350
P3049
P3555
P7953
P5671
P6125
P5943
P5626
P2
Atom HA of residue 29
P5420
P2078
P4225
P7612
P7766
P3048
P3554
Atom CG of residue 40
P2263
P4836
P5484
P7045
P6566
P7120
P1870
P8018
P1798
P7831
Atom CA of residue 58
Atom O of residue 70
P2861
P3004
P11035
P133
P7307
P8522
P4932
P5422
P8464
P4685
P5604
P3713
ILE
P10324
P194
P1863
P7213
P4504
P2312
P13130
P7053
Atom C of residue 69
P3184
P2485
P4294
P2386
Model 416
P6289
ListSingletonContainer395
P7
P8279
Atom N of residue 12
P4076
P2085
P1900
P6902
Atom HA of residue 73
Atom HG23 of residue 5
P7514
P3203
P4761
P6497
P4695
P5421
P1730
P1433
P1910
P2452
P6592
P8391
P4025
Atom H of residue 42
Atom HA of residue 26
P7119
Atom CD1 of residue 59
P7333
P8084
P6088
P3011
P3517
P3331
P13145
P3262
Atom HE22 of residue 41
P2315
P3129
P7242
P8095
P1893
P9678
P5195
P3430
P195
P7833
P185
P4701
P12367
Atom N of residue 72
P4812
P6661
Atom HE22 of residue 2
P5485
P2155
P3645
P6099
P2118
P27
P2983
P4762
P3489
P4724
P7925
P6098
Atom CA of residue 108
P7145
P3616
P7396
P2768
P5672
P4900
Atom CD of residue 63
Atom N of residue 6
Atom CG of residue 19
P6225
P5944
P6290
P7373
Atom NH1 of residue 42
P2454
P2452
P8968
P5485
P7758
P2989
P3495
P1871
P6197
P3111
Atom HG3 of residue 40
P2643
P4075
P3924
P5448
P2267
P5422
P8374
P2973
P5299
P3479
P5605
Atom CA of residue 36
Atom OE1 of residue 40
P3050
P3556
P5578
P7214
P5627
P2485
P4226
P7054
P3049
P3555
Atom C of residue 58
Atom CG2 of residue 70
P4839
P8019
P7832
P8280
Atom HG22 of residue 7
P2264
P7954
P2862
ListSingletonContainer247
P8361
P1864
P1901
P4933
P6903
P2301
P2079
P7515
P7767
P8465
Atom CB of residue 69
Atom C of residue 68
Atom HD2 of residue 54
P4686
P3714
P2435
P68
P4505
Atom CD of residue 19
P5420
Atom HB2 of residue 29
P13131
P3185
P4295
P5196
ScoreState 8
P2086
P8523
P7120
P7613
Atom HG22 of residue 22
Atom HE22 of residue 40
P9679
P7046
P6567
P7121
P6126
P3204
P4762
P8096
P3005
P6498
P11036
P4696
P2387
P458
P1704
Atom HA of residue 24
Atom CG of residue 2
ALA
ARG
P10325
P8392
P4026
P7308
P6100
P5300
P7334
P8085
P2453
P1
P3012
P3518
P3431
P3332
Atom HA of residue 42
P3263
P1799
Atom CD2 of residue 59
P1
P7146
P1434
Atom CB of residue 68
P1322
P2486
P3112
P3130
P6089
P2437
P8232
P4901
P188
Atom CE of residue 63
P4702
P6226
P7374
Atom NH2 of residue 42
P4821
P8969
P6662
P3646
P6593
P2316
P7243
P2984
P4763
P3490
P4725
P7834
P2313
P5421
P12368
P1731
P8375
P3617
P1911
P2453
P2769
P5486
P7926
P2420
P6099
P6291
P5606
Atom O of residue 58
P7759
P13146
P2990
P3496
P5945
P7833
P6198
P7955
P5673
P5098
P2644
P3925
Atom N of residue 42
Atom HB2 of residue 73
P2302
Model 326
P2974
Atom C of residue 28
P7768
P3480
Atom HG23 of residue 22
P3051
P3557
P5486
P1872
P152
P5628
P4227
P7055
P3050
P3556
P7397
P11037
P7215
Atom HG2 of residue 42
P2268
Atom HB3 of residue 29
P7614
P2863
P9680
P7047
P6568
P7122
Atom HA of residue 19
P4934
Atom C of residue 108
P7516
P2119
P4687
P3715
ListSingletonContainer123
P6499
UnaryFunction33
P4506
OptimizerState 1
P1705
P2156
Atom CB of residue 116
P3186
P4296
P5197
P10326
Model 68
P8524
Atom CB of residue 26
P5449
P7121
P2080
ListSingletonContainer397
P5579
P7
P8020
P2388
P1800
P2486
P3205
P4763
Atom N of residue 41
P13147
P4697
P461
Atom HA of residue 60
P1912
Atom H of residue 42
P4027
ListSingletonContainer531
P7309
P6127
Atom HB3 of residue 73
P5301
P7335
Atom NE2 of residue 2
Atom CG of residue 68
P6594
P7244
P1894
P3013
P2436
P3519
P3333
P3264
P7835
P12369
Atom O of residue 108
P6101
P8466
Atom CG of residue 69
Atom HD3 of residue 54
P3131
P2265
P5061
P5487
P4902
P4703
P6904
ALA
P13132
P7375
P5607
P8347
Atom NE2 of residue 40
P4813
P3432
ListSingletonContainer229
P7760
P1902
Atom N of residue 5
P3647
P1732
Atom CE1 of residue 59
P1435
P3113
Atom O of residue 11
Atom H of residue 70
P8970
P3006
P5674
P5099
P2985
P4764
P3491
P4726
Atom CA of residue 7
P5423
P6199
P3618
Atom C of residue 36
P8086
P4870
P2770
P5487
P2314
P119
P2317
P8097
P8393
Atom CA of residue 2
P2087
P2991
P3497
PairPredicate 0
P2269
P6227
P2487
P6090
P2645
P4077
P6663
P3926
P2303
Atom HG2 of residue 29
P2975
P3481
P2120
Atom N of residue 36
P8276
Atom CB of residue 58
P3052
P5062
P3558
P7956
Atom HG11 of residue 5
P5629
P7834
P4228
P1312
P7769
Atom N of residue 23
Atom CG of residue 116
P3051
P3557
P7398
P11038
Atom HB2 of residue 60
P2164
P7615
P7147
P6292
P2864
P7048
P6569
P7123
P1873
P8021
P7927
Atom HG3 of residue 42
P4935
P6905
P6100
P4688
P3716
P9681
P4507
P1706
P5946
Atom CA of residue 72
Atom CD1 of residue 69
P3187
P4297
Atom HA of residue 70
P10327
P1860
P7310
P5450
P6128
P2157
P6228
P7056
Atom O of residue 36
P2454
P5580
ARG
P5423
P1437
P3206
P8467
P4764
P2266
P13148
P7216
P4698
Atom NZ of residue 63
P2421
Atom HZ of residue 4
P13133
P7517
P7376
P8087
Atom H of residue 40
P4814
P4028
P1801
P7336
Atom CA of residue 36
Atom HG1 of residue 7
P6595
P3014
P5199
P3520
P3334
P2088
P3265
P8525
P186
P7122
Atom HG of residue 73
P5424
P3132
P7245
P4871
P7836
P1903
P4903
P4704
GaussianProcessInterpolationRestraint 40
P8371
P8098
P3007
P8394
P5488
P3648
P2487
P2488
P2546
P149
ListSingletonContainer360
P2986
P4765
P6500
P3492
P6664
P4727
Atom C of residue 41
Atom O of residue 4
P2165
Atom CE2 of residue 59
P5302
P7148
P3619
P1913
Atom CG of residue 58
P2455
P2771
P5675
P7761
P7835
P3114
Atom HA of residue 42
P1896
P5488
P2992
P3498
P2389
P6102
P6293
P6200
Atom HB3 of residue 54
Atom HG21 of residue 7
P7399
P6091
P2646
P3927
Atom HA of residue 63
P2976
P3482
Atom CD of residue 116
P2455
P8346
P3053
P5063
P3559
P7928
P5630
P12370
P4229
P3052
Atom N of residue 68
P122
P3558
P8971
P5100
P3433
P1874
P1
P5451
P2422
Atom H of residue 3
P7057
P2121
P2323
P2865
P5581
P8022
P2315
P4936
P6229
P6906
Atom HB3 of residue 60
P6101
Atom HZ2 of residue 27
Atom C of residue 72
P4689
P3717
P4508
P5947
P2304
Atom CB of residue 108
P7518
P3188
P4298
P6129
P1735
Atom HG1 of residue 22
Atom CD2 of residue 69
Atom HB of residue 70
P7957
P459
P1709
P7123
P7616
P7770
P3207
Atom CB of residue 36
P4765
P7049
P6501
P6570
P7124
P7311
P7217
Atom CG2 of residue 5
P4699
P4904
Atom CB of residue 40
P5425
P5608
P1914
Atom CB of residue 37
P8088
P4815
P8099
P11039
P4029
P2488
P7337
P7377
GLN
P2267
P3015
P9682
P2438
P3521
P10328
P3335
P4078
Atom O of residue 41
P3266
P8526
P2270
P2081
P2546
P5303
P3133
P7762
P4705
P2158
P3115
Atom HB2 of residue 42
P2089
Atom NZ of residue 11
Atom HG3 of residue 41
Atom HD2 of residue 42
P3649
Atom HG3 of residue 29
P8468
P6092
P5101
P2987
P4766
P3493
P6665
P4728
P7929
P1802
Atom CG of residue 108
P7149
P3620
P2568
P6596
P5064
P2772
P3008
P13149
P2390
P256
P5424
P12371
Atom OG1 of residue 40
Atom O of residue 72
P5609
Atom HA of residue 9
P5198
P2993
P3499
P7836
P2166
GaussianProcessInterpolation72
P13136
P6103
P1440
P6201
P8348
P7246
P2647
P3928
P7837
P8232
Atom HD11 of residue 73
P6102
P2
P2977
P3483
P2489
P2324
P3054
P3560
P8395
P5489
Atom HB2 of residue 63
P5948
P5631
P2305
P4230
P3053
P3559
P7400
P8972
P1904
P1315
P2316
P6130
P7058
Atom CE of residue 116
P4840
P2866
P5676
P4937
P7617
Atom H of residue 4
P4690
P3718
Atom CA of residue 41
P5489
P7050
P4079
P6571
P7125
P7312
P7218
P4509
P5452
P5426
P7519
P2122
P8469
P3189
P15
P4299
P2456
P4816
P151
P5582
P11040
P1710
Atom HD21 of residue 60
P1897
P7958
P10329
P8233
P2271
P7124
P1736
P7771
P3208
P6294
P2456
P4766
Atom CD of residue 40
P6502
P8527
P4700
P8023
P2423
P2159
P6230
P6907
Atom CG of residue 32
Atom CZ of residue 59
P4030
LYS
P2082
P7338
P3016
P9683
P3522
P3434
P8396
P3336
P3267
Atom HD2 of residue 29
P13137
Atom O of residue 69
Atom OD1 of residue 58
Atom CB of residue 70
P6597
P3134
P13150
P4706
Atom CG2 of residue 40
P2568
Atom N of residue 117
P5610
Atom HB of residue 9
P2268
P8100
P4841
P196
P7763
Atom CA of residue 56
P1803
P3650
Atom CD1 of residue 108
P6104
Atom H of residue 35
P8349
P5102
P2988
P4767
P3494
P4729
P1875
P8234
Atom HD12 of residue 73
P2489
Atom HG3 of residue 24
P3621
Atom CG1 of residue 36
P2569
P5065
P2773
P5200
P2090
P7378
P8089
P2325
P8973
P6093
P4080
P2994
P3500
P1905
P5425
P12372
P6295
P2648
P3929
P7842
P4905
P2978
P3484
P3055
P3561
P6666
P4510
P5490
P5453
P5632
P2167
P4231
Atom HG23 of residue 17
P5304
P7151
P7772
P3054
P3560
P2457
P7401
P7247
P28
P5583
P187
Atom HD3 of residue 42
Atom HD22 of residue 60
P6103
P7959
P2867
P2439
P5677
LYS
P8235
P6131
P4938
P5949
P7618
P2123
P6202
P4691
P3719
P1915
P5066
P3009
P5490
P7051
P6572
P7126
Atom CD of residue 41
Atom O of residue 63
P8024
P6231
P6908
P7837
Atom OD2 of residue 32
Atom OH of residue 59
P8470
P3190
P4300
Atom OD2 of residue 58
Atom HE21 of residue 40
P6503
P11041
P7313
P2391
P1441
P3116
P9684
P10330
P7219
P13138
P7059
Atom CB of residue 72
P3209
P2490
P2457
P4767
P7838
P4701
Atom HB3 of residue 63
Atom HD3 of residue 29
Atom CA of residue 6
Atom CG2 of residue 36
P2269
P8101
P3435
P4031
P7520
P7339
Atom HB of residue 26
P3017
P3523
P8397
P3337
P3268
P8528
P7930
P2317
P2160
P2306
P5305
Atom N of residue 25
P6598
P3135
P5201
Atom C of residue 56
P4906
Atom CA of residue 20
P3
P4707
P7125
P2569
P8090
Atom CG1 of residue 70
ListSingletonContainer22
P1898
P4842
P6094
P6667
P1876
P3651
P5611
P8350
P4817
Atom O of residue 24
P2989
P4768
P2091
P3495
P4730
Atom H of residue 3
P2424
P3622
GaussianProcessInterpolation20
P2570
P2774
P2440
P5491
P2272
P1733
P6105
P7379
Atom HB3 of residue 11
P7248
P124
P2995
P3501
Atom CB of residue 63
P460
P6104
P6296
P2
Atom HG12 of residue 26
P5678
P2649
P3930
P13151
P5950
P2168
P2979
P3485
P3056
P8974
P3562
P5491
P5104
P7764
Atom OE1 of residue 41
P4511
P1906
P5633
P12373
P5427
P4232
P3055
P3561
P1916
Model 257
P7839
Atom N of residue 5
P2392
P5454
P1707
Atom N of residue 18
P3117
P2868
P5584
P7220
P4939
P257
P2490
P7060
Atom CG of residue 72
P6203
P4692
P3720
P5067
Atom HG2 of residue 63
P1804
P7842
Atom O of residue 67
Model 170
P1470
P3191
P4301
P2326
P4818
P7960
P5426
P6232
P13134
Atom H of residue 59
P7521
Atom CB of residue 1
P2491
Atom H of residue 58
P2458
P7402
Model 233
P1311
P1899
P8025
P7931
P2318
P2083
P7150
P3210
P2458
P4768
P4702
P7126
Atom HD13 of residue 73
P7619
P11732
P5202
P10515
P7052
P4032
P6573
P13152
P7127
P6132
P2307
P7340
Model 12
Atom H of residue 9
P3018
P3010
P3524
P3338
P11042
P3269
P8529
AngleSingletonScore0
P2425
P5306
P3136
ListSingletonContainer95
P3436
P7314
P4907
P4708
P2273
Atom N of residue 68
P6106
P2570
P8471
P7380
P8091
P1699
Atom CB of residue 24
P6668
P2161
P6909
P7838
P3652
P1734
P2124
GLY
P0
Atom HG13 of residue 26
P8351
P6095
ListSingletonContainer230
P2990
P4769
P3496
P4731
P5435
P7773
P3623
P2571
P8975
P2775
P12374
P6599
P7249
P4081
P2996
P3502
P7840
Atom CA of residue 61
P1471
P8102
P4843
P10331
P8398
P2650
P3931
Atom CG of residue 63
P5492
P6105
P2980
P1436
P3486
P117
P2492
P3057
P3563
P7765
P4512
P1877
P5951
P5634
Atom H of residue 32
P2084
P4233
P13135
P3056
P6204
P3562
P5612
P7961
P5679
P2491
P2327
P2869
P2441
P5492
P6683
P1907
P7932
P4940
P1805
Atom HE2 of residue 29
P5428
P7061
P6297
P4693
P3721
P7221
Atom C of residue 15
P2393
P1
P1708
P6910
Atom HD21 of residue 73
Atom H of residue 56
P7620
ASN
P3192
Atom CD1 of residue 36
P1917
P4302
P2272
P4819
P11733
P7053
P6574
P7128
P7522
P7152
P7403
Atom CB of residue 63
P5103
P11043
Atom N of residue 1
P5428
P7839
Atom CB of residue 39
P3211
P4769
P2092
P4703
P5455
P7127
P6233
P8472
P0
Atom HA of residue 58
P3011
P5203
P5585
P4033
P13153
P2319
P6133
P2169
P7341
Atom CA of residue 117
P120
P8352
P2
P3019
P3525
P3339
Atom HG23 of residue 55
P3270
Atom HB of residue 13
P1700
P3137
P7315
P8026
P4709
P2571
P2
P2125
P2459
P6600
P7250
P5069
Atom CB of residue 41
P3653
ARG
P6107
P3118
P2459
P8103
P4844
P10332
P8399
P2991
P4770
P3497
P4732
P5493
P2274
P2162
P2492
Atom CG of residue 39
P7774
P7381
P3624
P2572
P5417
P2776
P6504
P4082
P7766
P8530
P2426
Atom C of residue 61
Atom HA of residue 32
P5429
P5307
P2328
P8976
P5680
P2997
P3503
P4909
Restraint 592
Atom H of residue 36
P8092
P5493
P2651
P3932
Atom HA of residue 19
P7841
P1878
P5435
P2308
P2420
P2981
P3487
P6298
Atom HA of residue 7
P3058
P3564
P3437
P4513
Atom H of residue 63
P5635
P4234
Atom HA of residue 56
Atom CA of residue 25
P3057
P1472
P3563
P5613
P1900
P6096
P11734
P8240
P6669
Atom HG3 of residue 11
Atom CD of residue 63
P1908
Atom HE22 of residue 62
P7153
Atom CG of residue 63
P7962
P2870
P4941
P7840
P6205
P4694
P3722
P7404
P2273
P5418
P6234
P6911
P7621
Atom HZ3 of residue 29
P3193
P4303
Atom HB2 of residue 58
P5105
P7054
P6575
P7129
Atom O of residue 15
P6134
P6106
P2170
P12375
P5
P6505
P11044
P2093
Atom HB2 of residue 19
P2394
P5952
P3212
P3119
P4770
P5204
P7316
P4704
P5456
P5430
P7062
Atom C of residue 117
P2442
P5586
P4034
P7933
P1322
P2320
P1806
P7342
P3
Atom H of residue 26
P2460
P4820
P8104
P3020
P3526
P3340
P3271
P7222
P8027
P7523
P7382
P1918
P2460
P2329
P3138
ListSingletonContainer94
Atom CA of residue 18
Atom CG of residue 41
P4710
Atom CD1 of residue 61
P2572
P5308
P6601
P7128
P3654
P6614
Atom HA of residue 63
P8093
P7251
P3012
P10333
P6
P2992
P4771
P4083
P3498
P4733
P2309
Atom HE3 of residue 29
P8473
P3625
P2573
P2777
P8531
P5494
P5427
Atom OD1 of residue 39
P5614
P8241
P6670
P13154
P2998
P3504
Atom CE of residue 63
P2275
Atom O of residue 37
Atom N of residue 30
P5419
P1901
P5681
P2652
P7767
P3933
P2982
P3488
P2126
Atom C of residue 25
P2493
Atom HA of residue 36
P7405
P3571
P5068
P3565
P5494
P4514
Atom CG1 of residue 55
P5636
Atom HD22 of residue 73
P4235
P6108
P3058
P3564
P8353
P4837
P6097
P5106
P8400
P189
P12376
Atom CA of residue 68
P2085
Atom HB2 of residue 50
P7154
P2871
P7
P4942
P1473
P6206
P4695
P3723
P1701
P8977
P4845
P6506
P4908
P5457
P2427
P7841
Atom CB of residue 21
P7063
P7775
P3194
P4304
P2443
P5587
P8250
P7934
P2163
P6107
P8474
P5420
P3438
Atom CG2 of residue 26
P5953
P7524
P3213
P4771
P11735
Atom HB3 of residue 19
P4705
P1879
P2395
P6135
P1807
P1328
P6299
P7963
P4035
LYS
P7129
P6912
Atom N of residue 61
P7622
P7343
Atom HB2 of residue 63
P3120
P3021
P3527
P7055
P3341
P6576
P7130
P3272
P7317
P7223
P8028
P2321
Atom HZ1 of residue 29
Atom HB2 of residue 56
P3139
P8401
P11045
P1910
Atom HB of residue 12
P4711
Atom CG of residue 21
P2573
P7776
P7383
P2270
P2094
P13155
P8532
Atom CG2 of residue 55
P5429
P6235
P3655
P6615
Atom NZ of residue 116
P8094
P8354
P8105
P4846
P2993
P4772
P3499
P7768
P4734
P2493
P2086
P3
P2494
P3626
P2574
P2461
Atom CD of residue 63
P3572
P2778
P2276
P3571
Atom CB of residue 41
P1702
P5421
P6098
P3013
Model 69
P6671
P2999
P3505
P462
P2310
P2171
Atom OD1 of residue 32
Atom HB3 of residue 50
P2127
P1919
P2461
P6602
P5205
P5107
P2653
P3934
P3
P2983
ILE
P3489
P6300
P5615
Atom HE2 of residue 11
P3566
P4515
Atom HA of residue 26
P5637
Atom C of residue 68
P4236
P6109
P3565
Atom HB3 of residue 58
P2330
P7252
P11736
P1880
P7935
P192
P6108
P5431
Atom HB3 of residue 56
P5309
P7155
Atom CG of residue 25
Atom HB of residue 36
P1902
P2872
P10334
P3439
P7843
P5495
P4910
P4943
P5954
P12377
P7777
P4696
P3724
Atom NZ of residue 63
P4943
P8978
P6577
P6136
P2164
P7064
P1474
P3195
P4305
P7406
P5682
P1911
P2428
P6913
P7623
P8475
P5495
P7056
P4084
P7131
P7318
P7224
P5458
P7525
P3214
P4772
P5588
P11046
Atom C of residue 23
P4706
Atom HD23 of residue 73
ILE
Atom OD1 of residue 21
P6207
P7964
ListSingletonContainer231
P6507
P4036
P5430
P7130
P6236
P8502
Atom HZ2 of residue 29
P7344
P8106
P3022
P3528
P3342
P3273
P2172
P2494
P3140
P4847
P2444
P5206
P8402
P2095
P4712
P2574
P5310
P3121
P2271
P0
Atom NZ of residue 63
P3656
Atom HA of residue 15
P2336
P6616
Atom N of residue 59
P2462
P8355
P6603
P2994
P4773
P8238
P3500
P4735
Atom CD1 of residue 55
Atom OD1 of residue 25
P5616
P3627
P2575
Atom H of residue 7
P3573
P2779
P7769
P8533
P8029
Atom HG2 of residue 62
P6110
P3572
P1920
P126
P3000
P3506
P463
P1808
P7156
Atom OE1 of residue 41
Atom HG12 of residue 36
P5108
P10335
P2654
P3935
P4911
P2396
P2322
P2429
P5432
P2984
P3490
P6301
Atom HE21 of residue 41
P7384
P8095
P1703
Atom H of residue 63
P4944
P8979
P6099
P3567
P3014
P197
P13156
P4516
Atom OE1 of residue 40
P5638
P4
P2311
P4237
P3566
P7253
P11737
P1912
Atom CA of residue 30
P2495
P2873
P6672
P5496
P4944
Atom HG of residue 56
Atom HB3 of residue 63
P4697
P3725
P2462
P2331
P4822
P5589
P6578
Atom CB of residue 23
Atom H of residue 63
P7844
P6109
P3196
P4306
ListSingletonContainer21
P7965
P5683
P6137
P5431
P5955
P8503
P12378
P7624
P113
P5496
P7057
P7132
P1881
P2277
Atom HZ3 of residue 29
P3215
P4773
P128
P3440
P6508
P11047
P4085
P7319
P4707
P7936
P7843
P6208
P5422
P1903
P4037
P7225
P7065
P7345
P2128
Atom CD of residue 49
Atom HG23 of residue 70
P3023
P3529
P3343
P8239
P13157
P3274
P2165
P6237
P5433
Atom HG of residue 50
P3122
P3141
P7407
P5207
P8030
Atom O of residue 55
P4713
Atom HB2 of residue 15
P2575
P5311
P7526
P1475
P4945
P1809
P3657
P2173
P6617
P8476
P6604
P2995
P4774
P3501
P4736
P5459
P7131
P6914
Atom N of residue 74
Atom HE22 of residue 41
P3628
P8096
P2576
TYR
P3574
P6100
P2780
P198
P8534
Atom N of residue 10
P1417
ScoreState 40
P2087
UnaryFunction10
P3573
P2
P2497
P5617
P1921
P2463
Atom CG2 of residue 9
P7254
P4848
P5109
P135
P3001
P3507
P2397
P2323
P2495
Restraint 157
Atom NE2 of residue 49
P2445
P10336
P2655
P6673
P3936
P5497
P4912
P6111
P2985
Atom HD11 of residue 50
P7778
P3491
Atom HG2 of residue 63
P7385
P8357
P1704
P4823
P8107
P3568
P8403
P4517
P190
P5639
P6110
P1365
P4238
Atom C of residue 30
P3567
P5684
Atom H of residue 40
Atom O of residue 26
P5956
P12379
P8980
P2874
P5497
P4086
P7770
P4945
P2312
P4698
P3726
Atom N of residue 71
P2096
Atom HB2 of residue 8
P7937
P1
P1306
P3197
P6302
P4307
P2463
P5590
Atom CE2 of residue 28
Atom HH21 of residue 72
P7226
Atom HA of residue 63
P1909
P5460
P6915
P7066
P2129
P6209
P11739
P1882
P0
P3216
P4774
Atom HA of residue 63
P7966
P3015
P4708
P2278
P1366
P7527
P7157
P2496
P4038
P2166
P7844
P2088
P7346
P8477
P2332
P3024
P3530
P3344
P13158
P3275
P7132
ARG
Atom HD11 of residue 56
P7625
P1476
P3142
P7408
P7058
P6579
P7133
P7845
P8031
P4714
P6138
P8504
P2497
P2576
P1307
P4946
P3441
P11048
Atom CB of residue 55
P1810
P6238
P3658
P6618
Atom CA of residue 41
Atom HG13 of residue 36
P2446
P2996
P4775
P3502
P4737
P7320
P5432
P1418
P6112
P7779
P7386
P3629
P8097
P2577
P5423
P8108
P1904
P4849
P2781
P8404
P2174
P1367
P3574
P1327
Atom H of residue 49
P2464
Restraint 92
P6101
P5209
P6509
P2097
P3002
P3508
P5312
Atom CA of residue 59
P2464
P8981
P2656
P6674
P3937
P4913
P2430
P2986
P3492
Atom O of residue 25
P6605
P3575
P7255
P3569
UnaryFunction35
P4518
P5640
P4239
Atom HD12 of residue 50
P6303
P3568
Model 208
P1705
P8535
P5498
P6111
Atom N of residue 30
P7158
P3123
P2875
ListSingletonContainer96
P44
P7771
ILE
P4946
P5957
P8505
P4699
P5618
P3727
P1922
Atom HB2 of residue 63
P7967
P5685
P10337
P2398
P2496
P1368
P3198
LEU
P4308
P5498
P1883
P7938
P464
P6916
P5434
P7067
P8356
P4824
P7227
P2324
Atom HD12 of residue 56
P7626
P1315
P3217
Atom HG21 of residue 36
P4775
P5110
P7059
P6510
P6580
P7134
P4709
P7528
P2130
P6210
P7409
P3016
P11049
P4039
P7846
Atom CA of residue 54
P6239
P7347
P118
P3025
P3531
P3345
P3276
P5433
P7133
P12380
Atom N of residue 42
Atom CG2 of residue 7
P3143
P8109
P5591
Atom HA of residue 40
P4715
P6139
P2577
P7780
Atom C of residue 41
P11738
P13160
Atom HB2 of residue 63
P8179
P3659
Atom H of residue 24
P6619
P5313
Atom HD2 of residue 37
P1905
P2997
P4776
P3503
P4738
P7321
P4914
P5461
P2279
P2431
P2313
P2175
Atom HG3 of residue 63
P3630
P2578
P6606
P5424
P2782
P7772
P1811
P6113
P8478
Atom C of residue 59
P2333
P2098
P3003
P3509
Atom HD13 of residue 73
P5499
P8032
P7845
P7387
P2465
P2657
P3938
P2083
P2167
Atom CA of residue 30
P2987
P3493
Atom CZ of residue 42
P3576
P8982
P3570
P2447
P5686
P10338
P3442
P4519
P5641
P4240
P3575
P1477
P3569
P8098
P4947
P5499
P5111
P8536
P7159
P4825
P2876
ListSingletonContainer233
P8405
Atom C of residue 54
P2399
P2325
P4947
P8506
Atom CB of residue 25
Atom HD2 of residue 63
P4700
P5619
P3728
P3124
P6102
P5208
P6675
P1314
P8180
Atom CA of residue 74
P3199
P4309
P8358
P1
P4850
P7968
P3017
P7135
Atom HB2 of residue 40
P7847
P5434
P1419
P12381
P7627
P3218
P8479
P0
Atom CA of residue 71
P4776
P2334
P7060
P6511
P6581
ListSingletonContainer532
P4710
P6140
P6917
P6112
Atom HD13 of residue 50
P7781
P6211
P2498
Atom HG22 of residue 36
P1706
P11050
P4040
Atom HB3 of residue 63
P5958
P7348
P6304
P1923
Atom CA of residue 11
P3026
P3532
GLY
P3346
P3277
P7322
P191
P5462
P2089
P7068
P2131
P3144
P7410
P5425
P11740
P5592
P7939
P2084
P4716
Atom HB2 of residue 24
P2578
Atom CB of residue 49
P31
P8406
P7228
Atom HD21 of residue 73
P8033
P2280
P2432
P3660
P6620
P7529
P0
P7388
P1906
P2998
P4777
P2099
P3504
P4739
P13163
P1812
P2168
P7846
Atom HD3 of residue 37
Atom HG21 of residue 9
P3631
P2579
P6607
P8110
P4851
P2783
P1884
P7134
P2314
P1478
P3570
P8099
P7256
P4948
P3004
P3510
Atom C of residue 74
P2465
P3443
P2658
P3939
P8537
P5500
P6240
GeneralizedGuinierPorodFunction 29
P1369
P2988
P3494
ARG
P5620
P3577
P4595
P10339
P6676
P4520
P8181
P5642
P1420
P4241
P3576
P6305
P8359
P2335
P5687
P5112
Atom O of residue 54
PairPredicate 3
P4826
P2877
P5500
P5210
P4948
P5436
P6114
P5314
P4701
P3729
Atom C of residue 11
P6103
Atom HD23 of residue 43
P2498
P2090
Atom HD21 of residue 50
P3200
Atom HD3 of residue 63
P4310
Atom CE of residue 63
P4915
P2326
P2176
Atom C of residue 71
P2466
P8983
Atom HB3 of residue 40
P2433
Atom HA of residue 27
P7069
P7161
P3219
P8480
P2611
P4777
P1707
P11741
P3018
P2448
P5593
P2326
P4711
P5463
P4
P6918
P6113
P12382
P8407
P4041
P7135
P5959
P1370
P7530
P7349
P2132
P3129
Atom O of residue 59
P3027
P3533
P3347
P7773
P7136
P3278
P6141
P8507
P7847
Atom CD of residue 11
P3145
P7411
P2
P8111
P7969
PairPredicate 10
P136
P7940
P2400
P4717
P2579
P7628
P7061
P6512
P6582
P7323
P7229
P8034
P6
P3661
P6621
P5315
P6212
P2466
P5426
P2999
P4778
P11051
P3505
P4740
Atom N of residue 44
Atom H of residue 2
P1885
P2085
P6241
P7389
P3632
P4852
P4596
P2784
Atom O of residue 74
Atom HG22 of residue 9
ListSingletonContainer396
P4595
P1924
P8100
P2363
P4949
P3005
P3511
P2169
P5437
P7257
ListSingletonContainer97
P5211
P2659
P3940
GLY
P4916
P2989
P3495
P3578
P6104
ListSingletonContainer232
P6677
Atom HD13 of residue 73
P4521
P8182
P5643
P4242
P3577
P6306
P2499
Atom CB of residue 59
P8360
P6608
P1907
P3444
P8538
P7848
Atom CG of residue 54
P5621
P3130
P4827
P2878
Atom N of residue 5
P2281
P4949
P5436
P1421
Atom CD of residue 24
Atom HB2 of residue 27
P6115
P4702
P3730
P2612
P1
P6114
P2177
P2611
P7782
P3201
P4311
P2467
P10340
P5501
P1813
P5960
P0
Atom HB3 of residue 21
P7258
P8984
P2449
P5114
Atom NE2 of residue 40
Atom HG12 of residue 61
P6142
P5
P8508
P7070
P3220
Atom OG1 of residue 7
P4778
P11742
P5688
P4712
P7941
P2401
P2327
P1371
P7629
P5501
P7062
P6513
P4042
P6583
P13292
P7137
P7324
P7230
P7849
P6
P7136
P7531
P7350
P5427
P3028
P5594
P3534
P3348
P11052
P7774
P12383
P1479
P3146
P7970
P4718
Atom C of residue 30
P7783
Atom HE2 of residue 63
P4596
Atom CE of residue 11
P2467
P8408
P5464
P3662
P5438
P6622
P5316
P7160
P6213
P2500
P2336
Atom CG2 of residue 17
P134
P3000
P4779
P3506
P4741
P3279
Atom CD of residue 54
P8481
P3633
Linear1DFunction 40
P4597
P2785
Atom C of residue 3
Atom HD21 of residue 73
P6242
P6919
P2499
P3127
P2613
P6609
P7412
P3006
P3512
Atom N of residue 74
P2086
P2170
P5622
P4828
P3019
P5212
P2660
P3941
P8035
P4917
P2282
P6116
P2990
THR
P3496
P1925
Atom O of residue 71
P1708
P3579
P2450
ListSingletonContainer353
P4522
P8183
Covariance1DFunction 65
P2434
P5644
P4243
P2612
P2133
P0
P3578
P1337
P1337
P8362
P8112
P4853
P10341
P1306
P8539
P5
P7390
P8101
Atom CG of residue 59
P4950
P8985
P6105
P2879
P4950
P4703
P3731
Atom OG1 of residue 9
Atom HD13 of residue 43
Atom CA of residue 50
P1886
P1814
P5437
Atom CB of residue 74
Atom HD2 of residue 4
P1480
P3202
P4312
P6678
P13293
P7850
P5502
P1422
P6307
P2468
P5595
P2328
P6115
P7848
P1372
P3221
P4779
P1908
P7971
P11743
P5689
P4713
P2402
P6143
P5961
Atom O of residue 30
P2091
P7630
P7784
P1338
P3128
P5502
P3445
P8409
P7063
P4043
P6584
P1307
P7138
P1313
P12384
P2500
P7351
P115
P3029
P3535
P3349
P11053
P2100
Atom HB of residue 7
P7325
P7942
Atom HA of residue 14
P8482
P6214
P3147
P3
P5428
P7231
P4719
P7071
P7162
P4597
P1709
P5113
ARG
P5465
P8184
Atom CA of residue 47
P8509
P3663
P2178
P6623
P2613
P5318
P2468
P8423
P7259
P3001
P4780
P3507
P4742
P3280
P8036
Model 100
P7849
P5439
P7532
P3634
Atom H of residue 17
P4598
P2786
P5213
Atom NE of residue 54
P2087
P6920
Atom CB of residue 30
P2134
P1339
P2581
P6610
P7413
P8113
P4854
P3020
P3007
P3513
P7137
Atom CG of residue 71
P8102
P4951
P6106
P2661
P6514
P3942
GLN
P2283
P2171
P6243
Atom CE of residue 27
P2991
P3497
P5623
P3580
P7775
P4523
P1887
P5645
Atom CG of residue 74
P4244
Atom C of residue 42
P3579
P2
Atom HE3 of residue 63
P2501
Atom NZ of residue 11
P10342
P6679
P5503
P2092
P6117
P5319
P6308
P7391
P2880
Atom CG1 of residue 2
Atom C of residue 50
P4951
P6116
P1373
P4704
P3732
P11744
P5690
P2101
P1314
P4919
P5962
P1423
P8510
P3203
P4313
P8363
P8986
P5503
P1
P1309
P8540
P7851
P7943
P2435
P3222
P1481
P1926
Atom CD1 of residue 59
P4780
P7260
P5596
P7776
Atom CB of residue 57
P7232
P4714
P7072
P7163
P13258
P8410
P6515
P4044
Atom HD3 of residue 42
P5466
P2179
Atom O of residue 53
P7352
P7785
P2
P2469
P3030
P3536
P3350
P193
P7850
P7533
ListSingletonContainer467
P3148
P4829
ListSingletonContainer23
P5214
P5115
P13294
P137
Atom CG2 of residue 9
Atom HD22 of residue 73
Atom C of residue 47
P4720
P5438
Atom HB of residue 14
P4598
P5435
P8114
P7972
P2451
P2403
P1815
P7138
P3664
P6624
P2581
P7631
P6215
P1
P7414
P1909
P3002
P7064
P4781
P3508
P6585
P4743
P7139
P3281
Atom CA of residue 31
P8037
P6144
P2437
P6244
Atom CG1 of residue 30
P3635
Atom CD2 of residue 59
P1710
P2787
P3021
P3446
P11054
P1308
P7169
P2501
Atom H of residue 11
Atom HH11 of residue 72
P2582
P3008
P7326
P3514
P2329
P6118
P8483
P7392
P8103
P2469
Atom CB of residue 7
P4952
P2662
P7777
P3943
P2992
P3498
P0
P3581
P7261
P6107
P4599
ListSingletonContainer105
P2102
P1334
P4524
Atom HE of residue 42
P5646
P4245
P5317
P3580
P8422
P8987
P6680
Atom HD22 of residue 73
P7
P5440
P1374
P2547
P6611
P4830
P2881
P1888
P4952
P4705
P3733
P1927
P199
P2548
Atom CG of residue 57
P5504
P2284
P6117
P8511
P3204
P13259
P4314
P13296
P5963
P12385
Atom HA of residue 21
P2135
P5624
P4855
P5691
P10343
P8541
Atom CB of residue 54
P2088
P8185
P2172
P3223
P2502
P4781
P5429
P5504
P5116
P4715
P7944
Atom O of residue 47
P5439
Atom HB of residue 30
Atom H of residue 53
P7073
P7164
P8484
P6516
P4045
P7233
P2404
P1816
P7632
P7353
P1480
P1482
P124
P3031
P3537
P7065
P3351
P6586
P7140
P4918
P196
P7534
P6309
Atom CD1 of residue 71
Atom CE1 of residue 59
P3149
P11055
P4721
P5863
P7851
P2180
P2470
P8364
Atom CG of residue 50
P7852
P2436
P7139
Atom CD of residue 74
P3665
P6625
P2582
P6216
P11745
P5597
P3447
Restraint 100
P3003
P4782
P3509
P4744
P1337
P6145
P1424
P2093
P3636
Atom HD11 of residue 50
P7973
P2788
Atom CB of residue 7
P5467
P2330
P7786
P4599
P2583
Atom HZ1 of residue 11
P7415
P8115
P4856
P3009
P7327
P3515
Atom OD1 of residue 52
P1483
Atom C of residue 22
P1711
P6612
P1910
P3022
P2663
P3944
P2
P6119
P2993
P3499
P8424
P3582
P4600
P2452
P2549
Atom HD23 of residue 73
P4525
P5505
P8038
P8186
P2285
P5647
P4246
P3581
P7393
P12386
P5441
P2136
P6310
P4831
P8988
P2882
P5692
P10344
Atom CD of residue 57
P4953
P2502
P4706
P2503
P3734
P8104
P2470
P5430
P4953
P5505
P8542
P1
P5440
P6245
P5829
P3205
P4315
P5215
P13297
P1889
P2089
P2173
P1481
P5625
Atom CA of residue 22
P6108
P2103
P6681
Atom HA of residue 7
P1798
Atom CD1 of residue 50
Atom NE of residue 74
P3224
Atom CD2 of residue 71
P4782
P11746
P2454
P5117
P4716
P5864
P2094
P7165
Atom N of residue 6
P8485
P8365
P148
P4046
ListSingletonContainer533
P4920
Atom HG2 of residue 42
P5468
P3
P7633
P7354
Atom HA of residue 52
P1928
P3032
P3538
P4
P7066
P3352
P6587
P7141
Atom HD11 of residue 30
Atom HA2 of residue 47
P6146
P6118
P13260
P3150
Atom HD12 of residue 50
P7974
P5598
Atom OG1 of residue 7
P11056
P4722
P1817
P5964
P8512
P7262
P8116
P7328
P7853
P3666
P6626
Atom OD2 of residue 52
P2583
P7074
P3004
P4783
P6517
P3510
P7778
P4745
Atom HD23 of residue 73
P7945
P2181
P3637
P2471
P8425
P2789
P5216
P7234
P8039
P1425
P7535
P7787
Atom HB2 of residue 21
P7394
P4600
Atom CD of residue 2
P2584
P1712
P7416
P4857
P3448
P3010
P3516
P5442
Restraint 73
P6613
P200
P2664
P3945
Atom HD12 of residue 30
P7140
P7852
Atom CG2 of residue 30
P2503
P2994
P3500
P6217
P8105
P2471
P5431
P3583
P4954
P4601
P5413
GLY
P4526
P2405
P8187
P6246
P5648
P4247
P3582
P1484
Atom HB3 of residue 52
Atom CB of residue 29
P5506
P6920
P6311
P5626
P13261
P2883
P10345
P6682
P2331
P4954
P4707
P3735
LYS
P5693
Atom N of residue 74
P1890
Atom N of residue 54
Atom CB of residue 17
P5830
P7166
P2137
P3206
P1343
P1930
P4316
Atom CE2 of residue 59
P1911
P56
P5506
P2104
P1799
P4921
P6120
P6109
P2453
P5599
P8543
Atom CG of residue 42
Atom HA3 of residue 47
P12387
P1456
P3225
P4783
P4832
P11747
P4717
P5865
Atom CZ of residue 74
P8513
P1482
P2504
Atom CD of residue 29
Atom CG of residue 4
P8989
P3234
P4047
P7854
P194
P1444
P7075
P7355
P3033
P3539
P3353
P6518
P7779
P13299
P2286
P5441
P6119
P3151
P7975
Atom CB of residue 19
P4723
P5965
P7536
P7788
P1344
Atom CG of residue 8
P7263
P201
Atom O of residue 57
P6147
P2438
P3667
P2182
P2095
P6627
P2584
P2472
P5118
Model 70
P3005
P4784
P3511
P2550
P4746
P7946
P2090
P1818
P2174
P7141
P12388
P7634
P183
P3638
P1
P8426
P2790
P5217
P7067
P6588
P1
P7142
P7329
P7235
P8040
P2406
Atom CD1 of residue 30
P8486
P4601
P1929
P2585
P11057
P0
P3011
P3517
P1525
P6921
Atom N of residue 22
P7395
P1
P1912
P2665
P3946
P7853
P2995
P3501
P6218
P8106
P3584
P4955
P4602
P4527
P5649
ARG
P5443
P4248
P5831
P3583
Atom CZ of residue 59
P2332
P6247
Restraint 28
Atom O of residue 61
P13262
P7417
P8117
P4858
P6110
P2884
P6683
Atom CA of residue 74
Atom O of residue 50
P5469
P4955
P1426
P1457
P4708
P3736
P8496
P6614
P7264
P4833
P2504
P1485
P3207
P5627
Atom CE of residue 29
P4317
P3449
ListSingletonContainer363
P8329
P4922
Atom CG of residue 19
P8189
P6121
Atom CG1 of residue 17
Atom CB of residue 71
P2472
Atom CD of residue 11
P8544
PHE
P5442
P6120
P2138
P3226
P6312
P4784
Atom HD13 of residue 50
P7976
P10346
P7780
P4718
P5507
P5966
P5432
P8990
P4048
P138
P2287
P6148
Atom H of residue 52
P7076
P7356
Atom HA of residue 11
P1713
P3034
P3023
P5694
P5119
P3540
P3354
P2551
P7947
P2091
P2175
Atom NH1 of residue 74
P7635
P1483
Atom H of residue 8
P3152
P5507
P7068
P6589
P7143
P1800
P7330
P7236
P7855
P12389
P7537
P8487
P11749
P11058
P5866
P3668
P6922
P6628
P2585
P3006
P4785
P3512
P4747
P1891
P7142
P8514
P7854
P1442
P7167
P7789
P3639
P8427
Atom HD21 of residue 50
P2791
P154
P1526
P4724
P1819
P5444
P2096
P6219
P4602
P2505
P2586
P13298
P3012
P3518
P5470
Atom HA of residue 52
P8118
P2666
Atom HA of residue 62
P3947
P2996
Model 352
P3502
P8497
P6615
P3585
P4603
P6519
P4528
P5650
P4249
P5832
Model 150
P3584
Atom H of residue 42
P5628
P3024
P5218
P8330
Atom H of residue 2
P8041
P1427
P6122
Atom OD1 of residue 52
P7418
P7265
P4859
P2885
P5600
P4956
P6313
P4709
P3737
P10347
P7781
Atom CB of residue 50
P6248
P2183
Atom H of residue 30
Atom CG2 of residue 17
P1458
P3208
P7396
P8107
P4318
P2473
P5433
P4956
P8991
P1913
P6111
P4923
P2439
P8515
P7168
P2139
P1486
Atom CG of residue 60
Atom HB2 of residue 11
P2455
P3227
P4785
P6684
P1624
P7856
P4719
P5508
P2407
Atom H of residue 47
P6149
P5443
P1443
P1714
P7977
P4049
P5867
P6121
P7357
P1484
P13263
P3035
P5695
P3541
P3355
P6520
P2552
P1801
P5967
P7636
P7790
P8428
P3153
P5508
P3450
ListSingletonContainer237
P7069
Atom HB2 of residue 62
P6590
P7144
P8545
P8188
Atom H of residue 74
P2505
P2473
P4834
P11059
Atom CD2 of residue 8
P7331
P1892
P7948
P5471
P2333
P2176
P3669
Atom HA2 of residue 53
P6923
P6629
P2586
P8119
P3007
P4786
P3513
P4748
P7237
P2097
P7077
P3640
P2792
Atom C of residue 74
P4725
P5833
Atom HA of residue 42
ListSingletonContainer412
P4603
P1931
P2587
Atom HD22 of residue 50
Atom N of residue 48
Atom O of residue 28
P3013
P3519
P8042
P7855
P12390
P5445
P7538
P2506
Atom CA of residue 29
P7266
P1914
P5601
P2667
P3948
P13295
P2288
P2440
Atom HB2 of residue 52
P2997
P3503
P8488
P6220
Atom OD1 of residue 60
P6616
P7419
P3586
P4604
P11748
P5219
P5120
P4529
P195
P7143
P6249
P5651
P4250
P3585
LEU
P8108
P5434
P4957
P6112
P8331
P4924
P2408
Covariance1DFunction 81
P1381
P5629
P2886
P3
P4957
P2184
Multivariate Normal distribution 40
P1459
P4710
P3738
P2474
P4835
P10348
P6685
P5509
P399
P6123
Atom C of residue 40
P3209
P7397
P4319
ListSingletonContainer587
Atom H of residue 28
P2092
P6122
P8516
P13264
Atom HE2 of residue 29
P1625
P1527
P2334
P1820
P5968
P3228
Atom O of residue 7
P4786
P1
P8992
P4860
P5509
Atom CA of residue 48
P4720
Atom HA of residue 30
P7169
Atom CA of residue 43
P4050
Atom H of residue 8
P7857
P7949
Model 110
P5868
P7358
P8489
P3036
P5696
P3542
P3451
P3356
P6521
P7238
P8190
P7078
P2507
P3154
Atom O of residue 74
P8546
Atom HA3 of residue 53
P7791
P6314
P8498
P3025
Atom HB3 of residue 62
Atom CB of residue 41
P1428
P7856
P3670
P12391
P2506
P6630
P2587
P7539
P5602
P3008
P4787
P3514
P4749
P5472
P2289
P5444
P400
P3641
P1717
P7978
P2793
P5121
Atom O of residue 1
P4726
P2177
P7144
P7637
P1308
P2140
P1348
P4604
P2588
P7070
P6591
P2553
P3014
P7145
P3520
P8043
P1382
P1485
P0
P8120
P11750
P2456
P2668
P11060
P3949
P2093
P2098
P6924
P2998
P3504
P6221
P2474
P1333
P3587
P7267
P4605
P150
P7782
P1802
P7332
P4530
Atom CB of residue 42
P1893
P5652
P4251
P6124
Atom O of residue 40
P3586
P7398
Atom O of residue 8
Atom ND2 of residue 60
P8109
P8500
P4958
P202
P8332
P13168
Atom HA of residue 28
P2340
P1460
P8490
P8429
P7420
P6113
P2887
Atom N of residue 10
P4958
P2
P6315
P4711
P3739
Atom N of residue 11
P4836
P8993
P4861
P6686
P2409
Atom CG of residue 41
P1429
P5446
P3210
P1349
P4320
P6617
P1528
P1821
P2441
Atom HA of residue 74
P5220
ASN
P5510
P8191
P6123
P2507
Atom HB3 of residue 52
P3229
P4787
P7783
P4721
P5969
Atom C of residue 36
P5630
P1932
P10349
P4051
P8547
P6250
P2185
P5834
P7359
MolecularDynamicsMover7
P2475
P3037
P5510
P3543
P3357
P7950
P7079
P3155
P3026
P2457
P7239
P4925
Atom CA of residue 7
P7638
Atom NH2 of residue 42
P13265
P2475
P1915
P3452
P7071
P6592
P7146
Atom HB2 of residue 2
P1626
Atom HD3 of residue 6
P402
P8517
P3671
P6631
P2588
P7540
P7171
P8121
P11751
P5697
P3009
P4788
P11061
P3515
P4750
P5445
P2178
P5869
P7857
P12392
P6925
P2141
P3642
P8430
P7979
P2794
P6522
Atom HG2 of residue 62
P7858
P4727
P7145
Atom CB of residue 40
P4605
P2589
P1718
P5436
P8333
P2554
P3015
P3521
P2290
P2669
P3950
P1803
P2999
P7792
P3505
P1486
Atom CD1 of residue 4
P4223
Atom HD23 of residue 50
P3588
P4606
P5221
P7333
P4531
Atom HE3 of residue 29
P5653
P1383
P2099
P4252
P5835
P1
P3587
P6618
ListSingletonContainer106
P5603
P1894
P2094
P5473
Atom HB2 of residue 74
P6125
P1933
P7421
P2888
P5511
P8044
P4959
Atom N of residue 53
P6316
P2
P7399
P4712
P3740
P13266
Atom H of residue 60
P4870
P4862
P7784
Atom C of residue 22
P5447
SingletonScore 14
P3211
P6222
P4321
P8994
P5122
P10350
P98
P4926
P1314
P6251
P401
P8110
P7268
P4959
P5511
Atom CD1 of residue 8
P2410
P8192
P3230
Atom CB of residue 36
Atom HA of residue 11
P4788
P13167
P139
P4722
JeffreysRestraint_P0
P1461
P5631
P6114
P6687
P4052
GaussianProcessInterpolationRestraint 16
P1430
P8518
P7360
P8491
P2476
P8267
P1916
P3038
P5698
P3544
P3358
P5446
P5870
P2186
Atom CB of residue 30
P2508
P2476
P3156
P7980
P6523
Atom HG3 of residue 62
Atom CB of residue 47
P8548
P1627
P2342
P1822
P2442
P1376
P7639
Atom C of residue 43
Atom N of residue 51
P7072
P6593
P7147
P6124
P3672
P6632
P2589
Atom HA of residue 60
P11752
P3010
P4789
P11062
P3516
P4751
P1529
P5970
P6926
P3643
P8431
P2795
P5123
ARG
P7334
P7859
Atom HB of residue 3
P4728
P7080
GLN
P4606
P2590
P5604
P2555
ALA
P3016
P3522
P7951
P12393
Atom CA of residue 22
P5437
P3027
P2458
P2670
P3951
P7240
P8045
Atom HG13 of residue 30
P3000
P7541
P7793
P3506
Atom NH2 of residue 72
ListSingletonContainer399
P7400
P4224
THR
P3589
P4871
P4607
P5222
P2291
P5654
P5448
P4253
P5836
P7170
P3588
P6619
P8268
P4532
P5474
P7146
P7858
P2142
P8111
P4960
P2889
P10351
P4960
P3741
P13267
P8501
THR
P8122
P5512
P2095
P1377
P1462
P3212
P6223
P5632
P4322
P0
P7785
P6688
P4927
P2411
Atom CD of residue 41
P2179
P1487
P8492
Atom O of residue 43
P1372
P1715
P7269
P13169
Atom HZ1 of residue 29
P8193
P6252
P2508
P2100
P3231
P4713
P2509
P4789
P7422
P5512
P8334
P1804
P2443
P6126
P6317
Atom HB2 of residue 11
P1934
Model 234
P6115
P178
P99
P4053
P7361
P2
P3039
P5699
P3545
P3359
Model 394
P1530
P1895
ILE
P2341
P5871
SER
P3157
P8995
ListSingletonContainer534
P8549
P7860
P4723
P1826
Atom HG12 of residue 30
Atom SG of residue 30
P7081
P5605
P5447
P6125
P3673
P6633
P2590
P1373
P8502
P1917
P7981
P11753
P3011
P4790
P3517
P4752
P5971
P1433
Atom CE of residue 1
Atom CA of residue 40
P7542
P7794
P3644
Atom CA of residue 73
P2796
P4729
P8519
P4607
P2591
Atom CA of residue 9
P3028
P3017
P3523
P7952
Atom O of residue 6
P5475
P7147
P7640
P5124
P2671
P7073
P6594
P3952
P7148
P7335
P7241
P8046
Atom C of residue 30
P2292
P3001
P7172
P3507
P4225
ASN
P3590
P4872
P8123
P4608
P11064
P197
SER
P5655
P2187
P4254
P6927
P3589
Atom CG1 of residue 36
Atom HB2 of residue 72
ListSingletonContainer401
P7401
P2477
P2477
P8433
P8269
P8335
P6524
P4533
Atom OE1 of residue 41
P7859
P1488
P8493
P6318
P6224
P8112
P7270
P4961
P2890
P13170
Restraint 112
Atom HZ2 of residue 29
P2096
P8194
P4961
Atom NH2 of residue 74
Atom HG21 of residue 30
P5449
P2509
P2101
P2143
P3742
P1805
P1628
P2180
Atom CB of residue 1
P3213
P4323
Atom HG12 of residue 3
P6116
P2459
P5224
P3453
P6689
P1827
P12398
Atom HB3 of residue 15
P5837
P2510
P1374
P6620
P5438
P1896
P6126
P8520
P3232
P4714
P5633
P4790
P7423
P10352
Atom HE21 of residue 62
P1716
P4054
P2556
P5448
P6253
P7362
Atom CG2 of residue 61
Atom CB of residue 9
Atom C of residue 25
P7982
P3040
P11754
P3546
P3360
P5513
P4929
P5972
P6127
Atom CG2 of residue 36
P127
P13268
P3158
P8996
Model 279
P6525
P7786
P4724
Atom CA of residue 24
P7082
P1531
P7953
Atom CA of residue 65
P1434
P3674
P6634
P2591
P7641
P1463
P8503
P4838
P5513
P3012
P7074
P4791
P3518
P6595
P4753
P7149
P7336
P7242
P7861
P8195
P2343
P2444
P7543
P7173
P3645
P1935
Atom HB2 of residue 60
P8124
P2797
P176
P5700
P3454
P2412
P4730
P5872
P2188
P6928
P4608
P2592
P2478
P3018
P4534
P8550
P3524
P7148
P7860
ASP
P7795
P6225
P1376
P2672
P3953
P2050
P5450
P3002
P3508
Atom HB3 of residue 11
P2511
P4226
ClosePairContainer
P3591
P4609
P3029
P5606
P1629
P1328
P200
P5476
P5656
P4255
P3590
P1918
P2460
ListSingletonContainer234
P8336
Atom HE22 of residue 62
P2510
Atom CG of residue 18
P5838
P6319
P6621
P5439
P2891
P13171
Atom CG of residue 8
Atom CG of residue 1
P1327
P4962
P12394
JeffreysRestraint_P1
P5634
P3743
Atom HZ2 of residue 11
P5126
P8047
Atom HG2 of residue 38
Atom HG of residue 15
Atom O of residue 52
P1489
P3214
P4324
P7424
P7271
P6254
P2102
P2478
P10353
P1806
Model 306
P1897
P8521
P6128
P3233
P7402
P4715
P13269
P8113
P4791
P8432
P4962
P8997
P6117
P1828
P8270
P11065
P4055
P2557
P2293
P7363
P1464
Atom CE1 of residue 45
P4839
P3041
P3547
P3361
P6690
P7862
P2344
P5449
P2181
Atom HB3 of residue 60
P3159
Atom O of residue 25
P8295
P7983
P5701
P5223
P6526
Model 93
P7787
ListSingletonContainer500
P4725
Atom C of residue 65
P5873
Atom C of residue 23
P2144
Atom CD1 of residue 36
Atom HG2 of residue 11
P0
P5514
P2097
P5973
P3675
P12395
P6635
Atom CA of residue 32
P2592
P7642
P7796
P1936
P3013
P7075
P4792
P3519
P6596
P4754
P7150
Atom CB of residue 25
Atom O of residue 61
P2511
P7174
P129
P3646
P2798
P5607
P7337
P1532
P7954
P5477
P8196
P4731
P6929
P4609
P2593
P1380
GridCPF
P2479
P8499
Atom HD22 of residue 25
P5514
P1
P3019
P7243
P8551
P1435
P3525
P4928
Atom CA of residue 9
P2413
P2104
P7083
Atom CD of residue 18
Model 258
P5440
P2673
P3954
P2189
P3003
P3509
Atom CZ of residue 72
P4227
P6622
P3592
P8125
P4610
P76
P8048
P5657
Atom HG3 of residue 38
P7861
P5451
P4256
P7544
Atom CB of residue 52
P3591
P7272
P11755
P2445
P6127
Atom HB2 of residue 72
P2892
Atom N of residue 63
P13172
P4535
P1630
Atom HZ2 of residue 29
P4963
P7149
P6226
P3744
Atom HB3 of residue 43
P8114
P4963
P6118
P8198
P1431
P3215
P6320
P5635
P1381
P4325
Model 79
P8271
P8434
P4840
P2461
P10354
P8338
P6691
P1829
P2
P6129
P1490
P3234
P7403
P4716
P4792
VAL
P7425
P1919
P8296
P3030
P3455
P7788
P2294
P2145
P4056
P2558
P1807
P5515
P1898
P2098
P2345
P2182
P5974
P12397
P7364
Atom HZ3 of residue 6
P8998
P3042
P5225
P5125
P3548
P3362
P5839
P2512
P3160
P5702
Atom CD2 of residue 50
P7863
P4726
P7955
P5874
Atom C of residue 32
P1465
P1382
P5515
P7244
P3676
P2105
P6636
P2593
P7084
Atom HG3 of residue 11
P13270
P2479
P11756
P3014
P4793
P3520
P4755
P8552
P1533
P6255
P8522
P7175
P7797
Atom O of residue 36
P3647
P8371
P8126
P2799
P0
P1436
P4930
Atom O of residue 9
P4732
P7862
P7545
P4610
P2594
P5608
P6527
P3020
P3526
P5478
P2548
P5450
P2446
Atom HD21 of residue 60
Atom HB3 of residue 72
P7984
P2674
P3955
P13173
P4536
P198
P5262
P8199
P7150
P2190
P3004
Atom HB2 of residue 18
P7643
P3510
Atom HG of residue 43
Atom HG3 of residue 24
P3593
P4611
P7076
P1323
P6597
P7151
P8049
Atom O of residue 65
P5658
P4257
P3592
P6321
P7404
P1937
P1383
P72
P403
P6128
P12396
P6930
P5840
Atom O of residue 49
P2480
P8435
P7273
P2893
ListSingletonContainer121
P11066
P6692
P7338
P1631
P4964
P6130
P3745
P8115
P4228
P4964
P2414
P4102
P3216
P13271
P4326
P6623
P5441
P6119
P1808
Atom NE2 of residue 57
ILE
P1491
Atom N of residue 7
P8999
P1920
P5226
P3456
Model 284
P1432
P5452
P2512
P3235
P4717
P4793
P7426
Atom H of residue 50
P1899
P1384
P5127
P4057
P2559
MD 8
P5516
Atom HD2 of residue 38
Atom N of residue 32
P7365
P6227
P2480
P4841
P3043
P3549
P3363
P11067
P7789
P7
P5975
P8523
P7176
P2146
P5636
P8372
P3161
P8272
P3031
P10355
P4727
P4931
P5263
Restraint 132
MovedSingletonContainer9
P5516
P8337
P6528
P7956
P2549
P6256
P3677
Atom HD22 of residue 60
P6637
P2594
P7085
Atom CG of residue 52
P11757
P2462
P3015
P4794
P3521
P4756
P7245
Restraint 14
P2295
P7644
P1466
Atom O of residue 14
P3648
Atom CG of residue 49
P2800
P7077
P6598
P7152
P4733
Atom CB of residue 65
P2346
P2106
P7546
P1
Atom HG23 of residue 12
P4611
P2513
P2595
THR
P5703
P3021
P8553
P3527
P1830
P5451
P5875
P406
P7863
P6931
P2481
P7985
P2803
P3956
P4537
P7864
P7151
P3005
P3511
Atom CG2 of residue 12
P3594
P4612
LYS
P5659
P2191
P4258
P3593
Atom CG1 of residue 61
P5442
P2099
SingletonScore 0
P2183
Atom N of residue 58
P5841
Atom OD1 of residue 52
P7798
P8436
P8273
P7339
P4965
P2447
Atom HD3 of residue 38
Atom C of residue 3
Atom CD of residue 42
P3746
P4229
P6624
P8303
P5609
P1632
P5479
P4103
P6131
P3217
P13272
P4327
P2481
P8127
P5128
P1437
P5517
P8050
Linear1DFunction 28
P4842
P1921
P5227
P7790
P5453
Atom HG12 of residue 13
P3236
P4718
P1938
P1444
P4794
P9000
P10356
P1534
P6322
P8116
P7274
P4965
P5517
P6693
P4058
P2560
P13174
P2416
Atom HB of residue 17
P7366
P6228
P3044
P3550
P3457
P3364
P11068
P6129
Atom HB2 of residue 25
P3162
P6120
P8339
P0
P4728
P4932
P5264
P2513
Restraint 158
Atom N of residue 13
P2514
Atom N of residue 1
P7427
P3032
P5704
P1218
Atom CA of residue 63
P2296
P5452
P5876
P3678
P6638
P2595
P1467
P2147
Atom HG2 of residue 72
P5637
P7986
P2804
P3016
P4795
P3522
P4757
P2100
P2347
P2184
P7645
P7405
P3649
Atom HD11 of residue 43
P2801
P2463
P7078
P6599
P7153
P4734
P1492
P4612
P2596
P3022
P3528
P5976
P8524
P6932
P3957
Atom HA of residue 50
P1809
P7340
P7865
P1900
P6130
P7086
P3006
P3512
Atom CB of residue 14
P3595
P8304
P4613
P11759
P7957
P2550
P5660
P2052
P4259
P3594
P8128
P7246
P1438
P8051
P7547
P7177
P7799
P8437
P5443
P8274
ListSingletonContainer120
P6529
P13175
ListSingletonContainer10
P4966
P1831
P5454
P2103
Atom OD2 of residue 52
P3747
P1939
P4230
Atom HZ2 of residue 6
P6625
P5610
P1220
P6694
P4933
P5480
P471
P7152
Atom N of residue 39
P7864
P3218
P6323
P8117
P4328
P8373
P4966
P5129
P73
P1343
P6258
P8527
P5228
P11069
P4538
P8554
P1535
P5518
P5842
P3237
P6229
P4719
P5638
P4795
P10357
P8340
P7791
P2
P2192
P2514
Atom HG13 of residue 13
P1445
P2482
P3180
P7275
P2464
P4059
P2561
P199
Atom OG of residue 65
P6131
Atom N of residue 61
P7367
P7180
P2148
Atom HG3 of residue 72
P3045
P5518
P3551
P3365
Atom N of residue 76
P2448
Atom HG11 of residue 17
P6132
Atom HD12 of residue 43
Atom HG22 of residue 5
P3163
P6121
P3458
P6695
P1633
P4729
P12399
P13273
P4
P7428
P1922
P3033
P5705
P6530
P1345
P2348
P5877
P3679
P6639
P2596
P9001
P2805
P3017
P4796
P3523
P4758
P1810
P7866
P1901
P7087
P1493
P7406
P3650
P8374
P4843
P2802
P4735
P5453
P4613
GLN
P2597
P8129
P7987
P3023
Atom HB2 of residue 50
P3529
P2101
P5266
P2185
ILE
P7548
P7800
P8438
P3958
Atom CA of residue 76
P0
P3007
P3513
von Mises sufficient 5
P2515
P3596
P8305
P4614
P5611
P1221
P7958
P5481
P7153
P5977
P5661
P404
P4260
P1544
P7646
P3595
Atom CB of residue 58
P7079
P6600
P7154
P8052
P2053
P5229
Atom C of residue 63
P13176
P8555
P4967
P6933
P5843
P3748
P4231
P2482
P7341
P7247
P4936
P474
P2551
P7865
P1468
P3219
P6324
P8118
P4329
P7276
P4967
P5130
P2297
P5455
Atom C of residue 47
P4844
P11758
P4539
ASP
P2193
P3238
P4720
P2483
P4796
Atom CA of residue 35
P6122
P8341
Atom HA of residue 65
P13274
P6626
P3181
Atom OD1 of residue 58
P5444
P11070
P4060
P2562
P2449
P7368
Atom CA of residue 24
P6230
P1940
PairsRestraint 11
P7429
P8275
P3046
P3552
P3366
P1634
P2418
P1832
P12400
Atom OE1 of residue 57
P2
P6133
Atom H of residue 52
Atom HG21 of residue 12
P3164
P3459
P6696
P4730
P5454
P6257
Atom HA3 of residue 10
P7988
P10358
P6531
P1536
P5519
P3680
P6640
P2597
P9002
P2806
P3018
P4797
P3524
P7792
P4759
Atom C of residue 76
P2350
P2515
P7088
P3651
GaussianProcessInterpolation23
P8375
P7959
P4736
P5978
P6934
P7647
P4614
P5639
P2598
P5519
P7080
P6601
P3024
P7155
P3530
P7867
P7549
P1440
P2483
P5706
Atom O of residue 63
P3959
P4935
Atom HD3 of residue 19
P5878
Atom CA of residue 61
P1545
P3008
Atom O of residue 47
P3514
P3597
P1923
P8301
P4615
P7248
P2102
P7154
P5662
P7866
P4261
P1469
P7801
P3596
P1
P8130
P3060
P3034
P5131
P2298
P5456
P1494
P5612
P1439
P5482
P4968
P2450
P2186
Atom CA of residue 39
Atom CB of residue 61
P2149
P3749
P4232
P1811
P5265
P2552
P3220
P6325
P7407
Atom HB of residue 12
P4330
P6627
P11760
P11071
P2419
P6132
Model 171
Atom HD2 of residue 72
P2516
Atom C of residue 35
P8276
P4845
P7342
P4540
P1902
P8053
Atom N of residue 20
P6134
Atom HA of residue 52
P3239
P4721
Atom HD13 of residue 43
P4797
P7277
P180
P8342
P6697
P13178
P8556
P8528
Atom C of residue 24
P1441
P8439
P3182
P5445
P3571
P2465
P10359
P4061
P2563
P7369
Model 13
P0
P6231
Atom CB of residue 7
P8119
Atom CG2 of residue 3
P4968
P9003
P6123
P3047
P3553
P3367
Atom HB3 of residue 50
P2351
P12401
P3165
ListSingletonContainer501
P4731
P1537
P1833
P1913
P5844
P7182
P7408
P7430
P5230
P1440
P7868
P5520
P5455
P3681
P6641
P2598
P5640
P1346
P7989
P5707
P3019
P4798
P3525
P7793
P4760
P1903
P5879
P3652
P13275
Atom O of residue 1
P2484
P4737
P6259
P5979
P2194
Atom CG1 of residue 61
P6935
P7648
P7802
P4615
P1941
P2599
P2484
P8131
P5520
P7081
P6602
P3025
P7156
P3531
P5613
P2807
P6532
P3960
P7960
P2103
P5483
P8529
P3009
P3515
P2150
P3598
P8302
P4616
P3460
P1812
P7249
P8557
P1635
P5663
P4262
P7089
P1495
P3597
P6326
P11761
Atom HG of residue 50
Atom HB2 of residue 65
P2187
P6133
P2516
P8440
P7343
P8054
P5267
P472
P4969
P7867
P5457
P5845
P7550
P7409
P3750
P4233
Atom CB of residue 1
P8376
P7278
P8343
P4937
P2299
Atom CE3 of residue 28
Atom C of residue 61
P3221
Atom HE of residue 72
P4331
P6628
P5446
P2466
P7155
P1546
Atom HD22 of residue 43
P13276
P8120
P1347
P4969
P1924
P6124
P5923
P5231
P11072
P4541
P1441
P405
P3240
GLN
P4722
P4798
P3035
SER
P1
P3183
P10360
Atom CB of residue 63
P4062
P2580
Atom N of residue 21
P5521
P6135
P7370
P1470
ASP
Atom OD2 of residue 58
P3048
P3554
P1219
P3368
P7794
P6698
Atom H of residue 75
P1914
phys
Atom N of residue 35
P3166
P4846
P3061
P5132
P4732
P4939
P2553
Atom HB3 of residue 65
P6260
P5980
P2195
P7183
P2517
Atom H of residue 34
P1942
P2485
P7431
P8277
P9004
P5521
P2352
P3682
P6642
P2599
P1385
P3020
P4799
P6533
P3526
P4761
P13177
P7869
P7961
P5880
P6232
P3653
P7250
P1636
P4738
P2451
P7090
P7551
P4616
P5641
P2600
P3026
ASP
P3532
Atom CG2 of residue 61
Atom H of residue 47
P7803
P2808
P3961
P5268
Atom C of residue 74
Atom C of residue 39
P6134
P8530
P7868
P12402
P3010
P3516
P1316
P8377
P3599
P4617
P83
P5614
P5484
P5456
P5664
P4263
P3598
P7990
P11762
P5708
P1540
Atom CA of residue 26
P7156
P7649
P8441
P7082
Atom CG of residue 63
P6603
Atom HD11 of residue 50
P7157
P1813
P7344
P8558
P8055
P4970
P5846
P3751
P4234
P8278
P2467
P2564
P6936
P1547
GLU
P3222
P4332
Atom CG of residue 24
P7279
P4847
P8367
P5133
Atom CZ2 of residue 28
P6136
P1471
Atom CA of residue 52
P2518
P13277
P8121
Atom H of residue 58
P4970
P8132
P3036
P5232
P3461
P6699
P74
P4542
P2300
P7181
P3241
P4723
P1386
P4799
P5447
P6125
P4940
P6261
P2055
P2517
P2151
Atom O of residue 41
Atom HA of residue 34
GeneralizedGuinierPorodFunction 61
P2485
P3184
P9005
P1925
P4063
P1578
P201
P2104
Atom O of residue 39
P5458
P7371
P5642
P6629
P3049
P3555
P3369
P2349
P3167
P4733
P5522
P2554
Atom O of residue 74
P2188
P12403
P1498
Atom OE1 of residue 24
GLY
P0
P11073
P7795
P13179
Atom HG of residue 65
P5981
P3683
P6643
P2600
P6327
P10361
P1222
P8344
P3021
P4800
P3527
P4762
P6135
P2196
VAL
P6233
P3654
P2486
P5522
P7962
P4739
P2
P6262
P7091
P7552
P4617
P2601
ListSingletonContainer122
P2468
P3027
P7251
P3533
P1905
P1915
P7650
Atom CA of residue 73
P7432
P2809
P7083
P6604
P3962
P7158
Atom CA of residue 21
P7345
P1637
P5269
P3011
Atom HA2 of residue 47
P3517
P7410
P3600
P4618
P3062
P2565
Atom C of residue 26
P5457
P5881
P5665
P7869
P4264
P6937
P3599
P8368
P7991
P11763
Atom CD of residue 63
P7870
LEU
P7157
P8525
P2518
P8133
P4543
P8559
P1543
P4971
P2452
P2519
P3752
P4235
P5448
P8279
P6534
P1472
P7804
P2152
P3223
P6328
Atom C of residue 52
Atom HD23 of residue 43
P4333
P4848
P5709
P5134
P3462
P1814
P2301
P8378
P6630
P5615
P5485
P6137
P3242
P4724
P1943
Atom H of residue 6
P4800
P8443
Atom N of residue 73
P183
P8345
P6700
P1579
P5523
P8056
P2105
P5847
P7178
P1387
P3185
P3037
P7796
P4064
P13180
P4934
P202
P12404
P5459
P7372
Atom OD1 of residue 39
P9006
P3050
P3556
P10362
P1223
P3370
P2454
P2189
Atom CB of residue 39
Atom C of residue 54
P1499
P8122
P3168
P7280
P4971
P5523
P5234
P4734
P2555
P6263
P6234
P11074
P473
P3684
P1916
P6644
P2601
Atom C of residue 73
P13278
Atom OE2 of residue 24
P6126
P3022
P4801
P6535
P3528
P4763
P7411
P3655
P2486
P3063
Atom O of residue 26
P4740
P5458
P5882
P1548
Atom O of residue 26
P4618
Atom OE1 of residue 34
P2602
P1926
P7992
P11764
P3028
P3534
P2197
P7651
P7433
P8134
P2810
P7084
P6605
P3963
Atom O of residue 14
P7159
P5270
Atom H of residue 65
P2519
P3012
P3518
P5643
P8379
P3601
P4619
P7346
P5982
P5666
P4265
P6938
P3600
Atom N of residue 44
P1944
P2487
Atom OD2 of residue 39
P8369
P5710
P1638
P7871
P8526
P7092
P4544
P7963
Atom CA of residue 15
P4972
GaussianProcessInterpolationRestraint 33
Atom CD1 of residue 61
P5460
P3753
P4236
P1815
P7252
P1904
P8057
P5848
P7553
P7805
P3224
P6329
Atom O of residue 73
P4334
P5449
P2566
Atom HG1 of residue 12
P6631
P5616
P5486
P7158
P7870
Atom O of residue 54
1G6J_MODEL1.pdb
P2153
P3243
Atom O of residue 52
Atom HE22 of residue 40
P4725
P5644
Atom CG2 of residue 14
P8123
P1388
P4801
P4972
P4849
P130
P3463
P8346
P8560
P7179
P3186
P1
P2469
P11075
Atom CE of residue 63
P4065
P13181
P5524
P2453
Atom HA3 of residue 47
P7373
P13279
Atom CG of residue 58
P3051
P5136
P3557
P10363
P3371
P7797
P75
Atom CB of residue 74
P6136
P3169
P7281
P8280
P4735
P1538
P1549
P7412
P1927
P8363
P5524
Atom N of residue 31
P3685
P6645
P6138
P2602
P2520
P8442
P3023
P4802
P6536
P3529
P6701
P4764
P5271
P12405
P6235
P3656
P7434
P3064
P4741
P2302
P6264
P5883
P2198
Atom CE of residue 6
P4619
P2603
Restraint 74
P9007
P6127
P3038
P3029
P1580
P3535
P7872
P2106
P2190
P7093
Atom C of residue 34
Atom OE2 of residue 34
P5233
P135
P2811
P3964
Atom CD of residue 74
Atom CG of residue 39
P6137
P8393
Atom H of residue 61
P3013
P3519
P1945
P2488
P8380
P4620
P7993
P1224
Atom CB of residue 14
P1422
P3
P5983
P5667
P4266
Atom N of residue 48
P7554
P7806
P3601
Atom N of residue 26
P2487
Atom H of residue 39
P8135
P5617
P2
P4545
P1639
P7964
P5487
P4973
P7159
P1917
P7652
P1496
P3754
Atom H of residue 14
P4237
P3602
P4850
P5711
P7085
P6606
P7160
P7253
P0
P8058
P2556
P5459
P3225
Model 420
P4335
Atom CB of residue 24
P8364
Atom NZ of residue 63
P2567
P6939
von Mises sufficient 6
Atom CB of residue 52
P7347
P7871
P3244
P4726
P8124
P1390
P4802
P7282
P4973
P8281
P11765
P8561
Atom CB of residue 34
P7413
P3187
P4066
P13182
Atom HD2 of residue 37
GLN
P2520
P7374
Atom HD21 of residue 25
P2154
P6330
P1334
Atom O of residue 35
P3052
P3558
P1225
P2679
P3372
P412
P6632
P3170
P5450
P11076
P4736
P1539
P2303
P6265
Atom OD1 of residue 39
P8394
Atom O of residue 45
P5645
P8444
P0
P6128
P8348
P1423
P2107
GaussianProcessInterpolation65
P3686
P6646
P6139
P2603
P5849
Atom HA of residue 68
P2470
P3024
P3530
P6702
P4765
P1816
P6138
P12406
P1550
P7094
P6236
P3657
P2546
P7994
P3065
P10364
P3464
P5525
P4742
P2191
P5984
P4620
P13280
P2604
Atom CG of residue 34
P9008
P5235
P5135
P7798
P3030
P3536
Atom HD3 of residue 37
P203
P5460
P5461
Atom HA2 of residue 35
P2488
P7435
P0
P8136
P3965
P1582
P7965
P1918
P3014
P7653
P3520
Atom HB2 of residue 1
P2521
Atom HD21 of residue 43
P1928
P4621
P5525
P7086
P6537
P6607
Atom CB of residue 61
P7161
P7254
Atom NE of residue 74
P5668
P4267
P7555
P1497
P3602
P11766
P1404
P5884
P6940
LYS
Atom CB of residue 39
P7873
P4974
P7160
P7872
GLY
P7807
P3755
P4238
P3603
P3039
P2680
P3
P2557
P258
P407
P5850
P3226
P4336
P5618
P13183
P8562
P5272
P5488
P6331
P1946
P7348
P4546
P2199
P0
P3245
P4727
P5646
P13281
P6633
P11077
Atom O of residue 28
P2155
P8445
P3188
P5712
P4067
P8059
P2455
P6140
P7375
Atom CG of residue 34
Atom HD3 of residue 72
Atom O of residue 4
P2489
Atom CD of residue 34
P7283
P3053
P2471
P3559
P1226
P3373
P6703
P1499
Atom HB2 of residue 68
Atom HD22 of residue 25
Atom CB of residue 45
P3171
P5451
P4851
P10365
P1542
P4737
P5461
P8395
P8125
P4974
P9009
P6129
P5236
P1817
P1642
Atom N of residue 38
P3687
P6647
P2604
P8282
P1930
P3025
P3531
P4766
Atom HA of residue 61
P2521
P3658
P1391
LYS
P3066
P5137
P6538
P5526
P2108
P4743
P2192
P6139
Model 327
P4621
ILE
Atom HA3 of residue 35
P2605
P2568
P8306
P7995
P7799
P1405
ListSingletonContainer502
P3031
Atom HD13 of residue 23
P3537
P5885
P5462
P1551
Atom HB3 of residue 28
P7436
Atom H of residue 63
P3966
P5273
P5985
P3015
P7654
P7808
P3521
Atom CG of residue 52
P4622
P5526
P8347
P7087
P6608
P7162
P235
Atom HD22 of residue 15
P5669
P12407
P4268
P7095
P3603
P6237
ListSingletonContainer402
P11767
P5619
P7966
P5489
P2304
P6266
P1919
P6941
P3040
P3465
Linear1DFunction 21
P7349
P7255
P4975
P3756
Atom CD2 of residue 4
P4239
P2489
Atom CG of residue 39
P3604
P2681
Atom CA of residue 54
P5851
P3227
P7414
P4337
P8283
P5713
P7874
P8060
P0
P7556
P2
P7284
P1929
P4547
Atom HA of residue 28
P3246
P4728
P2522
P13282
P6634
P5452
P4852
P8137
P8563
P1583
Atom CZ of residue 74
P7161
Atom OD2 of residue 39
P7873
P2200
Atom HB of residue 61
Atom HB1 of residue 28
P3
P8126
P2490
P8446
P3189
P4975
P6130
P11078
P4068
P2558
P1500
P7376
Atom HB2 of residue 42
Atom CB of residue 18
Linear1DFunction 41
P3054
P3560
P3374
P3
P3172
P5138
P10366
P1643
P4738
P5527
P6141
P0
Atom OD1 of residue 52
P7415
Atom CA of residue 23
P1947
P2
P8307
P5237
P2
P7800
P6704
Atom N of residue 24
Atom CB of residue 22
P475
P3688
P6648
P2605
P3026
Atom HA of residue 63
P3532
P4767
P1
P5986
Model 425
Atom CD of residue 34
P6332
P3659
P9010
P3067
P5527
P1227
P13184
P4744
P1552
P4622
Atom C of residue 5
P2606
P1392
P2569
P2472
P3032
P1424
P3538
P7967
P2305
P6267
P5886
P8397
ListSingletonContainer197
P8349
P3967
P5274
P2193
P7096
P3016
P3522
P2156
Atom N of residue 29
P5647
P4623
P1406
P1818
P5670
P12408
P4269
P7809
P3604
P6238
Atom NH1 of residue 42
P3466
P7875
P2109
P259
P2456
Atom H of residue 39
P7557
P5620
P5490
P4976
GeneralizedGuinierPorodFunction 22
P6140
P2522
Atom HB3 of residue 42
P2523
P3757
P4240
P7437
P3076
P8138
P7996
P2128
P2682
P1584
Atom NH1 of residue 74
P7162
P1920
Atom N of residue 29
P7655
P3228
GLY
P4338
P8284
P3041
P5714
P7088
P6539
P6609
P7163
P7350
P8061
P4
Atom N of residue 91
Atom HB3 of residue 68
P1
P6333
Atom CG of residue 18
P3180
P1478
P11769
P4548
P2341
P5462
P5463
P6942
P3247
P4729
P7285
P4853
P8564
P6142
P7416
P1948
P8127
P8447
P3190
Atom O of residue 34
P4976
P6705
P4069
P13185
Atom HD12 of residue 43
Atom HD11 of residue 23
P2559
Atom HG12 of residue 61
P5852
P7377
Atom HA of residue 45
P5453
P6131
P3055
ListSingletonContainer167
P3561
P3375
P1425
P465
P7874
Atom OE1 of residue 34
P2490
Atom CB of residue 14
P3173
P9011
P5139
P4739
P6635
P5238
Atom HD23 of residue 15
P478
P6268
P3689
P6649
P2606
Atom OD2 of residue 52
P8350
P3027
P3533
P4768
P5528
P2457
P2201
P5464
P3660
P13283
P2491
P3068
P1228
P6540
P11079
Atom ND1 of residue 68
P7801
P4745
Atom HD13 of residue 30
P5987
P12409
P4623
P2607
P2570
P10367
Atom HD21 of residue 43
P3033
P3539
P5
P2194
P6239
P3
P2524
P6149
P5528
P89
P3968
P7968
SER
P1501
P2523
P7097
P3017
P3523
ILE
P4624
P7256
P2110
P2306
P5671
P4270
P7656
P2157
P123
P101
P7089
P6610
P7164
P7876
P7558
P2
P5648
P1407
P4549
P2342
P236
P4977
P5463
P5887
Atom HA of residue 39
P6141
P1921
P6943
Atom HD1 of residue 68
P3758
Atom H of residue 3
P4241
P7438
P8308
P7997
P2473
P2683
P1640
P5276
P7163
P8396
P1553
Atom HG2 of residue 42
P3076
P3229
P4339
P8448
P1819
P268
P5465
P5853
P6334
Atom HB2 of residue 45
P3181
P5454
P1931
P3467
P1585
P7875
P7810
P3248
LYS
P4730
P1479
P4854
P1
ALA
Atom N of residue 76
P1389
P6636
P3191
ListSingletonContainer274
P5239
P5621
P4070
P13186
P5491
P2560
P6143
P7378
P7417
P2491
P3056
P5715
P3562
P3376
Atom HB2 of residue 63
P6706
Atom HD12 of residue 23
P5529
P8062
P12411
MolecularDynamicsMover4
P13284
P2492
P3174
P5140
P7802
P4740
Atom HG13 of residue 61
Atom OG1 of residue 14
Atom CB of residue 34
P8285
P9012
P11768
P3042
P10368
P3
P8565
P3690
P2202
P2524
P6650
P2607
P8128
P6150
P7286
P4977
P5529
P8351
P3028
P3534
P4769
P6150
P5649
P3661
P3069
P6541
P11080
Atom HD22 of residue 43
P4746
Atom H of residue 52
P4624
Atom H of residue 58
P2608
Atom H of residue 2
P2571
P8309
P6132
P3034
P3540
P7877
P6269
P1502
P8139
P3969
P5464
P5888
P6142
P3018
P3524
Atom C of residue 23
P4625
P7998
P81
Restraint 109
P5672
Atom CA of residue 91
P4271
P7657
Atom HD2 of residue 68
P6240
P1702
P7439
P1229
P7090
P6611
P1408
ListSingletonContainer513
P7165
P7257
P2458
Atom N of residue 12
P7351
P4550
P2307
P4978
Atom CG of residue 74
P5988
P8398
P6944
Atom CA of residue 29
P3759
P1949
P4242
P2492
P4855
P2684
P1426
P7098
P2158
P0
P3230
Atom HE2 of residue 11
GLY
P4340
P7969
Atom HB2 of residue 39
P1554
P3182
P8140
P5716
Atom HB3 of residue 63
P1581
P1641
P8063
P7876
P7559
P7811
Atom HG3 of residue 42
P3249
P4731
Atom O of residue 23
P5455
P5141
P2195
Atom HG21 of residue 61
Atom CB of residue 28
P6637
P0
P3192
P8286
P5622
P3468
P4071
P7258
P5492
P2561
P1358
P7164
P7379
Atom O of residue 34
P1
P8129
Atom CB of residue 59
P6151
P4978
P3057
P2474
P3563
P3377
Atom O of residue 8
P2111
P5275
P6151
P6335
P3175
P11770
P11081
P4741
P5530
P476
Atom HA of residue 52
Atom C of residue 12
Atom HA of residue 58
P10369
P7803
P8566
P6270
P3691
P1922
P6651
P2608
P7287
P8352
P3029
P3535
P4770
P13188
P2343
P5854
P3662
P8449
P3070
P5530
P1820
P4747
P6144
Atom CG of residue 45
P7418
P4625
P2525
P2572
P8310
P6133
P1230
P6707
P98
P3035
P1427
P3541
Atom CB of residue 38
P12410
Atom O of residue 91
Atom O of residue 59
P13285
P1480
P1932
P3970
P1443
P7878
P5889
P8399
P3019
P3525
P1703
P1950
P9013
P4626
P3043
P69
P5240
P5673
P4272
P7099
Atom HD2 of residue 42
P6241
P3
P6542
P1359
P2308
P466
Atom HB3 of residue 39
P6143
P5466
Atom C of residue 29
P8141
P7999
P4551
P4979
P5989
P7877
P2203
P5855
P7658
P7560
P7812
P2159
P8502
P3760
P4243
P2493
P1
P7440
P2475
P2685
P7352
Covariance1DFunction 64
P3
P3231
P126
P5650
P4341
P5623
ListSingletonContainer574
P7970
P5493
Atom CG of residue 38
P5465
P7165
Atom CG of residue 59
P3183
P5717
P7091
P6612
P7166
P1445
P8064
Atom CB of residue 8
P2196
P1503
P3250
P6336
P4732
P7288
P11771
Atom NE2 of residue 68
P2344
P2459
Atom CB of residue 59
P6945
P13286
Atom CA of residue 22
P8450
P3193
P3469
ListSingletonContainer319
P6544
P4072
P1409
Atom HG of residue 43
P2112
P5277
P2562
Atom CB of residue 52
VAL
Atom H of residue 28
P7380
P8130
P4979
P3058
P3564
P8353
P3378
P8567
P2526
P3176
P1933
P7353
P4742
P2525
P1923
P1555
P6152
Atom CZ of residue 45
Atom HE3 of residue 11
ListSingletonContainer24
P6134
P5241
P1231
P3692
Atom CB of residue 91
P6652
P1315
P8503
P6638
P5456
P8143
P3030
P11082
P3536
P4771
P1821
Atom HD1 of residue 68
P136
Atom HE1 of residue 68
P3663
P8287
P3071
P4748
P1356
P6145
P7419
P4626
P2494
Atom HD2 of residue 33
P1481
P2573
P6152
P4856
P6708
P3036
P7259
P3542
P6144
P5467
P1951
P8000
P3044
P5142
P10370
P3971
MD 10
P5531
P5466
P5990
P8400
P2204
P3020
P7659
P3526
P9014
P4627
P7804
P7167
P1428
Atom CG of residue 52
P5674
P4273
P7100
Atom H of residue 45
Atom CA of residue 76
Atom CB of residue 23
P13287
Atom C of residue 12
P184
P2476
P13187
P4
P1446
P7971
Atom HZ of residue 4
P12412
Atom HD2 of residue 4
P5651
P8312
P5531
P7092
Atom HG2 of residue 63
P6613
Atom ND2 of residue 25
Atom HE1 of residue 68
P4980
P6271
P1504
Atom HG22 of residue 5
P5856
P7561
P3761
P4244
P2493
P7441
P2686
P4552
Atom CD1 of residue 38
P1357
P2460
P5890
P7878
Atom HG22 of residue 61
P6946
P3232
Atom CD1 of residue 59
P4342
Atom HE2 of residue 33
P7879
P5278
Atom CA of residue 26
P7166
P7813
P6242
P3184
P8288
P3
P2526
P3251
P4733
Model 235
Atom HG3 of residue 24
P11772
P5624
P5494
P1556
Model 376
Atom HB2 of residue 52
P2527
Atom HB2 of residue 58
P8451
P3194
P6545
P4073
P2563
Atom CG of residue 59
P7381
P6639
P4858
P3565
P3379
P11083
P1410
P7260
Atom HA of residue 25
P2345
P1704
P3177
P8142
P3572
ListSingletonContainer268
P5718
P5143
P4743
P8065
P2309
P12413
P6146
Model 353
P1326
Atom HB3 of residue 49
P7420
P13288
P6153
P5242
P6709
P8568
P2197
P3693
P8240
P6653
Atom HB3 of residue 8
P8504
P5457
P10371
P3031
P3537
P4772
P7354
P5468
P2162
P6153
Atom HD3 of residue 29
P3664
P8131
P4980
P9015
P6135
P3072
P2113
P4749
P6337
P4627
Atom CG1 of residue 23
P2574
P3037
P3543
P237
Atom N of residue 40
Atom HG23 of residue 61
P1934
Atom HG3 of residue 63
P3972
ModelScoringFunction16
P5532
Atom OD1 of residue 52
P6272
P6145
P8401
P2205
P3021
P3527
Atom C of residue 76
P2494
P2495
P4628
P8001
P4595
P3470
P7805
P13189
P7168
P1429
P1362
P5891
P5675
P1
P4274
Atom HG2 of residue 49
ASN
P3045
P8354
Atom N of residue 69
P5991
P1924
P7660
P7814
Atom NZ of residue 29
Atom HB3 of residue 52
P7289
Restraint 93
P5532
P7093
P6614
P7261
GaussianProcessInterpolation48
P477
P4981
P1505
P3762
P1952
P4245
P1482
P5625
P2687
P4553
P5495
P2527
P6947
Atom HD3 of residue 42
P3233
P5652
Atom HB3 of residue 58
P4343
Atom HB3 of residue 42
P11773
P1252
P7880
P5279
P7101
P6243
P3185
P8289
P7972
ScoreState 33
P3252
P6338
P4734
P1705
Atom CD2 of residue 59
P5719
P8066
P2310
P7167
P7562
Atom H of residue 66
P13289
P7442
P3195
P8311
P4074
Atom CA of residue 2
P2580
P2461
P8241
P7382
Atom HB3 of residue 1
P6640
P5458
P4859
P8144
P3566
P3380
P7355
GLN
P7879
P5469
P1557
P5857
P6154
ListSingletonContainer400
P8132
P3178
P4981
P6136
P2477
P5144
P11084
Atom HB2 of residue 25
P4744
P2114
P1363
P6
P5467
P2198
P467
P172
P8569
P2346
P3694
P6654
P2163
P8453
P6154
P10372
P8355
P3032
P6547
P3538
P4773
P5533
P6273
P8402
Atom CD1 of residue 59
P3
P6147
P7421
Atom O of residue 76
P3665
Atom CE2 of residue 59
P3073
P5244
P3471
P7806
P6710
P13190
P4750
Atom HD22 of residue 25
P4628
P2575
P1241
P1411
P3038
P3544
P238
P5992
Atom H of residue 29
P5653
Atom HG3 of residue 42
P9016
P5533
P3973
Atom HD11 of residue 61
P3022
P3528
Atom HG3 of residue 49
P13290
P4629
P1442
P5892
P5676
Atom C of residue 91
P1925
P4275
Atom HE of residue 42
P8146
P11774
P1430
P7881
P7102
P5859
P8505
GLN
P2528
P2496
P1483
Atom CA of residue 25
P7290
P186
P7356
SingletonScore 17
Atom HD2 of residue 11
P4982
P7815
P6244
Atom N of residue 53
Atom HE3 of residue 29
P3763
P1706
P4246
P2688
P4554
P2564
P7168
P2206
P7563
Atom HA of residue 66
P3234
P4344
P1935
P5626
P7094
P5280
P5496
P137
P6146
Atom CE1 of residue 59
LEU
Atom CG1 of residue 3
P3186
P2495
P8002
P3573
P1360
P5468
P7661
P3253
P6339
Atom H of residue 33
P4735
P8313
P5720
P6615
P7169
P8067
P1506
P7443
P3196
P3046
P4075
P7973
Atom HA of residue 68
Atom CA of residue 52
P6948
P7383
P4
P3567
P1232
P3381
ListSingletonContainer503
P7880
ListSingletonContainer589
P1560
P6148
P7422
P1953
P8133
Atom HB3 of residue 33
P3179
P4982
P6711
P4745
P2347
Atom CA of residue 40
P12414
P6137
P55
P1412
P3695
P6655
P8290
P9017
P8356
P3033
Atom HD2 of residue 63
P3539
P4774
Atom OD1 of residue 25
P1361
Atom N of residue 26
P3666
P6641
P4861
P3074
P13191
P7262
P4751
P8238
P4629
Atom CZ of residue 59
P2576
P6155
P2478
P5146
P3039
P3545
P5534
P2462
P2528
P8506
Atom HA2 of residue 76
P5459
P3472
P11085
P7807
P3974
P8570
P6274
P5993
P3023
Atom CA of residue 69
P3529
Atom HD2 of residue 42
P4630
P10373
P2565
P5677
P2207
P4276
P6155
Atom N of residue 59
P2497
P2497
P8452
P5534
P1
P7095
P6546
PairScore 5
P5281
Atom HD12 of residue 61
P7103
P4983
P5469
P2609
P12415
P7662
Atom HA of residue 33
P3764
P13291
Atom HD2 of residue 59
P4247
P1936
P8314
P2689
P6616
P7170
P7882
P2115
P2201
P1507
P7564
Restraint 29
P3235
P4345
P8145
P5243
P4555
P7974
P2311
P5893
P6147
P8403
P6949
Atom HD2 of residue 11
P2160
P6245
GLY
P3187
P7444
P8003
P1233
P7
P7169
P7881
P5470
P8239
Atom C of residue 69
P3254
Atom HG2 of residue 29
P4736
P5654
Atom HB3 of residue 24
Atom C of residue 52
Atom CD of residue 16
P2529
P3197
P4076
P1431
P7357
Atom HG2 of residue 18
Atom CD1 of residue 3
P1322
P1926
P1561
P6149
P7384
P7816
P1707
P1954
P8291
P3568
P3382
Atom HD3 of residue 63
P1366
P125
P6642
P5460
P7291
P5627
P4746
P5497
P7
P468
Atom HE21 of residue 49
P6340
P7423
P2496
P6156
P5721
P6712
P5535
P8068
P0
P3696
Model 431
P6656
Atom CD of residue 29
Atom C of residue 53
Atom HA3 of residue 76
P1
P1484
P3574
P11775
P3034
P3540
P7808
P4775
P206
P1646
P6275
P5471
Atom CB of residue 69
P5655
P3667
P1570
P9018
P3075
P10374
P1413
P13192
P7263
P8571
Atom CB of residue 37
P4752
P2609
P5860
P6156
P4630
P8134
P1318
P2577
P4983
P5535
P173
P3040
P3546
P2116
Atom CA of residue 7
P3047
P11086
P3975
P2463
P2610
P8404
P12416
P3024
P3530
P13545
P1
P8454
P7292
P6138
P4631
P8358
P78
P7883
P2566
P5678
Atom C of residue 40
P4277
Atom HB of residue 66
P5245
Atom CA of residue 5
P5894
P6148
P128
Atom HE2 of residue 59
TYR
P4860
P8004
ListSingletonContainer124
P2348
Atom C of residue 4
P1367
P4984
P2202
P7663
P2161
P3765
P1955
P4248
P8315
P5145
P2690
P7096
P6617
P7171
P2312
P5470
P2529
P8507
P3236
Atom OH of residue 59
P4346
P1485
P2479
P6543
P4556
Atom HG3 of residue 18
P7975
P5994
ScoreState 41
P1927
P6950
Atom C of residue 5
P6246
P3188
P5461
P13193
P7264
Atom CE2 of residue 59
P7104
P3255
P4737
P11776
ModelScoringFunction13
P1432
P138
Atom O of residue 69
Atom HE22 of residue 49
P6341
P5656
P1708
P7445
P3198
P5722
P3473
P4077
P7358
P8069
P7882
Atom HD13 of residue 61
P7565
P7385
P7817
Atom OE1 of residue 16
P13546
P7293
P1937
P3575
P3569
P3383
P8572
P2208
P5472
P2498
P6643
P5628
P4747
P5282
P5498
P2610
P2464
P7170
Atom CE of residue 29
Atom O of residue 53
P8135
P2024
P4984
Atom CG2 of residue 44
P1647
P3697
P6657
ListSingletonContainer453
P3035
P11087
P3541
P4776
P5536
P1508
P8508
P2530
P3668
P8455
P10375
P1234
P7809
P4753
Atom O of residue 40
P5861
Atom HG1 of residue 66
P4631
Atom HD3 of residue 42
P2578
P8292
P3048
P3041
P3547
P1364
P6157
P5536
P3976
P1414
P2675
P8405
P3025
P3531
P7424
P6139
P4632
P5246
P2
P6713
P2117
P2567
P5679
P4278
Atom H of residue 59
P4857
P2812
P2480
P1711
P7884
P2349
P7976
P5895
P6157
P9019
P5147
P479
P4985
Atom N of residue 120
P12417
Atom CZ of residue 59
P7105
P3766
P4249
P8316
P6276
Atom HE1 of residue 1
P3237
Atom CE of residue 33
P1804
P4347
P8005
P7359
P7265
P4557
Atom CA of residue 28
P5283
P1365
P5995
P7883
Model 125
P7566
P7818
P3189
P1235
P8357
Atom HE2 of residue 63
P13194
Atom CD1 of residue 44
P3256
P4738
P8293
P11777
P5629
P3474
ListSingletonContainer454
P0
Covariance1DFunction 31
P5499
P1353
P7171
P1928
P1558
P7664
P7446
P3199
P185
P5723
P7097
P3282
P4078
P6618
P0
P7172
P8070
Atom N of residue 41
P2209
P7386
P13547
P2499
P1486
Atom HE of residue 42
P8147
P3576
P3570
P3384
P5471
P2530
P6951
P6247
P2531
P2025
P4748
P2675
P5473
Atom CA of residue 59
P8136
P2498
P4985
Multivariate Normal distribution 16
P3698
P1509
P6658
Atom C of residue 42
Atom H of residue 57
P3036
P1324
P3542
P4777
P2199
P2676
P469
Atom HD3 of residue 42
P8509
Atom H of residue 76
P1709
P3669
P1956
P8456
P6140
P2481
P207
P1354
P4754
Covariance1DFunction 74
P1
P4632
P6644
P2579
P1938
P11088
P1415
P3042
P3548
Atom CD1 of residue 4
Atom CA of residue 2
P6342
Atom HE22 of residue 2
P1571
P6158
P5148
P3977
Atom C of residue 28
P2067
VAL
P3026
P3532
P7425
P8317
P4633
P3049
ListSingletonContainer246
P5247
P1712
P6714
P1433
P6277
P5680
P4279
P6158
P5657
P5462
P8006
P2813
P10376
P7266
P1
P5537
P1368
P5996
P12418
Atom N of residue 62
P9020
P7810
Atom HG22 of residue 55
P7977
P2118
P482
P4986
P2677
P470
P7106
P3767
Atom HB3 of residue 59
P4250
ListSingletonContainer320
P79
P8573
P5896
Atom CB of residue 40
P8407
LEU
P7665
P3238
GeneralizedGuinierPorodFunction 17
P4348
P5537
P8359
P7098
P6619
P7173
GLN
P5284
P1648
P7567
Atom H of residue 53
Atom NZ of residue 33
P3190
P7294
P8148
P4596
P3475
P1236
P7884
P2531
P6952
Atom CA of residue 42
P3257
P4739
P8294
Covariance1DFunction 57
P7360
Atom H of residue 44
P7885
P1355
P2676
P7172
P1929
P7819
P6343
P2611
P3200
P3283
P4079
P4558
P1369
P7387
Atom HA of residue 57
Atom O of residue 18
P0
P1487
P3577
P5630
P3385
P13195
Atom N of residue 56
P1435
P2350
P5500
P5472
Atom HE of residue 42
P1559
Atom CD2 of residue 69
Atom HG3 of residue 1
P6248
Atom C of residue 59
P4749
P2465
Atom HG21 of residue 66
P6645
P1939
P11779
P11089
P3699
P6659
P1710
P7447
DihedralSingletonScore10
P5724
P3037
Atom HE3 of residue 63
P3543
P4778
Atom O of residue 28
P8071
P2200
P5858
P7426
P3670
P8457
P5149
P6715
P210
P4755
P2677
P6278
P6159
P4633
P2532
P1572
Atom HG2 of residue 42
P5463
P10377
P3043
P3549
P1370
P2068
P12419
GLN
P0
P13548
P8137
P2
P4986
P9021
ListSingletonContainer25
P6141
P3978
P139
P1649
P2210
P2
P5474
P3027
P3533
Atom CE1 of residue 59
P2500
P6159
P4634
P5248
P8574
P1356
P5897
P5681
Atom CG of residue 40
P4280
P8007
P2814
P8360
P5538
P2119
Atom HA2 of residue 53
P1957
P2026
P7295
P7811
P7267
P4987
P2678
P1510
P8510
P3768
P4251
P8149
P7361
P5997
P7666
P7820
P3239
P4349
P2499
P2612
P5538
P7099
P6620
P7174
ClosePairContainer
Atom O of residue 15
P3191
P5631
P13196
P1329
P5501
P5473
Atom CD2 of residue 59
P6953
Atom CG of residue 69
P3258
P4740
P5658
Atom O of residue 59
P3050
P1416
P7886
Atom CG1 of residue 5
P2466
P7107
P6344
P6249
P1488
P3201
P3476
P1713
P3284
P4080
LEU
P4559
P2351
P7978
P1371
P1930
P7388
P8318
P3578
P5725
P3386
Atom HG12 of residue 44
P8072
P5286
P8406
P7568
Atom CB of residue 18
P8458
P1237
P4750
Atom CA of residue 120
P2532
P2533
P1573
P6646
P5464
P7173
P7885
P3700
P6660
P5340
Atom HG22 of residue 66
P13549
P8138
P7448
P4987
P6142
P2482
P3038
P11090
P3544
P4779
P2211
P3671
P2501
P2
P8295
P5249
P5150
P1436
P4756
P2678
P4634
P1783
P4597
P10378
P2
P3044
Atom N of residue 28
P3550
P5539
P1372
Atom HB2 of residue 6
Atom HD23 of residue 15
P7427
Model 209
P2500
P2613
P174
P7812
P6716
P3979
P1357
P12420
P1511
P5475
P3028
P3534
P8511
P7296
P1940
P4635
P11778
P8575
P6279
P5998
P5682
P4281
GaussianProcessInterpolation5
P2027
P9022
P2815
P5539
P8361
Atom HZ1 of residue 63
Atom CA of residue 41
P480
P1650
Atom HH21 of residue 42
P6160
P4988
P5898
GridCPF
P3769
P1711
P4252
P8319
P7887
P2069
Atom HD3 of residue 19
P7108
Atom CD1 of residue 69
P3240
P6
P4350
P7362
P1
Atom CA of residue 62
P7821
P6160
P3192
Atom CG2 of residue 13
P8008
P1417
Atom HG13 of residue 44
P1358
P2467
P7569
P3259
Atom CB of residue 15
P4741
P5632
P1714
P5502
P2533
Atom HA of residue 39
Atom HB2 of residue 57
P1574
P1958
P3202
P2483
P3285
P4081
P7268
P4560
P7979
P5474
P7174
P8408
P5341
P7667
P7389
P5659
ASN
GeneralizedGuinierPorodFunction 2
P8151
P3579
P30
P5726
P7100
P3387
P6621
ListSingletonContainer504
P8073
Atom C of residue 120
P6250
P7449
P8296
P4751
P2120
P1373
Atom N of residue 20
P6954
ListSingletonContainer26
P8362
Atom CD of residue 40
P7886
P3701
P6661
P6345
P7428
P8139
P4988
P3051
P5151
P5
P3039
P3545
P6717
P4780
P208
P5476
P3672
P1784
P7297
P6143
P7177
P8576
ALA
P4757
P6280
Atom HB3 of residue 39
P1
P4635
P9023
Atom HZ2 of residue 63
P3045
P3551
P5285
P2212
P1931
Atom HH22 of residue 42
SER
Atom CA of residue 53
Atom C of residue 25
P2502
P6647
P2581
P3
P6161
P11780
P3980
P1437
P1359
P12421
P3029
P3535
Atom HB3 of residue 57
P2534
P1712
P1489
P5465
P4636
P3521
P5540
Atom C of residue 41
P1374
P2468
P5683
P4282
P13550
P2816
P1238
P8365
P11091
P7813
P2352
P140
P5999
P1512
P6161
P1575
P1959
P8459
P8009
P10379
P0
Atom HG1 of residue 55
P2314
Atom HB3 of residue 41
P4989
P3770
P4253
P8320
ListSingletonContainer352
P5540
GaussianProcessInterpolation41
P6622
Atom C of residue 62
P7109
Atom HG23 of residue 66
Atom SD of residue 1
P3241
P4351
P2501
Atom CD1 of residue 13
P4598
P7980
P2070
P5475
P8409
P7668
P8512
P5660
P3193
P1941
P2484
P5250
P7101
P7888
Atom O of residue 120
P1651
P7570
P3260
P4742
Atom C of residue 59
P5899
P6955
P3203
P3286
P4082
P7634
P7269
P4561
P7175
Atom OE1 of residue 40
P7887
P7390
P6346
P2028
P3580
P3388
Atom HG3 of residue 41
P2121
P1360
SER
P2614
P6251
Atom CD of residue 51
P13551
P7363
P4752
P7822
P5466
P8150
P3052
P1418
ILE
P1375
P3702
P6662
Atom CA of residue 65
P6648
P7450
P11781
P5633
P3040
P3546
P4781
P2353
P5503
P2534
Atom N of residue 40
P1
P7429
P3673
Atom CB of residue 59
P8460
P5727
P6718
P5541
P8074
Atom O of residue 41
P5287
P4758
P1932
P8513
P4636
P8140
P7814
P3046
P7178
P1438
P8577
P3552
P5477
Atom N of residue 67
Atom CE of residue 1
Atom H of residue 4
P2582
P8303
P9024
P10380
P3981
Atom CG2 of residue 61
MovedSingletonContainer11
P3030
P5342
P3536
Atom O of residue 31
Atom OE1 of residue 51
P1960
Atom O of residue 25
P4989
P4637
ListSingletonContainer125
P5541
P5251
P1715
P5684
P2213
Atom O of residue 62
P4283
Atom HG of residue 57
Atom N of residue 54
P1576
P2503
P2817
P4599
P3477
P11092
P1420
P2315
P1490
P1942
P6144
P8010
P175
P7889
P4990
P6162
P3771
P4254
P6623
P1376
P2614
P5900
P12422
P1513
P3242
P4352
P5152
P1239
P7636
P80
P7270
P1652
P6281
GLU
P8410
P7669
P2535
P5661
P3194
P2029
P8305
P7102
P2197
Atom CG1 of residue 120
P5476
P0
P3261
P4743
P1785
P6162
P8364
Atom HA of residue 44
P7981
P6000
P6956
Atom CA of residue 54
P3204
P8322
P5728
P3287
P4083
P4562
Atom HE21 of residue 41
P1361
P7110
P5343
P7391
P3581
P3389
Atom HZ3 of residue 63
P2615
Atom CA of residue 6
P13552
P2502
Atom CG of residue 18
P7298
P8153
P3478
P7364
P4753
P8075
P5288
P481
P2469
P7888
Atom C of residue 65
P7571
P7823
P8141
P1716
ModelScoringFunction14
Atom C of residue 5
P3703
P5478
Atom HH11 of residue 42
P6663
P2
P1713
Atom CG of residue 59
P6649
P7451
P11782
P5634
P3041
P3547
P4782
P2354
P5504
P2071
P7176
Atom CB of residue 31
Atom OE2 of residue 51
P3674
P8461
P4990
P3053
P4759
P6282
P8514
P6252
P4637
ListSingletonContainer321
P11093
P3047
P3553
P5542
ScoreState 16
P1362
Atom H of residue 69
P2583
P5153
P10381
P7815
P3982
P2214
P3031
LEU
P3537
P6347
P2504
P7299
P4638
P2485
P5252
P8578
P2122
P5685
P4284
P1786
P2818
P5542
P4600
P1240
Atom N of residue 64
Multivariate Normal distribution 33
P2535
Atom HH21 of residue 72
P7430
P5662
Atom CD of residue 18
P6145
P6719
P1443
P4991
Atom CG2 of residue 120
Atom CB of residue 62
P1514
GLN
P3772
P4255
P6163
P8154
P7890
P7982
P2615
P5901
P12423
Atom C of residue 6
P3243
Atom C of residue 54
Atom HG2 of residue 24
P4353
P9025
P7637
P2198
Atom OG1 of residue 14
P209
P8203
Atom NE2 of residue 40
P8411
P1933
P1311
P7111
P6163
P3195
P5467
P8306
P1434
Atom CA of residue 18
P3262
P4744
P1714
P2503
P8011
P8366
P7365
P7271
Atom HD13 of residue 23
P6001
P7889
P7572
P7824
Atom CA of residue 58
Atom N of residue 12
P3205
P2030
P187
P5729
P3288
P4084
P7179
P4563
Atom HB of residue 44
P1363
P5344
P7392
P6348
P1961
P1491
P3582
P5635
P3390
P1385
P5505
P2072
P7177
Atom CD of residue 62
P7670
P7103
P6624
P4754
P2355
P8076
P5289
P141
Atom HH12 of residue 42
P2536
P1717
P7638
P2316
P5477
P3704
P6957
P6664
P11783
P3042
P3548
P4783
P413
P5479
Atom O of residue 65
P3675
P8142
P8201
P7300
P4991
P8321
P8369
P8579
P2123
P4760
P1653
P6283
P2616
P6253
P4638
P1943
P3048
P3554
P2470
Atom HG23 of residue 14
Atom HH22 of residue 72
P2584
P8152
P6146
P5154
P3983
P1444
Atom CA of residue 40
P3032
P3538
P13553
P6650
P7452
P4639
P188
P11094
Atom H of residue 41
P5686
P12424
P4285
P8463
P1
P5468
P2819
P4601
P176
GLU
P8204
P1364
Atom H of residue 40
P8412
P1934
Atom HA of residue 69
P6164
P7431
P12029
GLU
P6720
P4992
P5663
P3773
P1448
P4256
P1787
P8012
P10382
P3479
P1421
P7272
Atom CG2 of residue 14
P1386
P5543
P6002
Atom HG21 of residue 3
P8515
P3244
P4354
Atom N of residue 59
P6164
P9026
P5254
P7816
P7639
P7180
P2421
P7983
P1645
P7112
P3196
P3077
P2486
P2317
P2338
P7671
P3263
Atom C of residue 58
Model 192
P4745
P5543
P7104
P6625
P1516
P2536
P7573
Atom HD3 of residue 6
Atom H of residue 51
P1492
P8202
P3206
P8300
P3289
P4085
P81
P4564
P2616
P5902
P1829
P7890
P2215
P6958
P5261
P7393
Model 151
P6349
P1715
P2505
P1944
P3583
P1718
P3391
P7366
P7891
P7178
ILE
P2031
P4755
P5290
Atom OE1 of residue 62
P2504
P5506
P2073
P5478
P2471
P3705
P6665
Atom CB of residue 65
PHE
P7825
P6254
P8323
P54
P3043
P3549
P4784
Atom CB of residue 74
P2199
P1654
P416
P12426
P5345
P3676
P1962
P13554
P6651
P5636
P1242
P11095
Atom CG of residue 23
P4761
P2617
PairsRestraint 13
Atom CA of residue 31
P4639
P2537
Atom N of residue 49
P5469
P7301
P11784
P5730
GaussianProcessInterpolationRestraint 9
P3049
P3555
P8077
P7432
P2585
P9027
P6721
P3984
P2124
Atom N of residue 15
P3033
P3539
P7453
P4640
P10383
P3480
P1365
P5687
P4286
P5262
P8516
Atom H of residue 53
P8143
P4992
P8301
P6147
P2820
P4602
P6284
P1517
P5480
P1646
P1449
P1422
Atom CA of residue 24
P4993
P3774
P4257
P1788
P8013
P5156
P5544
P1935
Atom HB2 of residue 69
Atom HZ of residue 4
P3245
Atom N of residue 73
Atom HA of residue 51
P4355
P7817
P7273
P8580
Atom HZ1 of residue 11
P5903
P2339
Atom HD22 of residue 25
P3197
P7181
P7367
Atom CB of residue 120
P6003
P7672
P3264
P4746
Atom CA of residue 49
P8462
P6165
P8155
P3054
P5544
P13
P7105
P6626
P5291
P1366
P2216
Atom CA of residue 4
P4
P8517
P2506
ARG
P8203
P3207
P1945
P3290
P4086
P7641
P4565
P1387
P2318
P5507
P2617
P5479
P6959
P7394
Atom HB of residue 14
P2538
P5664
P8324
P3584
P3392
Atom CA of residue 64
Atom CG of residue 74
Model 307
P7892
P7113
P5346
P6165
P5253
P1243
P4756
P7984
P8413
P2537
VAL
P1716
Atom CA of residue 13
P2032
P2487
P5731
P2200
P8078
P7179
P3706
P6666
P7574
VAL
P3044
P3550
P4785
Atom CD1 of residue 23
P8205
P142
P6350
Atom C of residue 31
P3677
P6652
P8302
P14
P4762
P2074
P2618
P1828
P7891
P7826
P6255
P4640
P8144
P7454
P4993
P6148
P11096
P3050
P3556
P6285
Atom HB2 of residue 39
Atom CE of residue 1
P2586
P5470
P3055
P5637
P8363
P3985
P3034
P3540
P4641
P10384
P5545
Atom C of residue 96
P1367
P2472
P5688
Atom NE2 of residue 62
P4287
LEU
P7433
P2505
P2821
P189
P4603
P7818
P6722
P8581
P2125
P1655
P7180
P12425
P5481
Restraint 180
P13555
P4994
P6004
P5263
P3775
P1963
P4258
P6166
P7302
P5545
Atom HA of residue 40
P1518
P3246
P4356
Atom CA of residue 72
P1789
P8206
P1440
P5904
P8414
P2538
Atom N of residue 58
Atom C of residue 49
P3198
P8464
P8205
P1
P11785
P7893
P2
P3
P7114
P3265
P6166
P4747
P8156
P7368
P2356
Atom HD11 of residue 23
Atom HB3 of residue 69
Model 172
P1717
P3208
P8014
P2488
P3481
P3291
Atom C of residue 64
P4087
Atom CD of residue 74
P4566
P2618
P1936
P7575
P7395
P8518
P5665
P8325
P3585
P5255
P5155
P3393
P5508
P1647
Atom HG1 of residue 14
LYS
P6351
Atom HG2 of residue 51
Atom HD22 of residue 15
P24
P5638
P7274
P4757
P1388
P2319
P7985
P483
P1368
P5480
P7673
P7827
P9028
P5732
P2546
P7106
P6627
P7182
P8079
P414
P3707
P6667
P1450
P3045
P3551
P4786
P2075
P2217
P6960
Atom HA of residue 65
Atom CA of residue 26
P3678
P2507
P1946
P6149
ListSingletonContainer505
Atom O of residue 96
P4763
P1441
Atom N of residue 43
P2619
P7892
Atom H of residue 62
P7434
P4641
P8145
P4994
P6723
P3051
P3557
P2340
P5482
phys
P2539
P13558
P5
P2587
P3986
P7640
Atom N of residue 38
P5292
Atom HG3 of residue 1
Atom O of residue 69
P3035
Atom HB3 of residue 2
Atom HA of residue 26
P3541
P1964
P7455
P4642
P25
Multivariate Normal distribution 9
P2126
P1656
P5689
Atom HB2 of residue 40
P1830
P4288
P5347
P6653
P8206
P2822
P4604
P2357
Atom O of residue 5
P2506
P8465
P8307
P11786
P8582
P5546
P4995
P7181
P3776
Atom HZ2 of residue 48
P4259
P2033
P7303
P11097
P7819
P6005
P3247
Atom O of residue 22
P4357
P5471
P8015
P10385
P3482
P1419
P2201
P211
P8207
P8415
P12427
Atom HG of residue 69
P8519
P6256
P5666
P3199
P5546
P5256
P2101
ListSingletonContainer336
P1719
Atom CB of residue 1
P2473
P6286
Atom CB of residue 69
P1515
P1648
P7115
P3266
ASP
Atom HG3 of residue 51
P4748
P1451
P26
P2320
P7986
P5481
P1937
P7674
P5265
P6167
P3209
P5157
P2547
P7107
P3292
P4088
P6628
P4567
P7894
P2619
P7576
P7396
P8326
P3586
P3056
P3394
Atom N of residue 28
P1389
P1369
P5905
P2341
P6961
Atom HB2 of residue 65
P5348
P1402
Atom CB of residue 42
PHE
Atom NE of residue 74
P7275
P4758
P5293
P486
Atom CA of residue 43
P7893
P7828
P1790
P6167
P9029
P7183
P2
P3708
P2218
P2539
P4102
P6668
P1965
P13559
P2489
P1254
P3046
P3552
P4787
P7642
P7369
P3679
P2507
Atom C of residue 72
P4764
P2620
P12428
Atom CA of residue 73
P4642
P2508
P6654
P8157
P10
P3052
LEU
P3558
Atom CG2 of residue 23
P5509
P6287
Atom HG12 of residue 26
P7435
P2588
P8308
P8328
P5733
P6724
P3987
Atom CA of residue 28
P2202
P5547
P8080
P1370
P3036
Atom HG21 of residue 5
P3542
P1720
P7456
P7304
P4643
P1720
Atom O of residue 64
P7820
P1382
P1657
P5690
P5483
P4289
Atom HA of residue 6
P6352
P2823
ListSingletonContainer126
P5639
P4605
P10386
P1831
P6257
P8146
P8466
P2034
P4995
P1947
P5547
P2076
P4996
P7182
Atom CD1 of residue 23
Model 14
P3777
P4260
P11098
P3248
P2540
Atom HZ3 of residue 48
Atom HD23 of residue 15
P4358
P5472
P8016
P5158
P8583
P7895
P214
P143
Atom HA of residue 2
P8520
Atom HB3 of residue 25
GeneralizedGuinierPorodFunction 0
P3200
Model 259
Atom O of residue 72
P3057
P5257
P7184
P5906
P3267
P4749
P3483
Atom CZ of residue 74
P7276
Atom OG1 of residue 69
P7675
P7829
Atom OE1 of residue 18
P5667
P3210
P6168
P7108
P3293
P4089
P6629
P4568
Atom CB of residue 96
P2620
P5482
P1649
P7397
P1452
P3587
P3395
P7643
P82
P7987
P2127
P8208
P1371
P6006
P2342
P8417
P6962
Atom H of residue 23
P5349
P6168
P6353
Atom HD13 of residue 30
P1791
P11787
P1246
P4759
P5294
P7116
P1403
Atom CB of residue 64
P2474
P3709
P4103
P6669
P5734
P3047
P3553
P4788
Atom C of residue 28
P7370
P8081
Atom HG3 of residue 40
P7894
Atom CG of residue 62
P5264
P7577
Atom C of residue 73
P3680
P4765
P2621
P12429
P5484
P4643
P6655
P8158
P3053
P3559
P5510
P6288
P1721
P13560
P8147
P2589
P4996
P8309
P1948
P8329
P5640
P10387
P1824
P3988
P2358
Atom H of residue 23
P1383
Atom CB of residue 3
P1938
Atom OG of residue 65
P3037
P3543
P4644
P42
P11099
P5548
P7183
P5691
P2540
P4290
Atom HD11 of residue 69
Atom HA of residue 16
P5473
P2824
P4606
P7821
P2203
P8584
P1390
P2321
Atom HB of residue 61
P8467
P7305
P9030
P2490
P1372
P4997
P1658
P3778
P4261
GeneralizedGuinierPorodFunction 7
P5548
P2077
Atom HZ2 of residue 11
P1657
P415
Atom HE2 of residue 4
P3249
P7436
P5668
P3
P4359
P8207
P7457
P11788
P5159
P6725
P2219
Atom C of residue 6
P2
P3201
P2509
P1
P5260
P7896
P7988
P8209
P2475
P5907
Atom HA of residue 23
Restraint 159
P3268
P6169
P6258
P4750
Atom N of residue 31
Atom CB of residue 72
P1247
P2568
Atom O of residue 42
P7184
P2343
P7117
P2368
Atom CA of residue 52
P3211
P2035
P3294
P4090
P4569
P2621
P7398
P7830
P6169
P9031
P8017
P3588
P190
P3396
P7371
P7277
Atom CG of residue 96
P484
P6007
Atom HE21 of residue 40
P1850
P7895
P7578
P6354
Atom O of residue 73
P2541
P4760
P2359
P2128
P1650
P1453
P1966
Atom HG12 of residue 61
P8159
P3
P5511
P3710
Atom CG2 of residue 69
P6670
P7676
P5266
P13561
P5735
P3048
P7109
Atom CG of residue 64
P3554
P6630
P4789
P8082
Atom HD2 of residue 48
P3681
P2508
P3058
P4766
P5483
P2622
P6963
P5350
Atom CG1 of residue 26
P4644
P1721
P3054
P3560
P1391
P2322
P5296
P8416
P5485
P1939
Atom H of residue 65
Atom HD12 of residue 69
P8148
P8468
P2590
P7306
P4997
P8304
P3484
P3989
Atom NE2 of residue 31
P3038
P3544
P6259
P2510
P4645
P5261
P1377
Atom HZ3 of residue 11
P5692
P1658
P4291
P2060
P8208
P9032
P2825
P2491
P5641
P4607
Atom O of residue 115
P7185
P1373
P1659
P2220
P12430
Atom HB2 of residue 16
P1404
P6656
P8330
P11100
P4998
P6289
P3779
P4262
P1792
P5474
P10388
Atom NH1 of residue 74
P2204
P212
P2476
P1851
P3250
P7437
P4360
P7458
P11789
P69
P5160
P6726
Atom CD1 of residue 4
P5669
P3202
P8018
P7278
P5549
P6008
P1527
P2541
P3269
Atom C of residue 52
P4751
P2542
P2036
P8161
P1248
P2569
P7822
P7644
Atom HZ1 of residue 27
P7989
Atom CD2 of residue 38
P144
P7118
P3212
ListSingletonContainer278
P3295
P4091
P4570
P1374
P2622
Atom N of residue 70
P7677
P5267
P7399
P3589
P5549
P1722
P7110
P3397
P6631
P8585
P2419
P2078
Atom HD3 of residue 48
P7579
P1454
P2509
P3059
P4761
P5908
P7896
P6964
P5351
P1718
P1967
P6170
P1949
P7897
P3711
P6671
P1651
Atom CB of residue 73
Atom HG13 of residue 61
P2492
P5642
P3049
P3555
P4790
Atom CB of residue 115
P83
Atom HD13 of residue 69
Atom CG2 of residue 26
P2369
P3682
Atom CG of residue 72
P7372
P8210
P4767
Atom O of residue 3
Atom CE1 of residue 38
P5484
P2623
P8418
Atom H of residue 31
P7831
P6170
P6355
P4645
P1793
P3485
Atom CD of residue 64
P3055
P3561
P12431
Atom HG2 of residue 63
P1405
P6657
P2591
P8331
P11101
P3990
Atom HA of residue 19
Atom C of residue 8
P2129
P6290
P2061
P3039
P3545
P5475
P7307
P4646
P5736
P2205
P8083
Atom CB of residue 23
P7185
P5693
P4292
Atom HB3 of residue 19
P7438
P2826
P5161
P4608
P6727
P7186
P5512
Atom CD of residue 96
P1376
Atom HB3 of residue 40
P6260
P2511
P7459
P10389
P1244
P4999
P2542
Atom CB of residue 2
P3780
P1968
P8149
P4263
Atom CD of residue 72
P4998
P7645
P5295
P2221
P5486
P1940
P3251
P4361
Atom H of residue 74
Atom H of residue 1
P13556
P3203
P8019
P8586
Atom HB2 of residue 19
P1392
P5550
P8211
P2079
P1661
P1852
P3270
P4752
UnaryFunction14
Atom CG2 of residue 61
P8204
P2570
P7823
P7279
P5909
P1528
Atom HG2 of residue 19
Atom C of residue 20
P8469
P3213
P6171
P1950
P3296
P4092
P4571
P2323
P1377
P2623
P6009
P7678
P5268
P7400
Atom CG of residue 73
P2510
P3590
P11791
P5550
P7111
P3398
P6632
P8557
P4762
Atom N of residue 3
P5485
P8419
P6965
P6171
P6356
P5670
P1719
P192
Atom OE1 of residue 64
P7898
P2360
P3712
P6672
P7119
Atom HG3 of residue 63
P8160
P3060
P3050
P3556
P4791
P7990
Atom CB of residue 17
P5513
Atom CE2 of residue 38
P2477
Atom N of residue 52
P3683
P5737
P3486
Atom SG of residue 115
P8084
P4768
P2624
Atom HA of residue 31
P7580
P7832
Atom HG12 of residue 30
P4646
P2037
P9033
P3056
P3562
P2130
Atom CA of residue 5
P6658
P2592
P3991
P7373
P7186
P7897
P3040
P3546
P2370
P8150
Atom NE of residue 72
P1794
P4999
P4647
P1245
P11102
P5694
Atom HG2 of residue 40
P4293
Atom HG23 of residue 14
P1406
P5476
P2827
P5258
P4609
P485
P5352
P6261
P2543
P1455
P8470
P10390
P5551
P2324
P5297
Atom CE of residue 96
P5000
P1662
UnaryFunction6
P1941
P2062
P7439
P3781
P4264
P2511
Model 280
ListSingletonContainer245
P5643
P7824
P7646
Atom HE2 of residue 48
P2344
P2222
P5487
P1652
P3252
P4362
P2512
Atom HG23 of residue 30
P7460
Atom HB3 of residue 19
Atom HD3 of residue 11
P6010
P13557
P3204
P7308
P5551
ScoreState 9
P2361
P8212
P12432
Atom HG3 of residue 31
P3271
P4753
Atom CB of residue 19
P1951
P2571
P8587
P6291
P5910
P3214
P90
P3297
P6728
P4093
P4572
P7899
P1394
P5514
P2080
P2624
Atom HG3 of residue 19
P7120
P5269
P7401
Atom HD21 of residue 69
Atom CB of residue 20
P2054
P3591
P3399
P7187
P8020
P5644
P5162
P1723
P4763
P1382
P1321
P1659
P8420
P1853
P5353
P7581
P7833
P5671
P2038
P9034
P2206
Atom C of residue 22
P3713
P6673
P6172
ASP
P2493
P3051
P3557
P4792
P7374
P7280
P7991
P213
P5486
P1529
P7679
P2544
Atom CG of residue 42
P3684
P8327
P5738
P7112
P6633
Atom HA of residue 74
P8085
Atom CG1 of residue 17
P4769
P2625
P4647
P4104
P11790
P23
P3057
P3563
P2345
P2543
P6966
P1969
P2593
P6172
P8556
P8162
P3487
P3992
Atom N of residue 116
P7188
P5298
P145
P7187
P6292
P7898
Atom CZ of residue 5
P3041
P3547
P7440
P8151
P5000
P4648
P1386
P2478
P5695
P5488
P4294
P2828
P5259
P4610
ListSingletonContainer506
P2063
Atom N of residue 15
P6357
P1457
P8471
P1795
P3061
P6729
P5001
P1660
Atom OG of residue 20
P12433
P1653
P1407
P3782
P4265
P6659
P7647
P417
Atom N of residue 6
P2371
P3253
P13300
Atom HG21 of residue 61
P4363
Atom HG12 of residue 30
P7461
P5163
P1724
P1
P5552
P2325
P1663
P2223
Atom HB2 of residue 31
P5270
Atom CD1 of residue 73
P3205
P2513
P7309
ListSingletonContainer375
P11103
P2131
P6011
P1331
Atom HD2 of residue 63
P3272
P6262
P4754
P5477
P8021
P10391
P2572
P2545
P5672
Atom CG of residue 19
P3215
P8163
P5552
P2894
P3298
Atom OE2 of residue 64
P7825
P4094
P7189
Atom HB2 of residue 74
P2207
P4573
P2625
P7121
P7402
P9035
P3592
P2494
P3400
P1375
P8588
P7992
P5487
P1854
P2544
P7680
Atom HH12 of residue 72
P7113
P6634
P7648
P7900
P4764
Atom CB of residue 13
P8213
Atom OH of residue 23
P1387
P2081
Atom HE3 of residue 48
P8421
P1942
P5354
P7582
P2383
P6358
Atom HG22 of residue 61
Atom CZ of residue 72
P2039
P1952
ListSingletonContainer127
Atom C of residue 15
P5911
P3714
P1530
P6967
P6674
P6173
P3052
P3558
P4793
P7375
P7281
Atom CA of residue 51
P7188
P7899
P7834
P3685
P2512
P11792
P4770
P2626
Atom H of residue 20
P2364
P6173
P4648
P4105
P8558
P2546
P5645
P6730
P3058
P3564
P1395
Atom OE1 of residue 2
P2594
P3062
P3993
P5299
GaussianProcessInterpolation58
P6293
P1661
P12434
P3042
P3548
Atom CD2 of residue 73
P6660
P4649
Atom CA of residue 116
P5696
P4295
P1331
P7441
P13301
P1796
P2829
P5739
P4611
P1376
P8086
P1408
P7310
P5001
Atom H of residue 64
P2362
VAL
P2132
P5002
P1660
P5489
SER
P3783
P4266
P10392
P2051
Atom CD of residue 42
P5515
P1388
P420
P2545
Atom HD22 of residue 69
P3254
P8152
P4364
P5164
P4095
JeffreysRestraint_P0
P1
P3206
Atom HG13 of residue 30
P9036
P2895
P11104
P8589
Atom HD3 of residue 72
P3273
P6263
P4755
P1970
Atom H of residue 66
P8473
P5478
P8022
P2573
P7901
P2326
P8214
Atom N of residue 24
P2479
P8422
P1943
Atom NH1 of residue 72
P3216
P8164
P3524
P3299
P1377
P4574
P2626
P5912
P1654
Atom N of residue 22
P7403
P2372
P6359
P7462
P3593
P3401
Atom HB3 of residue 74
P7376
P7282
P2082
P2064
P7681
Atom CB of residue 23
P7835
P5673
Model 80
P11793
P5646
P7114
P7826
P6635
P7649
P4765
P5488
P1541
P6174
P1458
P8559
P2568
P91
P3571
P5553
P7993
Atom C of residue 51
P6012
P3715
P2224
Atom HB3 of residue 31
P6968
P6675
P1333
Atom HG23 of residue 5
Atom H of residue 30
Atom OE1 of residue 2
P0
P3063
P3053
P3559
P4794
P8087
P2346
P7122
P3686
Atom HB of residue 66
P2040
P6174
P84
P1396
P2363
Atom O of residue 2
P4771
P2627
P5271
P4649
P2514
P4106
P2495
P5553
P5740
P3565
P7900
THR
P5355
P7583
P2595
P5002
P3994
P5300
Atom HZ1 of residue 48
P1662
P5490
P3043
P3549
P6661
P4650
P5516
P5697
P4296
Atom HD23 of residue 69
Atom HE3 of residue 63
Atom H of residue 73
P13302
P8153
P2513
P1953
P2830
P4612
P27
P1378
P2208
P146
P1855
P191
P11105
P1389
P5003
P12435
Atom HE of residue 72
P5061
P3784
P4267
P5479
P10393
Atom HA of residue 64
Atom HD13 of residue 36
P5554
Atom H of residue 4
P2480
P7189
P6294
P3255
P6264
P4365
P7311
P4096
P7190
P2133
P1655
P3207
P7463
P2896
P1725
P2327
P0
P3274
P7442
P4756
P5674
P5554
P2574
P7827
P2347
P1944
P3217
ListSingletonContainer351
P3300
P4575
P7902
P7994
Atom H of residue 3
P2627
P5913
Atom HA of residue 20
P2065
P5272
P7404
P1409
P3
P3594
P5166
P3488
P3402
Atom C of residue 116
P1390
P1531
P7123
P1459
P1971
P2041
P1797
P11794
P2497
P6731
P7377
Atom N of residue 37
P4766
P7190
P2225
P7836
P8560
P2569
P8023
P3572
Atom NH2 of residue 74
P7283
P6013
P7901
P3716
P6676
P5356
P7584
Atom HD23 of residue 69
P2373
Atom HG1 of residue 66
Atom HG23 of residue 61
P8472
P8165
P3054
P3560
P4795
P2209
P8088
P5301
Atom HZ2 of residue 48
P6360
P3687
P2515
P193
P7650
P8590
P5517
P4772
P2628
JeffreysRestraint_P1
Atom CA of residue 42
P7682
Atom N of residue 70
P4650
P2514
P4107
P3064
P5741
P7115
P6636
P3566
P8215
Atom HG2 of residue 31
Atom CB of residue 4
Atom HZ of residue 4
P2596
P7466
P6175
Atom CB of residue 6
P3995
P2364
P5489
P2481
P8423
P12436
P6969
P3044
P3550
P1954
P4651
P1726
P6295
P5698
Atom HB2 of residue 20
P1856
P5491
P4297
P13303
P8154
P7312
P5003
P2831
P4613
P3489
P1347
P7191
P487
P2083
Atom N of residue 51
P6175
P9037
P1
P6
P1391
P5004
P418
P5062
Atom H of residue 24
Atom HA of residue 73
P3785
P4268
P2054
P2496
P5647
P1532
P3256
P4366
P6662
P11106
P8194
GLU
P2134
Atom OE1 of residue 51
P1663
P3208
P5480
P2897
Atom HB2 of residue 64
Atom O of residue 116
Atom CG2 of residue 5
Atom N of residue 70
Atom HZ1 of residue 63
P3275
P6265
P7443
P4757
ListSingletonContainer260
P2575
P7828
P6732
P8216
P7191
Model 354
P2374
P5675
P3218
P8024
P10394
P3301
P7284
P4576
P2628
P6014
P2066
P5273
P7405
P1972
Atom HD11 of residue 61
P1513
P1798
P9038
P8166
P3595
ListSingletonContainer279
P3403
P7995
P1945
P7124
Atom HA of residue 24
P1410
P11795
P7651
P8591
P4767
P8424
P7683
P3
P8474
P8561
P1955
P2570
P7116
P6637
P3573
P1348
P5555
P3717
P6677
Atom C of residue 73
P7585
VAL
Atom C of residue 3
P6361
P6176
P3055
P3561
P4796
P215
P1392
P5914
P7902
Atom HE21 of residue 31
P6970
P3688
Atom N of residue 23
P7903
P1393
P4773
P2629
P4651
P13304
P4108
P5555
P5165
P2210
P3567
P2328
P1656
P6176
Restraint 75
P2597
P8197
P3996
P7192
P7378
Atom C of residue 37
Atom OE2 of residue 51
P5490
P3045
P7837
P3551
P5063
Atom HB2 of residue 73
P4652
P85
P2084
THR
P5699
P4298
P6663
P7464
P2832
P4614
P11107
P2365
P490
Atom HB3 of residue 20
P2226
P2516
P5481
P7313
P5742
Atom C of residue 43
Atom HB3 of residue 64
P8089
P5518
P5005
P5357
Atom HZ2 of residue 63
P7444
P3786
P1973
P4269
P2515
P7829
P6733
P7652
P3077
P3257
P5
Atom CB of residue 66
P4367
P2042
P10395
P5302
P8155
P3209
P5004
P9039
P2898
P5648
Atom CA of residue 16
P2135
P1857
P5492
Atom O of residue 73
P3276
P6266
P1
P4758
DihedralSingletonScore7
P11796
P3065
P2576
P8217
P12437
P1514
P8475
P3219
P8562
P3302
Atom HB3 of residue 43
P4577
P5556
P2366
P2629
P7192
P6296
P2348
P7406
P2375
Atom CA of residue 20
P3596
P3404
P7285
P5915
P1657
P1456
P8025
P4768
P147
P6015
P8425
Atom N of residue 32
P2067
Atom O of residue 1
P7684
P2571
P5556
P3490
P7117
P6638
P3574
P8592
P1383
Atom HD13 of residue 15
P4
P3718
P1946
P6678
P5358
P7465
P3056
P3562
P4797
P7193
Atom CA of residue 23
P218
P5491
P6971
P5275
P5676
P3689
P5167
Atom CB of residue 43
P7904
P2329
P5519
P4774
P2630
P7125
P4652
P4109
P3568
P7996
P2482
Atom C of residue 61
P2227
P1411
P2598
P5743
P8198
P3997
P7379
P8090
P5303
Atom NH1 of residue 5
P3046
P7586
VAL
P7842
P3552
P6177
P1799
P8167
P4653
P5649
Atom HD11 of residue 43
P2211
Atom H of residue 51
P6297
P5700
Restraint 133
P4299
Atom O of residue 3
P2517
P6664
P2043
P2833
P4615
P1727
P7903
Atom HH11 of residue 42
P8156
P5005
P11108
Atom O of residue 23
P5006
P2349
Atom CB of residue 73
P6362
P3787
P4270
P5482
P6177
P2498
P3078
P12438
Atom HG21 of residue 12
P5064
P3258
P4368
Atom O of residue 5
P1956
P10396
P7830
P1384
P1858
Atom CA of residue 70
P7445
P3210
P3066
P2899
P5557
P2085
P5493
P3277
P4759
P13305
P9040
P2577
Atom HG3 of residue 37
P2053
P6016
P1664
P1533
P7838
Atom C of residue 20
P8476
P3220
P7314
P3303
P4578
Atom HD21 of residue 15
P2630
Atom HG of residue 20
P7407
P2516
P3597
P5557
P3405
P6734
LYS
P5916
P4
P2068
Atom O of residue 4
P5168
P3491
P7905
P4769
P2483
P7126
P5065
P6267
P2572
P8218
P419
P3719
P6679
P1658
P5359
Atom C of residue 70
P6363
P1412
P1728
P3057
P3563
P4798
P7380
P2136
P7587
Atom CA of residue 70
P5677
P3690
Atom HH12 of residue 42
P1974
P1800
P8168
P8593
P4775
P7193
P2631
P2376
Atom O of residue 20
P4653
Atom HG21 of residue 5
P4110
P8026
Atom OG1 of residue 43
P13077
P3575
P7286
P3569
P7997
P1385
P5492
P8427
P7685
P2599
P11797
ListSingletonContainer271
P5744
P7118
Atom HG2 of residue 64
P6639
P3998
P2212
P8091
P5304
P3047
Atom HD3 of residue 63
P3553
P4654
P488
P6298
P5701
P2228
P12439
P4300
P6972
Atom HD11 of residue 73
P13306
P2518
P1515
P2834
P4616
Atom CB of residue 61
Atom HE1 of residue 4
P2363
P7904
P1534
P5274
Atom O of residue 70
P7839
P6178
P7446
P8157
P5006
P5007
Atom HA of residue 51
P5494
P3788
P4271
P6735
P1665
P3079
Atom HE22 of residue 31
P3259
P4097
P4369
P3067
P2330
P2086
Atom N of residue 21
P1859
P3211
Atom CA of residue 46
P6665
P2900
ListSingletonContainer507
Atom CA of residue 3
P3278
P4760
P2578
P13078
Atom HG21 of residue 22
P2367
P1947
Atom HA of residue 73
P5066
P8477
P3221
P7315
P5650
P131
P3304
P11109
P4579
P5520
P8219
P2631
P2484
P6017
P7408
P5483
P3598
P10397
P3406
P7194
PRO
Atom CD1 of residue 45
Atom HB2 of residue 51
Atom H of residue 61
P5678
P4
P7467
P6178
P8169
P1957
P11798
P5169
Atom HG3 of residue 64
P7831
P8594
P4770
P5558
P7127
Atom HG2 of residue 37
P6268
GeneralizedGuinierPorodFunction 11
P2044
P2573
P7998
P216
P2137
P5493
P3720
P6680
P7686
P6364
P9041
P3058
P7119
P3564
P6640
P4799
P7906
P148
P7588
Atom CB of residue 70
P3691
P8027
P2499
P5558
P3492
Atom HA of residue 43
P4776
P7194
P2632
P5917
P6973
P1659
Atom HE21 of residue 2
Atom HD12 of residue 73
P4654
P1413
Atom HH21 of residue 42
P2517
P1516
P4111
P3576
P7381
P7287
P3570
P7905
P7840
Restraint 30
P2377
P2600
P1801
P3999
P7195
P2368
P3048
P5360
P3554
P4655
THR
P5702
P4301
P5276
Atom HE2 of residue 63
Atom HB of residue 66
P6179
P1975
P13307
P4098
P2835
P4617
P2331
Atom N of residue 75
P1335
P2069
Atom HG13 of residue 17
P1917
P6666
P6179
P5008
P2229
Atom CB of residue 70
P7447
P3789
P4272
P5745
P8092
P5306
P5521
Atom CD1 of residue 3
P8426
P12440
P3260
P4370
Atom C of residue 46
P8478
P7316
P6299
P5495
Atom CD of residue 54
P3212
P2519
P2045
P2901
P5651
P10398
P2350
P1948
Atom HB3 of residue 73
P4761
P8158
P5007
P3068
ListSingletonContainer128
P2579
P13079
P3080
P3222
P2500
P3305
P11110
P2213
P4580
P1336
P2632
P7409
P6269
P2518
P5484
P3599
P1729
P3571
P3407
Atom HD22 of residue 50
P7288
P7907
P1860
Atom C of residue 15
Atom HD1 of residue 4
P3279
P7468
P11799
P5170
P7832
Atom CA of residue 37
P4771
P5559
Atom HB2 of residue 11
Atom HB3 of residue 51
P7195
P5918
P5067
P2574
Atom N of residue 65
P7382
P4595
P3721
P6681
P7687
Atom C of residue 27
P5679
P9042
P7120
P3565
P6641
P4800
P7196
P5494
P1536
P1660
P5361
P3692
P8170
P8028
P5559
P7999
P4777
P2633
P6018
P6974
P5277
Atom CG1 of residue 70
Atom HG1 of residue 66
P4655
Atom HB3 of residue 29
P4112
P6180
P3493
P6736
Atom HB2 of residue 43
P3577
P1345
P2087
P1683
P7128
Atom HB2 of residue 4
Atom HG21 of residue 17
P2601
P1958
P4000
P1321
P8220
ASP
ASP
P3049
Atom CG1 of residue 70
P7841
P3555
P6365
P1414
Atom HH22 of residue 42
P1517
P6667
P4656
P5746
P2611
P8093
Atom CA of residue 75
P5522
P5703
P2351
P7906
P12441
P4302
P7589
P1918
P2836
P4618
P86
P8595
P2369
P6300
P5496
Atom CZ of residue 54
Atom CB of residue 27
P2520
P2138
P5009
GaussianProcessInterpolationRestraint 26
P2485
P2070
P3790
P8159
P4273
P1802
P5008
P1730
P2332
P2230
P2378
P3261
P4371
Atom HG3 of residue 29
P11111
P6548
P13309
P2055
P3213
P5485
P2902
P10399
P1861
P4762
P2519
P7317
P5171
P7833
P2214
P5560
P5919
P8429
P3081
Atom HG21 of residue 13
P1976
P7469
P3223
P2046
P5652
P3306
P4581
P4596
P8221
P1346
P2633
P7410
Atom HB3 of residue 73
P7448
P5680
P9043
P3600
P3572
P3408
P5305
P489
P2088
P3280
P8171
P1959
P194
P5560
P6737
P7908
P4772
P8000
Atom O of residue 15
P5068
P6270
P2575
Atom HG11 of residue 5
P3722
P1537
P6682
P7129
P3566
P4801
P7383
P7196
P1677
Atom CA of residue 21
P6366
P3693
P8479
P3069
P2501
ListSingletonContainer299
P2612
SER
P13080
P7197
P4778
P2634
P6019
P7907
Atom CA of residue 67
P5278
P7590
P6180
P4656
P4113
P11801
P3494
P3578
P8596
Atom CG2 of residue 70
Atom CG2 of residue 70
Atom HH12 of residue 72
Atom CG of residue 27
P2602
P4001
GLY
Atom HD23 of residue 50
P2139
P6549
P3050
P7688
P3556
P4657
P5747
P7121
P6642
P8094
Atom HG2 of residue 51
P5704
P4303
Atom HG of residue 73
LEU
Atom H of residue 46
P8029
P2837
P4619
MD 11
P5523
P5495
Atom HB3 of residue 46
P6975
P1415
P1518
P1803
P6181
P5653
P5010
P5497
P3791
P8160
P4274
Atom HD2 of residue 29
P7318
P5009
Atom CA of residue 8
P217
P8430
P5362
P3262
Atom H of residue 17
P1977
P4372
P6668
P0
P7289
P174
P1666
P1661
P2379
P3214
P2903
P2333
P4763
P1919
P11112
P6738
P3082
Atom CA of residue 32
Atom HA of residue 61
P8480
P3224
P5486
P1960
P2613
P1731
P3307
P4582
P4597
P5307
P8222
P2634
P2486
P12442
GeneralizedGuinierPorodFunction 37
P1538
Atom HG22 of residue 13
P2071
P7411
P7449
P3601
P3573
P3409
P7834
P1829
P7197
P6301
Atom HD11 of residue 73
P3281
Atom HG of residue 73
P5681
P7470
P2047
P10400
Atom CA of residue 65
P13081
P4773
P6020
P2231
Atom HG21 of residue 66
P6181
P6271
P13308
P2521
P9044
P2576
P8001
Atom C of residue 75
P2089
P421
Atom C of residue 21
P2352
P3723
P6683
P7130
P3567
P4802
P5561
Atom CG of residue 6
P6550
P5920
Atom C of residue 67
P5363
P7689
Atom C of residue 70
Atom N of residue 46
P3694
Atom HB3 of residue 64
P7122
P6643
P4779
Atom HG3 of residue 51
P2635
Atom C of residue 32
P5279
P7591
P4657
Atom HA of residue 46
P4114
P8030
P6548
P3579
P2215
P1862
P7908
Atom N of residue 47
P6976
Atom NH1 of residue 54
Atom HA of residue 17
P2520
P2603
P5561
P5172
P4002
P8597
P7909
P3051
Atom H of residue 70
P3557
P4658
P0
Atom HG21 of residue 61
P5705
P4304
P1519
P8172
P2838
P4620
P7384
ModelScoringFunction17
P2140
ScoreState 26
P5496
P6302
P1667
P2380
P3070
P2502
P7198
Atom N of residue 51
Atom HG1 of residue 9
P5011
P5921
P7843
P3792
P4275
P6669
P11800
Atom HG3 of residue 64
P11113
P1662
P3263
P6367
Atom HB of residue 61
P4373
P5487
P7319
P5748
P3495
P7290
Atom HZ of residue 4
P8095
P2334
P5308
P12443
P1535
Atom CA of residue 49
P7450
ALA
P3215
P1920
P2904
P7835
P4764
P10401
P5562
P5524
P3083
P2072
Atom HG22 of residue 66
P1978
P8161
P8481
P3225
P6182
P5010
P9045
P2581
P3308
P6739
P4583
P4598
P1830
Atom O of residue 75
P2635
P2353
P5498
P1472
P7412
P2048
P3602
P132
P3574
P3410
P0
P1417
P13310
P2522
Atom H of residue 29
P0
P7471
P5562
P5654
P5173
P1732
P4774
P7198
Atom O of residue 32
Atom HD12 of residue 73
P5280
P1804
P2577
P195
P6549
GLU
P2216
P2142
Atom O of residue 4
Atom HG22 of residue 61
P424
P8428
P3724
P6684
Atom O of residue 70
Atom NH2 of residue 54
Atom N of residue 27
Atom HB2 of residue 38
Atom CA of residue 43
P3568
P8223
P6551
P6021
P5364
P7690
P6368
P3695
P7123
P6644
P4780
P2090
P2487
P2636
Atom O of residue 21
P1863
P4658
P4115
Linear1DFunction 42
P8173
P8031
P3580
Atom HE2 of residue 1
P5497
P1668
P2232
P5
P6977
P6182
P6272
P5682
P2604
P2503
P4003
P13082
P7910
Atom HG21 of residue 9
P7131
P3052
P3558
1G6J_MODEL1.pdb
Atom HB of residue 17
P1961
P4659
P5655
P8002
P5706
P4305
Atom O of residue 67
Atom HA of residue 70
P4944
P2839
P3071
P5749
P4621
P7385
P8598
P8096
P6303
P12444
P7592
P1340
P11802
Atom N of residue 65
P7199
P5012
P150
P5922
P1473
P3793
P4276
P2521
P6670
P53
P1351
P7909
Atom C of residue 49
P7844
P3264
P8162
P4374
P5011
P11114
P5309
P2354
P6183
Atom HH22 of residue 72
P3216
P5488
P2905
P491
Atom HE1 of residue 1
P4765
Atom CA of residue 46
P13311
Atom O of residue 46
P10402
Atom C of residue 65
P7836
P5525
P3084
GLY
P7451
P1520
P3226
P6183
P2582
P3309
P13083
P4584
P2143
P2636
P2546
P5499
P7413
Atom HB3 of residue 38
P1341
P9046
P2
P3603
P1733
P3411
Atom HG12 of residue 30
P8224
P6022
P1805
P7320
P5174
P3496
P1352
P4775
P2488
Atom O of residue 49
P8174
P2578
P5656
P6550
P4599
Atom N of residue 66
P3725
P6685
P1663
Atom CB of residue 67
P8483
P3575
P3569
Atom CA of residue 51
P7291
P7911
P2091
Atom HG23 of residue 61
Atom CB of residue 21
P7132
Atom CB of residue 61
P6369
P3696
P6740
P2217
P2340
P4781
P2637
P2381
P4659
GeneralizedGuinierPorodFunction 62
P4116
P7472
P3581
P7386
P8599
P1421
P2073
P5365
P7593
P4945
P6273
P2
P5683
P1342
P1979
P2523
P1921
P2605
P11803
Atom O of residue 65
P4004
P7200
P7199
P5923
P3053
P3559
Atom HD13 of residue 43
P4660
P8003
P6552
P5498
P5707
P4306
Atom HB2 of residue 73
P7691
Atom HA of residue 23
P1416
P4097
P2840
P5750
P4622
P7124
P6645
P5563
P1833
P8097
P1669
P1310
Atom CB of residue 5
P8032
P7292
P5013
P1864
P6978
P5281
P6184
P3794
P4277
P3072
P2504
P1353
P5526
THR
Atom C of residue 3
P7910
Atom HG23 of residue 66
P3265
P7452
P8163
P4375
P5012
P0
P1962
P5563
P5310
P12445
P5500
P3217
Atom CB of residue 46
P6184
P2906
P6304
Atom CA of residue 47
Atom HD21 of residue 43
P4766
P13312
P3085
P0
Atom HG13 of residue 23
P6671
P3227
P2583
P3310
P13084
ListSingletonContainer550
P4585
P2637
P2116
P1664
P7414
P1521
P3604
P3497
Atom H of residue 64
P3412
LEU
P2568
P1422
P1980
P2522
P1922
P7321
P11115
Atom HG13 of residue 30
P4776
Atom HG12 of residue 61
P6023
P422
P7845
Atom C of residue 46
P5489
P2579
ListSingletonContainer129
P10403
P7293
P4600
P175
P3726
P2074
P6686
P5366
Atom HG22 of residue 22
P2382
P3
P133
P3576
P3570
P7837
P2355
P7133
Atom CG of residue 67
Atom NE of residue 54
P6274
P3697
P11804
P6741
P1354
P5564
P4782
P6553
Atom CB of residue 12
P5499
P2638
P7692
P5282
Atom HG22 of residue 23
P4660
P2524
P4117
P7473
P4098
P9047
P8175
P5176
P1734
P7125
P6646
P3582
P7912
P2489
Atom H of residue 32
P7594
P5684
P2606
P1806
P8033
P6551
P4005
P2218
P7200
P1474
P6979
P3054
P3560
P1409
P4661
P5564
Atom CB of residue 65
Atom C of residue 51
P7387
P1834
P8004
P8225
P5708
P7911
P4307
Atom C of residue 55
Atom CB of residue 49
Atom N of residue 67
P6370
P8482
P2841
P4623
P7201
P5311
Atom CZ of residue 4
P5924
P1865
P12446
P2339
P5014
P6305
Atom HB of residue 70
Atom HD22 of residue 43
P3795
Atom CD1 of residue 61
P4278
P219
P1344
P3266
P2315
P4376
P6672
P2612
P5657
Atom CA of residue 66
Atom CB of residue 2
P4946
Atom HG2 of residue 38
P7453
P3218
P5751
P2907
P8600
P8098
P5527
P4767
P13313
P2523
P0
P7322
P2092
Atom CG of residue 21
P3086
Atom CB of residue 32
P5501
P6185
P3228
P6185
P10404
P2584
P3311
P11116
P4586
P492
P2638
P1670
P1
P7415
P7846
P8164
P5013
P1735
P3413
P4595
P8226
P2356
P2569
Atom N of residue 43
P2505
P6742
P4777
P5565
P1475
P7668
Atom N of residue 23
P5490
P8176
P1963
P3498
P0
P4601
P7913
Atom HG13 of residue 61
P3727
P1423
P6687
P1923
P7474
P3076
P3126
P3577
P6552
P7842
P1355
Atom OG1 of residue 12
P7201
P1410
P3698
Atom NE of residue 42
P11805
P5565
P7388
P1345
P4783
P6554
P2639
P2075
Atom O of residue 55
P7693
P5283
Atom CG of residue 49
P6371
P4661
Atom O of residue 46
P1522
P8485
P4118
P4099
P1807
P9048
P7126
P6647
P13085
P3583
P7202
P5500
P5925
Atom H of residue 67
P2
P6275
P1981
P2607
P8034
P4006
Atom O of residue 51
P2141
P6024
Atom CG of residue 32
P6980
P3055
P3561
Atom NZ of residue 11
P4662
P2219
P2055
P5709
P6
Atom C of residue 47
P4308
P7134
P13314
P2842
P4624
Atom OD1 of residue 21
P5685
Atom CB of residue 19
P2524
P196
P5752
P1356
Atom CG of residue 31
P8601
P8099
P5528
P5015
P7912
P7595
P3796
P2316
P4279
P5175
P11117
P7838
P8005
P222
P5502
P1665
P4947
P6186
P3267
Atom H of residue 61
P4377
P6673
P6150
P2490
P5367
P7847
P8165
P3219
P5014
P2908
P4596
P2370
P2093
Atom HD2 of residue 38
P4768
Atom OG of residue 65
P3087
P2525
P3229
P5491
P6186
P1964
P2613
P10405
P2585
P3312
P172
P7294
P4587
P1831
P2639
P7416
Atom HG11 of residue 70
P1982
P8486
P7323
P85
P3414
P8227
Atom C of residue 66
Atom HB2 of residue 2
P3
P2570
P12447
P1476
P0
P1318
P5658
P4778
P5312
P176
P6306
P7653
P7454
P9049
P2506
P13086
P4602
P5566
Atom CZ of residue 4
P1866
P3728
P6688
P7135
Atom HA of residue 67
P11806
P3578
P6553
P6743
P1357
P7914
P1672
P2384
P1411
P3699
Atom HD13 of residue 36
P3073
Atom OE1 of residue 31
P4784
P2640
P1424
Atom O of residue 47
P2076
P5368
P7596
LEU
P4662
P4119
P7475
P5566
P7839
P3584
P7389
P7202
P2357
P1666
P6276
P5686
Atom CG of residue 19
P2608
P4007
P7203
P2056
Atom HD2 of residue 27
P6025
P5926
P7913
P3056
P3562
P1525
P1924
P8006
P5710
P4309
Atom CD1 of residue 23
P4948
P4100
P2843
P6151
P4625
P3499
ListSingletonContainer300
Atom H of residue 65
P6555
Atom N of residue 4
P7694
P5285
P2526
P8177
P5753
P5177
P1736
P7127
P6648
P8100
P5016
P6307
P423
Atom OD2 of residue 21
Model 328
P1
P3797
P4280
P1965
P8035
P8602
P5529
P5501
P2491
P5
P6981
P3
P3268
Atom CB of residue 46
P4378
P7295
P5313
P5503
Atom HG12 of residue 70
P6187
P1642
P6372
P8166
P3220
P1808
P7324
P5015
P3605
P3074
P2507
P2909
P4597
P1358
Atom HE2 of residue 27
P1867
P12448
Atom OD1 of residue 32
Atom CB of residue 55
P4769
ListSingletonContainer27
P3088
Model 396
P3230
P2586
P3313
P4588
Atom O of residue 66
P2640
P7417
P2317
Atom H of residue 25
P6674
P8487
P3415
P6744
P2220
Atom C of residue 5
P2571
Atom HD23 of residue 43
Atom N of residue 37
P1
P5492
P4779
P1832
Atom CA of residue 42
Atom CA of residue 67
P7455
P7840
P4603
P2094
P7203
P3729
P6689
P7136
Atom HG1 of residue 22
P13315
P6187
P2581
P5659
P10406
P3579
P6026
P3700
P9050
P1737
P8228
P4785
P2641
P2358
P5369
P7597
P6373
Atom CD of residue 19
P4120
P7476
P3585
P6556
P2492
P7
P1425
P1477
Atom H of residue 47
P2077
P7695
P7654
Atom HD3 of residue 38
P1412
P5687
P1925
P8178
P3606
P197
P5178
P7128
P6649
P4008
P3057
P3563
Atom N of residue 44
P8036
P11118
P6554
P13087
P5567
P8007
P493
P5711
P7914
P4310
P6982
P1667
P4949
P4
Atom H of residue 46
P2525
Atom HB2 of residue 25
P4101
Restraint 94
P2844
P4626
Linear1DFunction 22
P7915
P1671
P7848
P1809
P6152
Atom C of residue 16
P7296
P220
Atom HG13 of residue 5
P5017
Atom H of residue 49
P6308
P12449
Atom N of residue 20
P6277
P3605
P3798
P1983
P4281
P5567
P7390
P5502
P1643
P3269
P13316
P4379
P11807
P1359
Model 410
P7204
P5314
P5927
Atom H of residue 21
Atom OG1 of residue 55
P2385
P3221
P6675
P2910
P4598
P8603
Atom CB of residue 16
Atom HG13 of residue 70
P4770
P2527
P1526
P5493
P7325
P5754
P3500
P8101
P3089
P5284
P7655
P6188
P7456
P2318
P3231
P2587
P3314
Atom O of residue 31
P2221
P4589
P2641
P1868
P7418
P7849
P8484
P5660
P10407
P3416
P13088
P5530
P2572
Atom OD2 of residue 32
Atom C of residue 67
Atom N of residue 39
P8167
P5016
P9051
P6745
P4780
P2371
P8229
P2095
P5504
P1360
P173
Atom CG1 of residue 5
P4604
P3730
P6690
Atom O of residue 53
P6188
P8179
P2582
P1738
P3580
P7841
Atom HE3 of residue 27
P7204
Atom CD1 of residue 67
P3701
Atom HG23 of residue 36
P2526
P3607
P11119
P6555
P4786
P2642
P1478
P6374
P1413
P4121
Atom HA of residue 65
P3586
Atom CB of residue 66
P6557
P6027
P7696
P11808
P3075
P5179
P7129
P6650
P4009
P7297
Atom HA of residue 49
P3058
P3564
P3606
Atom HA of residue 19
P4106
P8037
P5568
P5503
P5712
P1673
P4311
P6983
P2845
ListSingletonContainer244
P4627
P7916
Atom HA of residue 21
P7137
P5370
P2386
Atom HA2 of residue 53
P7477
P1810
P1966
P8604
Atom C of residue 11
P5018
P1668
P6278
P5688
P3799
P4282
P5568
P5755
Atom O of residue 16
P7391
P8102
Atom CE2 of residue 4
Atom HG2 of residue 2
P7598
Atom CA of residue 20
P6189
P3270
P13317
P4380
P6153
P1361
P7205
P8008
Atom OG1 of residue 66
P5928
P2359
P2078
P7850
P4950
P3222
P1527
P6676
P2508
P2911
P3501
P7915
P12450
P5286
P4771
P8168
Atom HB2 of residue 33
P5017
Atom HG21 of residue 5
Atom CG of residue 16
P6309
P3090
Atom HA of residue 32
P1426
Atom HG21 of residue 70
P7656
P1926
P3232
P5494
P2588
P3315
P4590
P2642
P7419
P1984
P2528
P5661
P10408
P3417
Atom HB2 of residue 65
P4599
P13089
Atom CB of residue 31
P5317
P5531
P2573
P7457
P6189
P11120
P4781
P1869
P5505
P1644
ASP
P2527
P9052
P2222
P4605
P2372
P6028
P3731
P6691
Atom OD1 of residue 25
P7326
P2583
P3581
P3571
P3702
Atom HB2 of residue 19
Atom HG2 of residue 33
P4107
P3608
P6556
P5569
P4787
Atom HB3 of residue 27
P2643
P1674
Atom CD2 of residue 67
Atom HG21 of residue 3
UnaryFunction23
P2366
P4122
P3076
P22
P1362
P3587
P7917
P2493
P7138
P5371
Atom HA3 of residue 53
P2319
P8180
P11809
P5180
P6746
P4010
Atom O of residue 11
Atom CG2 of residue 66
Atom CG2 of residue 55
P3565
P1537
P3607
P5689
P5569
P2071
P7392
Atom CG1 of residue 61
P5713
P4312
P7599
P2846
P6154
P4628
P7206
P8009
P8230
P7205
P5929
P2360
P1669
P4951
P6375
P7478
P1967
P2509
P494
P6558
P5019
P5504
P12451
P7697
P5287
P0
P3800
P4283
P5756
P7130
P6651
P8103
P2096
P6310
P2079
P3271
P4381
P1811
P8038
Atom H of residue 2
P1479
P6984
P3223
P2912
P5662
P5532
Model 101
P7916
P1427
P7851
P7458
P4772
P1414
P8169
P1927
P5018
P3091
P5506
P2387
P2529
P3233
P3502
P2589
P3316
P4591
Atom HB of residue 9
P2643
P7420
Atom HG22 of residue 70
Atom HA of residue 38
ListSingletonContainer130
P3418
P4600
P2574
P2320
P6677
Atom HB3 of residue 65
P8605
P4782
P8231
Atom ND2 of residue 25
P1968
P4606
P221
P2494
P1870
P3732
P6692
P7657
P6190
P1645
P6279
Atom HG3 of residue 33
P2367
P6190
P7327
P8181
P2584
P5181
P3582
P2223
P7298
Atom HB2 of residue 49
P6029
Atom H of residue 55
P3572
Atom HB of residue 5
P1538
P6376
Atom HG3 of residue 38
P3703
P4108
P5495
P3609
P10409
P1363
Atom C of residue 46
P1377
P4788
P2644
P1675
Covariance1DFunction 89
P1985
P3161
P4123
P3588
Atom N of residue 58
P5315
P2097
Atom HB2 of residue 21
P7139
P2072
P11121
P7843
P6747
P4011
P13090
Atom N of residue 63
P5570
P6559
Atom HA of residue 2
P5505
P7698
P3566
P3608
P5690
P7479
P9053
P7131
P6652
ListSingletonContainer551
P7918
P5714
P4313
P7600
P1480
P8039
P2847
P2510
P4629
P6557
P8010
P7206
P6985
Atom HE1 of residue 4
P4952
P5570
P7393
P7299
P2373
P5020
P425
P7917
P5288
P3801
P4284
P1812
P11811
Atom C of residue 46
P1364
P7207
P153
P5930
P2361
P1480
P3272
P6280
P4382
P6204
Covariance1DFunction 32
P1415
Atom HB3 of residue 38
P3224
P2528
P1523
P2913
P1339
P1980
P5372
P4773
P6678
P5663
P8606
ASP
Atom HB3 of residue 49
P3092
P7459
P3234
P5757
P2590
P3317
P4592
P8104
P5533
Atom H of residue 66
P2644
P1670
P7421
P7658
P0
P6191
P7328
P6155
P3419
P4601
Atom HB3 of residue 21
P2575
P5507
Atom HG23 of residue 70
Atom H of residue 10
P10410
Atom CB of residue 46
Atom O of residue 46
P4783
P8232
P12452
P2388
Atom HB2 of residue 74
P1986
P8170
P5019
P4607
P5320
P6311
P3733
P1428
P2080
P6693
P7852
GLY
P1928
P6191
P2585
P2511
P3583
P11122
Atom HG of residue 65
P6748
P13091
P5571
Atom HB2 of residue 32
P3573
P3567
P6377
P3704
P3162
P0
P4109
P5496
P3610
P1365
P7919
P4789
P2645
P1676
Atom HA of residue 55
P7699
GeneralizedGuinierPorodFunction 45
P2321
P2368
P4124
Model 236
P3503
P6558
P3589
P2098
P7207
P5373
P5571
P4012
P7394
P7300
P2374
P1378
P6560
P1481
P3609
Atom HA2 of residue 10
P2530
Atom HH12 of residue 42
P9054
P202
P7132
P7844
P6653
P7208
P5506
P2495
P5715
P4314
P8040
P2848
P4630
P6030
P1871
P6986
P7480
Atom HA of residue 66
P5021
P428
P7140
P5289
P1646
P3802
P4285
P8182
P2224
P6312
P3273
P6281
P5691
P4383
Atom NZ of residue 33
P6205
P5758
P5182
P8105
P5321
P5534
P1981
P7918
P7601
P3225
P6156
P2914
LYS
P8011
LEU
P5508
P4953
P4774
Atom HH22 of residue 42
P6679
P1969
P1366
P3093
P12453
P1539
Atom HB3 of residue 74
P8171
P1524
P3235
P5020
P2591
P3318
P4593
P8607
Atom CA of residue 58
P2645
Atom HG2 of residue 49
P2362
P2081
Atom HG2 of residue 11
P7422
P1929
P11810
Atom H of residue 46
P2073
P3420
P11123
Atom N of residue 66
P4602
P2576
P1481
P1671
P6192
P5497
P10411
P4784
P5931
P1678
Atom N of residue 22
P1430
Atom N of residue 71
P2529
P7329
P4608
P495
P3734
P6694
P7853
P1813
P2586
P68
P5664
P3584
P2099
P2497
Model 132
P3574
P3568
P7460
P1416
P3705
P4110
P9055
P3611
P5572
P4790
P2646
P1647
P2322
Atom CA of residue 3
P4125
P6559
P6749
P3590
P2225
P7920
P2375
P8233
P5374
Atom HB3 of residue 19
P2389
P6378
P2531
P5183
P4013
Atom HB3 of residue 32
P7141
P5290
P7659
P3610
P6192
P8183
P5572
Atom CB of residue 46
P7395
P7301
P5318
P7208
P5716
P1872
P4315
P0
P5692
Atom HA3 of residue 10
P2849
P4631
P7209
P6031
P7919
P7700
P7602
P0
Atom HG2 of residue 38
P3163
P7481
P8012
P5022
P5932
P4954
P3803
P4286
P2074
Atom HB of residue 66
P6561
P6313
P12454
P1540
P3274
P4384
P6206
P5759
P7133
P6654
P174
P8106
Atom HG2 of residue 19
P1482
P3226
P8041
P2512
P2915
P3504
P1367
P1356
P5535
Atom CE1 of residue 4
P154
P5507
P2496
P6987
P4775
P1987
P1814
P6157
P7845
P5319
P2321
P2365
P3094
P5509
P8172
Atom CD1 of residue 45
P3236
P7330
P5021
P11812
P2592
P3319
P13095
P4594
P2646
P1482
P7423
P7854
P7660
P6282
P6681
P3421
P4603
P2577
Atom HG3 of residue 11
P2392
P2055
P8608
P4785
Atom HG3 of residue 49
P1431
P2082
Atom O of residue 46
ListSingletonContainer28
P6750
P4609
P8234
P3735
P6695
LEU
P6193
P6379
LEU
P5498
P2587
P5665
P3585
P1368
Atom C of residue 58
THR
P3569
P7461
Atom HG3 of residue 38
P3706
P2323
P8184
P3612
P4791
P7209
P2647
Atom N of residue 33
Model 377
P4126
P1970
P10412
P11124
P3591
P1982
P6032
P1418
P6682
P9056
P5184
P4014
Atom CA of residue 63
P1357
P7142
P3575
P1648
P3611
P2530
P6193
P2226
P6562
P5717
P4316
P1672
P7701
P5693
P3164
Atom CB of residue 46
P2370
P2850
P4632
P7134
P6655
Atom H of residue 46
P426
P7603
Atom C of residue 67
P8042
ListSingletonContainer131
P6560
P13096
P5573
P8013
P5023
P1679
P7920
P6988
P5375
P4955
P2390
P3804
P1988
P4287
Atom N of residue 46
P2
P7921
P2376
P5829
P1541
P3275
Atom HG2 of residue 74
P1483
P4385
P2532
P1930
P11813
P6207
P3505
P7846
Atom CB of residue 58
P6283
P3227
P6683
P5573
P2916
P2075
THR
P1369
P7396
P7302
P5508
Atom HG3 of residue 19
P4776
P7482
P5760
P7210
P8609
Atom HE21 of residue 49
P3095
P12455
P7462
Atom N of residue 43
P3237
P2593
P3320
P2647
P6314
P1873
P5291
P7424
P7661
P6194
P2
P1815
P5499
P7331
P6158
P5666
P3422
P4604
P8107
Atom CD2 of residue 4
Multivariate Normal distribution 26
P1983
Atom NE of residue 42
P2578
P2513
P4786
P5933
Atom CA of residue 71
P7855
P199
P10413
P11125
P4610
P223
P1354
P5536
P1680
P3736
P6696
P1673
Atom CA of residue 11
P8173
P6684
P2056
P5022
P9057
P2588
P3586
P6751
P1432
P5510
P2083
P3570
P1
P3707
P2531
P1931
P3613
P496
P4792
P2648
P2366
P1543
Atom HD2 of residue 38
P4127
P6194
P3592
Atom C of residue 63
Atom HB of residue 22
P7210
P7135
P6561
P4015
P1370
P3576
P5376
P3612
P8185
Atom CA of residue 66
P6563
P6033
P5718
P4317
P7702
Atom HG3 of residue 74
P1971
P2851
P4633
P7847
P6656
P1355
P1483
P1649
P6380
Atom H of residue 46
P6685
P8043
P2227
P5574
P2377
P8235
P5024
P5509
P6989
P5292
P3805
P1989
P1310
P4288
P2533
P5761
P5186
P7922
P5830
Atom CD of residue 42
P12456
P7143
P3276
P4386
LEU
P11814
P6208
P6315
P1874
Atom O of residue 22
P1419
P5694
P2324
P3228
P6159
P5574
P2917
P2076
P7397
P7303
P8108
P2498
P7604
P2391
P4777
P2371
P7483
ListSingletonContainer29
P2514
P3506
GaussianProcessInterpolation10
P7211
P8014
P5934
P3096
ILE
P7856
P4956
P3238
P2594
P3321
Atom HA of residue 46
P2648
P1681
P7921
P7425
P1544
P8174
P5023
P3423
P4605
Atom HE3 of residue 27
Atom HG21 of residue 22
P2100
P2579
LYS
P5500
P13092
P4787
Atom HZ1 of residue 6
Atom C of residue 11
P3165
P1816
P5667
P10414
P4611
P226
P5537
P8236
P1984
P3737
P1433
P2084
P6697
Model 173
P1484
P2589
P3587
P11126
P5511
P1484
P4595
P7662
P6284
P3708
P9058
P8186
P3614
P4793
P2649
P6034
P1674
P4128
P7332
P1371
P3593
P8610
P1358
P155
Atom C of residue 71
P6381
P1932
P2057
Atom C of residue 66
P6562
P4016
Atom HZ2 of residue 27
P5575
P3577
P6195
P3613
P6195
P1972
P7923
P5831
P5719
P4318
P7144
P1650
P2532
P2852
P4634
P6752
P2228
Atom CG of residue 58
P2367
Atom HA of residue 6
Atom HG12 of residue 3
P5695
Atom HB2 of residue 38
Atom HA of residue 46
P5575
Atom HB1 of residue 46
P7398
P7304
Atom CB of residue 63
P5025
P2611
P5293
P7605
P7463
P3806
P4289
P7136
ListSingletonContainer552
P7212
P8015
P2101
P7211
P4957
P3277
P1420
P2325
P4387
P7484
P11815
P6209
P1372
P1359
P6564
P5510
P5935
Atom CA of residue 33
P7703
P6285
P3166
Atom HG22 of residue 66
P3229
P5762
P2918
P6657
P13093
P8109
Atom H of residue 22
P1485
P4778
P8044
P2077
P3097
P6990
P5377
P1545
P1990
P3239
P5668
P2595
P3322
P5538
P2649
Atom HD2 of residue 74
P7922
P7426
P7857
Atom N of residue 20
P8175
P6686
P3
P5024
P5185
P3424
P4606
P5512
P1742
P4596
P7663
P1817
P4788
P2378
Atom HG22 of residue 22
P427
P1309
P1973
P1373
P8611
P4612
P8237
P1682
P3738
P12457
P6698
Atom CB of residue 71
P2372
P2590
P2515
P3588
Atom HZ3 of residue 27
Atom OD1 of residue 58
P6316
Atom OG1 of residue 51
P1485
P6196
bonded
P3709
P2534
P3615
P6160
P3507
P4794
P1985
P2650
Atom HD2 of residue 74
P2533
P4129
P2058
P7333
P7848
P3594
P1360
P1334
P6035
Atom HB of residue 22
P6382
SER
Atom HB1 of residue 46
P5501
P10415
P4017
Atom CG of residue 63
Atom HG13 of residue 3
P2499
P2612
P1675
P3578
P5378
P3614
P6196
P5832
P5720
P1875
P4319
P7145
P2393
P1933
P2853
P11816
P4635
P11127
P6753
P1374
P5576
P6565
P5511
P7704
P5696
P9059
P7137
P6658
P7924
P5026
P1429
P7606
P7464
P3807
P4290
P8045
P6563
Atom HB2 of residue 46
P8016
P7212
P2085
P6991
P1743
P4958
P3278
P1334
P4388
P8187
P6210
P5576
P7849
P7399
P7305
Atom CB of residue 50
P6317
P7923
P6286
Atom O of residue 11
P3230
ListSingletonContainer132
P2919
Atom O of residue 66
P7213
P497
Atom CG2 of residue 70
P1694
P4779
P7485
P2379
P1876
P3098
Atom CG2 of residue 51
Atom C of residue 46
P5295
Atom HH21 of residue 42
P3240
P5187
ListSingletonContainer301
P2596
P3323
P1361
P2650
P12458
Atom C of residue 33
P7427
P6687
P2373
P5669
P3425
P4607
P5936
P1834
P8330
P4597
Atom CA of residue 13
P3167
P2535
P6161
P5763
P13411
P2229
P4789
P8110
P224
P5539
P2500
P2613
P1487
P1486
P7334
P1375
P4613
P3739
P6699
Atom O of residue 71
P1653
Atom CA of residue 20
P2326
P2591
P10416
P3589
P1575
P8612
P1986
ScoreState 34
Atom CG2 of residue 30
P1546
P3710
P8176
P5025
P3616
P1
P2078
Model 308
Atom OD2 of residue 58
P5833
P4795
P5513
P7858
P6197
Atom CB of residue 11
P1991
P4130
P6754
P3595
P5577
Atom H of residue 22
Atom HD3 of residue 74
P1676
P6383
P2112
P5502
Atom CD of residue 5
P4018
P7925
P8238
Atom HG1 of residue 22
P3579
P5379
P3615
P6564
P176
Atom HH21 of residue 72
P156
P7213
P5721
P4320
P7664
P8188
P2854
P2516
P5577
P4636
P11128
P7850
P7400
P2170
P7306
P6566
P2102
P8331
P7705
P9060
P201
P3508
P7138
Atom CB of residue 66
P6659
P7214
P5027
P5512
P2086
P3808
P4291
P2534
P8046
Atom O of residue 1
Atom CD1 of residue 50
P6036
P6992
Atom O of residue 46
Atom HD3 of residue 74
P1417
P4389
P6688
P6197
P1974
P6211
P5188
Atom HB of residue 5
P12459
Atom HE1 of residue 4
P7146
P3231
P2920
P1684
P0
P1835
P1877
P1744
P2394
Atom HB3 of residue 74
P4780
P5697
P7486
P5764
P1380
P13412
P8111
P1362
P5540
P6318
P7924
P3099
P1488
P7607
P3279
P3241
P2059
P2597
P3324
P8017
P2651
P7428
P4959
Atom OE1 of residue 18
P2327
P3426
P4608
Atom HD3 of residue 27
P2380
P5937
P4598
P7665
P6287
P8177
P5026
P11817
P4790
P2581
P1654
P1487
P7465
MET
P6689
P6162
P2230
P4614
Atom CA of residue 48
P3740
P6700
Atom CD1 of residue 30
P1547
P6384
P3168
Covariance1DFunction 33
P2536
P5503
P2592
P10417
P2079
P3590
Atom O of residue 63
P8239
P2103
Model 118
P5294
Atom HG3 of residue 74
P3711
P2374
P7335
P3617
P1381
P1363
P4796
Atom HA of residue 71
P7859
P4131
P2113
P8189
P5670
P11129
P3596
P8613
Atom CG of residue 11
P1992
P9061
P3509
P4019
P5578
P2501
Atom O of residue 51
P5514
P3580
P6198
P3616
P2548
P6565
P6755
P7926
P5722
P4321
P7466
Atom N of residue 48
P2855
P0
P4637
P1574
Atom HG22 of residue 7
Atom HG11 of residue 5
P8332
P7147
P2060
P5578
P7851
P7401
P2171
P7307
P5028
P7214
P5698
P3809
P4292
P136
P1382
P7215
Atom O of residue 58
P1364
Atom HE of residue 74
P6037
P7925
Atom O of residue 33
P5380
P7608
P4390
P6198
P11818
P6212
P5189
P8018
P1987
Atom CD1 of residue 45
P4960
P3232
P1557
P1934
P2921
Atom C of residue 42
P6567
P5938
Atom HG21 of residue 22
P1
P7706
P6288
P4781
P2517
P5765
P7139
P4
P6660
P8112
P3100
ASP
P1677
P2395
P3280
Atom CA of residue 48
P3242
P8047
P2598
P3325
P5834
P5541
P498
P2652
P5513
P1685
P1836
P12460
P2087
P6993
P7429
P1745
P2535
P1975
P3427
P4609
P2381
P1489
P7666
Atom HE of residue 74
P1488
P7467
P8178
P7336
P5027
P48
P4791
P1365
Atom C of residue 48
Atom HG2 of residue 6
Atom HH11 of residue 74
P2582
Model 152
P7860
P1993
P3169
P2328
P7487
P2114
Atom H of residue 5
P8614
P4615
P2319
P1878
P3741
P6701
P5296
Atom HD2 of residue 74
Atom HD22 of residue 8
Atom C of residue 17
P2537
P6690
P2593
P3591
Atom CD2 of residue 50
P5515
P4599
P6199
P2549
P3712
P3618
P6163
Atom OG1 of residue 66
P6756
P1383
P4797
P6320
P4132
P5504
P5671
P3597
P6038
P4020
P7215
P3581
P3617
P10418
P11130
P1576
P2231
P1366
P5835
P5723
Atom CB of residue 51
P4322
Atom HA of residue 46
P5381
P1548
P9062
P8190
P2856
P2518
P4638
P13413
P1838
Atom CB of residue 33
P7148
P6199
Atom HA of residue 9
P225
P6568
P5029
Atom HG22 of residue 22
P1486
P7707
Atom CG of residue 71
P3180
P5699
P3810
P4293
P2375
P3510
P7140
P6661
P8240
P1988
P7609
P1651
P4391
Atom C of residue 48
P1558
P1935
P2061
P8048
P11819
P6213
P5190
P6566
P5579
P8019
P2502
P1686
P7926
P12461
P6994
P4961
P3233
P2922
P2080
Atom C of residue 52
P7927
P1678
P2547
Atom H of residue 30
P6385
Atom HH11 of residue 74
P4782
P45
Atom CB of residue 42
P1384
P1577
Atom H of residue 50
Atom O of residue 48
Atom HG3 of residue 6
P3101
P2088
P1746
P3281
Model 210
Atom CB of residue 33
P3243
P5579
P2599
P3326
Atom CG2 of residue 66
P7852
P7402
P7308
P2653
Atom CA of residue 39
P8333
P5297
P7430
Model 260
P3428
P4610
P7216
P2172
P157
P6164
P13414
P4792
P2382
P5514
P429
P1839
P2583
P1879
Atom HG23 of residue 12
P7488
P5505
P7337
P5766
P5672
P10419
P4616
P8113
Atom HH12 of residue 74
P5939
P3742
P6702
Atom HB1 of residue 46
P6691
P2594
P3592
P8241
P5516
P7861
P4600
P2396
P3713
Atom O of residue 17
P2329
P2538
P3619
P11131
P5542
P4798
P2104
P7667
P6289
P8179
P2536
Atom CD of residue 33
P4133
P5028
P9063
P8191
Atom HB1 of residue 28
P6757
P3598
Atom CG of residue 6
Atom NZ of residue 96
Atom HA of residue 30
P6386
P1976
P2519
P4021
P2232
Atom HA of residue 5
P3582
P1549
P3618
Atom HD23 of residue 8
P2081
Model 94
P5836
P7216
P6319
P5724
P4323
Atom CD1 of residue 71
P2857
P5191
P4639
Atom NZ of residue 1
P6567
P2503
P1687
Atom CG of residue 33
Atom H of residue 74
P1489
P2376
P2115
P8615
P6569
P5030
P7708
P3181
P3811
P3170
P4294
P7141
P6662
P7928
P7669
P6200
P4392
P6200
P8049
P6214
Atom HB3 of residue 28
Covariance1DFunction 8
P90
Atom O of residue 52
P5580
P6995
P8334
P3234
P2923
Atom HB of residue 5
P5940
P7149
P1652
P6290
P7468
P4783
P2062
P1
P2
P5515
P3102
P5700
P3244
P5580
P5767
P3511
P2600
P3327
P7853
P7403
P2173
P7309
Atom HA of residue 50
P8114
Atom HG23 of residue 7
P2105
P2654
P5382
P5298
P7610
P7431
P1759
P2550
P7489
P11821
P3429
Atom H of residue 66
P4611
P7217
P8020
Atom CD of residue 48
P5517
P7862
P4962
P1994
P13415
P4793
P6039
P432
P2584
P7927
P8180
P5029
P10420
Atom N of residue 42
P4617
P1989
P3743
Atom N of residue 97
P6703
P2330
P5506
P1977
P2595
P3593
P8242
P1840
P12462
Atom HB2 of residue 46
P4601
P3714
Atom CE of residue 33
P6692
P2377
P2063
P3620
P5673
P137
P5543
P4799
P1679
P1559
P1936
P4134
P11132
P3599
P1688
P6387
Atom H of residue 47
P2116
P9064
P4022
P8616
P7929
Atom HA of residue 22
P3583
Atom HB of residue 30
P1747
P2397
P3619
P3171
P7338
P2383
P499
P5725
Atom C of residue 39
P4324
P2089
P5383
P6201
Atom HH12 of residue 74
P1490
P2537
P2858
P6165
P4640
P6568
P2
P5581
Atom HH21 of residue 74
P1995
P2082
Atom C of residue 37
P7404
Atom N of residue 8
P1309
P5031
P7150
P3182
P7469
P3812
P4295
P2539
Atom N of residue 16
Atom N of residue 29
P6758
P6321
P7670
P5701
P4393
P6201
P6215
P5581
P7854
P7310
P5837
Atom CG of residue 6
Atom CD of residue 33
P7611
P1760
P2551
Atom HD13 of residue 8
P3235
P8192
P2924
P7218
P8021
Atom CE of residue 48
P2504
P7217
Atom HD11 of residue 43
P4963
P6291
P4784
P1578
P6570
P5516
P3103
P6996
P7709
Atom CD2 of residue 71
P1550
P6693
P3245
P2520
P5768
P2601
P7142
P3328
P6663
P8115
P1990
P2655
P7928
LYS
P5299
P7432
P1560
P1937
P8050
P3430
P4612
P2233
P12463
Atom O of residue 39
Atom HH21 of residue 74
P5674
P5192
P4794
P5544
P6040
P2585
P5518
P8335
P1680
Atom CB of residue 46
P7863
P8181
P7490
P5030
Atom HA of residue 66
Atom CB of residue 52
P4618
Linear1DFunction 29
P158
P1948
P3744
P2090
P6704
P2538
P2596
P3594
Atom CG of residue 50
Atom CB of residue 5
P4602
P3715
P3621
P3512
Atom HA2 of residue 10
P4800
P7721
P4135
P6166
P11820
P3600
Atom HH22 of residue 74
P1748
P2064
P1978
P4023
Atom HA of residue 37
P2384
P2547
Atom CD of residue 6
P3584
P1552
P3620
P1317
GLU
P7339
P13416
P8617
P8243
P6322
P5941
P5726
Atom HA of residue 11
P4325
P5384
P7470
P5507
P2859
P4641
P10421
P1579
P2174
Atom CG of residue 52
P5838
P7701
P6202
P2540
P5064
P8193
P5032
Atom HD21 of residue 43
P8336
P7151
Model 424
P6388
P3183
P3813
P4296
Atom NZ of residue 33
P11133
P6759
P2234
P5582
P6571
P5517
P1689
P1837
P7929
P6997
P2398
P5702
Atom HD21 of residue 8
P2331
P4394
P2117
P9065
P6216
P5193
P2083
P7143
P6664
Atom N of residue 13
P5300
P7612
P2552
P3236
P8051
P2925
P6569
Atom HB2 of residue 37
P8022
P7218
P12464
P4964
P4785
P5582
P7855
P7311
P3104
P3172
P6694
P3246
P2602
P3329
Atom HB of residue 66
P91
P7219
P2656
P7433
P1491
P6202
P3431
P4613
P2
P2106
P430
Atom CE of residue 33
P7710
ListSingletonContainer133
P4795
P1991
P2586
P1949
Atom CB of residue 39
Model 355
Atom H of residue 71
P6292
Atom HH22 of residue 74
P1561
P7491
P5675
P4619
P3745
Atom O of residue 97
P6705
Atom H of residue 46
Model 15
P1
P2597
P2521
P5769
P3513
P2106
P3595
P8201
Atom HB3 of residue 37
P2175
Atom OD1 of residue 52
P7930
P8116
P5545
P2505
P5942
P1681
P4603
P3716
P1938
P2378
P7340
P3622
P11822
P13417
P8244
P4801
P6323
P2091
P4136
P10422
Atom CB of residue 28
P1580
P3601
P7405
P1690
P8182
P5031
P5065
P8194
P6167
ListSingletonContainer302
P4024
P5519
P3585
Atom HA of residue 23
P7864
P1553
P7702
P6389
P3621
LEU
Atom H of residue 33
P6760
P5583
Atom HE1 of residue 4
P5727
Atom N of residue 16
P4326
P1761
P7471
Atom CA of residue 16
P5508
P2860
P4642
P6041
P4
P0
P1996
P2539
P6570
P8618
P227
P500
P5033
P7219
P8337
P3184
P3814
Atom C of residue 22
P2332
P4297
P2118
P5583
P2084
P11134
P7856
P3
P2235
P7312
Atom HA of residue 4
P6572
P2107
Atom HB2 of residue 11
P6203
P3173
P4395
P6695
P9066
P6217
P5194
P7144
P6665
P4
P7220
P5518
P5385
P1492
P3237
Covariance1DFunction 20
P8052
P2926
ILE
P6998
Atom HG12 of residue 23
P1749
P4786
P2065
P1979
P8202
P2385
Atom CB of residue 48
P3105
Atom NZ of residue 33
P7152
P6293
P3247
P2603
P3330
P2657
P6042
P7434
P2399
P5703
P6203
P5770
P3432
P4614
P7931
P8117
P5839
P5546
P5943
P12465
P7711
P7613
P2541
P2379
P11823
P4796
P8023
P2587
Atom CB of residue 97
ARG
P4965
P2
P2553
P1997
P4620
Atom CA of residue 7
P3746
P6706
P1762
P8183
P1867
P5032
P2598
P3596
PRO
P1992
Atom CB of residue 38
P4604
P3717
Atom CA of residue 50
P1562
P3623
P4802
P2506
P5301
Atom CA of residue 22
P4137
P5509
P10423
P3514
P3602
P7406
P2176
P1691
P1682
P1939
P7492
P5066
P1
P4025
P1581
P8619
Atom HE3 of residue 6
P5520
Atom HD22 of residue 43
GLU
P3586
P7865
P3622
P5676
P11135
P6043
P5728
P7930
P4327
P6204
Atom N of residue 75
P7341
P9067
P1980
P2861
P6168
P4643
P2236
Atom CD of residue 27
P5584
P5840
P1950
P2092
P5386
P2542
P2522
P6571
P6761
P13418
P230
P5034
P6324
Atom HG23 of residue 12
Atom O of residue 60
P1750
P3185
P3815
P4298
P2066
P2386
P159
P2
P7153
P2400
Atom HH11 of residue 54
P4396
P6218
P5584
Atom HG1 of residue 66
P7857
P7313
Atom OD2 of residue 52
P8245
Atom N of residue 24
P7220
Atom H of residue 33
Atom HG13 of residue 23
P7472
P5704
P3238
P2927
P1593
P7221
P7932
Atom HE1 of residue 1
P12466
P1317
P7614
P4787
P3174
P6696
P6204
P5771
P8203
P8024
P3106
P4966
P6390
P1493
P2540
P3248
P12
P2604
P3331
Atom NZ of residue 27
Atom CG of residue 48
P6573
P2658
P2507
P5302
P7435
P1998
P2333
P1868
P2119
P5196
P7145
P3433
P4615
P6666
P8118
P8338
P8053
P11824
P4797
P5547
P5519
P5944
Atom HB3 of residue 11
P2588
GaussianProcessInterpolationRestraint 41
P6999
P1554
P2554
Atom HB2 of residue 51
P138
P13419
P4621
Atom HA of residue 5
P1993
Atom CD of residue 38
P3747
P6707
Atom CB of residue 60
P8184
P1563
P5033
P2599
P2085
P3597
P1582
Atom HB of residue 55
P2318
P1692
P5521
P7712
P7866
P4605
P3718
P3624
ListSingletonContainer510
Atom CA of residue 37
P6325
P7931
P1683
P1763
GLY
P1940
P4138
P6169
P13
P3603
Atom CB of residue 34
P1951
Atom HB2 of residue 71
P2401
P6294
P2380
P7493
P5067
P2523
Atom HG21 of residue 66
P6762
P4026
Atom H of residue 52
P8246
P3587
P6391
P3623
Atom HE21 of residue 49
P5510
P5677
P2177
P5729
P4328
P2093
P7672
Atom HH12 of residue 54
Atom CG of residue 33
Atom HG2 of residue 6
P2862
P4644
P1508
P5841
P7221
P431
P7473
P2543
P10424
P11136
P5035
P3186
P3816
Atom HB3 of residue 51
P4299
P6697
P7342
P9068
P6667
P7154
P3
P4397
P6219
P14
P3515
Atom HG21 of residue 55
P8025
Atom C of residue 13
Atom CD of residue 34
P6574
Atom HG2 of residue 11
P5705
P3239
P2928
P7146
P7407
P2387
Atom CA of residue 24
Atom HD23 of residue 43
P8339
P7615
P4788
P1981
P8054
P6572
P8620
P5585
Atom CD2 of residue 8
P2108
P3107
P7000
P4967
P1555
P6295
P2334
P3249
P2120
P2605
P3332
P2659
PHE
P5303
P7436
P6205
P3175
P6205
P3434
P4616
P8204
P1583
Atom H of residue 27
P5387
P1494
P11825
P5585
P7858
P7314
P4798
P5520
P2589
P7932
LYS
P2555
P1869
P2382
P2524
P5772
P2086
P13420
P7222
P4622
P7933
P0
P3748
Atom CA of residue 97
P6708
P7713
P2600
P3598
P7408
ModelScoringFunction18
Atom CG of residue 60
P4606
P3719
P1999
P2541
P7494
P5511
P3625
P5678
P8119
P6326
P6044
P12467
P4139
P5195
P1509
P3604
GaussianProcessInterpolation73
Atom HA of residue 33
P5522
P1751
P7867
P5069
P91
P10425
P11137
P4027
P2178
Atom O of residue 13
P5548
P8247
P5945
P3588
P1764
P6392
P3624
P8185
P7343
P5034
P9069
P1982
Atom HG22 of residue 66
P6763
Atom HA of residue 52
P2609
P8424
P5730
P1952
Atom C of residue 33
P4329
P2863
P4645
Restraint 52
P228
P2109
P2117
P5388
Atom HB3 of residue 71
Atom HE of residue 72
P7474
Atom CD of residue 63
P5036
P7222
P3187
P3817
P4300
P1941
Model 281
P6573
P6668
P8621
Atom HG2 of residue 51
P4398
GaussianProcessInterpolation4
P1564
P6698
P2381
Atom HB3 of residue 45
P6220
P7409
P6575
P6206
P3240
P6170
P2929
P7147
P8205
Atom CD1 of residue 4
Atom OE1 of residue 34
P5842
P160
P1994
P3
P7671
P4789
P8055
P11826
P5586
P5521
P3108
Atom OE1 of residue 2
P7001
P2402
Atom N of residue 23
P6296
Atom HH21 of residue 54
P3176
P2340
P3250
P5773
P2606
P3333
P7934
P2388
P2660
P2508
P1684
P7155
P7437
Atom O of residue 75
P6206
P3435
P4617
P92
P8026
P2094
P1752
P5706
P2542
P5586
P3516
P7859
P7315
P4799
P8120
P6045
P2590
P12468
Atom C of residue 97
P7616
P2544
P1510
P7223
P4623
Atom HG12 of residue 5
P3749
P5523
Atom HD12 of residue 43
P8340
P6709
P7714
P7868
P4968
P1496
P2601
P3599
P5305
P4607
GLN
P3720
P8186
Atom HD1 of residue 45
P5035
P3626
P5197
P2610
P8248
P4140
P0
P5512
ListSingletonContainer303
P2237
P1551
P1765
P1870
P7495
P5679
P10426
P4028
Atom CE of residue 63
P5549
P5946
P7933
P3589
Atom HG of residue 71
Atom CA of residue 23
P3625
P2000
P1942
P7344
P11138
P5731
Atom HB2 of residue 39
P4330
Atom OD1 of residue 60
P2121
P9070
P2864
P4646
P13421
P3076
Atom O of residue 27
P6328
Atom HB2 of residue 33
Atom CD2 of residue 4
Atom O of residue 33
P5389
P6171
P65
P2087
Atom HG23 of residue 66
P5843
Atom HD2 of residue 4
P5037
P3188
Atom C of residue 62
P3818
P4301
P1565
P6574
P5587
P8341
P6393
P2556
Atom HH22 of residue 54
P4399
P6221
P8622
P7935
Atom NZ of residue 27
P1995
P2509
P1693
P1953
P7156
Atom CA of residue 73
P7673
Atom H of residue 75
P2341
P3241
P2930
P6764
Atom CG2 of residue 55
P8423
Atom HG3 of residue 11
P6207
Atom H of residue 42
P7475
P4790
P5707
Atom C of residue 13
P5070
P5587
P7860
P7316
P2389
Atom N of residue 40
P3109
P12469
P1685
Atom ND2 of residue 60
P7617
P3251
Atom HA of residue 20
P5774
P1511
P2607
P3334
P7224
P2179
P8027
P2661
P7223
P6046
P2095
P7438
P4969
P3517
P3436
P4618
P2238
P6576
P5522
P1753
UnaryFunction31
P2545
Atom HA of residue 65
P6699
P2525
P5198
P7148
P6669
P6150
P4800
P8121
Atom H of residue 9
P2591
Atom HG3 of residue 51
P1983
P8056
P4624
P3750
P7002
P6710
P6297
P1871
P2122
P2602
P5680
P140
P3600
Atom HB3 of residue 16
Atom OE2 of residue 34
P5550
P2110
P5947
P7934
Atom HZ3 of residue 63
P5524
Atom HD13 of residue 43
P7869
P4608
P2403
P3721
P0
P8187
P6207
P7345
P5036
P3627
P2675
Atom HD11 of residue 71
P4141
Atom HD2 of residue 45
Atom HB2 of residue 20
P8206
P13422
P7496
P11827
P2088
Atom N of residue 67
P4029
SER
Atom HB3 of residue 33
P3590
P7715
Restraint 31
Atom O of residue 62
P3626
P5914
P3177
Atom HB3 of residue 65
Atom O of residue 5
P5732
P4331
P6394
P2865
P4647
P7410
Atom H of residue 27
P5304
P7674
Atom HA2 of residue 75
P5038
Atom N of residue 24
P3189
P7476
P3819
P2001
P4302
P5513
P6172
P10427
P6577
Atom CG of residue 2
P2510
P1954
P8342
P2557
P4400
P2383
P6222
P8425
P6047
P7157
P1497
P2
Atom N of residue 52
P3242
P2543
Atom O of residue 13
P92
P2526
P11139
P6765
P5588
P5523
GLN
P5390
P4791
P5071
P9071
P7149
P6670
GaussianProcessInterpolation16
P6151
P2180
P8623
P2111
P6327
P3110
P7618
P1754
P1766
P1943
P3252
P8057
P2608
P3335
P6575
P8028
Atom CA of residue 20
P2662
P7224
Atom HB2 of residue 32
P7003
Atom H of residue 60
P7439
P4970
P1
P6208
P6298
P5588
P2931
P3437
P4619
P7861
P8207
P2105
P7317
Atom H of residue 34
P7935
Atom N of residue 64
Atom C of residue 73
P6700
P11828
P5199
P7225
P2676
P7936
P4801
P229
P5844
Model 310
P1996
P2592
P12470
P1566
Model 81
Atom HG2 of residue 16
P4625
P8423
P1695
P3751
P6711
P5708
P2603
P5775
P3601
P93
P1686
P7716
P4609
P2404
P3722
P2546
P6208
P3628
P5681
P3518
P1512
Atom HG1 of residue 7
Atom CA of residue 24
P2096
P4142
P2123
P7346
Atom HA of residue 63
P7411
P8122
Atom HA of residue 27
P5551
P161
P2511
P5948
P3178
Atom HG of residue 65
Atom HB3 of residue 20
P75
P4030
P2390
Atom HB of residue 12
P3591
P1
P3627
P2544
P1984
P10428
P2677
P5733
P4332
P5306
Atom N of residue 55
P8188
P5037
P2866
P4648
P2089
P8426
P433
P5525
P7870
P7675
Atom CA of residue 75
P6766
P5589
P5845
P5039
Atom HD12 of residue 3
P5391
P1375
P3190
P7477
P3820
P4303
P7497
P2527
P13423
P8624
Atom HG21 of residue 7
P6578
P1767
P1498
P2558
P4401
P1944
P1872
Atom HE1 of residue 45
P6223
P6576
Atom CB of residue 6
P7225
P6209
P3243
P5514
P6173
P68
P5589
P11140
P7862
P7318
P8249
P6329
Atom O of residue 73
P1321
P4792
Covariance1DFunction 40
P6701
P9072
P7150
P6671
P7226
P2239
P7937
Atom C of residue 20
P5524
P3111
P12471
Atom HG22 of residue 22
Restraint 76
P3253
P8058
P1513
P3336
P1596
P1
P6152
P2663
P7004
P7440
P6395
P5776
P2932
P3438
P4620
P8208
P2112
P1997
P7158
Atom HD12 of residue 71
P11829
P5200
P4802
P2593
P8343
P2002
P2545
P1318
P6209
Atom HB2 of residue 63
P4626
P8123
P5552
P5949
P3752
Atom HG2 of residue 33
P6712
P1687
P7619
P2547
P2604
P80
P3602
LEU
P13424
P7412
Atom CD2 of residue 45
P8029
Atom CA of residue 36
Atom C of residue 24
Atom CA of residue 40
P1955
P2097
P7717
P4610
P4971
P1376
P3723
P3629
Atom HB3 of residue 31
P1696
P5307
THR
P8189
P2384
P4143
P5038
P2181
P2391
Atom CD of residue 27
P8250
P7936
ASP
Atom HA of residue 60
P5709
P1569
P3519
P4031
P3592
P6299
P3628
Atom CA of residue 8
P2124
P10429
P2678
P5734
P4333
P6396
Atom C of residue 75
P7498
P2867
P4649
P1514
P2240
P8427
P6048
P436
P5526
P7871
P7676
P2405
ASP
P2385
P5515
P6174
P5682
P11141
P6577
Atom HZ1 of residue 11
P5846
P5040
Atom CA of residue 66
P6330
P3191
P3821
P4304
P1873
P7347
P5068
P9073
Atom HG3 of residue 31
P2090
P1584
P5590
P2559
P3179
P4402
P6224
P6767
P2003
P3244
P1985
GLU
P7159
P1377
Atom HD13 of residue 61
P4793
P1945
P5590
P5201
Atom CA of residue 67
P7863
P7319
P3
P7226
P3112
P8344
Atom HD13 of residue 71
P7478
P3254
P65
P3337
P7227
P7938
Atom CG of residue 34
P2664
P2512
P6049
P1697
P7620
P7441
P6300
P6702
P2385
P2933
P3439
P4621
P7413
P8030
Atom C of residue 66
Atom HG3 of residue 33
P4972
P0
Atom CB of residue 65
P6153
P6579
Atom HD13 of residue 3
P2594
P5392
Atom HE2 of residue 45
P5777
P7151
P6672
P2182
P8625
P4627
P8124
P2113
Atom C of residue 40
P1956
P7937
P3753
Atom C of residue 52
P6713
Atom HB2 of residue 60
P5710
P2605
P8059
P3603
P13425
P1585
P5553
P5525
P5950
P2098
P7005
P4611
P6210
P3724
Atom CA of residue 52
P7499
P6210
P3630
P8210
Atom CE of residue 27
P5308
P1768
P1495
P8190
P4144
P5039
P4943
Atom CG1 of residue 23
P11831
P2528
Atom CA of residue 1
P8251
Atom O of residue 24
P12472
P5527
P7872
P7677
Atom O of residue 61
P2125
P4032
Atom HZ2 of residue 11
Atom O of residue 66
P3593
P1378
P3629
P2320
P162
P1998
Atom CA of residue 1
P5735
P4334
P7718
Atom CB of residue 73
P6397
P2386
P2868
P4650
P3520
P6768
ListSingletonContainer511
P8428
P5516
P1986
P198
P5683
Atom HE21 of residue 31
P92
P2091
P2
P6331
Atom CA of residue 64
P1688
P5393
P3192
P4
P3822
P3180
P4305
P2548
P7348
P2392
P7227
P1755
P7479
P2560
P4403
Atom CD1 of residue 23
P6225
P10430
P11142
P4
Atom N of residue 4
P6050
P1698
Atom HD21 of residue 71
P2406
P3245
P6703
P9074
Atom C of residue 67
Atom NZ of residue 63
P5041
P7160
P4794
P6578
P6154
P5847
P6580
P3113
Atom HD2 of residue 33
P1570
P3255
P7152
P3338
P6673
P8626
P2114
P2665
P1314
P7621
P7442
P1769
P6301
P1946
P1874
P8060
P2934
P3440
P4622
P5591
P8031
P7006
P4973
P2
P6211
P6175
Atom HE2 of residue 4
P2595
Atom CA of residue 55
P2004
P4944
P4628
P1999
P3754
P12473
P6714
P1340
Atom C of residue 52
Atom N of residue 4
P2606
P5591
P3604
P7864
P1586
P7320
P5526
P2513
Atom HD23 of residue 15
P7938
Atom HB3 of residue 2
P8345
P4612
P3725
Atom HA of residue 61
P6211
P3631
P3
P7228
P2183
P7939
Atom CB of residue 24
P7719
P5309
P5711
P2386
P4145
P8429
P2151
P1756
P5517
P5778
P5684
P5202
P4033
P8125
Atom HE3 of residue 1
P1689
P3594
Atom CD1 of residue 73
P3630
P2549
P7349
P5736
P434
P1957
P5528
P4335
P2099
P2407
Atom HZ2 of residue 63
P2869
P4651
P10431
P11143
P5554
P5951
Atom C of residue 64
P8191
P5040
P9075
P6769
P8209
P13426
P2614
P2393
P8252
P6332
P5394
P7873
P3193
P3823
P4306
P11830
P2529
P1515
P5848
P7480
P2561
P4404
P6226
P3527
P2
P2241
P7228
P8346
P6398
P3246
Atom H of residue 23
P6579
P7414
P5042
P6051
P4795
P1571
P6704
P6176
Atom H of residue 63
MD 12
P6581
P3114
P7678
Atom HE2 of residue 1
P1947
P7500
P3256
P2126
P5203
P7153
P3339
P6674
P2666
Atom HB3 of residue 39
P12474
Atom O of residue 52
P7443
P1341
P4945
P8061
P2935
Atom H of residue 31
P3441
P4623
P8627
P5592
P5527
P2514
P7007
Atom C of residue 55
P2387
P1875
P231
P4
Atom N of residue 2
P1705
P2596
P7161
P5310
P6212
P1770
P4629
P2152
P3755
P6715
P2607
P5592
P5779
Atom O of residue 67
P7865
P7415
P7321
P8126
P7622
P4613
P6302
P3726
P3181
P3632
P2092
P94
P7229
P7940
P8032
Atom N of residue 16
P5529
P2100
P7720
P1824
P4974
Atom HB of residue 61
P4146
Atom HZ3 of residue 63
P1987
P6155
P8192
P5041
P3076
P4034
P13427
P2242
P8253
P2000
P6333
P1958
P1690
P3595
Atom HG2 of residue 41
P3631
P2005
Linear1DFunction 7
Atom HG13 of residue 13
P5518
P3528
P1587
P4
P5737
P4336
Atom HD22 of residue 71
P6212
P2870
P5685
P4652
P10432
P8211
P2184
P5952
P7939
P7679
P1342
P6399
P5712
P2550
P7350
P11832
P11144
P2615
P2115
Atom HD3 of residue 33
P3194
P3824
P4307
P2387
P9076
Atom CA of residue 29
P5555
P1699
P2408
P4405
P7501
P6227
Atom CG1 of residue 5
Atom CB of residue 52
P8347
P7874
P3247
P93
P6580
P5593
Linear1DFunction 30
P5043
Atom CG of residue 64
P4796
Atom O of residue 55
P2127
P8430
P3115
P7162
P5395
Linear1DFunction 43
P3257
P6177
P6149
P3340
P6770
P2667
Atom CD1 of residue 59
P7444
P1759
Atom C of residue 26
P7481
P2562
P2388
P200
P2530
P5593
P2936
P3442
Atom CB of residue 67
P4624
P7866
Atom HD12 of residue 73
P7416
P7322
P163
P7623
P6303
P3182
P5204
P3529
P7230
P7941
P8033
P234
P7229
GLU
P2597
P1149
P1327
P4975
P1988
P6156
P8628
P4630
P5849
P6582
P5528
P6052
P3756
P12475
P6716
P6705
P2608
P5780
P2093
P7154
P6675
P8127
P2394
ListSingletonContainer14
P4614
P6213
P1771
P3727
P2006
P4946
P3633
P8062
P1588
P7008
P4147
Atom O of residue 23
P5686
P1516
P8212
P2515
P5953
P1700
P5530
Atom CD2 of residue 73
Atom HE21 of residue 41
Atom CB of residue 26
P5713
P8193
P5042
P11833
P4035
P2116
Atom CG2 of residue 5
P2001
Atom HB3 of residue 2
P3596
P3632
P3
P1573
P1948
P2388
Atom CD2 of residue 69
P2185
P5556
P5738
Atom NH1 of residue 42
Atom CD of residue 64
P4337
Atom CZ of residue 59
P1150
Atom HG21 of residue 13
P1876
P6213
P2871
ListSingletonContainer368
P4653
P8431
P7940
P7875
P7680
Atom HD11 of residue 30
Atom C of residue 29
Atom CA of residue 51
JeffreysRestraint_P0
P5311
P1760
P2409
P3195
P3825
P4308
P5850
P2101
P1691
P5396
P4406
P2551
P7502
P6228
P1517
P6150
P13428
P2147
P7482
P3248
P5519
P2531
P10433
P69
Atom HD13 of residue 73
P5044
Atom CG1 of residue 61
P4797
Atom HA of residue 69
P8254
P1959
P3116
P7163
P7722
Restraint 144
P3258
P3341
P11145
P6771
P5594
P6583
P2668
P5529
P6334
P7445
P0
P2563
Atom CB of residue 55
P1949
P9077
P2937
P7155
P3443
P4625
P6676
P2395
Atom HD12 of residue 3
P435
P7624
Atom H of residue 73
P6214
P6400
P8063
P6178
P61
P6581
P2243
P7417
P8629
P8034
Atom HD12 of residue 3
P7230
P2598
P7009
P1151
Atom HD23 of residue 71
P4976
Atom N of residue 64
P1989
P5594
P7867
P7323
P4631
P2616
P6053
P3757
P8348
P6717
P1772
P3183
P6706
P4947
P2611
P6157
P7231
P7942
P4615
P3
P3728
P3634
P13429
Atom OH of residue 59
P5312
P2389
P1877
P4148
P2128
P5206
P8213
P2002
P7941
Atom HE2 of residue 33
P5714
P6214
P11834
P5687
P4036
P8255
P3597
Atom CG1 of residue 26
P3633
P7351
P5781
P95
P8128
P5557
Atom CG of residue 4
P5954
P5739
P1701
P4338
P1692
P6304
P2007
P1574
P7503
P2872
P4654
P2094
P6151
P8432
Atom C of residue 51
P12476
P7876
P6401
Atom N of residue 5
Atom CD1 of residue 13
P10434
Atom HD21 of residue 73
Atom C of residue 25
P6335
P2102
P3196
P3826
P4309
P2552
P5043
P3530
Atom CG of residue 67
P5851
P2516
P1960
P5531
P2131
P4407
P2389
P6229
P6772
P1589
P2244
P5595
P2148
JeffreysRestraint_P1
P7483
Atom OG1 of residue 55
P3249
P5520
Atom N of residue 13
Atom HB2 of residue 69
P2617
P5045
P7682
P2410
P4798
P6582
P7231
P3117
Atom N of residue 72
P1761
Atom HD12 of residue 30
P3259
GLU
P5595
P3342
P11146
P7868
P7324
P6584
P2669
P6054
P8250
Atom CA of residue 52
P8349
P7723
P7446
P2580
P6707
P9078
P6179
P2938
P7156
P3444
P4626
P6677
P7232
P2186
P7943
P232
P2117
P5530
Atom HE22 of residue 41
P6305
P8064
P2532
Atom CA of residue 23
Atom HZ1 of residue 11
P2599
P7010
Atom HA of residue 73
P3
P1950
ListSingletonContainer280
P4632
P2396
P164
Atom CB of residue 25
P3758
Atom HE3 of residue 33
P6718
P7164
P5397
P5
P3184
P4948
P4616
P3729
P2390
P2129
P3635
P5782
P3531
P1518
P13430
P1590
P8129
P5558
P5955
P5313
P7625
GaussianProcessInterpolation17
P4149
Atom CD1 of residue 67
P8214
P6158
P8035
P7877
P4977
P1990
P11835
P4037
P7418
Atom HB3 of residue 28
P8256
P12477
P3598
Atom HB3 of residue 19
P3634
P1878
P5044
P2095
Atom CZ of residue 42
P5740
P7942
P4339
P6215
P6215
P7352
P2873
P4655
Atom O of residue 64
Atom H of residue 59
Atom N of residue 42
P6402
P0
P7504
P5521
P10435
P6336
Atom HG23 of residue 14
P1152
P3197
P5715
P3827
P4310
Atom H of residue 13
P5205
P3532
P8297
P2118
P1961
P5532
P5398
P1773
P2564
P4408
P1572
P6230
P5688
P11147
P5
P1702
P3250
P9079
P2618
P5596
P8434
Atom NZ of residue 6
P5046
P8242
Atom CA of residue 72
Atom N of residue 26
P4799
P2533
P6152
P6583
P6773
P2245
P8630
P2003
P3118
Atom NE2 of residue 41
P2008
P3260
P7353
P3343
P5852
P2670
Atom HZ2 of residue 11
Atom HZ1 of residue 33
P7165
P7447
P1757
Atom HH12 of residue 72
P5596
P2939
P3445
P4627
P7869
Atom HD22 of residue 73
P7325
Atom NH2 of residue 73
P2517
P7232
P1693
P1153
P6306
P7484
ListSingletonContainer31
Atom HA of residue 13
P11836
P7233
P2187
P7944
GaussianProcessInterpolation49
P6055
P2600
P12478
P7626
Atom CG of residue 73
P3185
P6708
P2390
P8215
P6159
P4633
P8036
P8363
P3759
P6719
P4978
P7681
P2411
P6585
Atom O of residue 51
P7724
P4617
Atom CZ of residue 42
P3730
P1951
P3636
P5783
P1519
P7157
P6678
P1591
P8130
P2397
P7943
P8350
P6216
Atom HA of residue 41
P2553
P4150
P5045
P8065
Atom CB of residue 69
P5559
P5531
P5956
P7011
Atom HG2 of residue 19
P3534
Atom CD2 of residue 67
P4038
P7419
P3599
P7878
P3635
P5716
P4949
P5741
P5533
P4340
Atom HB2 of residue 59
P4
Atom HG2 of residue 2
P2565
P6216
P2874
P4656
P8364
P1703
Atom CG2 of residue 55
P5315
Atom CG2 of residue 55
P1879
P5207
P8243
P1154
P1758
P1774
P3198
P3828
P4311
P6153
P6774
P13431
P8631
P8257
ModelScoringFunction20
P2518
GeneralizedGuinierPorodFunction 30
P12479
Atom N of residue 15
P5399
P4409
P7505
P1
P5522
P6231
P5689
P10436
P5853
Atom HB3 of residue 6
Atom CB of residue 64
P7166
P3251
P1991
P6180
P3535
ListSingletonContainer512
Atom HD23 of residue 73
P2619
P2119
P5047
P2004
P7233
P1962
Atom HZ2 of residue 33
P8351
P6403
P7485
P4800
P2391
Atom HB3 of residue 58
Atom O of residue 64
P2130
P94
P11148
Atom CG2 of residue 9
P6338
P6056
P3119
P6709
P3261
P9080
P2096
P3344
P8232
P2671
Atom N of residue 25
Restraint 134
P1694
P7448
P2009
P2940
P3446
P4628
P6586
P7354
P1520
P7158
P6679
Atom N of residue 74
P2601
P7627
P7683
Atom HB2 of residue 41
Atom HB of residue 13
P8066
P6584
P2246
MET
P4634
P5597
P8433
P8037
P3760
P7012
P6720
P4979
P1952
P2391
P2534
P7420
P2398
Atom H of residue 55
P7725
P1155
Atom C of residue 72
P4618
P3731
Atom H of residue 55
P2554
TYR
P4950
P3637
P79
Atom CB of residue 51
P2548
P6307
P4151
P5597
P3536
P7870
P7326
P5532
P7944
P12481
P6217
Atom HG23 of residue 3
Atom HH11 of residue 54
P1880
P5208
P4039
P7234
P2188
P7945
P3600
P3636
P5717
Atom HA of residue 48
P13432
P8258
P5742
P4341
P2566
P2392
P7506
P2131
P5523
P2875
P5784
P5690
P4657
P10437
Atom H of residue 67
P1592
P8131
P233
P2519
P1862
P5046
P6181
P6160
P5534
Atom O of residue 72
P6404
P3199
P3829
P2010
P3186
P4312
Atom CB of residue 64
P11149
P8216
P5560
P165
P5957
Atom HZ3 of residue 11
P2412
P4410
P9081
P11837
P6232
P2097
P6154
P6775
Atom CG1 of residue 17
P1963
P7879
Atom HG3 of residue 41
P3252
Model 238
P6217
P2620
Atom HG23 of residue 22
P5048
P8352
P7486
P4801
P2392
P7355
P1992
P7234
P3120
P5314
P7684
P3262
P3345
P6585
P8632
P2120
P2672
P6057
P5400
P7449
Atom HB2 of residue 48
P6710
P2
P2941
P3447
P4629
P5598
P6587
Atom O of residue 88
P437
P7726
Atom HG3 of residue 19
P4
P7159
P6680
P2247
P8435
P2602
P12480
P2549
P8245
P7167
P1775
P6308
P8067
P3533
ListSingletonContainer377
Atom CG2 of residue 17
P4635
P5533
P3761
P7013
P6721
P1156
Atom HH12 of residue 54
Atom CA of residue 59
P5598
P5854
Atom HE2 of residue 59
P6337
Atom H of residue 2
P4619
P3732
P4951
Atom CB of residue 25
P3638
P2005
Atom HA of residue 55
Atom CB of residue 72
Atom HA of residue 55
P4152
P5785
Atom HA of residue 67
P7871
P8217
P1594
P7421
P2189
P7327
P8633
P8132
P7628
Model 193
P11838
P5209
P4040
P6161
P7235
P7946
P8038
Atom HB of residue 7
P5535
P1695
Atom HB3 of residue 59
P3601
P4980
P3637
P7356
Atom N of residue 74
P2121
P5743
SingletonScore 2
P4342
P6218
Atom H of residue 12
P2567
Atom N of residue 59
P5047
P2876
P2535
P4658
P96
Atom N of residue 12
Atom HZ3 of residue 33
P1160
Atom HD2 of residue 19
P3187
P2555
P5524
P1993
CHARMMStereochemistryRestraint6
P5855
P6548
P3200
P3830
P2393
P4313
P2132
P5691
P10438
Atom HZ of residue 45
P5561
P5958
Atom CB of residue 88
P7945
Atom HG23 of residue 12
P2413
P5718
P4411
P6233
P2098
P11150
P5599
P2399
Atom HG12 of residue 5
P5401
P7880
Atom CG of residue 41
P3253
P6218
P9082
P3538
P1527
P13433
P2621
P5049
Atom CG of residue 51
P7168
P5318
P4802
P6182
P6155
P8436
P3121
P7685
P1776
P3263
P5599
P3346
P6586
P8259
P2673
Atom HD1 of residue 59
P7450
P1275
Atom CG2 of residue 12
P7507
P2942
P3448
P4630
Atom HH of residue 59
P440
P8365
TYR
Atom HB3 of residue 48
P1881
Atom CG of residue 25
ALA
P95
P6776
P2006
P2520
P2603
P6405
P7487
P7872
P7422
P7328
P4636
P6339
P3762
P12482
P6722
P7727
P7629
P3537
P6681
P7236
P8634
Atom H of residue 17
P7947
P8039
Atom CA of residue 37
P7235
P8353
P1696
P4620
P4981
P0
P3733
P3639
P6183
ARG
Atom CA of residue 11
P6588
P5534
P6058
P1964
P6219
P1659
P6711
P4153
Atom CA of residue 64
P5786
P7160
P8218
P13434
P8133
P8260
Atom CD of residue 51
P7169
P8068
P11839
P5210
P4041
P6549
THR
Atom N of residue 34
P2550
P8244
Atom HB of residue 55
P7014
P3602
P5319
P3638
Atom HB of residue 55
P5692
P1528
P6162
Restraint 119
P5562
P5959
P5744
P5536
P4343
P5719
P2556
P5048
P4952
P2877
P4659
THR
P2
P7881
P6309
P6682
P2248
P5856
GaussianProcessInterpolationRestraint 17
P6406
Atom HD3 of residue 19
P3201
P3831
P2011
P4314
P6219
P6156
P2190
P2400
P7946
Atom CD of residue 41
P4412
Atom H of residue 58
P6234
Atom CD of residue 72
Atom N of residue 13
P2414
P2394
P3254
P7508
P2133
P7357
P2136
P2622
P5050
P166
P8366
Atom HG1 of residue 55
P1882
P2393
P2536
P8437
P3122
P7170
P7686
P7488
P3264
P5525
P10439
P3347
Atom CE of residue 6
P2674
P6340
P7728
P7451
Atom HH21 of residue 54
P2943
Atom CA of residue 46
P2099
P3449
P4631
P8354
Atom HD2 of residue 59
P1777
P3188
P11151
P6777
P6589
P5535
P2604
P6310
P1660
Atom CA of residue 59
P9083
P6184
P7161
Atom HB2 of residue 67
P4637
P8240
P3763
Atom HA of residue 21
P6723
P5317
P7630
P8069
P5211
P6587
P7423
P8040
P2007
P7236
P1965
P7015
P5402
P4621
P4982
P1581
P3734
Atom HG1 of residue 55
P0
Atom C of residue 64
P3640
P3539
P1521
P7329
GLN
P2122
P6059
GLU
P6712
P4154
P4953
P8220
P13435
P7237
P7948
P8261
P2521
P8246
P1697
Atom HD21 of residue 56
P7873
P4042
P2249
P6550
Atom OE1 of residue 51
P3
P3603
P3639
P2012
Atom HG2 of residue 48
P2191
P8635
P5745
P7947
P4344
P5720
P1994
P2878
P5693
P4660
P5600
Atom N of residue 60
Atom HB2 of residue 21
Atom CG of residue 72
Atom CB of residue 19
P2134
P5787
P6683
P6163
P8134
P5563
P5960
P2551
P6407
P3202
P3832
P4315
P2394
P0
P11841
P1161
P7882
P7687
Atom C of residue 8
P3189
P4413
P6235
P5600
P10440
P64
P97
Atom CA of residue 1
P5403
P7452
P6220
P3255
P6220
P7358
P5049
P2100
Atom HB3 of residue 67
P2623
P5051
P5537
P2395
Covariance1DFunction 1
P7509
P6778
P8438
P6
P3123
Atom HG21 of residue 55
P7489
P3265
P5526
P1522
P3348
P4
P2803
Atom CA of residue 60
P6341
P438
Atom CG of residue 19
P2557
Atom CA of residue 25
P2944
P3450
P6588
P4632
P2401
P5857
Atom HD11 of residue 3
P7237
P12483
P7729
Atom HH22 of residue 54
P1661
Atom HG22 of residue 36
P1995
P2537
P3540
P11152
P1338
P7330
P6590
P2123
P6060
P2605
P1162
P6311
P6713
P6157
P7162
P7238
P4638
P7949
P8241
P5536
P3764
P8247
P8495
P6724
Atom HD22 of residue 56
P1778
P8070
Atom N of residue 28
P7016
P5322
P4622
Atom CB of residue 8
P3735
P9084
P3641
P8636
Atom HA of residue 59
P1582
P1883
P4155
P4954
P1595
Atom N of residue 48
P5601
P2008
P8355
P2415
P2013
Atom C of residue 59
P6185
P5788
ListSingletonContainer281
P6684
P4043
P6164
P8135
P5564
P5961
P3604
P7631
P3640
Atom HD11 of residue 36
P2192
P8041
P5746
Atom HB3 of residue 21
P4345
P1698
P7171
P1163
P7883
P4983
Atom HG3 of residue 48
P1615
P2879
P5601
P4661
Atom HE1 of residue 45
P7874
P7424
P5859
P6221
P2395
P7359
P5050
P8262
Atom C of residue 60
Atom C of residue 43
P7948
P2552
P3203
P3833
P4316
P8439
P6551
P1966
Atom C of residue 50
P8496
P3
P4414
P5527
P6236
P2538
P5212
P10441
P13436
Atom CA of residue 48
Multivariate Normal distribution 17
P2804
P2522
P5404
P7453
Atom CD of residue 19
P5721
P3256
P2558
P6221
P2
P8219
P2624
P2402
P5052
P12484
P5538
P5323
P1320
P3190
P5694
P11153
Atom HG of residue 67
P2250
P274
P3124
Atom CA of residue 34
P8356
P6408
P3266
P1523
P6158
P3349
P6342
P7510
P11840
P2945
P3541
P3451
P6589
P4633
P6779
P2124
Atom HA of residue 26
Atom HG21 of residue 55
P2014
P9085
Atom O of residue 6
P2606
P1164
P1779
P1884
ListSingletonContainer30
Atom CA of residue 5
P7331
P4639
P5602
P7238
P3765
P8248
P6725
P7490
P6186
P1333
P7239
P7950
P6061
P7632
P4623
P7688
P3736
P6714
P2396
P2135
P3642
P5213
P8042
TRP
P8250
P2009
Atom C of residue 34
Atom HG22 of residue 55
P4984
Atom O of residue 37
Atom O of residue 59
P4156
P1616
P5602
P2101
P7875
P8637
P6591
P167
P7730
P2416
P6312
Atom CB of residue 45
P1662
Atom HD12 of residue 36
P2396
P5789
P7163
P4044
P8136
Atom HD21 of residue 15
P7949
P3641
Atom HG23 of residue 55
P8071
P5565
P5537
P5962
P6552
P5747
P1967
P0
Atom O of residue 50
P4346
P7017
P7172
P2880
P4662
P13437
P7425
P8263
P2523
P1699
P5320
P7884
Atom N of residue 55
P5722
P5051
P4955
P4223
P0
P2193
P5539
P3076
P6222
P1583
P3204
P3834
P4317
P2251
Atom C of residue 48
Atom O of residue 34
P8497
P6409
P4415
P7360
P6237
P1608
P2805
P6343
P7454
P3257
P2559
P7511
ListSingletonContainer32
P6780
Atom CD of residue 16
P2625
P5053
P7
P5528
P5695
P3542
P8221
P6685
P6165
P3125
P8357
P7689
P3267
P11842
P3350
P7239
Atom HG12 of residue 26
P5321
P7491
P3191
P2946
P10442
P6159
P3452
P11154
Atom HD11 of residue 67
P4634
P6062
P2553
P5405
P6715
P2136
P6222
P9086
P1996
P2607
Atom HG23 of residue 55
P2539
P96
P4640
P6592
Atom O of residue 60
P3766
P8249
P6726
P6150
P6313
Atom CG of residue 45
Atom HD2 of residue 48
P1525
P7164
P8440
P7633
P1165
P4624
THR
P3737
P1885
P3643
P8072
P6187
P5214
P2102
P6590
P6686
P8043
P8242
P5860
P2524
P7018
P4985
P1663
GeneralizedGuinierPorodFunction 63
P2397
P4157
P7876
P7426
Atom CB of residue 34
Atom HD23 of residue 56
Atom N of residue 56
P4956
P4045
Atom CD2 of residue 43
Atom O of residue 5
P12485
P3642
P3543
P2252
P7332
P8638
P5603
Atom HD22 of residue 15
P5538
P6553
P5748
P439
P7950
P4347
P7731
P7361
P2881
P4663
P1864
P7240
P2194
P7951
P2403
Atom NE of residue 72
P1584
P5723
P1997
P4224
P1968
P1166
P2417
P3205
P3835
P4318
P5529
P5603
P5790
P5696
P8222
P6166
Atom HB3 of residue 63
P8137
P7173
P2015
Atom CB of residue 59
P4223
P4416
Restraint 95
P11843
P6238
P2806
P5540
P7455
P6223
P1782
Atom HG12 of residue 36
P3258
P10443
P11155
Atom HD12 of residue 67
P2626
P8243
P5566
P5054
P2010
P5963
P8267
P5406
P2397
P5052
P9087
Covariance1DFunction 58
P6781
P13438
Atom OE1 of residue 16
P8441
P3126
Atom CB of residue 50
P7885
P7690
Atom HG12 of residue 3
P3192
P2560
P3268
P1617
P3351
Atom CB of residue 60
P6151
P7492
Atom CZ of residue 45
Atom HD3 of residue 48
P2947
P3453
P4635
P150
P8264
P7240
P2554
P6223
P6591
P6687
Atom O of residue 48
P2404
P6063
P2608
P12486
P8498
P1700
Atom CB of residue 27
P6716
P3605
P6160
P7877
P4641
P6593
P3767
P6727
P5830
P6410
P4
P3544
P7165
Atom H of residue 43
Atom HG2 of residue 63
Atom CB of residue 5
P1167
P4625
P3738
P7512
P3644
P8073
ListSingletonContainer369
P5604
P5861
P5539
P6344
P7019
P8358
P7732
Atom CA of residue 55
P4158
P5
P1886
P4957
P6188
P4046
P13439
P275
ListSingletonContainer588
Atom CG of residue 34
Atom CZ of residue 72
SER
P2418
P3643
P1998
P2540
P5604
P5791
P7427
P7333
P8138
Atom NZ of residue 11
P168
P5749
P4348
P7634
Atom CG of residue 59
P2882
P5215
P1524
P7241
P7952
P8044
P8265
P5541
VAL
P4986
P1618
P7362
P4225
P3545
P6921
P6314
P3206
P3836
P1664
P2398
P4319
P2137
P5053
P8223
P7174
P6224
P6411
P4224
P4417
P5530
P11844
P6239
P2103
P6167
MD 14
Atom HG22 of residue 3
P2011
P6554
P1969
P7456
LEU
P3259
P5697
P10444
P2627
P5567
P5055
P5964
P1342
P7951
P2109
P5724
P2561
P11156
P8643
Atom CB of residue 48
P8442
P3127
P8499
Atom CG1 of residue 26
P7886
P3269
P6224
P9088
P3606
P6161
P3352
P2253
P2807
P6345
Atom CG of residue 50
P5831
Atom H of residue 45
P2016
P2948
P3454
P4636
P1597
Atom HG23 of residue 3
P2555
P1701
P6152
P7513
P6592
P2195
P5605
P8359
P6688
P4642
Atom HG23 of residue 3
P3768
P12487
P6728
P7692
Atom CG of residue 27
P1585
P6315
P2398
P6189
P7878
P6782
P2405
P2525
P1346
P4626
Model 174
P1822
P7493
P3739
P3645
P5605
P3546
P7428
P7334
Atom HG3 of residue 63
P5407
P7733
P7635
P1887
P4159
P2138
P5216
P97
P7242
P7953
P8045
P7241
P4987
Atom HA of residue 45
P4047
P13440
Atom N of residue 15
Atom H of residue 11
Atom CA of residue 16
P6594
P5540
P6064
P6922
P7175
Atom HG3 of residue 72
P3644
P3193
Atom CD1 of residue 59
P6717
P5792
P1526
P7166
P8139
P5750
Atom CD of residue 34
P4349
P8074
P2883
P2104
GaussianProcessInterpolation42
P8266
P6555
P7020
Atom CA of residue 56
P3077
P2399
P4226
P5698
Atom HD13 of residue 67
Atom CG of residue 43
P5568
P5965
Multivariate Normal distribution 41
P5542
P3207
P5725
P3837
P4320
P5054
P4958
P8224
Model 133
P7887
Restraint 160
P1586
P6412
P1665
P4225
P4418
P1619
P6225
P1999
P11845
P6240
P2254
P8639
Atom HB2 of residue 37
Covariance1DFunction 82
P5832
P7457
P1168
P3260
P2541
P1598
P2628
P5056
P1347
P1970
P7952
Atom CG2 of residue 26
P5408
Atom CA of residue 57
P6168
P3128
P8251
P3270
P7363
P3607
P3353
P2808
P2526
P6346
Atom CA of residue 75
P2949
P3455
P4637
P2196
ASN
Atom HA of residue 21
P7494
P5531
P10445
Atom C of residue 16
Atom OE1 of residue 2
P2012
P7176
Atom HD2 of residue 72
P7734
P7514
P1529
P7167
P4643
P8444
P3769
P6729
P6153
Atom NH1 of residue 72
P2419
P1780
P6316
P11157
P5858
P6595
P5541
P8501
P4627
P3740
P1
P9089
P3646
Atom HD21 of residue 67
P8640
Atom HD3 of residue 63
P7636
P4160
P8075
P6593
P6783
P7429
P8046
Atom HG22 of residue 3
P7242
P7021
P1702
P4988
Atom HG21 of residue 23
P2017
P3194
P2562
Atom CE of residue 33
P6162
P4048
P7335
P5606
P1348
P12488
P8360
P6923
P3645
P6718
P2139
P4959
P8225
P6689
P7243
LEU
P7954
P5751
Atom CD1 of residue 50
P4350
P7691
von Mises sufficient 7
P6225
P2399
P2884
P11846
P7879
Atom CD1 of residue 43
P276
Atom CB of residue 18
P2
P6065
P6556
Atom OE1 of residue 34
Atom O of residue 21
P2420
Atom CD2 of residue 59
P3078
P2542
P5606
P4227
P5699
GeneralizedGuinierPorodFunction 12
P8140
P2407
P7953
P2556
P3208
P5726
P3838
P4321
P6190
P2105
P6169
P8252
Atom HB2 of residue 45
P4226
P4419
P1620
P6241
P5793
P5569
P5966
P8502
P1333
P7458
P1180
Atom C of residue 57
P3261
Atom H of residue 33
P5217
P13441
P1599
LYS
P2629
Atom HE2 of residue 63
Atom OG1 of residue 9
P8267
P5057
P2527
Atom HB3 of residue 40
P5409
P7888
P1888
P10446
P5339
P3129
Atom NH2 of residue 72
Atom HG22 of residue 23
Atom C of residue 75
P3271
P7364
P5055
P2000
P3608
P1530
P3354
ScoreState 17
Atom CG of residue 18
P2809
P5543
Atom CB of residue 21
P8361
P6154
P1587
P6413
P6226
P2950
P3456
P4638
P169
Atom CD2 of residue 50
P7495
P1666
P2018
P5532
P2255
P8642
Atom HB3 of residue 21
Model 329
P7177
P5833
P3547
P7168
P6594
P6784
P4644
P2013
P7243
P3770
P6730
P7735
P1169
P2400
P6163
P11158
P7336
P5607
P6596
P6348
P12489
P4628
P3741
P6719
P7515
P9090
P3647
P122
P7244
P7955
Atom O of residue 16
P5542
P1703
P6226
P1781
P2563
P2400
P4161
P8076
P5218
Atom HD22 of residue 67
P6066
P1378
P1971
P7022
Atom CE1 of residue 59
P5607
P4049
P8141
Atom H of residue 5
P6924
P7693
Atom HD11 of residue 23
P6317
P3646
P4960
P6191
P6690
P2197
P8443
P1326
P5752
P441
P4351
Atom HG22 of residue 55
P2885
P5794
P7880
P5570
P5967
P8362
P7637
P1170
P3079
P2140
P4228
P13442
P8047
Atom HA of residue 7
P8268
Restraint 120
Atom OE2 of residue 34
P2557
Atom HG2 of residue 40
P7889
P4989
P3209
P3839
P4322
P1621
P3548
ListSingletonContainer282
P7430
P8641
P5340
P4227
P4420
Atom HA of residue 33
Atom O of residue 75
P7365
P5056
P6242
Atom CD of residue 18
Atom CG of residue 1
P7954
P8503
P5834
P7459
Atom O of residue 33
P6414
P3262
P1889
P2106
P1600
P2630
P2406
P5058
P6557
Atom HB3 of residue 45
P3195
P2401
P5533
P5700
P10447
Atom CA of residue 14
P4664
P3130
P7178
P2421
P5727
P3272
P3609
P3355
Atom CB of residue 3
P2810
P1379
P5544
P1588
P1667
P31
P2951
P1541
P3457
P11159
P4639
P8226
P3
P2256
P8253
Atom CG of residue 21
Atom HD3 of residue 72
P7516
P9091
P11847
Atom H of residue 50
P5410
Atom H of residue 72
P6318
P2001
P6595
P6785
P6170
P4645
P3771
P6731
P1325
P4629
P1317
P7694
P3742
P3648
P6164
P6691
P2198
P7337
P5608
P7244
P1972
P7496
P4162
P0
P6227
P2543
P3549
Atom N of residue 58
P7881
P99
P7245
P7956
P6067
Atom OD1 of residue 21
P7638
P6720
P4050
P8445
P8048
P6925
P6155
P4990
P3647
P5608
P5219
P6597
P2528
P5753
P444
P12490
P4352
P5412
P7736
P2019
P2141
P2886
P6192
P5795
P7169
P8142
P3
P6347
P1380
P7955
Atom N of residue 57
Atom CB of residue 33
P6227
P5728
P8077
P4229
P151
P1601
Atom CB of residue 67
P5571
P2014
P5543
P5968
P6558
P2558
P7023
P3210
Atom HD1 of residue 45
P3840
P3196
P4323
P2401
P5701
P8227
P7431
P5341
Atom CA of residue 42
P8254
P1313
P7890
P4228
P4421
P5057
P4961
P11848
P6243
Atom CA of residue 58
P2107
P5545
P8500
P1704
P5835
P7460
P3080
P3263
P2564
Atom C of residue 14
P2631
P5059
Atom HE of residue 72
P2422
P2402
Atom H of residue 75
P7366
P1531
P4665
P3131
P1589
P2
P3273
P3610
P3356
P6786
P13443
P6171
P2811
P8363
P1626
P6228
P5534
P2544
P2952
P3458
P4640
Atom HE3 of residue 11
Atom H of residue 8
P7179
P2403
Atom HG23 of residue 7
P8269
Atom HA of residue 37
P6319
P7497
P1890
P10448
P11160
P4646
P2408
Atom HE2 of residue 6
P170
P6068
ClosePairContainer
P1381
P3772
P6732
P1182
P6721
P1622
P9092
P3550
Atom HD23 of residue 67
P8446
Atom HA of residue 11
P6156
P4630
Atom HE3 of residue 48
P7695
P6415
P3743
P3649
P6598
P12491
P5415
P4163
P6228
ListSingletonContainer117
P7170
P8366
P7639
Atom CB of residue 33
P8078
P6165
P6596
P6692
P4051
P2199
P8049
Atom CG of residue 67
P2015
P7024
Atom HE22 of residue 40
P1544
P4991
P3648
P1668
P7882
P13444
P2257
P7432
P6349
P5754
P4353
P7737
Atom HA of residue 72
P7517
P4962
P2887
Atom C of residue 58
Atom HD2 of residue 63
P2679
P1705
P1183
P5729
P2565
P2002
P4230
P7338
P5609
P8270
P5544
P6559
P1973
P7956
P2559
P1627
Atom CG of residue 33
P3211
P3841
Atom HE21 of residue 40
P4324
Atom HA2 of residue 75
P7367
P6193
P2545
P5702
P8228
P7246
P7957
P5342
P7245
P8255
P6926
P2020
P4229
P2403
P4422
P11849
P6244
P5221
Restraint 50
Atom N of residue 8
Atom HB2 of residue 2
Atom H of residue 34
P8371
P7461
P6416
P3197
P3081
P3264
P5535
P5609
P5796
P2632
P8143
Atom HB2 of residue 50
P5060
P2529
P7180
P6229
Atom N of residue 68
P4666
P1351
P3132
P5546
Atom O of residue 13
LEU
Atom H of residue 3
Atom HZ1 of residue 48
Atom CB of residue 70
P3274
P3611
P10449
P150
P3357
P11161
P5572
P5969
P1171
P7498
P1487
P2402
P5058
P9093
P2953
P3459
P4641
P6787
P6172
GridCPF
P5837
P7891
P1891
P2142
P2409
Restraint 585
P1623
P1602
P4647
Atom HB2 of residue 52
P3773
P6733
Atom HB2 of residue 72
Atom HA2 of residue 75
P6229
P6166
P6597
P6693
P8644
P8447
Atom HB3 of residue 50
P2680
P7246
P6069
Atom N of residue 41
P1545
P4631
P7696
P6320
P1669
P3744
P6722
P2003
P3650
P2108
P7883
P2258
P6599
P6350
Atom C of residue 56
P8372
P6157
P7738
P3
P4164
P7518
P7171
Atom CD1 of residue 67
PHE
P12492
P1172
P2423
P8079
P1532
P4052
P5545
P442
P7025
P1590
P3649
Atom HE22 of residue 40
Atom C of residue 60
P6194
P13445
ListSingletonContainer514
P5343
Atom CB of residue 1
P5755
P1352
P4354
P6927
P2021
P4963
P2888
P2016
P1974
P1706
P4231
P5797
P3551
P0
P7433
P7339
P5610
P8144
P8271
P2560
P5416
P7640
P3212
P3842
P4325
P2200
P7958
P8050
P5547
P4992
Atom CG1 of residue 70
P4230
P4423
P2566
P7368
P8268
P6245
Atom CB of residue 55
Atom C of residue 4
P7462
P6417
P3082
P3265
P5059
bonded
P5610
P1603
P7247
P2633
P5061
Atom HB3 of residue 52
Atom HA3 of residue 75
P5536
P4667
P6560
P3133
P1628
P7181
Atom C of residue 73
P1488
P3
P3275
P57
P5703
P3612
P10450
P3358
P8230
Atom CB of residue 1
P5573
P5970
P7957
P8257
Atom CB of residue 13
P1173
P5730
P11851
P2954
P3460
P11162
P4642
P2410
P7892
P7697
P6321
P3198
P9094
P5220
Atom HB2 of residue 16
Atom HA of residue 34
P6230
P2143
P3552
P6173
P8645
P4648
Atom HG of residue 50
P2530
P3774
P6734
P1546
Atom HB2 of residue 57
ListSingletonContainer294
P6598
P8448
P2681
P1349
Atom O of residue 56
P4632
Atom HZ2 of residue 48
P2424
P7499
P1670
P3745
P8269
P3651
P6694
P6351
P8373
Atom O of residue 73
P4165
P6230
P2109
P7884
P6788
P5836
P1591
P1
P7519
P4053
P2259
P7434
P7340
P5611
P6158
P7739
P7641
P3650
Atom HA3 of residue 75
P1
HIS
P7959
P8051
Atom CD2 of residue 67
P5756
P12493
P4355
P6928
P4993
P1312
Atom CG of residue 60
P2889
P1537
Atom OG1 of residue 55
P6600
P5546
P6070
P1174
P6723
P1
P2004
P5611
P4232
P5798
P7248
P2201
P8145
P1350
P2561
P8494
P3213
P3843
P4326
P1892
P8080
P6167
P171
P2017
P7247
P6561
P7026
P1707
P4231
P4424
P1626
P6246
P175
P5704
P5574
P2
P5971
P5548
P7463
P5731
P3083
P3266
P5060
P4964
P3553
P1604
P2634
P5062
Atom CG1 of residue 5
MovedSingletonContainer10
P7893
P2022
P3199
P2567
P7174
P13446
P4668
P8272
Atom N of residue 53
P3134
Atom HB2 of residue 34
Atom N of residue 76
Atom HZ3 of residue 48
P6231
Restraint 54
P3276
P6195
P3613
P3359
P6174
Atom HG23 of residue 3
P2531
P7958
P5414
GLY
P2404
P2955
P5222
P3461
P4643
P8449
Atom HB3 of residue 16
P1975
Atom HG3 of residue 40
P1629
P6418
P7369
P8646
P4649
P5344
P3775
P6735
P7500
P5537
P10451
P100
Atom HA of residue 46
P2682
P7182
P6159
Atom HB3 of residue 72
P4633
P3746
Atom N of residue 41
P8270
P3652
Atom CA of residue 68
P8229
Atom H of residue 67
P6352
P8256
P5838
P1893
P4166
P6231
P11850
P1538
P11163
P6789
P2411
P6601
P5547
Atom CB of residue 73
P2425
P9095
P4054
P1344
P12494
P7642
P6322
P3651
P2144
P8081
P6168
P6599
P7435
P8052
P2018
P7248
P5757
P4356
P7027
P1547
P4994
Atom CG2 of residue 70
P1671
P1489
P2404
P7520
P1627
P2890
P2260
P5612
P6071
P7698
P6724
P4965
P4233
P6695
P7249
P7960
P1708
P3214
P3844
P4327
P3554
P2110
P7885
P13447
P2104
P7341
P5345
P8273
Model 111
P6562
P8374
P1175
P4232
P4425
P6196
P6247
P5612
P5705
P3360
Atom CG of residue 64
Atom CG2 of residue 3
P7959
Atom CB of residue 56
P6929
P7464
P5732
P3084
P3267
P5223
P2635
P0
Atom HD11 of residue 50
P5063
Atom O of residue 1
P1976
P8492
P6419
P5799
P4669
P8146
P5575
Atom HB1 of residue 46
P5972
P3135
P2562
Atom HG2 of residue 72
P3277
P5320
ListSingletonContainer35
P2005
P3614
P7175
Atom HD2 of residue 27
P443
Atom HB3 of residue 34
P1630
P7894
P6232
P1592
P2956
P10452
P3462
P4644
P239
GLY
GLY
Atom H of residue 70
P2572
Atom CA of residue 76
P7370
Atom HG2 of residue 16
P6353
P5549
P8259
Atom HE21 of residue 40
P5839
P1178
P7699
P6790
P2202
P4650
Atom CD of residue 64
P3776
P6736
P7501
P2023
Atom N of residue 60
P1490
P2405
P5538
P8231
P2683
P2532
P8493
P7183
P4634
P6323
P3747
P3653
P11852
P6600
P2412
Atom HB3 of residue 19
P5411
P7740
P1672
P4167
P7521
P5321
P11164
Atom HE2 of residue 27
Atom CG2 of residue 55
P5613
P6602
P7249
P6072
P3200
P1
P6725
P2145
P9096
P4055
P6175
P7250
P7961
P5548
Atom CA of residue 53
Atom N of residue 49
P3652
P8082
P2261
P5758
P4357
P8375
P7028
Atom CG of residue 73
P2891
P5613
P6169
P8647
P8450
P240
Atom CG of residue 56
P6930
P1548
P1894
P2405
P6232
P4966
P4234
P2113
P2111
P6696
Atom HD12 of residue 50
Atom NH2 of residue 14
P3215
P3845
GLN
P4328
P8271
P5800
Atom C of residue 68
P7886
P8147
P5346
P5576
P5973
P6160
P7643
P1179
Model 356
Atom HG3 of residue 72
P7700
P4233
P4426
P2006
P6248
P3361
Atom H of residue 55
P8053
P8260
P7465
P7895
P4995
P2426
P3085
P3268
P6197
P5224
P7436
P7342
P2636
Linear1DFunction 1
P5064
P172
Atom CA of residue 76
P2024
P7371
P4670
Atom HG23 of residue 22
P7960
P3136
P2563
P7184
P1594
P3278
P5322
P11853
P3615
Atom HB2 of residue 46
P6563
P1977
P2406
P5539
P2957
P5706
P10453
P3463
P4645
UnaryFunction24
P13448
Atom CB of residue 42
P2533
Atom HG2 of residue 34
P8495
P5733
P122
P2203
Atom HA of residue 67
Atom NE2 of residue 2
Atom HG2 of residue 19
P5550
P5840
GLN
Atom HA of residue 70
P6233
P11165
P4651
P8274
P2019
P3777
P6737
P1709
Atom CD1 of residue 73
P9097
P6176
P8648
Atom OE1 of residue 64
P8451
P2684
P12495
P4635
P6324
P3748
ASN
P2406
P1624
P3654
P6601
P6791
GaussianProcessInterpolation0
Atom HB2 of residue 38
P6420
P3201
P1491
P2573
Atom C of residue 76
P4168
P3555
Atom C of residue 53
P1631
P7741
P1
P6697
P4056
P1605
P101
P5614
P1177
P7502
P3653
P8272
P7887
P7251
P7962
P242
Atom HB2 of residue 67
P6073
P5759
P4358
P6161
P2690
P7644
P1549
P6726
P5323
P2892
P7176
P13449
P8054
P6931
P4996
P1
P6233
P5614
P4235
P1539
P7343
P6603
P7250
P6354
P3216
P3846
P4329
P5801
P6170
Atom HA of residue 55
P8148
P8275
PairsRestraint 12
Atom N of residue 23
P7961
P2427
P4234
P4427
P1895
P8083
P6249
P3362
P2413
P5577
P5549
P5974
P6564
P8261
P7029
P7742
P7466
P3086
P3269
P7522
P5707
P5225
P7437
OptimizerState 2
P2637
P5065
P8376
P8497
P1332
P7896
P1826
P6421
P5734
P1673
Atom O of residue 41
P4967
Atom CG of residue 68
P4671
P3137
P2580
P5551
P0
P6234
P4
P3279
P6198
P11854
P3616
P5347
P2020
P1978
Atom HB3 of residue 38
Model 153
P2146
P2007
P2958
P1540
P3464
P4646
P2262
P12496
P2112
P6792
P8649
P1375
P241
Atom HB3 of residue 46
Atom HG3 of residue 34
P1710
P5841
P7703
P1625
P5540
P7372
P3556
P58
P4652
P3778
P6738
Atom CA of residue 49
Atom C of residue 21
P143
P1616
P8452
P2685
P0
P1181
P4636
P6325
P7503
P3749
Atom O of residue 76
P2407
P3655
P10454
P11166
P6177
Atom HB3 of residue 67
P6355
P6074
P2691
P2025
P2407
P6727
P4169
P9098
P7177
P2534
Atom CA of residue 56
P8377
P4057
P1
P2204
P6604
Atom HZ2 of residue 6
P1632
P3654
P1492
P6234
P5326
P6171
P1376
P5760
P4359
P7645
Atom HB of residue 70
P1675
Atom CB of residue 41
P8084
P2893
P5829
Atom CD2 of residue 68
P6602
P6698
P13450
P8055
P7030
P6162
P4997
P7523
P4236
P5226
P7888
P7438
P7344
Atom OE2 of residue 64
P7251
P2564
P7185
Atom C of residue 76
P7704
P3217
P3847
P3202
P4330
P1896
P2147
P4968
Atom HB3 of residue 27
P2414
P8276
P4235
P4428
P2574
P6199
P6250
P3363
P1617
P5615
Atom HA of residue 1
P5348
P5550
P6565
Atom HB of residue 23
P7962
P8258
P7467
P1595
P3087
P3270
P8273
P5802
P7252
P2638
P7963
P5066
P8498
P6932
Atom HD2 of residue 72
P1550
P6422
P5735
P2026
P2113
P4672
P1377
P3138
P5842
P2133
P3280
P5541
P5615
P3617
P2263
P8149
P2959
P3465
P4647
GLY
Atom O of residue 53
P1979
P5552
Atom HG2 of residue 38
P6326
P5327
P11855
P10455
ListSingletonContainer283
P11167
P0
Atom HB of residue 55
P5578
Atom O of residue 38
P5975
Atom C of residue 7
Atom CB of residue 21
P9099
P6793
P4653
P3779
Atom N of residue 35
P6739
P7743
P7897
LEU
P2205
Atom CG2 of residue 7
Atom HZ3 of residue 6
P2686
P4637
P7504
P3750
P2408
P7373
P3656
P6356
P12497
P2692
Atom HG11 of residue 70
P2428
P4170
P8274
P6603
P6699
P8650
P173
P6075
P8378
P6235
P1493
P6728
P2008
P3557
P7178
P7889
P4058
P6178
P7345
Atom H of residue 64
P6605
P2021
P7252
P2565
P1596
P3655
P8454
P1378
P5761
ILE
P4360
Atom HD3 of residue 72
P8085
Atom CE1 of residue 68
P5551
P7031
P1711
Atom H of residue 76
Atom CG of residue 41
Atom C of residue 71
P2408
P6235
ListSingletonContainer253
P4237
P5803
Atom HD3 of residue 48
P6933
P7186
P1184
P7705
P3218
P3848
P1676
P4331
P7524
P2148
P4969
Atom HG of residue 67
P2535
P12498
P6163
P3203
P4236
P4429
P6251
P3364
ListSingletonContainer515
P7439
P5616
P8150
phys
P1633
P7646
P7468
P1551
Atom HG3 of residue 62
P3088
P3271
P5324
P7253
P2639
P7964
P8056
P5067
Atom H of residue 53
P8499
P7744
P4998
P11856
P2114
P1606
P4673
Atom HG1 of residue 55
Atom CB of residue 38
P3139
P4368
Atom N of residue 76
P3281
Atom CA of residue 19
P5616
P5708
P3618
P6172
P13451
P8277
P5976
P445
P2429
P5542
P2960
P1543
P3466
P4648
Atom HG13 of residue 17
P6566
P1185
P1897
P7374
P10456
P5579
Atom HG of residue 43
P7963
P6423
P5736
P5227
P11168
P4654
P2415
P3780
P6740
Atom CD of residue 38
P7898
P6236
P5325
P9100
P5
P6200
P3558
Atom N of residue 69
P5349
P2022
P2687
GLY
P4638
P3751
P3657
P100
Atom CA of residue 23
P2693
Atom HE of residue 72
P4171
P8275
P6604
P6179
P8651
P1712
Model 418
Atom O of residue 71
P6700
P4059
P2264
LYS
P1980
P2566
P5553
Atom HE2 of residue 48
Atom C of residue 2
P7745
P5843
P3656
P2027
P2009
P7890
P6794
P7346
Atom HD11 of residue 67
P5762
P4361
P6934
P6164
P7505
P2149
P7440
P5617
P6358
P12499
P1634
P7647
Atom HE21 of residue 62
Atom CA of residue 41
P2409
P6236
P4238
P5709
P7254
P7965
P1351
P8057
Atom HD11 of residue 43
P8500
P4999
P3219
P3849
P4332
ListSingletonContainer102
P1607
Atom CA of residue 47
P6606
P5552
P6076
P5977
P6327
P4237
P4430
P6729
P6252
P5617
P5804
P6173
P7179
P3365
P13452
P8151
P5350
P8278
P7253
P8379
P7469
P1176
P1677
P3089
P3272
P7525
P8086
P5228
ListSingletonContainer483
P2265
P2206
P2640
P8453
P5068
P6567
P7032
Atom C of residue 19
P4674
P5580
P3140
P1428
P7769
Model 16
P6424
P5737
P1494
P4369
P2409
P4970
P1
P3619
P1375
P448
Atom HA of residue 42
P1981
P5554
Atom HH11 of residue 72
P7899
Atom HA of residue 58
P1898
P5328
P6201
P2961
P3467
Atom H of residue 68
P4649
P2536
P2430
P1310
P7375
Restraint 0
Atom HB3 of residue 64
Atom HG21 of residue 17
P7964
P1319
P7187
P5844
P1552
P2010
Atom CG2 of residue 70
P2115
P4655
P2418
P3781
Atom CA of residue 35
P6741
P3204
P1554
P2337
P1352
P2688
Atom CZ of residue 20
Atom HA2 of residue 76
P4639
Atom H of residue 70
P6237
P6328
P3752
P3658
P2694
P1593
P7506
P4172
P5543
P10457
P2023
Model 261
P11857
P5710
P4060
P7254
P2567
P0
P3657
P8087
P11169
P6795
P102
P2207
P6607
P5763
P4362
P7188
Atom C of residue 41
P2410
Atom HB2 of residue 58
Atom O of residue 19
P9101
P3559
P8380
P7648
P2410
P7526
P4239
P6605
P7441
P8652
P8058
Atom C of residue 47
P7033
P5000
P3220
P3850
P4333
P1544
Atom HA of residue 70
ListSingletonContainer475
P2266
P5618
Atom HD12 of residue 43
Atom CA of residue 38
P6077
P1429
P1635
P7770
P1678
P4238
P4431
P1555
P4971
P8276
P6253
P7180
P3366
P6701
P7255
P7966
P8455
Atom H of residue 7
P5351
P1725
P6935
Atom HD23 of residue 71
P7470
Atom HH12 of residue 72
Atom HA3 of residue 76
P2028
P3090
P3273
P5329
P5229
P6174
P7891
P7347
P2641
P5069
P6568
P12500
P1495
P6730
P6237
P7376
P5618
P4675
Atom HG2 of residue 64
P6357
P7965
P3141
P1553
P5738
P4370
Atom CA of residue 31
P3620
P2116
P1349
P6165
P3205
P5805
P2962
P3468
P4650
P8152
P5581
P1
P7189
Atom HA of residue 70
P1
Atom HG22 of residue 70
P6202
P11858
P13453
P1
P5553
P1713
P7746
P5845
P7900
P10458
Atom O of residue 68
P6180
P4656
P3782
P6742
P1
P2431
Atom HG2 of residue 37
P8279
P2689
P2537
P4640
Atom HE22 of residue 62
P6329
P3753
P3659
P6796
P1
P2695
P2
P7507
P4173
P5544
P1350
P1867
Atom C of residue 23
Atom HE3 of residue 48
P6238
P6425
P6606
P4061
Atom O of residue 47
P1726
Atom C of residue 35
P5555
P3
P3658
P1899
P8088
P1545
P5619
P6608
P2024
P6078
P5978
P5764
P4363
P8496
P8277
P9102
P5711
P7181
P7967
P8456
P1
Atom N of residue 72
Atom HB3 of residue 58
P4240
P101
P11170
P2
P13454
P2208
P8653
P5554
Atom C of residue 38
P12501
P7034
P3221
P3851
P4334
P6731
P5619
Atom CE3 of residue 123
Atom HA of residue 5
P2424
Atom HD21 of residue 43
P6359
P6936
Atom O of residue 41
P4239
P4432
P4972
P6254
P1
Atom HB of residue 70
P3367
P6702
P8280
P1714
P6166
P7471
P5001
P6426
P3091
P3274
P5330
P5806
P7892
P7348
P2642
P8153
P5582
P5070
P1636
P7649
P2411
Atom C of residue 31
P1900
P1556
P6238
P3560
P1546
P4676
P8059
P243
P1
P2538
P446
P3142
Atom CD1 of residue 13
P8381
P7901
P4371
P7377
P3621
P6175
P6181
P7442
P1982
P3206
P2963
P3469
P4651
P5352
P7966
Atom N of residue 63
P2411
P7527
P11859
P5231
P2267
P7255
P6569
P7747
P2029
Atom HG3 of residue 37
P2341
P5545
P2011
P10459
P4657
P1345
P3783
Atom HZ1 of residue 48
P6743
P7765
P6239
P5739
Atom HA of residue 20
Model 211
P6203
P1861
P2690
Atom H of residue 35
P5556
P4641
P3754
Atom HZ1 of residue 27
P3660
P5979
Atom O of residue 23
P2696
P1674
P1496
P4174
P2150
P9103
Atom HD22 of residue 43
P5847
P11171
P6607
P6797
P4062
P8654
P2025
P8382
P3659
P2117
P1
Atom CZ2 of residue 123
P6360
P5765
P4364
P8370
P1554
P6330
P6703
Atom HA of residue 64
P5620
P8457
Atom CG of residue 8
GaussianProcessInterpolationRestraint 34
P1727
P5002
P7508
P2
P4241
P7893
P13455
P7256
P7349
P7968
P6079
Atom CA of residue 73
P7748
P7650
Atom CB of residue 41
P3222
P3852
P4335
P6732
P7182
P103
P8060
P246
Atom HG11 of residue 5
P1704
Atom N of residue 47
P12502
P6937
P1430
P1331
P4240
P4433
P6239
P6255
P5620
P6176
P3368
P2209
P8281
P6609
P1637
P7472
P6427
Atom HZ3 of residue 27
P3092
P2412
P3275
P5331
P5807
P5712
P2643
P8154
P5353
P5071
Atom HD23 of residue 56
P7967
Atom H of residue 13
P7190
P6167
Atom HB of residue 70
P2432
P7528
P8278
P8089
P4677
P5583
P6570
P1983
P3143
P7035
P1715
P2030
P4372
P2342
P2012
P3622
P7443
Atom O of residue 76
P7902
P5740
Atom HB2 of residue 20
Atom N of residue 59
P1557
P2151
P4973
P6204
P2964
P3470
P4652
P2423
P1340
P7766
Atom CD1 of residue 45
P5555
P5980
P5557
P1497
Atom O of residue 70
P8656
P4658
P7263
P3784
P6744
P3561
P1547
P6798
P6182
P2268
Atom O of residue 35
P1431
P4642
P3755
P3207
P5546
P7378
P3661
Atom CA of residue 6
P2539
P8371
P2697
P1556
P6331
P4175
P11862
Atom CD of residue 38
ARG
P7509
P8279
P5230
P10460
P2118
P11172
P4063
MolecularDynamicsMover5
P6080
P8383
P3660
P6733
P2412
P9104
Atom HB2 of residue 64
Atom N of residue 57
P5766
P4365
Atom HG11 of residue 70
Atom CA of residue 59
P8458
P6610
P7256
P7749
P5332
P4242
P5713
P6183
P6361
P7191
P7651
P6240
P3223
P3853
P4336
P8090
P6608
P6704
P7257
P2210
P8061
Atom N of residue 68
Atom CB of residue 23
P1728
P7036
P5846
P5003
P4241
P4434
P6256
P1548
ListSingletonContainer284
P3369
P7894
P7444
P7350
P7473
P2433
P3093
P3276
P4974
P2644
Atom N of residue 40
P5072
GaussianProcessInterpolation66
P12503
Atom HZ2 of residue 48
Atom N of residue 28
P6240
P2013
P4678
P5621
P5556
P6571
P7968
P3144
P4373
P7529
P3623
P7969
Atom N of residue 35
P2026
P6938
P6168
Atom C of residue 63
Restraint 32
P5741
P1901
P2965
P3471
P4653
P13456
P8282
P1706
Atom HA of residue 38
P1716
P6428
P3208
Atom N of residue 31
P5547
P5621
P5808
P7183
P7258
P8155
Atom CZ3 of residue 123
P4659
P3785
Atom HB2 of residue 2
P6745
P1432
Atom CA of residue 72
P2031
P10461
P6177
P11173
P5584
P204
P7257
Atom HA of residue 13
P1557
P4643
P7706
P3756
P1498
P7379
P9105
P3662
P6799
P5354
P1638
P2698
P7903
P4176
P11863
P5232
P3562
P8459
GLY
P5558
Atom HZ3 of residue 48
P7750
P7510
P2413
P8280
P4064
P5981
P447
P6241
Atom OE1 of residue 41
P3661
P2413
P6205
P6609
P6705
P6184
P8655
HIS
GeneralizedGuinierPorodFunction 23
P6081
P5767
Atom CG1 of residue 23
P4366
P7192
P6734
P2014
P7895
Atom N of residue 124
P6611
SER
Atom HG12 of residue 70
P1732
P2343
P4243
P5714
P7184
Atom OG1 of residue 55
P2416
GLN
P2540
P6362
P8372
P5848
P3224
P3854
Atom HB3 of residue 20
P4337
P1902
P8091
P7037
P4242
P4435
P6257
P1549
P3370
MET
P5557
P1729
P6939
P6169
P7474
Atom O of residue 63
P6332
P3094
P3277
P4975
P13457
P2645
P244
P5355
P8283
P1707
P5073
P7258
P8384
P1717
P6429
P2152
P6241
P5809
P2119
P7445
P4679
P5622
P8156
P0
P2027
P3145
Atom HA of residue 1
P7652
P4374
P3624
P7970
P8062
Atom HD13 of residue 43
P5004
P2966
P3472
P4654
Atom H of residue 55
ListSingletonContainer516
Atom HD22 of residue 69
P7707
P7530
P7380
P5622
Atom HB2 of residue 38
Atom C of residue 72
Atom HE2 of residue 27
GLN
P5548
P5233
P3563
P4660
GLN
P6572
P3786
P8373
P6746
P2434
P2414
P10462
P2211
P5585
P5982
P7969
P12512
P4644
Atom NE2 of residue 41
P5742
P3757
P1558
P5333
P3663
P6206
P11174
Atom CA of residue 35
P7193
P2699
P7904
P6333
Atom N of residue 21
P4177
P9106
P5559
P1639
P1499
P2344
P4065
P1331
P6363
Atom CG2 of residue 23
Atom N of residue 49
P7751
P5849
P4
P3662
Atom C of residue 59
P11860
P102
P6610
P7259
Atom CD2 of residue 73
P5768
Atom HB2 of residue 1
P4367
P6242
P2153
P6706
P1558
P2032
P3209
P4244
P6178
P7896
P6800
ILE
P7351
Atom HG22 of residue 14
P1708
P8385
P3225
P7511
P3855
P4338
P2120
P7446
P8657
P5623
Atom CA of residue 57
Atom HA2 of residue 35
P1433
P7653
Atom HG22 of residue 70
P4243
P4436
P2414
P6258
P3371
P6185
P7971
P2417
P8063
P6940
P7475
P5005
P3095
P3278
P1903
P8281
P2646
P5356
P6612
P5074
P6082
P6430
P6735
P7531
P5623
P5810
P5715
ListSingletonContainer376
P4680
P8460
P8157
P3146
P1351
P4375
P5336
P8092
P3625
P2541
P6573
P7038
P0
P2967
P3473
P4655
Atom H of residue 73
P5586
P5558
P5983
P5743
P4976
P7185
Atom HA of residue 55
P12504
P7905
P2435
P6242
P5234
P6179
P13458
P7260
P2212
P4661
Atom CA of residue 68
P3787
P5560
P8374
P6747
P1559
P7381
P2015
P11861
P8658
P2028
P7970
P6170
Atom CG of residue 72
P4645
P3758
Atom O of residue 59
Model 82
P0
P3664
P8284
Atom O of residue 40
P1730
P2700
P6334
P1500
P2415
Atom HB2 of residue 32
P4178
P6207
Atom HE of residue 74
ASP
P4066
Atom HD23 of residue 69
P1709
THR
Atom HG1 of residue 14
P5850
P7512
P3663
P5549
P10463
P3564
P7259
P5769
Atom CB of residue 38
P4368
P1718
P1352
P1559
P7708
Atom HG23 of residue 70
P2033
P3210
P6186
P8461
Atom CD1 of residue 23
Atom HA3 of residue 35
P1719
LYS
Atom OG1 of residue 9
P8282
P4245
P11175
P6801
P6613
P6
Atom C of residue 57
P12505
P1434
P6243
Atom CG of residue 41
P3226
P3856
P4339
P9107
P5716
P13459
P7352
Atom HG23 of residue 14
Atom HG12 of residue 5
P206
P1640
P7654
P4244
P4437
P8093
P6259
P3372
P6611
P104
P7261
P7447
P8064
P2542
P7039
P7752
P7476
P1
P5006
P3096
P2121
MET
P2647
P5624
Atom C of residue 35
Atom C of residue 68
P8285
P5075
P6083
P6431
P6736
P2345
P4977
P7
P6180
P7186
P6707
P4681
P3147
Atom CD of residue 72
P2436
P4376
P5337
P3626
P7897
Atom O of residue 55
P6364
P6574
P8386
P3279
P7382
P5624
P2968
P3474
P4656
Atom CA of residue 124
P7972
P5559
P7971
P1738
P6941
P6171
P7709
P5744
Atom HA of residue 73
P7353
P5357
Atom CB of residue 40
P7194
P1353
P2415
P1567
P6243
P5811
P5235
P4662
P8158
P245
P5587
Atom HH11 of residue 74
P2029
P3788
P2
P6748
P2034
Atom CA of residue 66
P1731
P1720
P7906
P4646
P3759
Atom N of residue 33
P3665
P10464
P1719
P2701
P4179
P7532
P7260
P5984
Atom H of residue 23
P6802
P4067
P12507
P5851
P6244
P7513
P3664
P2416
P5550
P2016
P6208
P5770
Atom HG21 of residue 14
P5561
P4369
P8387
P7195
Atom CA of residue 21
P6612
Atom H of residue 16
P8462
P8375
Atom CD of residue 41
P6335
P2154
P4246
P11176
P6187
P2213
P5625
P6614
P6365
P6084
P1641
Atom CA of residue 63
P6432
P3227
P3857
P4340
P6737
P2346
P9108
P5717
P103
P13460
P6548
P4245
P4438
P8094
P6260
P3565
P7187
P3373
Atom N of residue 70
Atom O of residue 35
Atom O of residue 68
P1710
UnaryFunction11
P7040
P7753
P7477
P3097
P9752
P5625
P2648
P8286
P5076
P5560
P6942
P1555
Atom O of residue 47
P4978
P6708
P4682
Atom CB of residue 39
P5358
P3148
P4377
P2416
P8283
P5812
P5236
P3627
P2122
P7898
Atom C of residue 124
P8159
P5588
P7261
Atom N of residue 36
P6548
P1739
P1435
P7655
AngleSingletonScore4
P3211
P1502
P3280
P6244
P2969
P3475
P4657
Atom CB of residue 55
P8065
P12506
P7907
P5007
P7710
P1560
P7383
P7448
P6172
P1340
P7533
P6181
P7973
Atom HE2 of residue 11
P1328
Atom C of residue 66
P5985
P3789
P5562
P6749
P5339
P7354
P8659
P6575
P5852
P4647
P3760
Atom HA2 of residue 47
P2155
P5551
P3666
P6209
P10465
P7972
P7196
P2702
P5745
P4180
Model 282
P1721
P8376
P6336
P2417
ListSingletonContainer371
P11177
P4068
P7262
P2214
P1711
Atom CB of residue 57
P449
P0
P3665
Atom C of residue 21
TYR
P8284
P9109
Atom HB2 of residue 73
P3605
P2543
P5771
P4370
P8388
P6549
P1503
P6613
P6803
Covariance1DFunction 34
P1732
P7754
Atom HG13 of residue 70
P9753
P4247
Atom HA of residue 16
Atom HB3 of residue 8
P0
P6366
P6549
P2437
P3228
P3858
P4341
P6709
P5626
Atom CG of residue 39
P2
Atom HG21 of residue 12
P7514
P4246
P4439
P1561
P6261
P3374
P7899
P6188
P8660
P2030
P6085
P7656
P7478
Atom NH2 of residue 42
Atom HE2 of residue 1
P3212
P3098
P6738
P2347
P2649
VAL
P8464
P8066
P5077
P6943
P5008
P2035
P2017
P5626
P2123
P4683
Atom ND1 of residue 68
Atom CA of residue 40
P6615
P3149
P7041
P1720
P1436
P6245
P4378
LYS
P5813
P5718
P3628
P105
P7974
P8160
Atom HH12 of residue 74
P3281
P8095
P2970
P7188
P3476
P4658
P7355
P5589
P6576
P2438
Atom HA3 of residue 47
Atom HG13 of residue 3
P13461
P7449
P8287
DihedralSingletonScore4
P1644
Atom O of residue 72
P7908
P5746
P6245
P4979
P3566
P5561
P2544
Atom HA of residue 23
P3790
ILE
P6750
P6433
P7534
P2433
P1
Atom OG of residue 57
P5986
P6173
P4648
GeneralizedGuinierPorodFunction 46
P3761
P2417
P3667
P3606
Atom O of residue 66
P3
P1740
P2703
P7711
P4181
P6804
Atom OG1 of residue 7
P5359
P7197
P5552
P7384
P4069
P7263
P1712
P2031
P452
P7973
P6550
Atom H of residue 42
P3666
Atom CA of residue 33
P8285
P5237
P6182
P5772
P1733
P1722
P4371
P6550
P7515
P5338
P2018
P10466
P11178
P6189
Atom HB3 of residue 73
P2215
P8661
P177
P6086
P12508
P1721
P6739
P9110
P9754
P4248
P7356
P1313
Atom HG21 of residue 70
P3229
P3859
P4342
Atom CD2 of residue 68
P6616
P7262
P7042
P8377
P7755
P6246
P4247
P4440
P6210
P6262
P5719
P3375
Atom CH2 of residue 123
Atom HH21 of residue 74
P5853
P7657
P7479
P3099
P2418
P8096
P3567
P6614
P6710
GaussianProcessInterpolation18
P2650
P8067
Atom C of residue 40
P5078
P5562
P2545
Atom HG12 of residue 23
P5563
P5009
P6337
P7900
P13462
P7450
P4684
P5360
P8288
P6368
P6577
P3150
Atom CA of residue 36
P8389
Restraint 145
P3213
P4379
P2348
P4980
P3629
P7264
P7975
P0
P6434
P2419
P2971
ListSingletonContainer285
P7189
P3477
P4659
P5627
P6174
P1880
P6944
P7712
P5747
P2036
P6246
P5238
P8463
Atom CD1 of residue 3
P3791
Atom CD2 of residue 43
P6751
P1645
P5627
P5814
P8161
Atom CB of residue 66
P7
P7974
P1741
P8378
P1437
P4649
P3762
Atom HG of residue 20
Atom N of residue 52
P3668
Atom HB2 of residue 31
P3607
P2118
P2
Atom C of residue 36
Atom CB of residue 72
P2704
P4182
P7535
P5334
P10467
Atom C of residue 39
P5590
P12509
Atom C of residue 8
P2439
P6338
Atom C of residue 33
P7385
P9111
P2124
P6805
P4070
ModelScoringFunction11
Atom HG23 of residue 12
P1723
P6551
P5854
P7909
P3667
P1758
P2156
P6183
Atom CA of residue 70
P5773
P4372
P7756
Atom HA of residue 42
P7516
P1501
P6211
P5987
P5564
P2418
P4249
P6615
P6711
P6087
P3230
P3860
P4343
P6740
P7901
P2216
Model 102
P6617
P2032
Atom CB of residue 36
P8390
P1722
P7198
P4248
P4441
GLY
P6263
P5720
P3376
P9685
P7976
Atom HG13 of residue 23
P7480
P6551
P6247
P3100
P1562
P5553
P8097
P7190
Atom HB of residue 30
P2651
P5079
P7043
P1881
P6435
P2419
P2349
P8286
P9755
P7265
P4685
P5361
Atom O of residue 57
P3151
P6945
P7658
P2037
P4380
P4981
P3630
P7357
Atom CB of residue 9
Atom H of residue 43
P1825
P2019
P5815
P2972
P3478
Model 191
P4660
P6190
P7451
P5628
P8162
ASP
Atom HB3 of residue 31
P8465
P8068
P1734
P5010
P7536
P2157
P5239
P6578
P3792
P6752
P1439
P3214
P7386
P5628
P13463
Atom HG of residue 73
P6367
P7975
P8379
P4650
P3763
P3669
P3568
Restraint 281
ListSingletonContainer517
P3608
Atom H of residue 13
P2705
P5855
P4183
P5554
P5335
P10468
P2125
P6184
Atom N of residue 13
P247
P5591
P8289
P450
P12510
Atom O of residue 36
P5565
P6339
P5748
P1759
P6247
P11179
P4071
Atom C of residue 70
Atom O of residue 39
P7910
P3668
P1563
P9112
Atom HD12 of residue 3
P5563
P5774
P4373
P6175
P2440
P9686
Atom HH22 of residue 74
P7264
P5988
P7757
P6552
P7713
P6212
P4250
P6616
P2217
P1735
P1642
Atom NH1 of residue 42
P3231
P3861
P1541
P4344
P8287
P9756
P6712
P7266
P178
P6552
P7199
P7659
P4249
P4442
P6264
P104
P3377
P7902
P6806
P13464
Atom HG21 of residue 23
P7481
P7517
P3101
P6191
P7452
P2652
P7977
P5629
P5080
P2033
P1742
P1723
P1882
Atom HG12 of residue 30
P4686
P8466
P8069
P8290
Atom H of residue 66
P3152
P6946
P5011
P6248
P4381
Model 32
Atom HB3 of residue 32
P2336
P3631
P7358
P6618
Atom N of residue 75
P6088
P1724
Atom CG2 of residue 36
P6741
P5629
P5816
P2973
P5721
P3479
P4661
Atom HD11 of residue 73
P8163
Atom CB of residue 68
P1713
P7976
P8391
Atom HG3 of residue 49
P8098
P6579
P7044
P7714
P6437
P3215
Atom N of residue 2
P80
P7191
P250
P5362
P5592
P6369
P3793
P6753
P1438
P5749
Atom H of residue 7
P2420
P4982
P2020
Atom O of residue 70
P5564
P7911
P4651
P3764
P2038
P3670
P3609
P7265
P6176
P2706
P4184
P7387
P5070
P9687
P5989
Atom CD1 of residue 3
P2350
P6248
P5241
P4072
Atom CE2 of residue 4
P5566
P3669
Atom HE22 of residue 49
P3569
P6185
P11180
Atom O of residue 10
GLY
P5775
P6553
P1743
P4374
P7200
Atom H of residue 18
Atom HG22 of residue 23
P8392
P5856
P6553
P7518
P2420
P7537
P4251
P10469
P8380
P1643
P6340
P3232
P3862
P4345
P2365
P9757
P2126
Atom HA of residue 66
P6249
P4250
P4443
Atom CB of residue 11
Atom CA of residue 52
P6213
P6265
P81
P3378
P6807
P13465
P7267
P7359
Atom H of residue 31
P6619
P2034
GLY
P1724
P7482
Atom CD1 of residue 36
P3102
P5555
P9113
P5722
P7192
P2653
P1714
P5081
P12511
P7660
P8099
P11181
P6617
P6192
P7453
P4687
P8467
P8070
P8291
P1736
P3153
Atom HB3 of residue 43
P1725
P7045
P7758
P5012
P1760
P4382
P3632
Atom CA of residue 14
P5630
P5363
P6370
P6089
Atom HG23 of residue 23
P1883
P2421
P6742
P4983
P8288
P2021
P2974
P3480
P4662
P6713
P106
Atom CD of residue 2
P5565
P2441
P2158
P7903
Atom CG of residue 68
P4102
P7266
P6580
P7977
P7715
P7388
P5071
P5630
P2218
P7978
P3794
P6947
P6754
P1441
P5750
P2039
Atom CG2 of residue 36
Atom C of residue 54
P4652
P3765
Atom N of residue 23
P6249
P3671
P5817
P3570
Atom HG13 of residue 30
P3610
P8164
P5593
Atom H of residue 10
P2707
P4185
P6177
P7912
Atom N of residue 50
P7538
P10470
P4073
P8381
P6436
P6341
P3670
P2366
P2351
P6186
P1715
P5990
P5776
P6554
P4375
P5857
P1564
P8289
P6214
P6808
P9688
P8393
P7519
P0
P5556
P4252
P2127
Atom HH11 of residue 74
P1744
P7201
P3233
P3863
P3216
P4346
Atom C of residue 52
P6618
Atom HG of residue 43
P4251
P4444
P2159
P6266
P5240
P3379
Restraint 589
P5631
P6620
P6090
P5567
P7483
Atom C of residue 37
P3103
P6743
P9114
P5723
Atom HA of residue 31
P2654
Atom C of residue 17
P5082
P179
Atom HG2 of residue 2
P6554
P8100
P4688
P7360
Atom C of residue 14
P8468
P451
P1737
P3154
P7046
P7759
Atom O of residue 54
P2442
P1884
Atom CA of residue 23
P4383
Atom CD1 of residue 8
P9758
P5631
P3633
P105
Atom CB of residue 9
P6371
P6948
P1761
P4984
P2975
P3481
P11182
P6714
P6193
P1718
Atom O of residue 12
Model 126
P5818
P7904
P2
P7268
P8165
P4103
P5594
Covariance1DFunction 75
P5566
P7661
P2422
P5072
P13466
Atom CG of residue 63
P7979
P8071
P8292
Atom CA of residue 75
P7267
P3795
P6755
Atom CG of residue 32
P7913
P5013
P6250
P2421
P1565
P7389
P7454
P2219
P1440
P4653
P3766
P3672
P3611
P248
P2035
P5991
P1725
P2708
Atom CZ of residue 42
P4186
P2022
P3605
P9689
P6581
Atom HB2 of residue 45
P12513
P1726
P2
P7716
P6438
P6250
P10471
P4074
Atom HH12 of residue 74
P5364
P7978
P7202
P3671
P5751
P7539
P5557
P7193
P2059
Atom OG1 of residue 66
P5777
P4376
P6178
P8290
Atom CE of residue 63
Atom CA of residue 75
Atom CG1 of residue 36
Atom OD2 of residue 32
P3217
P8494
P9115
P4253
P3571
P6555
P3234
P3864
P4347
P5242
ListSingletonContainer372
P6619
P6809
P7361
P8469
P7760
Atom O of residue 37
P4252
P4445
P9759
P6267
P6187
P3380
Atom HE3 of residue 63
P2051
P5568
P6555
P1745
P8382
P7484
von Mises sufficient 8
Atom HB2 of residue 49
P3104
P2352
P11183
P6715
P6194
P2655
P5632
P5365
P1719
Atom C of residue 75
P5083
P1738
P5858
P7520
P2422
P7905
P4689
Atom O of residue 17
P6091
P3155
P7662
P6342
Atom OG1 of residue 7
P2040
P4384
P6744
P3634
P13467
P7980
P8072
P8293
P6372
P8394
P6949
P5014
Atom CB of residue 36
P6251
P1
P6215
P5632
P2976
P3482
Atom HE21 of residue 2
P6621
P5819
P5724
P7269
P8166
Atom CB of residue 12
P2443
P1566
P8101
P3606
P5595
P6582
Atom HB3 of residue 45
P3796
P0
P1727
P7047
P6756
P7717
P6439
P8495
P2367
P2130
P7194
P107
P7455
P2036
Atom HA of residue 17
P1726
P5859
P7914
P4654
P5752
P3767
P2423
P4985
P3673
P3612
P8383
P2709
P1762
P4187
Atom O of residue 52
Atom NZ of residue 63
P5992
P12514
Atom HA of residue 43
P6251
P5073
P11184
P4075
Atom HZ1 of residue 63
Atom H of residue 13
Atom CG2 of residue 66
P5567
P7979
P1446
P6179
P1885
P6343
P3672
P5243
P6810
Atom C of residue 75
P7268
P5778
P4377
P7203
P7390
P2220
Atom CD1 of residue 36
P5569
P6556
P2041
P7540
P4254
Atom H of residue 32
P6556
P3235
P7521
P3865
P4348
P2023
P10472
P6622
P6092
P3077
P1746
P4253
P4446
P2368
P6745
P2353
P5558
P9116
P9760
P6268
P6188
P3381
P7362
Atom O of residue 75
P6373
P8395
P7485
P3105
P2160
P6216
P9690
P2656
P5366
P8294
P5084
P7761
Atom CB of residue 54
Atom CG2 of residue 7
Atom CB of residue 52
P5725
P7270
P4690
Atom HG13 of residue 61
P1723
P3156
P7663
P3218
P8492
P4385
P8291
P8102
P3635
P3572
P6620
P6716
P8073
P7048
P5860
P5015
P2977
P7195
P3483
P7906
Atom HG12 of residue 5
P7456
Atom CB of residue 5
Atom CG1 of residue 36
P6252
P4986
Atom HH21 of residue 74
P7981
P2131
P3607
P5633
P6583
P3797
P8396
Atom HB of residue 17
P6757
P6440
P2424
P2423
P5074
Atom H of residue 1
P8470
P7980
P6950
Atom CD of residue 54
P4655
P5753
P3768
Atom HG22 of residue 22
P1763
Restraint 4
P3674
ListSingletonContainer286
P13468
P6195
P3613
Atom O of residue 75
Atom HB2 of residue 43
P1728
P8384
P2710
P8493
P4188
P2024
P5633
P5820
P5244
P9691
P8167
P180
P1739
P1447
P1886
Atom CB of residue 48
P7541
P4076
P5568
Atom H of residue 36
P2444
P6344
P3673
P2161
P10473
P2221
Atom HZ2 of residue 63
P5596
P7269
P5779
P4378
Model 378
P7391
P9117
P6811
P2037
P6557
P7915
P4255
P6189
Atom HH22 of residue 74
P249
P1716
P12515
P7762
P7718
P3236
P7522
P3866
P4349
P1569
P6252
Atom HG21 of residue 61
P6623
P5993
P3078
P5570
P1727
P2042
P4254
P4447
P5559
P8292
P6269
P3573
P3382
P11185
P6621
P6717
Atom HB2 of residue 19
Atom CB of residue 6
P6093
P7486
Atom CD of residue 33
P3106
P6746
P7907
P13469
P2657
P8295
P5085
Atom HD12 of residue 36
P7204
P3219
P2369
GLY
P6217
P5726
P2
Atom HG3 of residue 16
P4691
P7982
P8471
P3157
P6557
P4386
Atom CG of residue 52
P8103
P3636
Atom HD1 of residue 45
P7049
P9761
P2978
P3484
P7271
P6951
Atom HA of residue 32
P2445
Atom CG of residue 48
P4987
P7196
P6196
P7363
Atom CZ of residue 4
P5821
P3608
P7457
P5634
P8168
Atom N of residue 75
P3798
P6758
P7664
P7719
P6253
P6441
P2354
P5075
P8074
P5367
P5569
P1747
P8397
Atom H of residue 18
P6180
P4656
P5016
P3769
P3675
Atom CB of residue 63
P3614
Atom HB3 of residue 19
P7270
P6374
P1740
P2711
Atom NE of residue 54
LYS
Restraint 33
P4189
P7392
P5634
P5245
P9692
P7981
P4077
P1717
Atom H of residue 75
P6584
P0
P3674
P2
Atom H of residue 29
P10474
P5597
P2038
P5780
P5571
P4379
P1728
P5754
P2424
P5560
ListSingletonContainer518
P1729
P7916
Atom CE of residue 33
P1570
P9118
P4256
P6622
GLU
P12516
P3237
P3867
P4350
P6253
Atom N of residue 75
P5994
P3079
P8385
P7763
P6558
P6345
P4255
P2425
P4448
P6270
P2128
P6190
P3383
P11186
P8296
Atom HD2 of residue 45
P5861
P7487
P3107
THR
P2025
P9762
P6718
P13470
P7272
Atom N of residue 17
P2658
P5086
P6558
P1448
Atom HB2 of residue 32
P7205
Atom CB of residue 13
P1887
P1764
P7542
P7908
P6812
P4692
P8472
P453
P3158
P7523
P2043
P4387
P0
P3637
P7458
P2222
P7983
P5635
P6375
P7665
P6254
P6442
Model 430
Atom CD of residue 48
P2370
P2355
P6218
P2979
P106
P3485
P8075
P5368
Atom HA of residue 36
P8398
P6952
P6181
P5017
P8293
Atom HE1 of residue 59
P3574
P7364
P6624
P6094
P6747
P5635
P5822
P5727
P3609
P6197
P8169
P5598
P7982
P3799
P1748
P6759
P7720
P8104
Model 251
Atom HB3 of residue 2
Atom HA3 of residue 75
P6585
P7050
P4657
P3770
P2162
P3676
P5246
P3615
P1635
JeffreysRestraint_P0
Atom N of residue 13
Atom NE2 of residue 2
P2712
P5755
P3220
P2425
P4190
P4988
P2026
P5570
P7917
P2446
P7197
P4078
Atom CA of residue 64
P1720
P7271
P0
P3675
P7393
P5076
P181
P2039
P5995
P5781
P12517
P1730
P4380
P8386
P6346
Atom HA of residue 29
P1765
P6254
P11187
P6
P5572
P8294
P4257
P9693
P6559
P1449
P7206
Atom N of residue 9
P1888
P3238
P3868
P2426
P4351
Restraint 77
P7543
P5415
Atom CZ of residue 54
P6559
P7524
P4256
P4449
P6271
P10475
P2129
P6191
P3384
Model 386
P2223
P3
P5862
P7488
P3
P3108
P6219
P9763
P5728
Atom C of residue 75
P2659
P5087
P6376
P5561
Atom HE2 of residue 59
P6623
P6813
P7273
Atom H of residue 18
P4693
P7365
P6625
P456
P1741
P3080
P3159
P4388
P2163
P9119
P3638
P1636
Atom N of residue 2
P7666
P5263
P2356
P8105
P6548
P2980
P3486
P7459
P8076
P8399
P7051
P7764
P5018
Covariance1DFunction 28
P5416
P6095
P3221
P6748
P4989
P3610
P6719
P8474
P8297
P5571
P3800
JeffreysRestraint_P1
P6760
P7909
P13471
P5636
P1721
P7272
P6586
P7983
ILE
P1729
P4658
P3771
Atom HB3 of residue 11
P1579
P7394
P5077
P3677
P108
P6198
P3616
P7984
Atom HA of residue 32
P1
P6953
P6182
P2713
P5756
P4191
P2251
P2
Atom HA3 of residue 10
Atom CE of residue 48
P2044
P5636
P5823
P3575
P7198
P4079
P8170
P7721
P6255
P3676
P1
ListSingletonContainer33
P5369
P5417
P5782
Atom HB of residue 36
P4381
Atom NH1 of residue 54
P7918
P2447
P6443
P5562
P10476
P9694
Atom CA of residue 18
P1315
Atom HE1 of residue 45
P1742
P1450
P2426
P8295
P4258
Atom O of residue 75
P2040
P5996
P12518
P6560
P1749
Atom OD1 of residue 32
P3239
P3869
P1766
P4352
P6255
P11188
P6814
P6183
P7525
P4257
P4450
P7544
P6272
P3385
P2224
P7207
P7489
P1889
P3109
P6549
P5729
P5247
P6624
P2660
GaussianProcessInterpolationRestraint 18
P5088
P8389
P5263
P4694
P5599
P6626
P6096
P2252
P3081
P3160
P5573
P1730
P5264
P4389
P6749
P9120
P2027
P3639
VAL
MolecularDynamicsMover8
P8298
P1316
P6560
P6347
P2427
ListSingletonContainer34
P8106
P2981
P6192
P3487
P13472
P7366
P5370
P5418
Atom N of residue 76
Atom N of residue 4
P1731
P7052
P7765
P2045
P9764
P6199
Atom OE1 of residue 49
Atom HB2 of residue 32
P6377
P6954
P3222
P2357
P4990
P3611
P6720
P3801
Atom HG23 of residue 36
P6761
P6444
Atom NZ of residue 48
Atom HB2 of residue 29
P1580
P2164
P5824
P107
P7199
P7910
P7274
P8171
P1722
P5572
P7667
P4659
P7722
P3772
P2371
P5078
P3678
P6220
Atom HB3 of residue 27
P3617
P7985
P8077
P7273
Atom OE2 of residue 24
P2714
P7919
P5019
Atom N of residue 11
P4192
P7395
P7460
P5637
P5342
P6256
P3576
P4080
P2041
P5997
P1750
P3677
P5248
P11189
Atom C of residue 18
Atom HZ3 of residue 63
P8473
P6587
P5783
P4382
P6348
Model 33
Atom HH of residue 59
P5637
P10477
Atom HD13 of residue 44
P7984
P7208
P6184
Atom CA of residue 83
P2448
P5757
P4259
Atom CA of residue 99
P12519
P4803
P8390
P3240
P3870
P1767
P4353
GLY
P1743
P3
P4258
P4451
P9121
P6273
P3386
P5419
P5264
P7490
P6561
P3110
Restraint 96
P6550
P6625
P6815
P7367
P2661
P251
P1724
P5089
P2253
P454
P1865
P7766
P7545
P9765
Atom NE2 of residue 49
P4695
P2225
P9695
Atom O of residue 18
P5600
P3082
P3161
P5574
P6561
Atom CB of residue 45
P1890
P2428
P4390
P3640
P6721
P8299
Atom HE2 of residue 45
P1732
Atom HA of residue 24
P7526
Atom HB3 of residue 29
P2427
P8296
P2982
P6193
P3488
P7911
P5638
P5371
P1637
P182
P6378
P6097
P1731
P7668
P6750
P2358
Atom N of residue 60
P6221
P1
Atom HG2 of residue 27
P7986
P8078
P6955
P5020
P5265
P6256
P3612
P6627
P3802
P6762
Atom H of residue 7
P6445
P5563
P5638
P5825
P5730
P7275
Atom N of residue 45
P8172
Restraint 135
P4660
P3773
P2028
P3679
P8107
P3618
P6588
P7053
P2715
P2372
P4193
P2165
P3577
P7200
P13473
P7461
P7920
P5758
P2046
P3223
P4991
P4081
P8475
P4804
Atom CG of residue 45
Atom CG of residue 54
P3678
P5249
P109
P5998
P5784
P4383
Atom C of residue 83
P8199
P6349
P5079
Atom C of residue 99
P11190
P6200
Atom N of residue 64
P5573
P7985
Atom HE2 of residue 4
Atom HB of residue 36
P4260
P6816
P254
P7274
P8391
P1866
P7209
P3241
P0
P3871
P4354
P7546
P7396
P9696
P1638
Atom HG12 of residue 36
P5575
P6562
P5341
P7723
P4
P4259
P4452
P1768
P1581
P6274
P3387
GaussianProcessInterpolation25
Atom OD2 of residue 32
P5420
Atom CA of residue 76
P7491
P6562
P7527
P3111
P8298
P10478
P2226
P2662
P1728
P5090
P6098
P1744
P6185
P1891
Atom H of residue 48
P6751
P9122
P9766
P6194
P13474
P4696
P7368
Atom HB of residue 61
P3083
P3162
P12520
P5266
P4391
P5564
P6257
P3641
GLY
P8300
P6628
P5265
P7767
P6258
Atom HG13 of residue 36
P2983
P5731
P3489
P7276
P7462
Atom HB2 of residue 24
P7669
P2449
P2428
P8108
P6551
P6626
P6722
P8079
P2042
P7054
P5021
ASN
P6222
P7201
P3613
P7912
P7
P3803
P0
P1751
P6763
P3224
P4992
MD 5
P7987
Model 397
P8476
P4805
Atom H of residue 45
P4661
P7724
P3774
P1583
P2166
P3680
P3619
P5372
P6589
Atom HZ of residue 45
P1733
P2716
Atom O of residue 83
P8200
P4194
P5080
P6201
P5601
P6379
P2254
P7986
P8387
P6956
Model 134
P1734
P5759
P4082
Atom H of residue 49
P6447
P3679
P5826
P5639
P8173
P5785
P4384
P2429
P8299
ListSingletonContainer287
P5574
Atom HG13 of residue 36
Atom OD2 of residue 52
P2359
P2029
P4261
P10479
P7275
Atom HA of residue 45
P6186
P5343
P3242
P3872
Atom HA of residue 48
P4355
P7397
P5639
P6817
P9697
Atom C of residue 45
Atom H of residue 32
P6563
P7921
P2047
P4260
P5267
P4453
P2429
P5565
P6275
P5251
Atom HA of residue 27
P3388
P5602
P8301
P1745
P1735
P1867
P5266
P7768
P7492
P6350
P7528
P3112
P2373
Atom CG1 of residue 99
P2162
P2663
P5091
P5999
P5576
P1752
P6552
P11191
P6627
P6723
P13475
P4697
P2043
P6099
P3084
P3163
P12521
P0
Atom HG21 of residue 36
P2430
P4392
P1
P6752
P3642
P3578
P7913
Atom HA of residue 49
P6629
P7210
P2984
P5732
P6195
P3490
P4223
Atom CA of residue 75
P7988
Atom HA2 of residue 75
P6380
P4806
P6563
Atom HB3 of residue 11
P8109
P5373
P7055
P8388
P1769
P7547
P26
P9767
P3614
P7277
P183
P3804
P6957
P6764
Atom CD of residue 24
P6258
P4993
P7202
P7369
P8477
P1734
P4662
P7725
P3775
P9123
Atom O of residue 60
P3681
P6223
P5827
P7463
P3620
P8174
P1
P5603
P2255
P2717
P7670
Atom CG of residue 83
P6257
P4195
P5081
P2227
P5640
P8080
P5421
P5575
P455
Atom N of residue 46
Atom H of residue 52
P5022
P2450
P1892
Atom HG22 of residue 9
P1584
P2030
P4083
P6202
P7276
P4807
P5344
P3680
P7398
Atom CG2 of residue 99
P2163
P1639
P5786
P7987
P4385
Atom HB3 of residue 45
P5760
P2048
P2360
P8302
P5640
P1725
P6590
P1736
P5267
P6351
P2374
P4262
P10480
Atom O of residue 45
P1841
P5577
P0
P3243
P3873
P4356
P9698
Atom HG12 of residue 13
P6187
P7922
P3225
P4261
P4454
P6276
P3389
P252
P12522
P7493
P8195
P6446
P0
Atom HZ3 of residue 33
P3113
P5566
P6259
P9124
P9768
Atom HB2 of residue 27
ListSingletonContainer519
P2664
Atom N of residue 25
P5092
P1341
P6000
P1753
P4808
P7769
P6564
P2169
P6553
P11192
P6628
P4698
P5422
P3085
P3164
P1868
P5268
P4393
P7548
P3643
P6724
Atom O of residue 75
P7278
P1343
Atom HG21 of residue 36
P6564
P7211
Atom N of residue 8
P2985
P3579
P6196
P3491
P4224
P7914
P6818
Atom HB2 of residue 49
P6381
P7529
P2431
P1770
Atom CB of residue 60
P5250
P7989
Multivariate Normal distribution 34
P7671
Atom CD1 of residue 83
P3615
P8081
P1640
P3805
P6958
P6765
P5023
GLU
P6224
P7370
P8478
P6630
P6100
P3776
P2049
P6753
P3682
P5828
P5733
P108
P13476
P2228
P3621
P8175
P1746
P7988
P2718
P1893
P5761
P4196
P8303
P8110
Atom HA2 of residue 75
P1344
P1726
P2044
P6591
P7056
P2451
P4084
Atom CG of residue 21
P8302
P5423
P1342
Atom HD2 of residue 45
P5345
Atom CB of residue 61
P3681
Atom HB2 of residue 48
Atom CD1 of residue 36
P4994
P9699
P5641
Atom CA of residue 25
P5576
P5787
Atom HG13 of residue 13
P4386
P7923
P7726
P6259
P2375
P1585
P7203
P6203
P5374
P7277
P3605
P7399
P5082
P4263
P6001
P2256
P3244
P3874
P3226
P4357
P2170
P2031
P5641
P3580
P11193
P5578
P1735
P1755
P6448
P4262
P5269
P4455
P2430
P6277
P3390
P2164
P7464
ALA
P6565
P5268
P7212
P7494
P8196
P3114
P9769
P2665
P5093
P1869
P6188
P6565
P7530
Atom CB of residue 8
P10481
P4699
P3086
P3165
P12523
P4394
Restraint 78
P6260
P3644
Atom HZ1 of residue 6
P8303
P7549
P2361
P2986
P5252
P3492
P6819
P7279
P7371
P6631
P6352
P2053
P2436
P5734
P13477
P5375
P5604
P7672
P1
Atom CA of residue 34
P5567
P8111
P6554
P6629
P3616
Atom HA3 of residue 75
P5642
P8082
P2045
P3806
Atom HG22 of residue 36
P4809
P7057
P6766
Atom CD of residue 72
P7770
Atom HA of residue 52
Atom C of residue 10
P5024
P4225
P8479
P2049
P6101
P1747
P1736
P3777
Atom HB3 of residue 48
P6754
P4995
P9125
P3683
P6197
P6725
P3622
P5577
P6383
P2719
P7727
P6260
P4197
P1586
P5642
P7915
P6204
Atom OD1 of residue 21
P7278
P6592
P7989
P1756
P3606
P7400
P5083
P6854
P4085
Atom HB3 of residue 49
P7990
PHE
Atom C of residue 25
P1641
P6959
P5346
P3682
P5762
P1727
P1520
P5788
P4387
P1733
P2452
P6449
P2431
P7204
P110
P8176
P2257
Atom CA of residue 46
P5269
P6353
P4264
P2166
P6189
P7924
P4099
P3245
P3875
GeneralizedGuinierPorodFunction 18
P1771
P4358
P10482
P184
Atom HB3 of residue 52
P4263
P4456
P6278
P85
P3391
P2229
P6002
P6566
P7495
P1894
P3115
P5253
Atom O of residue 99
P11194
P6820
P2666
P5094
P7531
P2376
P4700
P1842
P5605
P1729
P3087
P3166
P12524
P7213
P4395
P2362
P6261
P8368
P6555
P3645
P3
P6630
MD 9
P8304
P1625
P4810
Atom NE of residue 72
P6225
P2987
P3493
P6632
P6102
Atom HD11 of residue 36
P5579
P6755
P9126
P2032
P5735
P253
P5376
Atom HE1 of residue 45
P6566
P6261
P3227
P7550
P2167
P5568
P8112
P3617
P9700
P3807
P7058
P6767
P7771
P5270
P9770
P6855
P4226
Atom HG2 of residue 49
P7465
P5424
P6960
P5347
P3778
P4996
P3684
Atom N of residue 9
P6198
P6726
P2167
P7372
P3623
P2046
P2720
Atom CB of residue 83
Atom CB of residue 61
P4104
P1772
P1347
P4198
P7205
P7916
P7280
P8177
P5578
P7673
P3607
Atom C of residue 34
P5084
Atom CA of residue 60
P4086
P13478
P7991
P8083
P7279
P7925
P5025
P4100
P3683
Atom H of residue 17
P2432
P7401
P109
Atom CA of residue 45
P5789
Atom C of residue 46
P1757
P4388
P4811
Atom CA of residue 49
P1870
P1336
P6262
P6450
P1642
P1521
P6003
P6354
P3
P4265
P11195
LYS
P5643
P6382
P6593
P3246
P3876
P2437
P4359
P10483
P3581
P2168
P2230
P9701
P8480
P1748
P7990
P7214
P1895
Covariance1DFunction 45
P5763
P4264
P5271
P4457
P8369
P6279
P3392
P5606
P7496
Atom N of residue 53
Atom HG23 of residue 7
P7728
P2453
P3116
P2377
P6226
P5643
P5254
P6205
P2667
Atom HG2 of residue 24
P1843
P5095
P7772
Model 175
GeneralizedGuinierPorodFunction 64
Atom CB of residue 99
P4701
P1733
P3088
P3167
P1626
Atom C of residue 49
P6567
P3228
P4396
P1348
P5569
P9127
P6556
P3646
P6631
P6821
P13479
Atom CA of residue 75
P2033
P9771
P2988
P3494
P7466
P5644
P5425
P2258
P5580
P6567
P5270
Atom CA of residue 73
Atom HG2 of residue 48
P7551
P6727
P2169
P6190
P7532
P2433
P6199
P3618
P7917
P6103
P3808
P12525
P6768
P7674
Atom O of residue 34
P6756
P1582
P6262
P5644
P6856
ListSingletonContainer370
P4227
Atom OE2 of residue 24
P7992
P8084
P8305
Atom HD12 of residue 23
P1737
P1754
P6961
P5026
P3779
P2168
P3685
P3624
P6633
Atom O of residue 49
P1871
P2721
P7729
P6263
P4105
P4199
Atom C of residue 60
P5736
P7281
P8178
P5377
P457
P3608
P8113
P4087
P7373
P2047
P6594
P7059
P4101
P3684
P1773
P8248
P3582
P7206
P8481
P1643
P5790
P1749
P4389
P4812
Atom HE2 of residue 45
P7926
P6451
Atom CA of residue 39
P5764
P6
Atom HA of residue 17
P2363
P4997
P5607
P6384
P5271
ListSingletonContainer359
P4266
P6206
P6004
P3247
P3877
P4360
P5085
P2034
P11196
P9702
P5579
P7991
P4265
P5272
P4458
P6280
Atom HE3 of residue 6
P3393
P6822
P111
Atom CB of residue 25
P7280
P7215
Atom CZ of residue 72
P5348
P7497
P3117
P7402
P5255
P2668
P5096
P185
P5581
P6568
P2454
P6355
Atom HG3 of residue 48
Atom HB of residue 17
P4702
P3089
P3168
P6191
P6568
P7533
P4397
P2
P3647
P10484
P13480
Atom HG3 of residue 31
P1522
P6104
P2259
Atom CB of residue 49
P6757
P9772
P2989
P3495
P8306
P3229
P5570
P6227
P2233
Atom NE2 of residue 2
P6634
P5427
Atom HD23 of residue 8
P8249
P43
P5737
P3619
P7282
P5378
P3809
P12526
P1738
P6769
P7675
GLY
P1896
P2364
P6263
P8363
P9128
P8114
P6557
P6857
P4228
P6632
P7467
P7374
P8085
P7060
P5027
P3780
P1312
P2378
P3686
P6200
P7207
P7918
Atom HA of residue 24
P2231
P3625
P5645
P2722
P7730
P6452
P4200
P4998
Atom CB of residue 9
P4
P7993
P2048
P6385
P460
P3609
P3583
P4088
P1730
P6595
P1627
P5349
P4102
Atom C of residue 39
P3685
Atom HZ1 of residue 27
P5086
P6228
P5645
P6728
Atom HB2 of residue 21
P8482
P5791
P7992
P4390
P4821
P6962
P6264
P5765
P5272
Atom NH1 of residue 72
P7773
P1774
Atom HB2 of residue 11
P4267
P5256
P8179
Atom HD13 of residue 23
P1750
P1872
P6356
P3248
P3878
P4361
Atom HG11 of residue 17
P6207
Atom OD1 of residue 25
P1844
P1644
P5580
Model 357
P4266
P4459
P8250
P6281
P10485
P3394
P7281
P7498
P3118
P2434
P7403
P8364
Atom NZ of residue 29
ListSingletonContainer288
P6823
P2669
P5097
GaussianProcessInterpolation59
P6569
P7927
P1897
P7552
P5571
P2234
P4703
Atom HB3 of residue 21
P1523
P3090
P3169
P7534
P4398
P3648
P2609
P2232
P9703
P6005
P5582
P6192
Atom CA of residue 53
P5273
P6558
P6858
P2990
P3496
P11197
P6633
Atom HE22 of residue 31
P7468
P5646
P6105
P12527
Atom CG of residue 49
P2379
P6758
P6264
P3584
P7919
GeneralizedGuinierPorodFunction 13
P6635
Atom HD1 of residue 45
P7216
Atom N of residue 34
Model 34
P5738
P3620
P6729
P7994
P3810
P6770
P6569
Atom OG1 of residue 7
P3230
ModelScoringFunction7
P9129
P8115
P5646
Atom C of residue 7
P4229
P7375
Atom HG2 of residue 2
P1731
P7061
P3781
Atom HZ2 of residue 27
P3687
P9773
P6201
P7283
P3626
P1739
P6963
P2723
P6265
P4201
P2365
P4999
ListSingletonContainer259
P2035
P6229
P7208
P13481
P1845
P5608
P6386
P3610
P8365
Atom HB3 of residue 15
P4089
P8180
P2260
P5350
P7676
P4103
P3686
P7404
P5087
P8086
P8307
P5581
P5792
P1628
Atom HG22 of residue 17
P4391
P4813
P5028
P1775
P0
P5426
P7282
P1873
P7774
P7731
P2455
P1
Atom H of residue 29
P4268
P5379
P7993
P3249
P3879
Atom HD2 of residue 48
P4362
P7553
Atom N of residue 22
P6596
P7928
P4267
P4460
Atom HG12 of residue 17
P6282
P10486
P3395
P2610
P9704
P5609
P1645
P5583
P7499
P5766
P3119
P5274
P6208
P2670
P2
P5098
P5273
P6453
P6730
P4704
P1751
P3091
P3170
P4399
P3
P5572
P3649
P6006
P6570
P1898
P8266
P9130
P6559
P2991
P3497
P11198
P6634
P2235
P7469
P7376
P8308
P9774
ListSingletonContainer520
P7284
Atom CD of residue 24
P2233
Atom HD11 of residue 23
Atom HD13 of residue 36
P6570
Atom CD of residue 49
ILE
P7217
P6193
P6357
Atom O of residue 39
P3231
P2435
P5259
P3621
P7920
P6824
P13482
P8087
P5380
P3811
P12528
P6771
P7535
P2380
P6265
P4230
P7995
P2261
P7677
P2456
P3782
P3688
Atom H of residue 11
P3627
P1990
P2054
P458
Atom HG23 of residue 17
P4814
P6964
P2724
P5029
Atom O of residue 8
P4202
P2366
P9962
Atom CA of residue 25
P1732
P6636
P186
P6387
P6106
Atom NH2 of residue 72
P3611
P7732
P6759
P5739
P4090
P8181
Atom HA of residue 7
P7994
P7929
P2059
P3687
P3880
Atom HD3 of residue 48
Atom HG of residue 15
P8116
P1524
P6597
P5793
P2100
P4392
P7062
Atom CG of residue 39
P2437
P41
P110
P6202
Atom N of residue 32
P5610
P5767
P5000
P2036
P6230
P4269
P2229
P6209
P5647
P5428
P5582
P5274
P6454
P6358
P3250
P4363
Atom HE2 of residue 27
P6859
P5260
P7209
P7283
P5352
P4268
P4461
P5088
P6283
P3585
P3396
P2675
P6007
PRO
Atom CA of residue 61
P7500
Atom HB2 of residue 52
P6266
P3120
P5647
P11199
P2671
P255
P5099
P1752
P1629
P5584
P0
P4705
P3092
P3171
P6571
P7218
P6194
Atom N of residue 10
P4400
P7554
P3650
Atom CG of residue 42
P1734
P1
P6571
P7536
P2367
Atom HA of residue 29
P2992
P10487
P3498
P8309
Atom HD21 of residue 25
Atom HA of residue 72
P7775
P1776
Atom SD of residue 1
P9775
P67
P7377
Atom CG2 of residue 12
P1646
P3
P1899
P8251
Restraint 9
P3622
P6825
P7285
P8088
P5381
P6637
P1525
P6388
P3812
P12529
P6772
Atom OE1 of residue 49
P1874
P2381
P6266
P7405
P6860
P5740
P4231
P1834
P2234
P2053
P2262
P7678
P3783
P5275
P5573
P5001
P3689
P8117
P6560
P6635
P2230
P7470
P3628
P5429
P4815
P7063
P2725
P5030
Atom CE2 of residue 4
P4203
P7555
Atom C of residue 42
P9131
P9705
HIS
P6107
P3612
P2060
P6760
P2037
P6231
P4091
P1846
P5583
P2101
P7776
Atom OD1 of residue 39
P3688
P3881
P2436
P7921
P13483
Atom HG23 of residue 13
Atom HD11 of residue 3
P7284
P6598
P5794
Atom H of residue 13
P7995
P2
P4393
P6359
Atom HG21 of residue 9
P5089
P5261
P6203
P2676
P7996
P6965
P6267
P5768
P4270
P6731
P5611
P6455
P3251
P4364
Atom H of residue 13
P8252
P7210
P8182
P387
Atom N of residue 37
Atom C of residue 61
P4269
P4462
P4
P6284
Atom HD23 of residue 8
P3397
P5648
P1630
P7501
P3121
P5276
Atom HB2 of residue 29
P10488
P112
P2672
P5100
P7733
P8297
P4706
P1648
P6008
P3093
P3172
Model 330
P6572
P4401
P5648
P3651
P2677
P6826
ASP
P1875
P7777
Atom CB of residue 7
P7537
P1777
P9132
P2993
P3586
P3499
P13484
P2235
P5
P7219
P5351
P2457
P1900
Atom C of residue 6
P6561
P11200
P6636
P6210
P7471
P1847
P4816
P5275
Atom HB2 of residue 72
P1597
P3623
P1835
P9706
Atom CA of residue 68
P6638
P6108
Atom HA of residue 13
P3813
P5585
P6773
P6761
P7556
P7406
P6861
P5741
P4232
P3
P1753
Atom CA of residue 37
Atom NE2 of residue 49
P6572
P7930
P3784
P2382
P5574
P5002
P3690
P8118
Atom CE1 of residue 4
P3629
P8310
P1526
P7064
P2726
P4204
Atom HE3 of residue 27
P9776
P4097
P2263
P6966
P6195
P3613
P7734
P6268
P6204
P6732
P4092
P2173
P7378
P5649
Atom HD11 of residue 8
P5382
P12530
P3689
P3882
P6267
P6232
P7211
P7922
P7286
P8183
OptimizerState 3
P5430
P187
P5584
P5795
P4394
P1373
P7679
Atom HZ1 of residue 48
Atom N of residue 20
P5090
P7997
P8089
P7285
P5031
P2061
P2458
P5649
P4271
P5276
P6456
P3252
P4365
P5257
Covariance1DFunction 41
P6389
P6009
P3236
P4270
P4463
Atom HA of residue 13
P2038
P6285
P111
P3398
Restraint 118
P6599
P1631
P7502
P6360
P3122
P5277
P2368
P1598
P10489
P2673
P1649
P5101
P459
P7996
P7220
Atom OD2 of residue 39
P5769
Atom C of residue 8
P6211
P4707
P3094
P3173
P3
P4402
P8254
P3652
Atom HD3 of residue 6
P2678
Atom N of residue 2
P5612
P5353
P8445
P2994
P3500
P13485
P2102
P6573
P7931
P5575
P85
P6562
P6637
P6827
P2174
P7472
Atom C of residue 68
P8311
P1876
P2053
Model 154
P9777
P3624
P9707
P4098
P3814
Atom C of residue 37
P5586
P6573
P6774
P6196
Atom HD22 of residue 8
Model 194
P4233
P11201
P6733
P5383
Atom HB3 of residue 72
P7538
P3785
P3691
P7923
P3630
P6109
P2264
P1754
Atom N of residue 50
P2727
P7680
Atom HZ2 of residue 48
P6762
P4205
P7998
P8090
P6390
P6967
P0
P3614
P5032
P7735
P3587
P4093
P7379
P6639
P1527
Atom HG22 of residue 13
P12531
P1374
Atom HB3 of residue 2
P1901
P6457
P3690
P3883
P2438
P7557
P2369
P6268
P88
P6862
P5742
ListSingletonContainer470
GeneralizedGuinierPorodFunction 44
Atom HB2 of residue 27
P7287
P8184
P5796
P4395
P2062
P8119
P5258
P6205
Atom HE21 of residue 31
P6600
Atom O of residue 37
P4817
P7065
Atom CA of residue 12
P6269
SER
P1780
P6233
Atom CB of residue 9
P4272
P7212
P5277
P2459
Atom H of residue 39
P3253
P5770
P4366
P2383
P4862
P7407
P5003
P9133
P2039
P1836
P2236
P1735
P5431
P2103
P6361
P4271
P4464
P6286
Atom HE2 of residue 6
P3399
P6010
P7778
P5354
P7503
P3123
P5091
P8446
P2674
P5102
P5585
P7997
P7932
P6828
Atom HG2 of residue 27
P4708
Atom HA of residue 59
P5650
P7286
P3095
P3174
P7221
P4403
P3653
P6212
P5613
P3
Atom HB of residue 13
P5587
P6574
P2995
P3501
P11202
P2175
P113
P388
P1632
Atom HG2 of residue 72
P6574
P7539
P5278
P7408
P5650
P10490
P3588
P6110
P4818
Atom HG21 of residue 17
P6763
P9778
ListSingletonContainer468
P3625
P7288
P9708
P1848
P1650
P3815
P6775
P3232
Atom O of residue 11
P5576
P4234
P7380
Atom O of residue 68
P6640
P0
P1877
P6197
P3786
P7558
P8253
ListSingletonContainer36
P3692
P6863
P5743
P3631
P12532
P2728
P7681
P4206
P6269
P8120
P6563
P6638
Atom C of residue 13
P7473
Atom C of residue 23
P8091
P1528
P6391
P7066
Atom H of residue 49
P3615
P5033
P6270
P1902
P2370
P6234
P7213
P7924
P4094
P13486
P3691
P3884
P4863
P5004
P1599
P1837
P2237
P7999
P1736
P5797
P1755
P4396
Atom HG22 of residue 17
P5771
P1781
Atom CA of residue 12
P6206
P6734
Atom O of residue 14
P8312
Atom CB of residue 69
P5432
P6601
P7779
P2460
Atom HD3 of residue 11
P2384
P7409
P5092
Restraint 67
Atom HD23 of residue 67
P4273
Atom HG12 of residue 13
P7998
P6968
Atom O of residue 7
P7736
P3254
P8504
P4367
Atom HB2 of residue 59
P5384
P4272
P4465
P9138
P6287
P3400
P5651
P8185
P5614
P1445
P5355
P7504
P3124
Atom HB2 of residue 8
Atom HG3 of residue 27
P2803
P1849
P5103
Atom HD22 of residue 73
P5586
P2265
P1633
P2104
Atom HE2 of residue 48
P5279
P2894
P10491
P4709
P7287
P3096
P3175
P5278
P4404
P5651
P3654
P6829
P2176
P9709
P8313
P6575
P5577
P2996
P3502
P11203
Atom O of residue 23
P188
P7540
P2439
ListSingletonContainer289
P6213
P6011
P5588
P4819
P2063
P6458
P9134
P1600
P6564
P6639
P3626
P7474
Atom CB of residue 68
GaussianProcessInterpolationRestraint 27
P6111
P3816
P6776
P1878
P7933
P6362
P6764
P8255
P47
P4235
P7925
P6735
P13487
P5385
ListSingletonContainer3
P6641
P1651
P1336
P7222
P3787
P5744
P3632
P8000
P1737
P2052
P2729
P6575
P3233
P4207
P7559
P1
P8447
P8121
P2614
P7381
Atom CG of residue 69
P7067
P6198
P3616
P2040
P9779
Atom N of residue 68
P4095
Atom CB of residue 23
P1756
P12533
Atom CB of residue 37
P6969
P7780
Atom HG23 of residue 17
P7737
P1
Atom CB of residue 39
P3692
P3885
P8505
P0
P4864
P6270
P5005
P7214
P5798
P4397
P1335
P3693
P3589
P8186
P7288
P1446
P7682
P5093
P4274
Atom HD2 of residue 6
P2804
P8092
P5587
P6393
P5034
P6459
P3255
P4368
Atom HA of residue 49
P5279
P6363
P4273
P4466
P2440
P6288
P6864
P2895
P3401
P2177
Atom HA of residue 38
Atom CB of residue 14
P5433
P2266
P7999
P5356
P7505
P2064
P2461
P5772
P3125
Atom CA of residue 8
P9135
P6207
P11204
P5104
P6602
Atom H of residue 42
P6271
P6235
P10492
P6214
P7289
P4710
P5652
P5615
P1529
P3097
P3176
P5589
P4405
P3655
P8314
P2105
Atom H of residue 72
Atom CE of residue 11
P7934
P1903
P1778
P8256
P8448
P40
P2997
P3503
Atom HG13 of residue 13
P2385
P5578
P2041
P5652
P1838
P2238
P6012
P6576
Atom O of residue 15
P6565
P6640
P3627
P7475
P7382
P3817
P6777
P6199
P9780
P4236
P5386
Atom HD23 of residue 73
P6576
P7223
P7781
P3788
Atom CG of residue 59
P6865
P7926
P6830
P3633
Atom CD1 of residue 69
P2730
P7541
P5280
P4208
P2615
Atom NZ of residue 27
ListSingletonContainer521
P8001
Atom CG1 of residue 23
P1634
P4820
P7683
P3617
P7410
P9136
P1601
P4096
P8093
P12534
P6970
Atom HA of residue 61
P5035
P3693
P3886
Atom CA of residue 20
P4865
P7560
P1831
P6271
P2239
P9710
Atom HB3 of residue 59
P6642
P6112
P5799
P4398
Atom HB2 of residue 49
P1328
Covariance1DFunction 15
Atom HE3 of residue 48
P1752
P6765
P3694
P5745
P13488
Atom HB2 of residue 38
P5653
P8187
P389
P1647
P8000
P1
P5357
P5773
P1349
P8122
P4275
P2805
P1851
P6603
P7068
P6272
P1904
P6460
P3256
P4369
MonteCarlo3
P6236
P5616
P1879
P6364
P4274
P4467
P5006
P6289
P5653
P2896
P3590
P3402
P1839
P5588
P7506
P7935
Atom HA of residue 4
P8506
P3126
P112
P6208
P7215
P2178
Atom CG of residue 68
P5105
P1530
P461
P4
P5281
P2386
P5094
P11205
P6736
P7290
P4711
P6013
P3098
P3177
P2106
P6577
P4837
Atom C of residue 29
P7738
P7
P4406
Atom CD1 of residue 59
P3656
P5434
P6392
P5590
P6577
P1779
Atom HG1 of residue 9
P8257
P8449
P2998
P3504
Atom HD1 of residue 59
P1757
P1443
P7224
Atom CB of residue 15
P2065
P2441
HIS
P13489
ScoreState 27
P2462
P7542
PRO
P10493
P3628
P189
P3818
P6778
P5280
P1350
P7411
P2042
P9781
P6
P4237
P7383
P2267
Atom HG21 of residue 13
Atom HB of residue 61
Atom N of residue 5
P3789
P4866
P7561
P6866
P6831
P9711
P3634
P6643
P7289
P1635
P2731
P8507
P4209
P5746
Atom HA2 of residue 10
P6215
P8315
P7684
P3618
Atom O of residue 30
Atom C of residue 20
P1832
P5579
P8123
P6566
P6641
P8194
P7476
P8094
Atom CD2 of residue 69
P1758
P7069
P5036
P7739
P6273
P3694
P3887
P5387
P6113
P5800
P4399
P1880
P8203
P1753
P6766
P5007
P1602
P3695
P3591
P1852
P1749
P5589
Atom HB3 of residue 49
Atom HG13 of residue 3
P5774
Atom CA of residue 68
P4276
P7927
P2616
P6737
P1313
P2806
P6604
P8001
P6200
P3257
P4370
P5095
P6209
P8002
Atom N of residue 74
P12535
P6971
P5281
Atom O of residue 29
Atom HG23 of residue 9
P4275
P4468
Model 35
P6272
P6237
P6290
P2897
P3403
P2180
Atom ND1 of residue 68
P5617
P7507
P1905
Atom O of residue 20
P3127
Atom HG23 of residue 22
P7216
P8188
P5106
P463
P5282
P17
P1840
P6394
P3099
P3178
P6578
P2463
P6461
Atom CB of residue 30
P1347
P4407
P3657
P10494
P8197
Atom O of residue 10
P5435
P6365
P2387
Atom CD2 of residue 59
P8258
P2999
P3505
P5654
P6014
P1444
Atom HG12 of residue 61
P7782
P2066
Atom CA of residue 19
P7412
P9137
P6832
P13490
P114
P4712
Atom HD2 of residue 59
P3
Atom HG23 of residue 13
P5358
P7936
Atom CG of residue 15
P7543
P3629
P6216
P8316
P2268
P3819
P6779
P7225
P5654
P6567
P4238
P11206
P6642
P7477
Atom H of residue 69
P6578
P3790
P5096
P8451
P20
Atom HG3 of residue 6
P9712
P3635
P5388
P1738
P6644
P1531
P7290
P6114
P5591
P2732
P8508
P1348
P6767
P4210
P5747
P7291
P3619
P2442
P5580
P2043
P8124
P6738
P5655
P2107
P1379
P7070
P6201
P7783
Atom CG of residue 15
P7740
P3695
P3888
P1603
P9782
P7928
ARG
P5801
P4400
P6972
Atom CB of residue 29
Atom HD21 of residue 8
P5008
P3696
Atom C of residue 68
P6867
P7384
P12536
LEU
P5655
P4277
P7217
P2617
P2240
P8189
P5590
P1636
Atom HG2 of residue 49
P7685
P6274
P3258
P4371
P21
P8003
P8095
P390
P1343
P6395
GLN
P5282
P5037
P1942
P6462
Atom NE2 of residue 2
P4276
P4469
P7562
P6273
P6291
P2898
P3404
P7292
P5359
P7508
P6366
P1754
P3128
P4867
P8259
P6210
P2807
P5436
P5107
P6015
P5775
ILE
P1835
P7413
P6238
P3592
P6605
P3100
P3179
P7937
P1906
P4408
P3658
P10495
P8198
Atom HD12 of residue 13
P8002
P1881
P7226
P2067
Atom CG1 of residue 30
P8202
Atom C of residue 42
P5097
P3000
ListSingletonContainer290
P3506
P1841
P4822
ModelScoringFunction4
P6
P2181
P4713
P1325
P5656
P1344
P5618
P1739
Atom C of residue 40
Atom CD1 of residue 15
P5283
P2388
Atom CE1 of residue 59
P3630
P1308
P3820
P6780
P6579
P2443
P5581
P6568
P4239
P11207
P6643
P7929
P6833
P6217
P7478
P1533
P7784
Atom CE1 of residue 45
P3791
P9783
P5656
P7293
P9713
P3636
P12537
P5592
P6579
P2733
P4211
P6868
P2108
P3620
P7544
Atom CA of residue 42
Atom C of residue 56
Atom CD2 of residue 68
P6115
P7686
P6275
P3696
P3889
P6768
P4868
P18
P6739
P13491
P8004
P8096
P5802
P4401
P1380
P6973
P6202
LYS
P5038
P7563
P3697
P1315
P2241
P7385
P6645
P1760
P1637
P1755
P6274
P8450
P4278
P5748
P2618
P8190
P1850
P8317
P5437
P1943
P2464
P3259
P5776
P4372
P1604
P8125
P6239
P190
P6396
P6606
P4104
P7071
Atom HG3 of residue 49
P7741
P8509
P4277
P4470
P2
P6292
P2899
P1
P7218
P3405
P5389
P7291
P2269
P462
P1882
P5360
P7509
Atom CD2 of residue 15
P3129
P1836
P5009
P6211
P2808
P5108
P4823
Atom HD13 of residue 8
P1907
P2044
P6016
P3101
Atom HB3 of residue 41
Model 400
P5284
P4409
P9139
Atom O of residue 68
P3659
P1842
Atom CE1 of residue 68
P5591
P8003
P5283
P7938
Atom CE2 of residue 59
P3001
P3507
P11208
P2182
Atom HA of residue 69
Atom O of residue 40
P7227
P8204
P2389
P4869
P4714
P9714
Atom HE1 of residue 59
P5619
P3
P5593
P6580
P2
P3631
Atom HD11 of residue 15
P8318
P4
P7292
P3821
P6781
P6580
P6463
P7545
Atom O of residue 56
Atom CZ of residue 59
P10496
P3593
Atom HD3 of residue 11
P4240
P1740
P0
P6116
Atom OE2 of residue 18
P6367
Atom CG2 of residue 30
P3792
P6769
P9784
P13492
P115
P3637
P5390
P5438
P2734
P7785
Atom HG3 of residue 41
P4212
P5582
P8260
P1
P6218
P7386
P6646
P3621
P7742
P2465
P5749
P2270
P7687
P8206
P3697
P3890
P8126
P6569
P6644
P7479
P8097
P0
P5803
P1
P4402
P7072
P5039
P2068
P8510
P2444
P8452
P2045
P3698
P1
P7219
Atom HD11 of residue 13
Atom CA of residue 29
P1756
P7564
P5010
P4279
P2619
P6834
P8005
P1571
P6203
P1944
P3260
Atom CZ of residue 59
P4373
P7414
P9140
P5657
P7293
P6397
P6607
P4105
P6464
P4278
P4471
P6275
P1605
P6293
P2900
P3406
P8004
GeneralizedGuinierPorodFunction 38
P6974
Atom HE21 of residue 49
P5284
P7510
P6368
P5777
P3130
P6869
P6740
P2809
P5109
P1534
P2109
P5657
Atom CB of residue 68
P3594
Atom HE2 of residue 59
P8191
P5620
P1759
P3102
P1883
P6276
P4410
P3660
Atom HB3 of residue 69
P5592
P12538
P1381
P8261
P3002
P10497
P3508
P7930
Atom NE2 of residue 68
P5362
P2466
Atom CD1 of residue 30
Atom HG21 of residue 66
P7415
Atom HG2 of residue 6
P6212
P7294
P4715
P6581
Atom HB of residue 9
P5583
P6240
P11209
P3632
P6835
P6219
P8319
P1
P3822
P1640
P4824
P6782
THR
P7546
P4241
P391
Atom HD12 of residue 15
P1741
P6017
P5594
Atom H of residue 14
Atom HE21 of residue 41
P3793
P1833
P35
P6570
P6645
P7480
P3638
P5391
P6117
P2735
P7939
P6770
P4213
P8453
P6870
P6647
P7228
P3622
P7743
P1908
P5285
P5750
P8006
P6204
P6581
VAL
P2069
P3698
P3891
Atom HG23 of residue 66
P9141
P8127
P1843
P7387
P1535
P6398
P5804
P6
P4403
P7073
P3699
P9785
P1572
P2271
Atom CB of residue 40
P6975
P2390
P5011
P4280
P7220
P2620
P13493
P2179
P7786
P3261
Atom O of residue 24
P4374
P8192
P7688
P6277
P6465
Atom OH of residue 59
P4279
P4472
P4873
P7565
P6276
P6294
P2901
P3407
P9715
P8098
P5593
P12539
P2110
P1382
P7511
P5040
P1945
P6369
P3131
P58
Atom HA of residue 6
P7931
P6741
P2810
P5110
P191
Atom HE22 of residue 49
P1757
P8511
Atom CB of residue 4
P2445
Atom OH of residue 59
P7416
P2046
P10498
P7295
P8005
P3103
Atom C of residue 3
P5286
P4411
Atom HG23 of residue 7
P6241
P3661
P5439
P6608
P4825
Atom CB of residue 56
P8262
P3003
P3509
P5658
P5621
P1742
P5595
P1884
P5778
P1606
P6213
P4716
Atom N of residue 18
P1641
P2391
Model 216
P3633
P13494
Atom HD12 of residue 73
P3823
P6783
P5584
P5658
P4242
P6018
P5285
P6582
Atom CA of residue 17
P3794
P2120
Atom CG of residue 68
P6571
Atom HD21 of residue 8
P6646
P7481
P7388
P9716
P3639
Atom HD13 of residue 13
Atom HA of residue 14
P2736
P7940
P4214
P8454
P9786
P6871
P3595
Atom CG of residue 40
P6582
P7229
P5361
P3623
P8512
Atom N of residue 67
P1834
P1844
P8320
P1909
P8207
P1
P7547
P3699
P3892
P114
P8007
P7294
P5805
P4404
P7689
P7744
P6278
Atom HA of residue 3
P4874
P7566
P9142
P3700
P8099
P5392
P464
P6976
P5041
Atom CG of residue 24
P4281
P7932
P2621
P6836
P6742
ListSingletonContainer522
P6220
Atom HG of residue 69
P6648
P1536
P6118
P7787
Atom HE22 of residue 41
P2467
P3262
P4375
P6771
P2446
Atom H of residue 59
P5751
P8193
P5440
Atom C of residue 1
P2272
P8006
P1383
Atom H of residue 1
P1946
P4280
P4473
Atom N of residue 8
P8128
P6295
P2902
P3408
P7296
P6609
P12540
P7074
P5286
P7512
Atom N of residue 11
P3132
Atom CG of residue 56
P2811
P5622
P5111
Atom HD13 of residue 73
Atom H of residue 30
P5779
Atom H of residue 59
P5012
P1607
P3596
P5594
P3104
P6205
P2070
P5287
P4412
P7417
Atom ND1 of residue 68
P3662
P6214
P7221
P4826
P1885
P6466
P2395
P6277
P6242
P3004
P3510
P11210
GLU
P6399
P6019
P1826
P6370
Atom HD22 of residue 8
P4717
Covariance1DFunction 66
P5596
P1384
P7941
P8208
P10499
P3634
P13495
P5659
Atom HD11 of residue 69
P3824
P6583
P6784
P7230
Atom OE1 of residue 2
P2047
P4243
P8321
P6583
P7548
P3795
P1758
P8264
P9717
P3640
Atom O of residue 42
P7295
Atom OE2 of residue 16
Atom HB2 of residue 4
P2737
P5363
P7745
P4215
P8455
P9787
P5659
P7389
P392
P5393
P1743
P2111
P3624
P8513
P1462
P6837
Atom O of residue 43
P6221
P2679
P6649
P7788
Atom N of residue 42
P3700
P3893
P5752
P5441
P5806
P2273
P4405
P7690
Atom HA of residue 30
P5585
P3701
P8129
P6572
P6647
P7297
P7482
P8100
P12541
P7075
P1318
P5042
Model 83
P4282
P6872
P2622
P1570
P6136
P6119
P1
P3263
Model 212
Atom HA of residue 59
P4376
Atom C of residue 11
P6772
P5013
P0
P5595
P6400
P1638
P6206
P6279
P4281
P4474
Atom CD1 of residue 56
P6296
P2903
P3409
P6743
Atom NE2 of residue 2
P1532
P6610
P8007
P5287
P7513
P1910
P6467
Atom HA of residue 66
P3133
P8008
P6977
Atom N of residue 7
P2071
P6371
P5780
P9143
Atom HB3 of residue 6
P5623
Atom N of residue 14
Atom HD21 of residue 73
P3105
Atom C of residue 17
P4413
P2447
P3663
P7222
P7933
P5660
P4827
P0
P2468
P2397
P7567
P6278
P2048
P1608
Atom CD2 of residue 68
P3005
P3511
P1847
P1744
P2112
P10500
P1
P6215
P11211
P4718
P2680
P5364
Atom NE of residue 42
P8209
GLU
P8456
P6243
P5660
P3635
P7296
P6020
Atom CA of residue 40
P3825
P6584
P6785
P5288
P4941
P4244
Atom CB of residue 43
Atom HG12 of residue 23
Atom HD12 of residue 69
Atom H of residue 16
P7942
P1947
P7549
P3796
P7418
P6838
P3641
Atom HD13 of residue 23
P7231
Atom C of residue 4
P2738
P4216
P6573
P6648
P116
P7483
P192
P3625
P6873
P1924
P6650
P6137
P6120
P5597
P1385
P3701
P3894
P6773
P1463
P5753
P3597
P11212
P6222
P5807
P4406
P1886
P6584
P6280
Atom CG of residue 1
P5586
P67
P3702
P8130
P6744
P13496
P9718
P5442
Atom CG of residue 37
P7076
P7789
Atom HB of residue 30
P8263
P9788
P4283
P2623
P12542
P6978
LEU
P3264
P4377
P5014
P7390
P8322
Atom N of residue 24
P6401
P1639
Atom CB of residue 32
P7746
P1911
P4282
P4475
Atom CE2 of residue 59
P2049
P6297
P2904
P7223
P3410
P7934
P5596
Atom HG of residue 73
P4828
P6207
P7691
P7514
P1759
P8514
P3134
P7568
P8009
P8101
P5394
P5043
Atom CD2 of residue 56
Atom HG22 of residue 7
P9144
P3106
Restraint 146
P2469
P4414
P6244
P3664
P1848
P5661
P7297
P6021
P5365
Atom CB of residue 17
P0
P5289
P3006
P3512
P1745
GaussianProcessInterpolation50
P6611
P5288
P7943
P10501
P6216
P4719
P2681
Atom N of residue 29
P8008
P7232
P5781
P1609
P5661
Atom O of residue 40
P3636
Atom H of residue 12
P2274
P3826
P2113
P6786
P1948
P4942
P4245
P5624
P8323
P6468
P3797
P7419
P2051
P3642
THR
P5598
Atom CA of residue 50
P2739
P6585
Atom HD12 of residue 8
P6372
ILE
P2448
P4217
P5587
P6574
P6649
P13497
P7298
P7484
P9719
P1925
P5395
P1386
P7790
P3626
P8205
Atom HA of residue 33
P8297
P9789
P6138
P6585
P1887
P2072
P3702
P3895
Atom HD1 of residue 59
Atom H of residue 10
Atom HB2 of residue 69
P5808
P4407
Atom HG2 of residue 41
P7747
P7550
P6279
P1610
P3703
Atom CG of residue 40
P7935
P6839
P6121
Atom HE of residue 54
Atom HB3 of residue 18
P7692
P1860
P8515
P6774
Atom CB of residue 18
P8
P4284
P11213
P2624
P6745
P6223
P8010
P8102
P6979
P5044
P3265
P4378
Atom H of residue 56
P8457
P9145
P7391
P6651
Atom HD11 of residue 73
P1912
Atom HG12 of residue 30
P4283
P4476
P1464
P6298
P5754
P2905
P3411
P7299
P5662
P12543
Atom CG of residue 32
P3
P7515
P6469
P3135
P2396
P8131
P3598
P4223
P6612
P7077
P5289
P6373
P7569
P6874
P7224
P393
LYS
P2119
P5443
Atom HG23 of residue 23
P3107
P6208
P5782
P4415
P5015
P5662
P3665
P6403
P2275
P5366
Model 17
P6281
Atom HG of residue 56
P10
P3007
P3513
Atom CA of residue 43
P6022
P5599
P4106
P6280
P7420
P4720
P2682
P5597
P8009
P7944
P2073
Atom CG of residue 18
P3637
P3827
Atom HB2 of residue 59
P2114
P6787
P7233
P7551
Atom HB3 of residue 33
P8298
P4246
P5625
P8324
P1969
P6586
Atom HG21 of residue 3
P2470
P3798
Atom HD2 of residue 59
P2449
P3643
P2740
P6586
P1761
Model 36
P4218
P8458
Atom CD of residue 40
P10502
P6217
P5396
P6122
Atom CA of residue 14
Atom HH11 of residue 54
P3627
Atom HD12 of residue 56
P6775
P6245
P9790
P6875
P11214
Atom C of residue 43
P1845
Atom CG of residue 25
P6139
P4829
P7791
P3703
P3896
P5290
P5588
P7392
P6652
P193
P5809
P4408
P5045
P1949
Atom CG1 of residue 17
P7748
P6282
Atom HG13 of residue 30
P1611
P3704
P5755
Atom CG of residue 11
P6840
P117
P6224
P7300
Atom HD11 of residue 23
P12544
Atom HD1 of residue 59
Atom C of residue 50
Atom O of residue 32
P7693
P0
Atom HA of residue 9
P8132
P6575
P4285
P6650
P2625
P7485
P8103
P7078
Atom HZ3 of residue 6
P3266
P6
P4379
P1465
P99
P7225
P13498
P1926
P6209
P4284
P4477
P5016
P6299
P2906
P3412
P8011
P7298
Atom C of residue 14
P1888
P7516
P6470
P3136
P8299
P9146
P9720
P5663
P4224
P6613
P1913
P6374
P4107
P7936
P5444
P8010
P3108
P6980
P5367
P5783
P8516
P1324
P4416
P2450
P3666
P6746
P5598
P4830
CHARMMStereochemistryRestraint8
Atom HD21 of residue 25
Atom CA of residue 1
P5291
P4938
P7570
P5663
P3008
P3514
P11215
P5626
Atom CG2 of residue 17
P7
Atom CD of residue 18
P6281
UnaryFunction16
P4721
P2683
Atom ND2 of residue 25
P1762
P10503
P3599
P3638
P1970
P7299
Atom O of residue 14
P3828
P6788
P7552
P7421
P6246
P4247
P2115
P6587
P2074
P2471
P3799
P1311
P1831
P5589
P3644
P6402
Atom OD1 of residue 32
P5290
P2741
P4219
P8459
Model 252
ListSingletonContainer387
P6218
P6841
P13499
P9721
P6023
Atom O of residue 50
P3628
P6576
P6876
P6651
P1846
P7486
P6123
P4
P7945
P1950
P3704
Atom HD13 of residue 56
P3897
P8517
Atom HA of residue 56
P6776
Atom CD of residue 11
P1306
P8325
P6653
P5810
P7
P4409
P7234
P7749
P6283
P3705
P5756
P8012
PRO
P2276
Atom O of residue 14
P6587
P9147
P8133
P4286
P2626
P7301
P7393
P1927
P5397
P1746
P6140
Atom HD2 of residue 59
P7079
Atom CB of residue 32
P3267
P4380
P9791
P7937
Atom CA of residue 29
P5445
P5599
P6981
P1889
P4285
P4478
P5017
P6300
Atom OE1 of residue 40
P2907
P7226
P3413
Atom HD22 of residue 25
P7792
P7517
P5046
P3137
P1832
P7571
Restraint 116
P4225
Atom CB of residue 14
P5600
Atom OD2 of residue 32
P0
P5291
P7694
Atom HD22 of residue 15
P4108
P1612
P1307
P8104
P3109
P1763
P4417
Atom HD3 of residue 11
P70
P3667
P3600
P6747
Atom C of residue 38
Atom HG12 of residue 3
P7300
P2278
P4831
P1914
P5292
Atom HG2 of residue 33
P7422
P3009
P3515
P394
P1
Atom HH12 of residue 54
P8011
P12545
ALA
P6471
Atom HB2 of residue 59
P8265
P4722
P2684
P6614
Atom H of residue 17
P6375
Atom HB2 of residue 56
P10504
P3639
P5664
Atom H of residue 25
P5627
P3829
P6789
P6210
P5784
P6219
P4248
P6404
P3800
P1466
P6247
P6577
P3645
P8326
P2742
P7750
P5590
P6282
P20
P5664
P11216
P13500
P6225
P9722
P6024
P6588
P3629
P2075
P4875
Atom HG2 of residue 31
P2242
LYS
P6652
P7487
P7394
P5398
P1747
Atom CB of residue 50
P5368
P7946
P3705
P3898
P8518
P9792
P5811
Atom CG2 of residue 17
P6588
P4410
P7235
P4220
Restraint 2
P3706
Atom NE2 of residue 40
ListSingletonContainer347
P8013
P2472
P7553
P2451
P8461
P4287
P2627
Atom C of residue 29
P6141
P5601
P2116
P7695
Atom CB of residue 14
P3268
P4381
P9148
P6877
P6842
P8105
P6982
P5047
P1764
P4286
P4479
P2051
P6301
P2908
P3414
P7938
P6748
P1971
P6654
P6124
P1323
P7793
P7518
P6284
P6376
P3138
Atom HG3 of residue 33
P6777
P5757
Atom HG3 of residue 6
P4226
P5446
P8012
P12546
P5292
Atom HG21 of residue 30
P6472
P2052
Atom HD21 of residue 56
P4109
P8134
Covariance1DFunction 43
ListSingletonContainer523
P6615
Atom OG1 of residue 14
P3110
Atom H of residue 32
Atom HG21 of residue 3
P7080
Model 401
P4418
P0
P1467
P1613
P3668
P7302
P5628
P2279
P6211
P5785
Atom HB3 of residue 59
P5018
P3010
P3516
Atom O of residue 38
P7301
P6405
Atom C of residue 81
P1951
P4876
P7423
P7227
P4723
P2685
P1760
Atom HH22 of residue 54
Atom CB of residue 68
P5369
P6283
P3640
P6226
P5665
P6025
P3830
P6790
P2076
Atom HB3 of residue 56
Atom HE21 of residue 31
P3601
ListSingletonContainer291
P4249
P1928
P4832
P7947
P3801
P5293
Atom CA of residue 11
P7572
P3646
Atom CA of residue 2
P6589
P1890
P7236
Atom CG of residue 32
P2743
P1916
P1765
P2243
P5665
P6220
P11217
P6843
P13502
P6589
P3630
Atom O of residue 17
P7554
PairPredicate 7
P6248
P10505
Atom O of residue 25
Atom O of residue 29
P1972
Covariance1DFunction 90
P5602
P3706
P3899
P9793
P6878
Atom CA of residue 11
P7395
P5600
P5812
P4411
Atom HD23 of residue 15
P1835
P4221
P3707
P6578
Multivariate Normal distribution 18
P6655
Multivariate Normal distribution 27
Atom H of residue 17
P2117
P7794
P6285
P1328
P4288
P5758
P2628
P9723
P5447
P6142
P7696
Atom CA of residue 70
P3269
Atom HD22 of residue 56
P4382
P5591
P8135
P6653
P7488
P8106
P7081
Atom HA of residue 25
P5048
P1952
P4287
P4480
P6302
P2909
P3415
P8327
P6125
Atom HE1 of residue 59
P7519
P2473
P6377
P3139
P6778
P5019
P8014
P4227
Atom CD1 of residue 23
P4110
P8519
P1314
P6749
P1929
P5399
P6616
P8013
P3111
P12547
P4419
P2452
P8460
P3669
P7303
P5666
P1750
Atom C of residue 29
Atom CG2 of residue 14
P6983
P1891
Atom OD1 of residue 32
Atom O of residue 81
P7751
P5786
P9149
P3011
P3517
P5629
P6406
P4833
Atom H of residue 11
P6212
Atom HD13 of residue 73
P5294
P4877
P7573
P1468
P7228
P7939
P4724
P2686
P2
P5293
P5370
Atom HG23 of residue 30
P2
P5666
P11218
P3641
P3831
P6791
Atom HG1 of residue 7
P6249
P10506
P4250
P194
Atom HA of residue 23
P3802
P1316
P3647
P8328
P5601
P6026
P6590
P2744
P6473
P1322
Atom HG of residue 56
P2454
P6221
P7302
Atom HA of residue 5
P7948
P3631
P7555
P7424
P6227
P9724
P5400
P6126
Atom HE2 of residue 59
P7237
P3707
P3900
P1836
P6579
P6654
P7489
P5813
P2280
Model 119
P4412
P7752
P4222
Atom HG3 of residue 1
P3708
P395
P1973
P6656
Atom HG21 of residue 7
P6779
P6284
P4289
P5759
P3602
P2629
P118
P8015
P6143
Atom N of residue 55
P8201
P6590
P3270
P8520
P4383
P5592
P8136
P115
P6750
P5448
P7082
P7795
Atom HD21 of residue 73
P2474
Atom HD12 of residue 44
P4288
P4481
P1
P9794
P6303
Atom CB of residue 40
P2910
P3416
P7304
P1751
P5603
P6984
Atom HB2 of residue 25
P7520
P3140
P5020
P6228
P7396
P4228
Atom CG of residue 50
P2077
P6474
P4111
Atom HB2 of residue 33
P8462
P7229
P3112
P5294
P7697
P1915
P6378
Atom HD11 of residue 30
P3
P4420
P6879
P3670
P13501
P8107
P1930
P5049
P1953
P1766
Atom HE22 of residue 31
P9150
P3012
P3518
P6844
Atom O of residue 29
P6407
Atom H of residue 14
P12548
Atom OD2 of residue 32
P6286
ListSingletonContainer578
P7940
P4725
P2687
P5667
P5602
P6027
P1892
P1318
Atom HD11 of residue 56
P7574
P6285
P3642
OptimizerState 0
P6617
P3832
P2118
P6792
P6213
Atom HG13 of residue 23
Atom HG22 of residue 9
P7949
P1469
P10507
P4251
P8014
P7238
P5787
P3803
Atom CG2 of residue 9
P2453
P5667
P11219
P3648
P8329
THR
P8202
P2745
Atom HD11 of residue 56
P4879
P2244
P5630
P7303
P5372
P3632
P7425
P3
Atom HD13 of residue 8
P5401
P2281
Atom CG2 of residue 14
P6591
P1
P3708
P3901
P5593
P6580
P6880
P6655
P7490
P5814
Atom HB3 of residue 59
P4413
P4834
P7796
Atom N of residue 82
P7753
P5295
P3709
P9795
P3603
P5604
P6591
P6287
P8379
P4290
P6222
P2630
P4088
P8016
P1748
P6144
Atom HB3 of residue 56
P2078
P3271
P7556
P4384
Atom NH1 of residue 42
P8463
P6250
P6229
P4223
P1974
Atom OE1 of residue 51
P7698
P6379
Atom HD12 of residue 30
Atom HD12 of residue 3
P4289
P4482
P6780
P6304
P5760
P2911
P3417
P6845
P6751
P8108
P6985
P7521
P5050
Atom HD22 of residue 73
P1767
P3141
Atom N of residue 32
P9151
P7397
P4229
P6657
P6408
P12549
P2119
P6475
P0
P4112
P8369
P2245
P7941
P7305
P9725
P5668
P3113
Atom CD1 of residue 50
P4421
P8137
P3671
P6618
P7083
P6214
P8521
P3013
P7230
P3519
P5449
P4835
P5788
P5296
Atom H of residue 42
Atom H of residue 9
P5021
P5668
Atom CB of residue 39
P11220
P4726
P2688
P195
Atom HA of residue 14
P3
Atom HZ2 of residue 6
P1954
Atom HD13 of residue 44
P1470
P6286
P3643
P1931
P7304
P6127
P6028
Atom HG3 of residue 29
P3833
P6793
P7426
P4252
P8015
P1893
P2020
P7950
P3804
P7575
P1
P3649
P8203
Atom HG of residue 56
P7239
P2746
ALA
Atom CG of residue 33
P5631
Atom CA of residue 55
P5605
P6592
Atom OE2 of residue 51
P5295
P3633
Atom CG of residue 42
P8380
P9726
P5603
P6592
P7557
P3709
P3902
Atom NE of residue 42
P6251
Atom OD1 of residue 39
P6881
P10508
P116
P5815
P4414
Atom H of residue 14
P8522
P1833
P3710
P9796
P5761
P3604
P6846
Atom CB of residue 2
P8330
Atom CB of residue 29
P7797
P7699
P2475
P6288
P5594
P4291
P6223
P2631
P7398
P1975
P6658
P6145
P1333
P3272
P4385
P4878
P8370
P8464
P7306
P4224
P396
P5402
Atom N of residue 121
P5371
P4290
P4483
P8138
P6305
P6581
P2912
P3418
P6656
P7491
P8109
P7084
P7522
P5051
P7754
P1768
Atom CA of residue 23
P3142
P2335
P7231
P119
Atom CG1 of residue 23
P4113
P5022
Atom HB of residue 9
Atom CD1 of residue 8
P8017
P2277
P3114
P5296
Atom HD12 of residue 56
P4422
P9152
P3672
P6230
P5669
P6619
Atom HD2 of residue 29
P2120
Atom CD2 of residue 50
Atom HA of residue 7
P3014
P3520
P7942
P4230
P5450
P4836
P6986
P1955
P5789
P5297
P1834
P7576
P6752
P4727
P2689
P1932
P6476
P6380
Atom HA of residue 42
P6781
P5669
P10509
P11221
P3644
P5632
P6128
Atom CA of residue 22
P3834
P8205
P6794
P2021
Atom NH2 of residue 42
P4253
GLN
Atom CG of residue 29
P5604
P8016
Atom CA of residue 3
P2079
P3805
Atom CD of residue 33
P2455
P3650
P7305
P12550
P1894
P2747
P2476
Atom CG1 of residue 3
Atom N of residue 45
P7427
P8331
P6409
Atom HH21 of residue 54
P6593
Atom HD11 of residue 56
P3634
P5595
P6287
THR
P1
P9727
P7
Atom H of residue 51
P6215
Atom HD11 of residue 8
Covariance1DFunction 37
P7558
P3710
P3903
P6224
P5403
Atom HG3 of residue 2
P6029
P5816
P4415
P8523
P3711
P6252
Atom OD2 of residue 39
P6582
P6657
P0
P7492
P7951
P7755
Atom HD13 of residue 56
P4880
P4292
P2632
P6847
P6659
P6146
P7240
P5373
Atom HD23 of residue 73
P3273
P4386
P6782
P1471
P8371
P8465
P5762
Atom CD2 of residue 8
P4225
P8018
P5606
Atom H of residue 12
P6593
PHE
P4291
P4484
Atom HG3 of residue 31
P9153
P8139
P6306
P6882
P2913
P2
P3419
P6231
P7307
P7399
Atom CB of residue 27
P7085
P7523
P3143
P9797
P7943
P5451
P6987
P7700
P6289
P4114
P5023
P3605
P7232
P3115
P8206
LYS
P5297
P7798
P2080
P6477
P6381
P4423
P8381
P3673
Atom CB of residue 81
Atom HE3 of residue 11
P3015
P3521
P8110
P4231
P5605
P6410
P4870
P5052
P10
P2246
P6753
P4728
P2690
P7306
P12551
P2121
P7428
P10510
Linear1DFunction 13
P3645
Atom CD of residue 27
P1976
Atom CD of residue 29
P3835
P6795
Model 358
P1769
P6288
P4254
P6620
Atom HB of residue 14
P6216
P2477
P4
P3806
Model 241
P8365
P6225
Model 95
Atom HG3 of residue 19
P3651
P5670
P5633
Atom CA of residue 121
Atom C of residue 27
P2748
Atom N of residue 74
P5790
P5298
Atom HB3 of residue 73
P1330
Atom H of residue 50
P3635
Atom HG11 of residue 17
P4881
P1933
P8017
P5374
Atom CD1 of residue 61
P3711
P3904
P5596
P8466
P5670
P11222
Atom CG2 of residue 26
P6030
P5817
P5607
P4416
Atom HD12 of residue 56
P6594
Atom O of residue 37
Atom HB2 of residue 42
P7577
P3712
P6583
P6883
P6658
P7493
P7400
Atom HA of residue 51
P7952
P1956
P1770
Atom HA of residue 11
P8382
P1472
P2247
P9798
P4293
P2633
P6147
P6129
Atom C of residue 4
P6594
P7241
P6290
P3274
P4387
Atom HD21 of residue 56
P1430
ListSingletonContainer37
P6253
P4226
P9728
P8019
P2022
P7559
P4292
P4485
P6307
P2914
P3420
P1734
ScoreState 18
P7701
P7524
P2
P1375
Atom CA of residue 45
P3144
P9154
P6232
P8111
P8332
P4871
P6988
P1895
P5053
P4115
Atom HG of residue 73
P2456
P8140
P7944
P6754
P6660
P3116
Atom HD13 of residue 56
P7799
Atom HZ1 of residue 6
P6382
P8524
Atom CE of residue 33
P4424
Model 37
Atom H of residue 39
P5763
P3674
P6848
Atom HD2 of residue 19
P5404
P5452
P3016
P3522
P4232
P6411
P6130
P6621
P2122
P7086
Atom OG of residue 81
P7756
P2081
P8366
P3606
P7308
P4729
P5634
P1977
P5791
P5299
P6783
P5024
P3646
ListSingletonContainer524
Atom HA of residue 26
P7307
Atom HB3 of residue 29
P3836
P12552
P6796
Atom HA of residue 50
P5298
P2478
Atom HG12 of residue 17
P7429
P7233
P4255
P397
P196
P8018
Atom HB2 of residue 51
Atom O of residue 27
P3807
P3652
P5671
Atom HG13 of residue 26
P6031
P6217
P2749
Atom HB3 of residue 42
P7578
P1934
P8333
P5606
LEU
P7953
P3636
P6478
P4882
P10511
P0
P6595
P7242
P5375
Atom HD13 of residue 30
P3712
P3905
Atom NZ of residue 33
P1431
P6254
P5671
P11223
P9729
P5405
P5818
P4417
P6595
P1957
P7560
P2457
P3713
P2422
P6226
P1735
Atom C of residue 121
P6131
Atom HG1 of residue 14
P5608
P7757
P8383
P9799
P4294
P2634
P7401
P6148
P2023
P3275
P4388
P6289
P8141
P4227
P6661
P7800
P8525
P4293
P4486
P6308
Atom HA of residue 39
P5764
P2915
P3421
P5453
P1896
P7702
P7525
P3145
Atom HD22 of residue 56
Atom H of residue 7
P5597
P6584
ListSingletonContainer292
P6659
P7494
P8112
P4872
P7087
Atom HD21 of residue 56
P5054
GLN
P4116
P1869
P6622
P3117
ARG
P6479
P6383
P4425
Atom CD1 of residue 3
P6784
P5025
P3675
P6849
P6233
P8020
Atom HG21 of residue 26
P5299
P8467
ListSingletonContainer50
P6884
P3017
P3523
P6755
Atom HD3 of residue 19
P4233
Atom CA of residue 69
Atom CE1 of residue 34
Atom C of residue 45
P1473
P7309
P4730
P5672
Restraint 121
P8207
P6989
P6291
P5792
P9155
P3647
P5635
P5607
P3837
P6797
P2082
P1322
P6290
P10512
P7234
P4256
P7945
Atom CA of residue 27
Atom HG2 of residue 29
P8019
Model 135
Atom HB2 of residue 50
P3808
P0
P5672
P11224
P3653
P6413
P12553
P2750
P8334
Atom HG21 of residue 14
Atom CB of residue 36
P3637
P4883
P7579
P6032
P6596
P6218
P5376
P3713
P3906
P8310
P5406
Atom O of residue 121
P6149
P7308
P5819
Atom C of residue 21
P4418
Atom CB of residue 11
P7954
Model 176
P7561
P1873
Atom H of residue 33
P7430
P3714
P6885
P3607
P1978
P2123
P4838
P7243
P7758
P5300
P1432
P6585
P4295
P6660
P2635
P7495
Atom HG22 of residue 26
P6292
P3276
P4389
P5598
P8468
P2248
P6662
Atom CA of residue 74
P2479
P6384
P2
P4294
P4487
P6309
P5765
P2916
P3422
P6850
P6234
P8021
P7526
Atom CG2 of residue 36
P6596
P3146
P6785
P8142
P6756
P1935
P5454
P197
P7088
P7801
P1958
P4117
Atom O of residue 45
P2458
P8385
P5262
P9800
P6227
P120
P7310
P4228
P3118
P8208
P5609
P6990
P3
P6480
Atom CA of residue 31
P4426
Atom HD11 of residue 73
P5026
P6255
P3676
P7402
P9730
P3018
P117
P7235
P3524
P4234
Atom HG22 of residue 26
P7703
P8526
P4731
P8113
P12554
P1897
Atom CE2 of residue 34
P5055
P2083
P5301
Atom NH2 of residue 42
P3648
P6623
P3838
Atom O of residue 21
Atom HB3 of residue 51
P6798
Atom C of residue 7
Atom HH22 of residue 54
Atom HD23 of residue 56
P4884
P1474
P6291
P2249
P10513
P3608
P4257
P7946
P5673
Atom O of residue 26
P5608
P6033
P6219
P2024
P5377
P3809
P1771
P8311
P9156
P3654
P2751
P7955
P1979
P198
P6132
P4839
P7244
P3638
P5793
Atom HE2 of residue 11
P5599
P5673
Atom CG of residue 39
ListSingletonContainer374
P11225
Atom HG22 of residue 14
P5300
P3714
Atom HE3 of residue 1
P3907
P9731
P5636
P6150
P7309
P5820
Atom C of residue 69
P8020
P2124
P4419
Atom HD22 of residue 56
Atom HG2 of residue 1
P5263
P7580
P7431
P3715
P6886
P1736
Atom HG21 of residue 26
Atom CD1 of residue 36
P6597
P2480
P8527
P6586
P4296
P6661
P2636
P7496
P8335
P0
P6412
Atom HB3 of residue 50
P7802
P1959
P6293
P3277
P4390
P8469
P9801
P6597
Atom HG2 of residue 51
P4295
P4488
Atom HD12 of residue 73
P1433
P6310
P2917
P3609
P3423
P8022
P1936
P5407
P7527
P7562
P3147
P7704
P7759
P4118
P6256
P6228
P6851
P6757
P4229
P8114
Atom HG11 of residue 26
P3119
P5610
Atom CA of residue 18
P6991
P1898
P1325
P2025
P5056
GLN
P4427
P3677
P7403
Atom HG23 of residue 26
P6663
P5301
Atom N of residue 55
P3019
P5766
P3525
P7947
P7311
P5674
P4235
GeneralizedGuinierPorodFunction 47
P6786
P9157
P8143
P5062
P4732
P1737
P6624
P7089
Atom C of residue 74
Model 399
P5302
P2250
P7236
P3649
Atom CD of residue 121
P5455
P199
P6133
P3839
P4840
P6799
P6481
P5794
P2459
P8384
P5027
P5674
P4258
P11226
P6235
P8204
Atom CB of residue 21
P3810
P3655
P7310
P6034
Atom O of residue 69
P8021
P2752
P7581
P7432
P1980
P7956
P3639
P6385
P1772
P8336
Atom HG2 of residue 2
P7245
Atom C of residue 31
P3715
P3908
P2
P6292
P54
P9732
P6151
P5821
Atom HG23 of residue 14
P6598
P4420
Model 38
P5264
P3716
P5408
P5609
P6414
P12555
Atom C of residue 18
P6598
P7563
P8528
Atom CG2 of residue 7
P1475
P4297
P2637
P7404
P5637
P7760
P2084
P3278
P4391
P1434
P9802
P10514
P6852
P5611
Atom HG of residue 50
P6220
P7803
Atom N of residue 10
P4296
P4489
P4885
P5062
P6311
P2918
Model 85
P6229
P3424
P6664
Atom HG3 of residue 51
P5378
P7528
Atom O of residue 74
P3148
Atom N of residue 57
THR
P8312
P6887
P5767
P118
P7312
Atom HG12 of residue 26
P7705
P4119
P8144
P6587
P6662
P5063
P4230
Atom CG2 of residue 22
P7497
P8115
P3120
P7090
Atom HD23 of residue 56
Atom HG of residue 8
P5057
P2481
P6294
P6386
Atom CE2 of residue 45
P4428
P8471
P3678
P7237
Atom OE1 of residue 121
P2125
P5302
Atom H of residue 36
P6482
P2460
P5028
P3020
P3526
P6236
P1738
P8023
Atom N of residue 27
P4236
P200
P6134
P1899
P2026
Atom OE1 of residue 2
P6787
P9158
P121
P4733
P5675
P6625
Atom O of residue 11
P8386
P3650
P7948
P5456
P3840
P6992
P6800
P5795
P1773
P5600
Atom HA of residue 54
P4259
P6758
P3811
Atom N of residue 11
P5063
P6293
P5675
P11227
P3656
P5638
P8022
P4106
P2753
P1937
P6415
P12556
P4841
P3640
P1960
Atom O of residue 31
P5303
P4886
P7311
P5379
P3716
P3909
P7433
P8313
P6258
P1981
P5822
P6599
P4421
P6221
P2
P1476
P3717
P7498
P5610
Atom N of residue 15
P2085
P7564
SER
P4298
P6888
P2638
P6035
P1
P4392
P2251
P6588
P6663
P6152
P7957
P6295
P4297
P4490
P6312
P2919
P3425
P6853
P9733
P6665
1G6J_MODEL1.pdb
P2126
Atom H of residue 18
P7246
P7529
Atom HA of residue 36
THR
GLY
P3
P3149
P5266
P7582
ListSingletonContainer38
P5768
Restraint 115
P8024
P6135
Atom CD1 of residue 69
P5612
P6599
Atom HE2 of residue 6
P3279
P4120
P6788
P9159
P8145
Atom HB2 of residue 54
P6230
P5064
P7313
P4231
Model 309
P8337
P3121
P7091
P1961
P2482
P6387
P4429
P8387
P9803
P3679
P3610
P7949
Atom HB of residue 23
P5457
P6993
Atom CG2 of residue 2
P1774
P8529
P5601
P5029
P3021
P10516
P7238
P3527
P4237
P1938
P5409
P6
Atom CB of residue 11
Atom HG21 of residue 3
P7804
LYS
P5064
Atom CG of residue 79
P6237
P4734
P3077
Atom HD11 of residue 50
P7706
P7761
P3651
P8116
Atom HD2 of residue 33
P3841
P4842
Atom HA of residue 18
P6801
P1900
P2027
P5058
Atom CA of residue 7
P5304
P1435
P4260
P6759
P7312
P5303
P2461
P7434
P8470
P3657
Atom HG11 of residue 26
P4107
P2754
Atom C of residue 55
Atom CA of residue 75
P7405
P5611
P6416
P6626
Atom HA of residue 14
P3641
P4887
P5676
P8338
P1982
P12557
P5380
P6483
P3717
P5796
P3910
P3812
P1477
P8314
P2252
Atom CB of residue 121
Atom CG2 of residue 44
P5823
P4422
Atom HE3 of residue 6
P3718
P7499
P9734
P1739
P5410
P8023
P6222
P7583
P5676
P4299
P11228
P2639
P6036
LEU
Atom CD2 of residue 69
P5613
P6600
P7762
P4393
P6589
P3611
P6664
MD 17
Atom HD3 of residue 33
P6153
P7958
Atom CB of residue 74
P4298
P4491
Atom HE3 of residue 11
P6294
P9804
P6313
Atom N of residue 80
P2920
P3426
P5639
P6600
P7530
P8530
P3150
P5602
P6257
JeffreysRestraint_P0
P1311
P3280
P7565
P4121
Atom O of residue 16
P6231
P5065
P4232
Atom CD1 of residue 44
P3122
P2127
Atom HD12 of residue 50
P7247
P7707
P4430
P8388
P9160
Atom HB3 of residue 54
P3680
P8025
P8117
Atom HA of residue 52
P6994
P1901
P5059
P6484
Atom CA of residue 57
P3022
P3528
P7950
P6760
P4238
P6666
Atom HA of residue 23
P5304
P7805
P1962
P2086
Atom N of residue 12
P5065
P6889
P5769
P10517
THR
P4735
P5458
P3078
P2028
P5265
P8146
P3652
Atom CG of residue 43
P1939
P6627
P3842
P7092
P6802
P6296
P6388
Atom N of residue 31
P6789
Model 222
P8472
P4261
P6238
P7314
P2483
P5797
Atom C of residue 75
P1436
P6295
P5030
P3658
P7313
P4108
Atom OE2 of residue 16
P2755
Atom CD1 of residue 59
P7435
P7239
P7406
P6417
P8024
P3642
Atom O of residue 55
ListSingletonContainer525
P5677
P8339
P6037
Atom HB of residue 14
Atom HG12 of residue 23
P3718
P3911
P3813
P1740
P5612
P5824
P4423
P7959
Atom CG of residue 74
P3719
P5411
Atom CG of residue 121
Atom CA of residue 15
P12558
P6601
Atom HA3 of residue 10
P1785
P5677
P4300
P6890
P11229
P2640
P5640
P6136
P4843
P6601
P7763
P4223
P7566
P5305
P4394
P4889
P2462
P7584
P6667
P6154
Atom HH12 of residue 72
P5614
P7248
P6223
P5382
P6297
Atom CE1 of residue 59
P4299
P4492
P8316
P9805
P6314
P2921
P3427
Atom HE2 of residue 33
Atom HB2 of residue 52
P7531
P3151
Atom CD1 of residue 43
Atom HG2 of residue 1
P7806
P2087
P3281
THR
P4122
P6790
P5770
P5067
P4233
Atom O of residue 12
P3123
P7708
Atom CB of residue 16
Atom C of residue 57
P4431
Atom CB of residue 7
P8389
P16
P8147
P2253
P6590
P3681
P6665
P7500
P8118
Atom HB of residue 44
P1983
Atom H of residue 44
JeffreysRestraint_P1
P7093
Atom HD13 of residue 50
Atom CG1 of residue 36
P5060
P6485
P6389
P8473
P6259
P3023
P3529
P6239
P9735
P4239
P6137
Atom O of residue 75
P5267
P5066
P5031
Atom HG2 of residue 54
P4736
P3079
P8531
P5603
ListSingletonContainer293
P6232
P3653
P6761
P6418
P6628
P3843
P2128
P4844
P6803
P1963
P1775
P5306
P4262
P7315
P8026
P5678
P8025
Atom HG13 of residue 23
P6995
P5798
P6296
P9161
Restraint 68
P3659
P1940
P5613
P4109
P2756
P7240
P7951
P12559
Atom H of residue 16
P3643
P5678
P11230
P9736
Atom CB of residue 69
Atom CD of residue 74
P2484
P3719
P3912
P3814
P5067
P1437
ListSingletonContainer556
P5459
P5825
P4424
P1902
P5305
P3720
CYS
P5414
P471
P6602
Atom HG3 of residue 54
P4301
P3612
P2641
P7314
P6224
P2029
Atom HD3 of residue 6
P7960
P7764
P4224
P7567
P8532
Atom CE2 of residue 59
P4395
P7436
P10518
P8340
P6668
P6155
P2
P6038
P7249
P6298
P4
P4300
P4493
Atom O of residue 57
Atom OG1 of residue 7
P2463
P8390
P2254
P6315
P6591
P6891
P5771
P2922
P3428
P6666
GLY
P7501
Atom HG12 of residue 44
P5641
P7532
Atom CB of residue 55
P3152
P7585
Atom O of residue 7
P6260
P7407
P1741
P6138
Atom C of residue 15
Atom CB of residue 61
P7094
P4123
P0
P5268
P4234
P1984
P3124
P6996
P6602
P1310
P4432
P5604
P8148
P3682
P6762
P7807
P2088
P1776
Atom CG of residue 16
P4888
P8474
P9806
P3024
P3530
P7316
P4240
P5460
P5615
P5306
P5381
P8315
P5032
P4737
P2129
P5324
P3613
P6233
P7241
P3654
Atom C of residue 75
P8027
P3844
P4845
P6804
P7709
P7767
P5307
Atom H of residue 75
Atom CA of residue 80
P4263
P7408
P8119
P1941
Atom CB of residue 12
P0
P2485
P6486
P1556
P9162
P1
P3660
P3080
P4110
P2757
P11
P119
P7952
P5068
Atom CA of residue 32
P5679
Atom HA of residue 44
P5614
Atom CG of residue 69
Chain A
Atom HD21 of residue 50
P3644
P2464
P1439
P9737
P5642
P6629
P1903
P7961
P6390
P3720
P3913
P3815
P5068
P6240
P8341
P5826
P8026
P4425
P7250
P5799
P6791
P6297
P3721
P5679
P474
GLY
P2030
P7721
Atom NE of residue 74
Atom OG1 of residue 55
P7586
P6261
P4302
P6667
P2642
P7315
Atom CB of residue 15
Atom CG2 of residue 23
P4225
P8533
P4396
P7437
P10519
P11231
P2
P6156
P6419
Atom N of residue 51
P6603
P4301
P4494
Atom H of residue 57
P5605
P6316
P6592
P2923
P18
P3429
Atom HA of residue 43
P7502
P7409
P1742
Atom HE3 of residue 33
P0
P7808
P7533
P1777
P3153
Atom CB of residue 9
P9807
P1357
Atom CD1 of residue 4
P6039
P12560
P6603
P4124
Atom HD1 of residue 4
P5269
P4235
P5413
P6139
P3125
P6997
P7568
P4433
P4890
P3683
P5383
P6299
P6391
Atom HA2 of residue 75
P8317
P8475
P6262
P3025
P5772
P6234
P3531
P6763
P8120
P4241
Restraint 136
P5616
P5307
P6487
Atom HZ2 of residue 11
P9163
P4738
P6669
P202
P7095
P2089
Atom C of residue 80
P6893
P3655
P7953
P7317
P8028
P5680
Atom HB of residue 44
P3845
P6805
Atom HD22 of residue 50
P7768
P1557
Atom O of residue 59
P8149
P2255
P4264
P6630
Atom HA of residue 1
P6792
P8391
P7242
P6241
Atom C of residue 32
P3661
P3081
Atom HB3 of residue 2
P4111
Atom OG1 of residue 12
P2758
P7710
DihedralSingletonScore5
P5800
P6298
P5033
P5680
P5069
P1985
P6420
Atom CA of residue 53
Atom HB3 of residue 8
P3645
Atom CZ of residue 74
P1438
P1358
P7316
P8027
P4846
P6225
P5322
P1964
P3721
P3914
P3816
P5308
P7438
P13
P10520
P5461
P5827
P4426
GLU
P7962
Atom HA of residue 57
P2
P3722
Atom HB2 of residue 43
Atom HG13 of residue 44
Atom HZ1 of residue 33
P0
P7251
Atom O of residue 7
P4104
P4303
P2643
P1942
P6040
Atom O of residue 15
P12561
Atom CB of residue 29
P2130
P6604
P4226
Atom H of residue 1
P4397
P5069
Atom HD2 of residue 54
P3614
P6157
P3
P5615
P0
P6604
P7569
P4302
P4495
P4891
P6317
P2924
P3430
P5384
P7534
P6300
P1778
P0
P3154
P8318
P8476
P6263
P9808
P5773
P11232
P9738
P201
P5617
P1330
P2334
P7809
P5323
P4125
Atom HA of residue 67
P5270
P6668
P4236
P5643
P6670
P3126
P1904
P4434
P8392
P3684
P7318
Atom HG21 of residue 44
P8342
P1
P2486
CHARMMStereochemistryRestraint5
P6392
P1441
P8150
P2256
P6593
P3026
P3532
P7503
P8121
P4242
P7096
P2031
P2090
P8534
P6793
P7587
P5606
P1322
P7243
P4739
P1743
P4847
P5034
P120
P6235
P3656
P1356
P1986
P3846
GaussianProcessInterpolationRestraint 42
P6806
P7771
Atom HA of residue 39
P9164
P4265
P5681
P6140
P6631
P6226
P5309
P16
P7954
P3662
P5644
P5462
Atom C of residue 53
P3082
P4112
P6998
P5308
P2759
P7711
Covariance1DFunction 9
P5801
P6892
P6764
Atom HH21 of residue 74
ListSingletonContainer539
P6242
P6421
P3646
P1965
Atom CA of residue 55
P2465
Atom CD of residue 79
P5681
P8029
P8028
Atom HD2 of residue 6
P3722
P3915
P3817
P3615
P8343
P5828
P472
Atom CG of residue 15
Atom HG1 of residue 14
P4427
P6488
P2
Atom HB2 of residue 67
P3723
P7410
P2691
P7317
P2131
P2487
P4892
P7439
P4105
P4304
P11233
P2644
P9739
P6041
P6605
P5325
P4227
P1558
P4398
P5271
P5070
P121
P1943
P6158
P5616
P12562
Atom CG of residue 29
P1905
P2335
P7772
Atom HB2 of residue 39
P7570
P4303
P4496
P6318
P2925
P3431
P5385
P7535
P1
P3155
Restraint 57
GLY
P6299
P8319
P6594
P5774
P6669
P7504
P7963
P4126
P8535
P7588
P5607
P15
ClosePairContainer
P4237
P6671
Atom CD1 of residue 15
P3127
P7252
Atom CA of residue 51
P4435
Atom HA3 of residue 10
P8393
P3685
P10521
Atom CB of residue 32
Atom HZ1 of residue 29
P5618
P2032
P6605
P9165
P8151
P6264
P3027
P3533
P7319
P1744
Atom HG22 of residue 44
P4243
P7097
P6489
P0
P1779
P9809
Atom HD3 of residue 54
P7955
P4740
P4848
P6999
P5309
P2336
P6794
P5035
P2257
P6236
P7244
P3657
P1399
P5463
Atom HB3 of residue 52
P3847
P6807
P7810
Atom H of residue 74
Atom CA of residue 4
P2466
P4266
Atom CD2 of residue 43
P8030
P6141
P6301
P6393
P5066
P3663
P8122
P1987
P3083
P4113
P2760
P2317
Atom CA of residue 76
P1440
P6300
P8477
P10522
P6765
P7411
P7318
Atom HD23 of residue 50
P3647
P7440
P6042
GaussianProcessInterpolation74
P5326
P1559
P3723
P5802
P3916
P3818
P12
P3616
P6243
Atom CG of residue 32
P8344
P5617
P6632
P5829
P4428
P2337
P6227
P7712
Atom HG1 of residue 9
P3
P3724
P6894
P5682
P2692
P5645
Atom HG21 of residue 14
P2091
Covariance1DFunction 39
Atom HB3 of residue 67
P4893
P4106
P4305
P11234
P2645
P6423
Model 422
P4228
P4399
P6159
P1521
P8029
P7773
P4304
P5310
P4497
Atom CB of residue 57
GridCPF
P6319
P5682
P2926
P3432
P5619
P5386
P7536
P6606
P6302
Atom HB3 of residue 39
P3156
P8320
P6265
P6595
P6670
P149
P7505
P12563
P1906
Restraint 147
Atom C of residue 51
P7964
P4127
P1780
P9810
P4238
Atom HD2 of residue 4
P3128
P2132
P6606
P7253
P6228
P2488
P4436
P7589
P5608
P3686
Atom HA of residue 74
P7571
P2013
P8478
P3028
P3534
P4244
Atom HZ2 of residue 29
P6142
P6490
P6394
P9166
P5775
P4944
P4741
P9740
P1400
P8123
P7000
P2338
P2467
P10523
P3658
P7956
P6766
Atom H of residue 43
P1944
P1993
P6672
P3848
P6808
Atom N of residue 51
P7811
P8536
P8395
P5272
P4267
P7412
P8031
Atom CG of residue 24
Atom N of residue 53
P4849
P1966
P5803
P5311
Atom C of residue 76
Atom NZ of residue 11
P8152
P2258
Atom C of residue 24
ListSingletonContainer350
P123
P6244
P3664
P5646
P6633
P3084
P4114
P7098
P2761
Atom HG21 of residue 9
P6301
P6895
P7320
Atom CD of residue 29
P3648
P5036
P6237
P11235
Atom OD1 of residue 32
Atom HG23 of residue 44
P5464
P7319
P7713
P5327
P3724
P3917
P3819
P6795
P7441
P7245
P1522
P6043
P5830
P8030
P4429
P4894
P3725
P5683
P2693
P5310
P2033
P5387
P1560
P8321
P4107
P4306
P2646
P9741
P1745
P5618
P12564
Atom O of residue 51
P7965
P2092
P4229
P4400
P1367
P6160
P6607
P7254
P8537
Atom HG of residue 67
P4305
P4498
P4944
P6320
P5683
P2927
P3433
P8345
P6229
P7537
P6607
P2489
P6303
P7572
P3157
Atom OG of residue 57
P2468
P1445
P25
P3617
P26
Atom HD2 of residue 19
P1945
P5620
P2133
P4128
P1781
P3
GeneralizedGuinierPorodFunction 65
P5273
P9811
P5776
P5
P4239
Atom CD of residue 24
P3129
P1967
P2014
P4437
P3687
P6673
P6422
Atom H of residue 17
GLU
P7812
P7774
P8479
P3029
P3535
P7413
Atom CB of residue 65
P4245
P473
P4850
Atom CA of residue 3
Atom H of residue 11
P7590
P8153
P6596
P6671
P7506
P4742
P8124
P7099
P1909
P5311
P6896
P3659
P4945
P6143
P3849
Atom CE of residue 29
P6809
Atom N of residue 40
P5037
P9
P2259
P10524
P4268
Atom HD3 of residue 19
Atom HD11 of residue 44
P2034
Atom HG3 of residue 6
P5312
P5609
P6266
P6767
P3665
P1746
P6634
P3085
P4115
P2762
P6491
P1446
P7246
P7321
P5684
P7001
P3649
P7775
P5804
Atom HA3 of residue 75
P9167
P6238
Atom HZ3 of residue 29
P5465
P5619
P7714
P5328
P3725
P3918
P3820
P6796
P11236
P7957
P8032
P1992
P5831
P8031
P4430
P6395
Atom HD11 of residue 67
P8394
MovedSingletonContainer0
P3726
P5684
P1401
P2694
P8346
P6302
ListSingletonContainer42
P4108
Atom H of residue 5
P4307
P183
P2647
P9742
P1368
P4230
P4401
P6161
P6608
P1561
P8538
P4306
P4499
P6321
P2928
P3434
P6245
ModelScoringFunction19
P7320
P7538
Atom CG of residue 51
P7966
Atom NH1 of residue 74
P7573
P3158
P4945
P7442
Atom OD1 of residue 65
P6044
Atom CG1 of residue 17
P1
P7255
P2051
P4129
P5274
P7591
P6597
P6672
P4240
P7507
P5647
P205
P6424
P3130
P4438
P3688
P4946
Atom O of residue 32
P1946
P6674
P6144
P2
Atom OE1 of residue 24
P2093
GLN
P1
P2548
P3030
P5777
P3536
P4246
Atom HA of residue 17
Atom CA of residue 51
P1910
P2339
P6230
P6608
P6304
P6396
P4895
P8154
P6267
P7247
P6768
P4743
ModelScoringFunction23
P1523
P12565
P7100
P5312
P7813
P5388
P2490
P6492
P1782
P8322
P9812
P3618
P3660
P7322
Atom N of residue 20
Atom HG23 of residue 12
P3850
P5621
P7002
P6810
P5038
P4269
Atom N of residue 30
P5466
Atom NZ of residue 29
P5329
Atom CA of residue 12
P6797
P1447
P5610
P8481
P6239
ListSingletonContainer526
P3666
P8033
P3086
P4116
P2134
P2763
Atom N of residue 76
P1402
P8125
P2035
P3650
P7776
P2015
P2469
P6303
P9168
P1747
P4851
Atom HB2 of residue 8
P3726
P3919
P3821
P8396
P6897
ListSingletonContainer449
P7958
Atom HG12 of residue 61
P5685
P5620
P5832
P5
P4431
P2121
P5313
ListSingletonContainer168
P3727
P10525
Linear1DFunction 23
P6246
P1369
P2695
P203
P6635
P2340
Atom CD of residue 51
P7967
P4946
P4109
P4308
P2648
P4231
P1562
P5805
P4402
P5685
P6162
P6425
P7715
Atom NH2 of residue 74
P4307
P4500
P4896
P2260
P6322
P2929
P3435
P1994
P1524
P7321
Atom CG2 of residue 17
P8032
P5389
P7539
P2549
P3159
P7443
P8323
P11237
P7414
P6045
P6231
P6609
P6305
P4130
P6268
P6598
P6673
P4241
P7508
P9743
P3131
P12566
P7814
P2094
P4439
THR
P0
P9813
P3689
Atom N of residue 13
P6609
P1968
Chain A
P6493
P3031
P3537
P4247
P5648
P8347
P6145
P6397
P7574
P5611
ListSingletonContainer162
P4947
P4744
P1947
Atom OE2 of residue 24
P2135
P8539
P5276
P6898
ListSingletonContainer450
P3661
P6769
P8126
Atom HA of residue 2
P3851
P5622
P7003
P6811
P2491
P2016
P9169
P4270
P7415
P6675
Atom C of residue 57
P4852
P8397
P5778
P3619
P3
P7959
GeneralizedGuinierPorodFunction 3
P7323
Atom HG13 of residue 61
P3667
P8034
P5686
Atom H of residue 13
P3087
P4117
Atom C of residue 51
P2764
Atom HD21 of residue 67
P5314
P7592
P0
P8155
P6636
P7101
P5313
P3651
P6798
P6240
P3727
P5806
P3920
P3822
P5039
P5686
P1370
P5833
P4432
P2036
P7716
P1783
P4501
P3728
P10526
P1748
P2696
P8348
P5467
P7322
P6426
P8033
P7444
P8480
P4110
P4309
P2649
P6247
Atom ND2 of residue 65
P6046
P7968
P1969
P7778
P4232
Atom O of residue 40
P4403
P2470
P2261
P9744
P5649
P1995
P6163
P1907
P7256
P4308
Atom CA of residue 9
P4897
P4947
P6323
P2930
P3436
P124
P6610
P5390
P7540
Atom N of residue 38
P3160
P1448
P8324
P11238
P5621
P6610
P7575
P4131
Atom N of residue 34
P6304
P7248
P4242
P1525
Atom H of residue 24
P3132
P6232
P5330
Atom HG13 of residue 44
P8540
P4440
P9814
P3690
P5623
P7815
P6494
P3032
P3538
P7416
Linear1DFunction 5
P4248
P1948
P6676
Atom HG2 of residue 6
GLU
P6269
Atom OG1 of residue 14
P5779
Model 387
P7324
P4745
P1403
Linear1DFunction 31
P2136
Atom O of residue 51
Atom HD22 of residue 67
P7593
P8156
P6599
P6899
P6674
P3662
P7509
P8127
Atom HD3 of residue 29
Atom HG of residue 15
P3852
Atom O of residue 57
P7102
P6812
P5314
Atom CB of residue 40
P1563
P6799
P5612
P4271
P5468
P1
P4853
P1
Atom CA of residue 34
P8398
P5040
P3668
Atom CB of residue 2
P3088
P4118
P2765
P6306
Atom HG22 of residue 44
P6398
P2017
Linear1DFunction 12
P9170
P10527
P4948
Atom HA of residue 2
P5687
Atom HA of residue 13
P6146
P6637
P3652
P2095
Atom HA2 of residue 10
P6305
P6241
P7960
P1371
Atom N of residue 66
P7004
P2341
P2037
P5331
PRO
P3728
P5807
P3921
P3823
P2471
P5275
ListSingletonContainer308
P6770
P1749
P5834
P4433
P7717
P2492
P2550
P4502
P8482
P3729
P5687
P8035
P2697
P8349
P6427
P8034
Atom CA of residue 34
P4111
P4310
P11239
P2650
P12567
Atom CB of residue 51
P4233
P4404
Atom CG of residue 28
P3620
P7249
Atom CA of residue 55
P6164
P7323
P4309
P1449
P7445
P6324
P2931
P3437
P6248
P1404
P6047
P1468
P6611
P7257
P7541
P6495
P1332
P3161
P5315
P3
Atom HE2 of residue 29
P5622
P1908
Atom NZ of residue 11
P6307
P7576
P4132
P6270
P4243
P236
P3133
P4441
P6600
P3691
P6675
P7510
P2342
P7969
P7777
P4899
P4948
P5613
P2262
Atom CG1 of residue 3
P3033
P3539
Atom CE of residue 27
P4249
P1878
P6677
P1526
P475
Atom CB of residue 15
P6233
P5392
P1784
Atom C of residue 34
P8326
P5780
Atom HG21 of residue 61
P4746
P7417
P5624
P6611
P6399
P1564
P1542
P9171
P8157
P3663
P4949
P7325
P9745
P5650
P1996
P3853
P7103
P6813
Atom CB of residue 51
P7258
Model 155
P2096
P7594
P9815
P4272
P7961
Atom HD11 of residue 15
P2137
P4854
P7005
Atom CG of residue 40
P8541
P6800
P8399
P5041
P149
P3669
P3089
P4119
P12568
P2766
P7816
P2018
P2551
P5316
P8483
P3621
P8036
P1372
P6428
P6147
P3653
Atom HG23 of residue 44
P5277
P6306
P6901
Atom H of residue 27
P8128
P1469
P5332
P1970
P3729
P3922
P3824
P10528
P7250
P6771
Atom HG23 of residue 61
Atom CB of residue 42
P7324
P5835
P4434
Atom CA of residue 38
P4503
Atom C of residue 34
P7446
P3730
P0
P6249
P1949
P2698
P6048
Atom CB of residue 57
Atom OE1 of residue 34
P2493
P1792
Atom N of residue 7
P4112
Atom CD1 of residue 28
P4311
P2651
Atom C of residue 55
P5623
P6638
P5315
P4234
P4405
P6242
ListSingletonContainer408
P5688
P6165
Atom HA of residue 24
P5808
P4310
P6325
P2932
P3438
P11240
P3
P7718
P7542
P8542
P3162
P2472
P4949
P9748
P8350
P8035
P6234
P6308
P4133
P5688
P4244
P1405
P5469
P3134
P5625
P6612
Atom HD12 of residue 67
P5317
P4442
P2263
Model 253
Atom CB of residue 25
P6601
P3692
P6676
P125
P7511
P1879
P1997
P1527
Atom CG of residue 15
P2038
P7970
P9816
P3034
P3540
P1750
P4250
P5651
P478
P6612
P4855
P2363
P8400
P1354
P5614
P4747
P12569
P1971
P7577
P3664
P4950
P6148
P3854
P2138
P6814
P5316
P5278
P9172
P4273
P8129
P7006
Atom CA of residue 40
P10529
P7962
P6772
P3670
P6678
P4
P3090
P4120
Model 331
P2767
P7817
P2097
P6496
P2552
P4898
P7595
P8484
P6271
P5781
Atom HA of residue 27
P8037
Atom CG of residue 65
Atom HB2 of residue 24
Atom OG of residue 57
Atom OE2 of residue 34
P5391
P3654
P2019
THR
JeffreysRestraint_P0
P8325
P8158
Atom HD11 of residue 61
P7418
Atom O of residue 55
P6639
P7104
P1565
P3730
P3923
P3825
P5411
P1355
P7326
P1950
P5836
P4435
P5809
P4504
P5042
P3731
P11241
P1373
P2699
MD 18
P7325
Atom CG of residue 51
P7259
P7719
Atom C of residue 63
P6400
P1786
P6801
P7447
P4113
P4312
P2652
P8351
P5470
P6049
Atom CD1 of residue 15
P8036
P4235
P4406
P6307
P6243
P5689
P6166
P5333
Atom HZ1 of residue 33
P4311
P6326
P6900
P2933
P3439
P1
Atom HE3 of residue 29
P2337
P5624
P5317
P2039
P7543
P7971
Atom HD11 of residue 44
P8543
P3163
P4950
P3622
P7251
P9749
P6613
Atom HB3 of residue 6
P4134
Atom HD13 of residue 67
P5689
Atom ND2 of residue 25
P4245
P3135
P6613
Atom C of residue 38
Restraint 34
P7578
P4443
Atom N of residue 9
ListSingletonContainer39
P3693
P5626
P2494
P6497
P9817
P3035
P3541
P6250
P1406
Atom C of residue 1
P4251
P6429
P1356
P4748
P1751
P1998
P6679
P7818
P5412
P6309
P6401
P2473
P6272
P5782
P3665
P5652
P3855
P6815
P2343
Atom C of residue 40
Model 195
Atom N of residue 34
P5279
P8159
P6602
P4274
P6677
P7512
P8130
ScoreState 42
P7105
Atom CD of residue 51
P7260
Atom O of residue 63
P4900
P7596
P3671
P3091
P4121
Atom H of residue 57
P5411
P6235
P2768
P5393
P2098
P5318
P8327
P5043
P8485
P10530
P4
Atom HG2 of residue 19
P3655
P1972
P1567
P1787
P5615
P4951
P6773
P7419
P5471
P6640
Atom HB3 of residue 24
P1312
P3731
P3924
P3826
P6308
P7327
P1375
P5690
P1528
P5837
P1470
P12570
P4436
P7007
P5810
P4505
P9173
P3732
P2264
P6244
P8209
Atom CB of residue 55
Atom HZ1 of residue 29
P2700
P5625
P6430
P7720
Atom CB of residue 38
Atom HD12 of residue 44
P6802
P8401
P4114
P4313
P7252
P11242
P7963
P2653
P8038
P8037
P4236
P2553
P4407
P1357
P5690
P6902
P6167
P241
P2139
P4856
P2344
P4312
P5319
P6327
P2934
P3440
Atom HG3 of residue 19
P7544
P2020
P3164
P6251
Atom HD12 of residue 61
MD 13
P1880
P5653
P0
P6614
P7261
P5334
P4135
P4246
P7326
P3136
Atom HA of residue 8
P6310
P7579
P4444
P7448
P6273
P3694
P1407
Atom OG1 of residue 55
P1951
P6050
P476
P6498
P6603
P3036
P3623
P3542
P6678
Atom CB of residue 27
P7513
P4252
P7972
P4901
P4951
P4749
P9751
P8352
P1999
P6680
P6236
P5394
P2495
P6402
P8328
P8486
P5783
P3666
Atom OE2 of residue 35
P1471
P3856
P6816
Atom CG of residue 34
P5318
P6614
P1788
P8544
P5280
P8160
P4275
P4952
P6774
P8210
P1325
P7420
P7106
P7819
P1318
Atom HZ3 of residue 6
P8402
P9818
P3
P19
ListSingletonContainer527
P7328
P3672
P3092
P4122
P5627
P7008
Atom OE1 of residue 51
P2769
Atom CE of residue 11
P5320
P5044
P2265
P1374
P4858
P2040
P3656
P2099
P1566
P6803
P5616
P7253
P1752
P8039
P1529
P12571
Atom HB3 of residue 57
P5098
P1380
P3732
P3925
P3827
P2474
P6903
P8131
P1881
P5472
P5838
P4437
P1973
P4506
P9174
P3733
P2701
P6431
Atom HG2 of residue 24
P5319
P1358
P4115
P4314
P142
P7964
P2654
P5691
P8353
P5626
P2140
P2345
P4237
P2554
P4408
P19
Atom CA of residue 25
P10531
P6245
P6168
P6641
Atom HD2 of residue 19
P2021
P4313
Atom HA of residue 51
P6328
Atom SG of residue 6
P2935
P3441
P1952
P7545
Atom CB of residue 63
P5811
P3165
P5691
P3624
Atom N of residue 36
Atom HB of residue 9
Atom N of residue 20
P4136
P4952
P6252
P4247
P7327
P8038
P3137
P2041
P2496
P5321
P4445
P6309
P7449
P3695
P11243
P6051
Atom CD of residue 34
P6615
Atom CG of residue 38
P1789
P8545
P5281
P1359
P6604
P3037
P3543
P6679
P7514
Atom CG2 of residue 55
P4253
P7820
P1381
Atom CA of residue 71
P4902
P7597
P9819
ListSingletonContainer295
P4750
P1379
P1541
P6615
P5395
P7722
P2475
P8329
ListSingletonContainer41
P6274
P3667
P2000
P3857
P6817
P5320
P6237
P7973
P7580
P5617
P4276
P4953
P8211
Atom HD13 of residue 61
P1753
P12572
Atom HG of residue 57
P5099
P6500
P8403
P6775
P3673
P8132
P2051
P5654
P3093
P4123
P5628
P7009
P2770
P9175
P7421
P6681
Atom HG3 of residue 24
P4859
P3657
P5337
P6311
P6403
Atom HD3 of residue 38
Atom HB2 of residue 51
P5784
P7965
P7329
P9750
P8040
P5692
P3733
P3926
P3828
P6310
P5045
P8161
P2266
P6904
P1408
P6642
P5839
P4438
P7107
P7262
Model 389
Atom HG21 of residue 44
P4507
P6804
P3734
P2702
P237
Atom CG of residue 63
P5812
Model 213
Model 39
Atom HG2 of residue 11
P1360
P4116
P5692
Atom C of residue 25
P4315
P2655
P8354
P1974
Atom CD of residue 38
P4238
P1382
SER
P2555
P4409
P8487
P10532
P6246
P5655
P6169
P7328
P8039
Atom OE2 of residue 51
P1568
P4314
P7450
P6329
P2936
P7254
P3442
Atom CB of residue 26
P6052
P5321
P7546
P2100
P3166
P5473
P4137
P7598
P4953
P4248
SER
P1530
P3138
P6616
P6312
P4446
P6275
P3696
P11244
P143
P5627
P6432
P6616
P7974
P7581
P1790
Atom C of residue 71
P2476
P1361
P3038
P3544
P126
P6253
P4254
P1315
Model 18
P4903
P9820
P4751
P5629
P2141
P7821
P5396
P8330
P3625
P3668
P7422
P1380
P6682
P3858
P12574
P6818
P2346
P2042
Atom HA of residue 6
P5338
P6404
P2022
Atom N of residue 39
P86
P5785
P4277
P7330
P1472
P5830
P5046
Atom HZ2 of residue 6
P8162
P6605
P6680
P7515
P1409
P3674
P8133
P3094
P4124
P1
P7108
P6238
P2771
P8546
P6805
P5618
P8488
Restraint 181
P4
P9746
P5656
P3658
P1
Atom HG3 of residue 11
P1362
P123
Atom H of residue 55
P1882
GeneralizedGuinierPorodFunction 31
P3734
P3927
P3829
Atom HB3 of residue 51
P6311
P9176
Atom HD11 of residue 15
P6905
P10533
P4954
P8213
P5693
P1953
P6643
P5840
P477
P4439
Atom H of residue 51
P7263
P1542
P4508
P8405
P5282
P3735
P7255
P7966
Atom CG1 of residue 26
P2703
P2001
P238
P7010
P5100
P6499
P5813
P94
P4117
P2267
P5693
P4316
P2656
P6776
Atom CB of residue 6
P4861
P2497
P4239
P1569
P4410
Atom HG22 of residue 61
P8041
P6170
P1531
P8040
Atom HA of residue 38
P2101
P4315
P6330
P2937
P3443
P11245
P6433
P7547
P3167
Atom O of residue 71
P6
P6254
Model 406
P5474
P7329
P4138
P8547
P4904
P7451
P4249
P8355
P6053
P1473
P3139
P2142
P6617
P5397
P6313
P2
P4447
Atom HZ2 of residue 6
P8331
P3697
P6247
P1754
P5628
P7723
Atom HB2 of residue 6
P7975
P1352
P7582
P2023
P3039
P3545
P0
P4255
P7264
P1975
P2498
P5831
PairsRestraint 2
P6606
P6681
P7516
P4752
P1883
P5830
P2347
P6239
P7599
P4954
P1363
P5619
P3669
P1954
P6683
P7
Atom N of residue 25
P3859
P6819
Atom HA of residue 30
P2043
Atom CA of residue 20
P5283
P5786
P4278
P7423
Atom HA of residue 55
P5630
P6617
P5101
P2556
P1791
P9177
P8163
P6906
P4955
P7331
P3675
P3095
P4125
Atom HA of residue 57
P7109
P2772
P8489
P9821
P7967
P9747
P7011
P3659
Atom O of residue 20
P6806
P5047
P6276
Atom HD12 of residue 15
P7822
P3735
P3928
P3830
P3626
P1755
P8042
P2002
P5841
P12573
P4440
P6501
P4509
P2477
P7600
P1364
P14
P3736
P2268
P8134
P2704
Atom HA of residue 51
P1353
Atom HG2 of residue 51
P4118
P4317
P10534
P7256
P2657
P6777
P5475
P7330
P2
P5335
P4240
P6405
P1793
P4411
P7452
P1445
P8356
P6171
P6054
P4316
P6312
P6331
P2938
P3444
P5629
P6644
P7724
P7548
P7976
Atom CB of residue 20
P3168
P8212
P5694
P1532
ASN
P5814
P4139
P8548
P5832
P8404
P5694
P11246
P4250
P1410
P3140
P5831
P1577
P4448
Atom CB of residue 71
P4955
P1365
P3698
P6248
P5657
Atom HE3 of residue 11
P8041
P4860
Atom HB of residue 30
P7265
P1976
Atom O of residue 38
P3040
P124
P5266
P3546
P4256
P5631
P6618
Atom H of residue 8
phys
P6607
ListSingletonContainer409
P6682
P7517
P4753
Atom C of residue 26
P6434
P2044
Atom C of residue 20
P2024
Atom HG3 of residue 38
P9822
P3670
P3860
P6618
P6820
P2102
P6314
P6406
P5284
P5620
P8492
P6277
P4279
P127
P5102
P7583
P2557
Atom HD23 of residue 8
Atom HG3 of residue 51
P3627
P4956
P6255
P1411
P3676
P1955
P3096
P4126
P2773
P1350
P6502
P1366
P9178
P8696
P1446
P8135
Atom HB2 of residue 57
P7012
P3660
P2499
P4905
P7601
P10535
ListSingletonContainer296
P7968
P6778
P6684
P207
P12575
P2348
P7823
P5398
P7725
P3736
P3929
P3831
P8332
P5787
P8043
P5842
P4441
Atom O of residue 20
P3
P4510
P6313
P3737
P8164
P7424
P2705
P6645
P7110
P6240
P4119
P4318
P2658
P7332
P1756
P2143
P3
P5336
P4241
P5815
P4412
P5048
P15
P5695
P7263
P11247
P6172
P7331
P1474
P5832
P1351
P4317
Atom CG of residue 71
P6807
P7453
P6332
P2939
P3445
P8214
Atom HG1 of residue 12
P5476
P6435
P6055
P8042
P7266
P7549
P3169
P2478
P8406
P8493
P6907
P5267
P6249
P5695
Atom HB2 of residue 31
Atom H of residue 6
P7977
Atom OG of residue 20
P1578
P4140
P4251
P5630
Atom CA of residue 25
P3141
P4857
P1320
P0
P4449
P4956
Atom HG of residue 8
P2269
P3699
P2003
P1533
P6619
Atom HB2 of residue 51
P2103
P6315
P6278
P3041
P3547
P4257
P6619
P7584
P4906
P4754
P5632
P5399
Atom C of residue 73
P8333
P9823
P3671
P8697
Atom O of residue 26
P1884
P8357
P3861
P6821
P6407
Atom HD2 of residue 38
P5833
P4280
P6256
P6685
ILE
P7824
P5069
P2025
P2558
P8549
P5788
Covariance1DFunction 49
P3677
P1447
P5658
P3097
P4127
P2144
P2774
P2500
ListSingletonContainer40
P8165
P6608
P6683
P7518
P8136
P1475
P7111
P2349
P6241
P3661
P7257
Covariance1DFunction 59
P1956
P1
P12576
P7726
Atom OG1 of residue 22
P3737
P3930
P3832
P5286
P5049
P6908
P10536
P5843
Atom HB3 of residue 31
P4442
Atom CD1 of residue 30
P5104
P4511
P5621
P8490
P3738
P3628
P4957
P6779
P8215
P7425
P2706
P5477
P6436
P6646
P8407
Covariance1DFunction 4
P4120
P4319
P2659
P7333
P5696
P7013
P2045
P4242
P5816
P4413
P7602
P1367
P9179
P5696
Atom HG3 of residue 38
P8358
P6173
P5631
P4318
Atom HZ1 of residue 6
P6808
P6333
P2940
P3446
P11248
P7969
P1757
P8044
GaussianProcessInterpolationRestraint 19
P2004
P8043
Atom HB3 of residue 51
P7550
Atom CB of residue 20
Atom CE of residue 48
P3170
P5268
P1885
P7267
Atom CB of residue 22
P4141
P5834
P4252
Atom HA of residue 33
P3142
P5070
Atom HD23 of residue 50
P6503
P4450
P8491
P3700
P6250
P6620
P8244
Atom HA of residue 69
Atom HD22 of residue 71
P6314
ListSingletonContainer159
P2270
P3042
P3548
P4258
P1534
P7332
P5833
P0
P7585
P8550
P4907
P7454
P4755
P6056
P5400
P2104
P8334
Model 404
P6609
P6684
P3672
P7519
P3862
P6822
P7978
Atom CG2 of residue 3
P1579
P2026
P1794
Atom H of residue 48
P2479
P4957
Atom N of residue 52
P6279
P7258
P4281
P1444
P6686
P7727
P2559
P5789
P3678
Atom HB2 of residue 33
Atom C of residue 25
P3098
P1476
P4128
P12577
P2775
P6620
P8166
P4958
P6780
P7426
Atom CB of residue 4
P1957
P7112
P3662
P1334
P9824
P7334
P1412
P5659
P5633
P2145
P7014
P6242
P6316
P6504
P6408
Atom OG of residue 20
P3738
P3931
P3833
P7603
P5050
P6909
Atom HD2 of residue 38
P5844
P479
P4443
P7825
P4512
Atom CD1 of residue 71
P6809
P5622
P6315
P3739
P8216
ListSingletonContainer528
P8045
P2707
Atom HG2 of residue 31
Atom H of residue 30
P2046
Atom N of residue 51
P8408
P1368
P4121
P4320
P2660
P8137
P5478
P4243
Atom HB2 of residue 69
Atom N of residue 56
P4414
P9180
P8359
P6174
P5834
P2350
Model 359
P5071
P4319
Model 84
ASP
P6334
P2941
P3447
P144
P7970
P5697
P5632
P6437
P8245
P7551
Atom HG12 of residue 5
Atom O of residue 1
P3171
P5285
P10537
P5269
P6258
P8698
MD 16
P6647
Atom HG2 of residue 51
Atom HA2 of residue 10
P5103
P2501
P4142
P1795
P5835
P4253
P2
P2005
P3143
P5817
P4451
Atom C of residue 12
P71
P5697
P3701
P3629
P6251
P6317
P2480
P2
P4958
P6280
P3043
P7259
P3549
P4259
P7333
P8044
P7455
P11249
Atom O of residue 69
P4756
P6057
Atom O of residue 25
P6621
P1580
Atom HA of residue 48
P6610
P146
P6685
P3673
P7520
Atom HG21 of residue 12
P3863
P6823
P7268
P7979
Atom CD2 of residue 71
P9825
GaussianProcessInterpolation33
P4282
P1413
P5660
P6621
P2105
P6409
P2560
P1370
P3679
P1393
P3099
P4129
P2776
LEU
P7586
P4909
P5623
P2271
GaussianProcessInterpolation43
P4959
P8699
P1991
Atom HB3 of residue 33
P5402
P7728
P3663
Atom H of residue 1
Atom H of residue 20
P8551
Atom HD23 of residue 71
P8336
P6781
P8138
P1535
P12578
P5634
P7015
P6505
P3739
P3932
P3834
P9181
Atom CG of residue 69
P7427
P6687
P5845
P482
P4444
Atom NZ of residue 6
P4513
P7604
P6316
P3740
Atom H of residue 10
P5790
P7971
P8217
P7335
P8046
P5698
P2708
P6438
P2146
Atom O of residue 68
P6243
P8409
P4122
P8167
P4321
P5270
P2661
P6648
P1477
P7113
P7826
P4244
P1796
P4415
P6810
P6175
Atom HG3 of residue 31
P5835
P5072
P2502
Atom HB3 of residue 69
P2027
P5818
P4320
P2481
P5287
P5051
P6335
P5698
P6911
P2942
P3448
P8246
P2351
P7552
P5105
P3172
Atom CA of residue 52
P7334
P8045
P4143
P3630
P145
P4254
P1958
P1886
P6058
P3144
P6622
P0
P4452
MonteCarlo1
P3702
P10538
P8360
P5479
P6622
P7980
P4959
P3044
P3550
P1758
P4260
P2006
P7456
P9826
Atom HE3 of residue 1
P11250
P4757
P5633
P6318
P7587
P8552
P5837
P2272
P3674
P6257
Atom HB3 of residue 38
P1414
P3864
P6824
P7269
P2047
GLU
P2106
P1371
P6252
P4283
P1394
P5661
Atom HG22 of residue 12
P5635
Atom HG3 of residue 51
Atom CB of residue 68
P2561
Atom H of residue 71
Atom CD1 of residue 69
P128
P7428
P3680
P1376
P6688
P3100
P1479
P4130
P2777
Atom HA2 of residue 10
P5791
P8218
P7336
P8700
P1536
P6244
P3664
Atom CA of residue 56
P1797
P8410
P8168
P6611
P6686
P7521
P8139
P12579
P7114
P7827
P3740
P3933
P3835
P6811
P5624
P6281
P7260
Atom HG2 of residue 33
P5846
Atom CB of residue 25
P2147
Atom HE21 of residue 31
P4445
Atom CB of residue 48
P4514
Atom HE3 of residue 6
P5288
P5052
P3741
P3631
P5699
P2709
P1887
P6439
P5106
P6506
P1581
P9182
P4123
P4322
P10539
P125
P4960
P2662
P6649
P4245
P2028
P4416
P4908
P7605
P1959
P6176
P7016
P5401
P6410
P5819
Atom N of residue 72
P4321
P8335
P6336
P5699
P2943
P3449
P6782
P8361
P8247
P7729
P7553
P8553
P3173
P6317
P7972
P8047
P8046
P2048
P2503
Atom HG of residue 69
P4144
P11251
P4255
P208
P3145
P6623
P4453
P3703
P1759
P2007
P5480
P7335
P5837
P7270
P5073
Atom CA of residue 51
P6282
P3045
P3551
P4261
P5662
P6059
Atom N of residue 52
P6910
Atom CA of residue 38
P4758
Atom CA of residue 2
P5634
P7981
P7588
P5271
P3675
P3865
P6825
P6612
P6253
P4284
P6687
Atom HG2 of residue 38
P7522
P2352
P6623
P6411
Atom HB of residue 36
P4960
P5625
P7457
P2273
P7261
P3681
Atom HG3 of residue 33
P6689
Atom CG of residue 25
P3101
P4131
Atom CG of residue 68
P2778
P7730
Atom H of residue 12
P9827
P5792
P6259
P7429
P3665
P6507
P9183
P8169
P4961
P7337
P209
P480
P7115
P7828
P5107
P3741
P3934
P3836
P5836
P7606
P6318
P2050
Model 112
P5847
P5636
P4446
P7017
Atom CD2 of residue 8
P6320
P1582
P2562
P1802
ARG
P4515
P6812
P5289
P5053
P3742
P8140
P2710
P6440
P8248
Atom HH of residue 59
P4910
Atom N of residue 3
P4124
P4323
P2663
P8701
P8048
P5403
P4246
P4417
Atom HG13 of residue 36
P2482
P8337
P1984
P1395
P6177
P12580
P2107
Atom HA of residue 12
P4322
P6337
P2944
Atom C of residue 38
P3450
P5481
P7336
P1480
P7554
P5074
Atom C of residue 56
P3174
P5272
P5700
P6060
Atom OE1 of residue 31
P6245
P4145
Atom H of residue 10
P5262
P6783
P8219
P4256
Atom NZ of residue 48
P5635
P6650
P3146
P2148
P7982
Atom HD11 of residue 69
P4454
P8411
P3704
P7973
Atom C of residue 69
P2029
P5820
P6283
P5700
P6912
P3046
P3552
P11252
ListSingletonContainer410
Atom C of residue 36
P4262
P2353
P8554
P4961
P1369
P7458
P8339
P10540
P6254
P7262
P4759
P5663
P8047
ASP
P7271
P47
P3676
P6260
P3866
P6826
P6624
Model 40
P6613
P3632
P4285
P6688
P7523
P8362
P210
P7829
Atom HG21 of residue 23
P2504
P6412
P1798
P9828
Atom O of residue 38
Atom HG23 of residue 70
P3682
P1960
P3102
P4132
P6624
P5836
P2779
Atom CE of residue 6
P5626
P8141
P6441
P3666
Atom C of residue 51
Atom N of residue 60
P7589
P5838
P4911
P2483
P2274
P126
P4962
P8220
P8702
Atom ND1 of residue 68
P5404
P5108
P3742
P3935
P3837
P6319
P9184
ListSingletonContainer529
P1985
P1396
Model 103
P2008
P5848
P4447
P7018
P2563
P4516
P5290
P3743
P2711
P6690
P1481
Atom HG21 of residue 36
P8412
ListSingletonContainer236
P4125
P4324
P5793
P2664
P8049
P5701
P1888
Atom NE2 of residue 31
P5637
P6246
P2109
P4247
P4418
P8170
P6784
P7430
P6178
Atom HG of residue 15
P6651
P12581
P7116
P6319
Atom CB of residue 56
P4323
P6338
P2945
P3451
P7974
P7338
P8363
P7731
P7555
P5075
Atom HB of residue 12
P5821
P3175
P8340
P5054
P5263
P5701
P6913
P5273
P11253
Atom CB of residue 36
P1761
Atom HB2 of residue 48
P7337
Model 177
P4146
P8555
P6813
GaussianProcessInterpolationRestraint 11
P4257
P5482
P6061
P8048
P3147
P7272
P2030
Atom CA of residue 72
P4455
Atom HE2 of residue 6
P7607
P3705
P10541
P6261
P1961
Atom OD1 of residue 25
P2149
P7983
P6508
P3047
P3553
P4263
P2354
Atom HG22 of residue 23
Atom O of residue 51
P1799
P4962
P7459
Atom N of residue 71
P4760
P211
P6625
P8249
P1585
P3677
P5636
Covariance1DFunction 83
P3867
P6827
P2055
P6625
P2505
P7590
P5839
P6255
P4286
Atom CD2 of residue 68
P5838
P2484
P6284
P9829
P3683
P1889
P3103
P4133
P5638
P2780
P7830
Atom C of residue 7
P5291
P2275
P6690
P6262
P6691
P3667
P5109
P1
P4912
P5794
P5664
P2009
Atom O of residue 5
P5405
Atom HG23 of residue 23
P3743
P3936
P3838
P8171
P6614
P7524
P8142
P5849
P4448
P7117
Atom CA of residue 52
Atom HA of residue 9
P6509
P6413
P2580
P4517
Model 242
P3744
P3633
P8221
P2712
P12582
Multivariate Normal distribution 42
P7732
Atom HD12 of residue 69
P8413
P6320
P5055
P4126
P4325
P2665
P1986
P5702
P1397
P4248
P1586
P4419
Atom CB of residue 12
P5627
P4963
P6785
P7431
P5483
P6179
P6652
P1482
P6247
P4324
P7608
Atom N of residue 1
P6339
P2946
P3452
P6691
P7975
P7339
P1762
P8364
Atom HD11 of residue 15
Atom ND2 of residue 25
P7019
P7556
P5822
P3176
P9185
P5702
P6914
P8266
P4147
P8556
Atom C of residue 72
P6814
P7264
P11254
P4258
LEU
P8703
P8050
P6442
P8049
P3148
P6321
P4456
P3706
P3635
P481
P7273
P2110
Atom HG22 of residue 36
P39
P3048
P3554
P4264
Atom CG of residue 31
P5839
P2052
P5076
Atom C of residue 60
Atom HG13 of residue 23
P1800
P8341
P6285
P10542
P5275
P4761
P1962
P6626
Atom CG of residue 56
Multivariate Normal distribution 1
P6692
P3678
P6263
P7338
P3868
P6828
P7591
P5840
P4287
P6062
P2564
P5264
P6615
P7525
P3684
P5637
P3104
P4134
P2355
P2781
P7984
P6414
P4963
P7460
P6692
ARG
P3668
Atom HD13 of residue 69
P4913
P6321
P5795
P8704
P5665
P2150
Atom C of residue 52
P5406
P7733
P6626
P3744
P3937
P3839
P8172
P4964
P6786
P7432
Atom HB3 of residue 48
P5850
P4449
P7118
P6510
Atom CA of residue 12
P2031
P4518
P3745
P9830
P6693
P7976
P7340
P2713
P6443
P7020
P5056
P4127
P4326
P2666
Atom CG1 of residue 36
P7831
P4249
Atom O of residue 72
P4420
Atom HD22 of residue 8
P6815
P5628
P22
P6256
P8051
P6180
P12583
P6322
P4325
P6340
P2947
P10543
P3453
P1987
P8143
P1398
P2010
P5484
P1351
P5639
P7557
P2506
P3177
Atom HG23 of residue 36
P7609
P9186
P5265
P6915
P147
P8223
Atom C of residue 58
P1478
P6248
P5408
P5077
Atom O of residue 60
P4148
P8415
P5292
P8342
P2276
Atom CG of residue 6
P3634
P4259
P5703
P3149
P5110
P2111
Atom CD1 of residue 56
P1587
P4457
P2485
P3707
P7265
P6694
P5638
P6653
Atom CD of residue 31
Atom CG of residue 8
Atom H of residue 23
Atom CB of residue 51
P3049
P3555
Multivariate Normal distribution 11
prior
Atom HG2 of residue 48
P4265
P8365
Atom CE1 of residue 68
P5840
P5823
P2565
P17
P5703
P4762
P2151
P2356
Atom CD of residue 6
P4964
P7461
P3679
P7339
P8050
P3869
P6829
P5841
P4914
Atom HG11 of residue 5
P4288
P11255
P1963
P5666
P6063
Atom O of residue 52
P6627
P6616
Atom CA of residue 71
P7526
P3685
P3105
P4135
P7274
P2782
P7985
Atom C of residue 2
P2032
P9831
P6917
P6264
P1890
Atom O of residue 58
P1352
P6627
P3669
P5274
P8705
Atom CG2 of residue 36
Atom NE2 of residue 68
P5410
Atom HD21 of residue 69
P7592
P3745
P3938
P3840
P1801
P5629
P6257
P4965
Model 423
ModelScoringFunction22
P5851
P4450
P8199
P2507
P6323
P4519
P5293
P3746
P6286
P6341
P6787
P8144
P2714
P6444
Atom HB3 of residue 25
P7021
P5111
Atom HD3 of residue 6
P9187
P4128
P4327
P7977
P2667
P7433
P6693
P5640
Atom CD1 of residue 8
P6249
P7832
P4250
P1583
P4421
P5796
P1988
P1760
P8052
P5704
P1399
P8366
P2011
P6181
P12584
P7734
P4326
P8173
P2948
ListSingletonContainer297
P3454
P6654
P8251
P7119
P7558
Atom CG of residue 51
P6511
P6415
Atom CB of residue 72
P3178
P6816
P6322
P5266
P2277
P7341
Atom N of residue 1
P5078
P5824
P4149
P8343
P5057
P5704
P4260
P6064
P3150
P4458
P7610
P3708
P7340
GLY
P8051
P4
P5842
P7462
P3050
P3556
P148
P4266
P1891
P5841
P1376
P2566
P6287
P4763
Atom HG3 of residue 48
P5485
P1350
P7986
P4965
P3680
P8222
P6265
P1964
P3870
P6628
P6830
P8414
P10544
P4289
P11256
Atom C of residue 71
P2152
Atom H of residue 68
P6628
P7593
P1859
P2486
P3686
P3106
P4136
Atom CB of residue 52
P7275
P8200
P2783
P6416
P9832
P5276
P7266
P6695
P5667
Atom HD22 of residue 25
P1649
P3670
ASN
P7434
P6694
Atom CB of residue 58
P5639
P7833
Atom CD of residue 11
P1377
P3746
P2033
P3939
P3841
P5797
Atom CD of residue 37
P5852
P4451
P1584
P4520
P5294
P3747
P8174
P6342
P6617
P7527
P8145
P2715
P8252
P7120
P5112
P2508
P6512
P5
Atom CG of residue 72
P6817
P5630
P6323
P4129
P4328
P10545
P2668
P1473
Atom CA of residue 53
P2357
P4251
P4422
P5058
P8706
P5705
P8367
P6182
P7735
Atom CD of residue 51
P4327
P4915
P7611
P9188
Atom HG of residue 8
P2949
P6258
P3455
P4966
P6655
P5641
P5413
P7559
P3179
P6446
P7022
P5842
P6324
Atom O of residue 56
P5825
P4150
Atom HG12 of residue 36
P5705
P3636
P6788
P4261
P3151
P4459
Atom CE of residue 11
Restraint 69
P3709
P127
P7978
P7342
P8053
P2049
P8052
P12585
P1353
P8338
P3051
P3557
P11257
P4267
P2108
P2567
P5267
P6288
Restraint 587
P8224
P4764
P5486
P7276
P6250
P5079
P2
P8416
P6918
P5277
P7267
P3681
P5668
P1650
P3871
P6629
P6831
P1811
P4290
P1989
P6695
P7341
P7987
P7594
P7463
P2278
P3687
P2012
P5640
P3107
P4137
P2784
P6417
Atom CB of residue 71
P6618
P6259
P6696
P7528
Atom H of residue 48
P1400
Atom N of residue 26
P2153
P5414
P3671
P1378
P4916
P4966
P5631
P5642
Atom CA of residue 60
P3747
P3940
P3842
GLU
Atom H of residue 14
P5798
P7435
P8707
Atom O of residue 36
P5853
P4452
P7736
P6629
P6325
P5843
P4521
P9189
P3748
P8175
P6343
P4967
P2716
Atom C of residue 53
P1354
P7121
P2358
P7834
P2034
P2487
P6324
P4130
P9833
P4329
P2669
P6266
P6065
P7023
Atom HA of residue 68
P4252
P4423
P6818
P5059
P1474
P1965
P6183
Atom CG of residue 52
P2509
Atom CD1 of residue 71
P4328
P2950
P3456
P7343
Atom O of residue 71
P0
P8054
P8195
P7560
P0
P1379
P5296
P8146
P8368
Atom CG of residue 58
P5114
Atom OE1 of residue 51
P4151
P5268
P10546
P6789
P8225
P4262
P5487
P3152
P6251
P5080
P4460
P8417
P1
P3710
P7268
P7979
Restraint 174
P5706
P483
P12586
P1669
P3052
P3558
ListSingletonContainer411
P4268
P0
P6656
Atom CG of residue 6
P7988
P6513
P8307
P6697
P4765
P1892
P2013
P5411
P5826
P5706
P5278
P11258
P3682
P1990
P6445
Atom H of residue 25
P3872
P1355
P6832
P1438
P5844
P7612
P4967
P7464
P2279
Atom CA of residue 9
P4291
P1966
P5669
P8053
Model 136
P7277
Atom C of residue 51
Atom CB of residue 34
Atom HD2 of residue 6
P2546
P38
Atom CG of residue 3
P6919
P3688
P1401
Model 429
P3108
P4138
P2154
P0
P2785
P6630
Atom HB3 of residue 58
P6289
P6619
P7529
P7342
Atom O of residue 37
P8253
Atom OD1 of residue 52
P5843
P7835
P3672
P1803
P4917
P2488
P9834
P6267
Atom HA of residue 48
P5641
P6630
Atom HB2 of residue 68
P3748
P3941
P3843
P5632
P3637
P6260
P6698
Atom CD1 of residue 36
P5854
P4453
P2
P6326
P7595
P2035
Atom CD2 of residue 71
P4522
P3749
P6344
P4968
P4663
P2717
P6696
P6514
P6418
Atom HD11 of residue 56
P6325
P9190
P4131
P4330
P10547
P2670
Atom O of residue 27
P8147
P8369
P6066
P7024
P5412
Atom OE2 of residue 51
P1616
P4253
P4424
Atom CD of residue 34
P82
P6790
Atom CB of residue 71
P6184
P4329
P5799
P2951
P128
P3457
P7980
P7344
P8055
P5707
P1893
P8196
P7561
Atom CA of residue 31
P1670
P8176
P7436
P6657
P12587
P7122
P7737
Atom CG of residue 8
GLN
P4152
P8308
P8226
P4263
P1475
P212
Atom OD2 of residue 58
P1651
P3153
P2
P5643
P5081
P5827
P4461
P8418
P5060
P5707
P3711
P11259
P8708
P486
Atom O of residue 53
P6252
P6819
P7613
P3053
P3559
Atom CG of residue 27
Atom HA of residue 36
P4269
P5488
P8054
P8254
P5844
P2359
P7278
P83
P4766
P5642
P6447
P7989
Atom N of residue 59
P3
P5295
P6290
P3638
P5279
P3683
P7343
P3873
P6833
P5113
P7596
P1804
P5845
P4968
P7465
P4292
P6268
P4664
P2014
Atom HB2 of residue 25
P6631
Atom HD12 of residue 56
Atom CG2 of residue 12
Atom C of residue 10
P7269
P3689
P6697
P3109
P4139
P5644
P2786
P6631
P2568
P5269
ScoreState 1
Atom H of residue 53
P3673
P2510
P6419
P6326
P9835
Atom OD2 of residue 52
P7836
P3749
P3942
P3844
P6261
P1991
P8709
P5829
P1402
P5855
Atom CD2 of residue 8
P4454
P7738
P4523
P3750
P6345
P5800
P6699
P7345
P2718
P5670
P1652
P1617
P6515
P4132
P8177
P6620
P4331
P2671
P7530
P8148
P7123
P4099
Atom CD1 of residue 8
P4254
Atom CA of residue 31
P4425
P4919
P2489
P2280
P5829
P6698
P6185
P5407
Atom C of residue 31
P4330
Atom OE1 of residue 34
P5061
P2952
P3458
Atom CA of residue 15
P7562
P6328
P5633
P0
P4969
P6791
Atom CD of residue 27
P7437
P1476
P5489
P6658
P1310
P2155
P8255
P4153
P5270
Restraint 482
P7981
P8227
P4264
P6448
P3154
P7025
P5828
Atom O of residue 51
P4462
P8419
P9191
P3712
P5280
P12588
P6820
P3054
P3560
P11260
P8056
P4270
P8370
P8055
P5845
P2036
P5297
P7614
P6916
P7270
P4767
Atom HB of residue 36
P6067
P7279
P6253
P5115
Atom HD21 of residue 8
P5062
P3684
P7344
P3874
P6834
P5082
P7597
Atom CA of residue 71
P10548
P4293
P4665
P1967
P2017
P6632
P2511
MD 1
P3690
P3110
P4140
Atom HB3 of residue 8
P2787
P1805
P8309
Atom HD13 of residue 56
P2569
Atom CG of residue 71
Atom O of residue 3
P3674
P1671
P6621
P6269
P7531
P1992
Atom H of residue 3
P4100
P7990
Atom H of residue 51
P3750
P3943
P3845
Atom CB of residue 51
P5847
P4969
P7466
P2281
P3639
P8710
P6068
P5856
P4455
P3
P4524
P3751
P6346
P5801
P6700
P1403
P2719
P1894
P5671
Atom H of residue 58
P5643
P5645
P6632
P4133
P8178
P6291
Atom OG1 of residue 7
P4332
P4970
P2672
P6792
P7346
P7438
P7124
P4255
P4426
Atom HD1 of residue 4
P9836
P7982
P8228
P6699
P6186
P1653
P7026
P4331
P8420
P5063
P5862
P2953
P6262
P3459
P150
P2156
P7837
P7563
Atom O of residue 31
TYR
Model 41
P6821
P5634
P8057
P8371
Atom H of residue 52
Atom CB of residue 6
P6516
P6420
P1
P4154
P8310
P5298
P5271
P4265
Atom CD1 of residue 71
P5708
P8149
P5490
P6449
P484
P3155
P3
P2362
P6254
P5116
P1618
P4463
P3713
P5644
P7345
P12589
P5083
P2037
P4918
P3055
P3561
ScoreState 11
P4271
P2018
P6069
P2690
P6855
P1672
Atom HG3 of residue 6
P2490
P6327
P9192
ListSingletonContainer74
P5708
P4768
P6659
Atom HA of residue 51
P6327
Atom OE2 of residue 34
P6292
P7271
P3685
P1477
P1968
P3875
P6835
P7739
Atom HD12 of residue 30
P7615
P4294
P6270
P4666
P8256
P4970
P7467
P6622
P3691
Atom CG of residue 31
P3111
P8056
P4141
P5646
Atom HB3 of residue 28
P5847
P2788
P4
P1806
P2570
P10549
P11261
P1895
P5672
Atom HA of residue 58
P6633
P3675
P6421
ModelScoringFunction5
P5863
P7532
P2145
Atom HA2 of residue 53
P7280
P4101
P7991
Atom CA of residue 59
P3751
P3944
P3846
Atom HD21 of residue 56
P9837
P5281
Atom HG12 of residue 36
P6700
P5857
Atom HG21 of residue 17
P6633
P4456
P1309
Atom CG of residue 51
P4525
P3752
P6347
Atom N of residue 9
P5709
P2720
P2512
P7598
P5635
P6328
P4134
P2282
P4333
P6701
P4971
P2673
Atom CA of residue 27
Atom CE of residue 6
Atom HA of residue 52
Atom H of residue 9
P4256
P6517
P4427
P5802
P6793
P8150
P6187
P7027
P2365
Restraint 148
Atom HA of residue 17
P4332
P5709
P2954
P6263
P3460
P7983
P7439
P8711
P1
P7842
P7564
P5846
P3640
P8058
P8372
P1654
P2691
P1619
P6856
P4155
P8311
P5299
Atom HB of residue 26
P9193
P8179
P4266
P4
P6450
P6660
P3156
P7125
P5117
P4464
Atom H of residue 34
P6822
P4920
P3714
P149
P7347
Atom CD2 of residue 71
P5084
P2491
P7616
P5325
P3056
P10550
P3562
P1993
P1404
P4272
P7346
P8257
P6329
P4769
P1478
Atom HA3 of residue 53
P8057
Atom N of residue 29
P1
P5272
P6293
P5282
P3686
Atom HG22 of residue 30
P3876
Atom HG22 of residue 17
P6836
Atom HB2 of residue 51
P1673
P5864
P4295
P8229
P4667
P5491
P5645
P12590
P7838
P7747
P7992
Atom HD22 of residue 56
P8421
P2
P4971
P7468
P50
P6702
Atom HG13 of residue 36
P3692
P1896
P3112
P4142
P6634
P2789
P2038
P1807
P2571
THR
P11262
Atom CA of residue 73
P5710
P2146
Restraint 8
P2159
P6255
P6634
P3676
Atom C of residue 59
P6422
P7599
P2
P7281
P4102
P3752
P3945
P3847
P9838
P5803
P7272
P5673
P5858
P4457
P5413
Atom HB of residue 17
P4526
P3753
P6348
P5710
P6623
P4097
P7440
P8712
P2721
P2513
P6329
P4135
P2283
P4334
P3641
P6264
P2674
P6701
P213
P1655
P5846
P7740
P4257
P6857
P4428
Atom O of residue 10
P2492
P8180
P0
P6271
P7533
P8151
P6188
P6451
P7126
Atom HB2 of residue 52
P4333
P5848
P6823
P4921
P2955
P3461
P5263
P7565
Atom HG12 of residue 26
P1994
P1405
P8373
P6070
P2692
Atom CB of residue 8
P6330
P8461
P4156
P2
P5300
P5636
P9194
P4972
P8230
P4267
P6661
P3157
P5647
P7839
P2547
P1323
Atom CA of residue 51
P4465
P8422
P5273
P3715
P7348
P5646
Atom HG23 of residue 30
Atom N of residue 12
P7028
P3057
P3563
P11263
P6794
P4273
P7984
P4770
P5061
P8059
P2015
P8058
P0
P6518
P2039
P5283
P3687
Atom OD1 of residue 58
Atom N of residue 54
P3877
P6837
P5324
P5865
P4296
P4098
P4668
Atom HD2 of residue 45
P5492
P2142
P12591
P7282
P5085
P5118
P8312
ListSingletonContainer59
P6703
P3693
P5674
P3113
P4143
P6635
P6256
P2790
P7741
P1620
P1674
P2572
P214
P7347
P7993
P3677
P7600
P6294
Atom CB of residue 7
P1642
P8713
P6702
P485
P4103
Atom HG3 of residue 51
P3753
P3946
P3848
P7617
P6624
P10551
P7273
P6272
P7534
P5711
P1897
P5859
P2160
P4458
P8258
P2364
P5849
P4527
P4972
P7469
P3754
P6349
P2722
P5848
P1808
P1808
P4136
P4335
P5804
P2803
P7441
P8374
P6071
P6635
P4258
P6519
P6423
P8462
P4429
P5301
P9195
P8181
P2284
P5711
P4973
P3
P1479
P6189
P5264
P7127
P7840
P4334
P4922
P9839
P2956
P6265
P3462
P7349
THR
P7029
P7566
Atom O of residue 59
P6824
P40
Atom HG2 of residue 2
P2693
P6331
P6858
P4157
Atom CG of residue 34
Atom HG2 of residue 6
P6330
P8231
P4268
P8060
Atom CB of residue 27
P2143
P3158
P7742
P2514
P4466
P8423
P3716
P3642
P1995
P8152
P1406
P1621
P0
P5637
P3058
P3564
P6795
P2
P4274
Atom HE1 of residue 45
P5493
P5648
P8259
Atom HB1 of residue 28
P5086
P5119
P8313
Atom N of residue 57
P6704
P7985
P1643
P4771
P5062
Atom H of residue 36
P5
P12592
Atom HB3 of residue 52
P3688
P6662
P3878
P6838
Atom C of residue 6
P7994
Atom HG11 of residue 17
ListSingletonContainer161
P6295
P4297
P4099
P4669
P2016
P6452
P2058
Atom OD1 of residue 32
Atom N of residue 52
P2040
P1675
P7618
P3
P7274
P6273
P4
P3694
P3114
P1656
P4144
Atom CD of residue 6
P2791
P4973
Atom CG2 of residue 26
P7470
P2573
P10552
P5675
P7348
P8059
P5849
P7283
P3678
P1809
P5326
P5274
P5285
P2804
P8714
P1898
P6636
P6424
P3754
P3947
P3849
Atom CA of residue 10
P6625
P5866
P7535
P1480
P6703
Atom HD22 of residue 60
P6072
P5860
P4459
P2360
P5850
P4528
P3755
P9840
P6350
P1408
P2723
P5647
P6636
Atom CB of residue 59
SER
P4137
P4336
P4259
P6520
P7601
P6859
P1809
P4430
P2493
P5638
P6331
P4974
P1338
P6190
Atom CG of residue 27
P5649
P4335
P4923
P9196
P2957
P6266
P3463
P11264
P5712
P8153
Atom CE2 of residue 45
Atom OD2 of residue 66
P2157
P7030
P7841
P7567
P3565
P6796
P2694
P6332
P4158
P3
P5805
P7986
P7350
P4269
P1644
P5063
P8061
P5265
P3159
P6258
P4467
P5275
P8182
P5712
P3717
P7442
P6663
Atom SD of residue 1
P7128
Atom O of residue 6
Atom HG12 of residue 17
P4275
P6453
P8260
P5087
Atom CD1 of residue 8
P2285
P3572
P4772
P1996
P1657
Atom HB2 of residue 28
P2515
P1622
P8463
P6825
P3689
Atom CZ of residue 45
P5494
P7349
P8060
P3879
P6839
Atom N of residue 53
P7284
P8425
P5302
P5327
P4298
P6705
P4670
P1409
P12593
P0
P7995
P2041
P5867
P3643
P8200
Atom H of residue 71
P3695
P8375
Atom N of residue 61
P6073
P3115
P4145
P2792
Atom H of residue 32
P7619
P4974
P7471
P2574
P8715
Atom OG of residue 57
P6637
P5850
P2059
P3679
P1810
P8314
Atom HE3 of residue 1
P7275
P2805
P6637
P7602
P3755
P3948
P3850
P2494
P4595
P10553
P6274
P5861
P0
P4460
Atom C of residue 11
P5120
P5851
P4529
P4924
P3756
P9841
P6351
P5713
P2724
Atom H of residue 45
Atom N of residue 67
P7743
Atom HD13 of residue 8
P4138
P4337
P1481
P1312
Atom CB of residue 8
P2361
P6333
P4260
P8464
Atom CA of residue 57
P4431
P6296
P5806
P5676
P6191
P215
P5648
Atom CB of residue 15
P5266
P4336
P8183
P0
P5713
P6626
P2958
P5284
P3464
P11265
P7536
P8154
P1899
P2158
P7129
P7568
P1676
P3566
P8376
P6704
P2695
P4159
P5303
P4270
Atom CE1 of residue 23
P3160
P6521
P6425
P8315
P4468
P5276
P3718
P4975
P6797
P7443
Atom HA of residue 45
P5495
P6664
P5328
P2286
P6267
P6706
P7987
P1997
P4276
Atom H of residue 57
P6454
P7031
Atom OE1 of residue 18
P8502
P9197
P8201
P4773
Atom HA of residue 71
P6860
P1810
P6826
P5639
P6332
P10554
P3690
P5064
P8062
P8061
P3880
P5650
P6840
Atom CZ of residue 54
Atom HB3 of residue 51
P6297
Atom O of residue 7
P7276
P4299
P4671
P12594
P7285
P6257
P1623
P5868
P6275
P3696
P1410
P7350
P3116
P4146
P2793
Atom O of residue 11
P5088
P5121
P6426
P2042
P5852
P2575
Atom CD of residue 2
GeneralizedGuinierPorodFunction 24
Atom C of residue 27
P5649
GLY
P6638
P5851
P3680
P2516
Atom HD23 of residue 8
P2806
Model 392
Atom HD11 of residue 30
P8261
P7744
P7603
P3756
P3949
P3851
P7620
P3644
UnaryFunction28
P5862
P5267
P4461
P8424
Atom HD13 of residue 3
P3757
P6352
P6627
P1645
P7537
P5065
P5714
P2725
GLY
P7996
Atom HD12 of residue 67
P4530
P4975
P7472
P8503
P4139
P4338
P4261
P8465
P6861
P1817
P4432
Atom HB3 of residue 6
P6333
P5807
P5286
P1900
P5677
P6192
P1658
P1831
P2060
P6638
P6522
P1677
P4337
P8184
P5714
P2959
P3465
P4976
P6798
P7351
P7444
P8716
P1482
P2137
P7130
P7569
Atom HG13 of residue 17
P1811
P2495
P9842
P3573
P3567
P7988
P8377
P6705
P7032
P2696
Atom CA of residue 6
P4160
Atom HE3 of residue 33
P5304
Atom HD23 of residue 8
P4271
Atom CD1 of residue 15
P3161
P8316
P4469
P6827
P3719
P8063
Atom CE2 of residue 23
Atom C of residue 42
Atom NH1 of residue 54
P7843
Atom HA of residue 32
P5640
P6268
P8155
P4277
P5496
P6455
P5651
P7745
Atom HD23 of residue 56
P4925
P9198
P6707
P8202
P4774
ILE
Atom HA of residue 57
P6074
P5089
P3645
P3691
P3881
P6841
P5852
P6334
P1624
P5329
P5277
P6298
P4300
P11266
P4672
P6665
Atom HD12 of residue 30
Atom HG3 of residue 11
P8262
Atom HG2 of residue 51
GeneralizedGuinierPorodFunction 48
Atom HZ2 of residue 33
P7621
P7277
P3697
Atom HB3 of residue 40
P3117
P4147
P2794
P6427
Atom N of residue 9
P2576
P1646
P5066
P1659
Atom CA of residue 53
P3681
Atom HD13 of residue 67
P4976
P7473
Atom O of residue 27
P487
P8062
P6259
P3757
P3950
P3852
P8426
P23
P2287
P9843
P5287
P5678
Atom C of residue 61
P6075
P5863
P12595
P4462
P6639
P2497
P3758
P6353
P6628
P5869
ListSingletonContainer428
P7538
P1998
P8717
P2726
P7286
P7997
Atom HG21 of residue 17
P4531
P8504
P4140
P4339
P10555
P11267
P2807
P6706
P6639
P1832
P2061
P2517
P4262
P6862
P4433
P6334
P1483
P6193
P5268
P7604
P2043
P4338
P4926
P2960
P3466
P4977
P6276
P7570
Atom HB2 of residue 32
P5122
Atom HG3 of residue 18
P1812
P3568
P6799
P7352
P5715
P8156
P1407
P5650
P6456
P7033
P2697
P6335
P4161
P5853
P9199
P6269
P7989
P4272
P7445
Atom HB2 of residue 71
Atom CZ of residue 42
P3162
P1812
P4470
P4
P5808
P3720
P8064
P4
P1498
P5330
P24
P5278
P8185
P5715
P10556
P4278
P6666
P2138
P7131
P7844
P8466
Atom HZ3 of residue 33
P6828
P4775
P8378
Atom HG2 of residue 40
P5090
P2496
P5306
P5641
P11268
P3692
LEU
P1901
P7351
P3882
P5652
P6842
P0
P6523
P1678
Model 254
P3574
P4301
P8197
P7353
P4673
Atom HB2 of residue 57
P8063
P6260
P8427
P2288
P3698
P6076
P3118
P4148
Atom O of residue 8
Atom C of residue 53
P2795
Atom O of residue 8
P5123
P8317
P2577
P5870
P1999
P5497
P7998
P3682
P4532
P4977
P7474
P6708
ListSingletonContainer584
P490
P6640
Atom HH12 of residue 72
P3758
P3951
P3853
P6299
P9844
P5288
ModelScoringFunction24
P5864
GaussianProcessInterpolationRestraint 35
Atom HA of residue 15
P5269
P1660
P12596
P4463
P6640
P7605
P5854
P3759
P6354
P3646
P1339
P6277
P5067
P8718
P2727
Atom H of residue 61
P8263
P7287
P6428
Atom HG22 of residue 61
P21
P4141
P4340
P7278
P2808
P5716
P5679
Atom HB3 of residue 57
Atom H of residue 9
P4263
P2044
P4434
Restraint 58
P10557
P1647
P7446
Atom HB3 of residue 71
P6194
P5651
P5853
P2518
P1625
P6524
P4339
P4927
P7622
P5809
P2961
P3467
P6707
Atom NH2 of residue 54
P7746
P7571
P5642
P8186
P5716
P6629
P3569
P7539
P8157
P1902
P5653
P7132
P2698
Atom N of residue 19
P6336
P8467
P4162
P6829
P4273
P8379
P6667
P3163
P6863
P1813
P4471
P1499
P6335
P3721
P1679
P8505
P9200
P3575
P6270
P4978
P4279
P6261
P1813
P4776
P8264
P7034
P1835
P8318
P3693
P6800
P1340
Atom HD13 of residue 30
P3883
P6843
Atom HD21 of residue 67
P4302
P7990
P4674
P1484
P8065
P7352
P8064
P7288
P8428
P6300
P3699
Atom CA of residue 3
P5865
P3119
P4149
P2796
P2578
P5871
P6278
P7354
P5498
P6077
P12597
P0
P5854
P2057
P3683
P5091
P6429
Atom HG22 of residue 17
Atom HG23 of residue 61
P5855
P2289
P6709
P5680
Atom HA of residue 9
P6641
P6262
P7845
P5124
P3759
P3952
P3854
Atom HB2 of residue 6
P5305
P5331
P5279
P5289
P6457
P4464
P4863
Atom CA of residue 11
P7999
P7606
P7623
P3760
P6355
P5068
P8719
P2728
P6708
Atom HB2 of residue 15
P1331
P2519
P4142
P6630
P4341
P7279
P2809
P1648
P7540
P1485
P5717
OptimizerState 5
P216
P7353
P1661
JeffreysRestraint_P0
Atom HG22 of residue 9
P1626
P4264
P4533
P4435
P4978
P7475
Atom HG of residue 57
P6195
Atom O of residue 53
Atom HA of residue 54
P6525
P6864
P4340
P6336
P5810
P2962
P3468
P7447
Atom CG2 of residue 3
Atom CA of residue 67
GaussianProcessInterpolation67
Atom H of residue 12
P7572
P6641
P8506
P9201
P8187
P5717
Atom CA of residue 12
P3570
P4979
P2000
P5652
P7133
P2699
Atom OD2 of residue 32
P4163
Atom HD3 of residue 33
P9845
P3647
P0
P151
P4274
P3164
P7035
P4472
Atom HD1 of residue 4
P6830
P3722
P11269
P4100
P1903
Atom N of residue 31
P5270
P1814
P4929
P5332
P5280
P3576
P6271
P8066
P4280
Atom HE22 of residue 40
P6458
P1836
P4777
P8158
P8265
P6338
P2045
P1680
P2498
P3694
P6801
P7355
P5499
P6668
P3884
P6844
P5092
Atom HG23 of residue 17
P8468
P1814
P0
P4303
P6710
P7991
P4675
P5855
P6263
P8429
P1500
P5643
P10558
P5290
P3700
P4100
P5866
P3120
P4150
P5654
P2797
P7846
P8000
P2579
Atom C of residue 12
P8720
P8380
P488
P3684
P6430
P5307
P7280
Atom N of residue 4
P3760
P3953
P3855
P8319
P4979
P7476
P67
Atom HG of residue 71
P5681
P5653
P5271
P8065
P12598
JeffreysRestraint_P1
P4465
Atom H of residue 53
P2
P3761
P2290
P6356
P6279
P2729
P1663
P6642
P1824
Atom HD23 of residue 67
P2520
P7624
P4143
P6631
P4342
P5872
P2810
P7541
P2001
P6709
P219
P7748
Restraint 35
P4265
P5856
P4534
P4436
P5644
P9846
P6196
P6078
P5655
P6642
P5126
Model 19
P8469
P4341
P6301
P2963
P3469
P11270
P7356
P7354
Atom O of residue 22
Atom HD12 of residue 13
Atom HZ1 of residue 33
P7573
P7607
Atom C of residue 6
Atom C of residue 10
P4596
P4980
P11
Atom N of residue 41
P4862
P2700
P4164
P9202
Atom C of residue 11
P4275
P1486
P5718
P8159
P8381
MD 15
P3165
P7036
P2046
P4473
P2611
P3723
P6802
P4101
P1649
Atom C of residue 8
P7289
Atom CA of residue 10
P6526
P1815
P8320
P5333
P5281
P3577
P5811
P7992
P8067
P4281
P6459
Atom N of residue 53
GaussianProcessInterpolation30
P8430
P8188
P5718
P4778
P7448
P1904
P3
Atom N of residue 58
P6669
P8301
P7134
P7847
P1627
P8507
P3695
Atom C of residue 22
P3885
P6845
P5093
P6865
Atom HD11 of residue 61
P5308
P6337
P3648
SingletonScore 15
P4304
P4676
P1825
P1681
P6831
P6302
P6272
Atom N of residue 43
P3701
P4101
P5500
P6
P5867
P3121
P8066
P4151
P2798
P4928
P1501
P6711
P6280
P12
P5656
Atom HB2 of residue 54
P7749
P8001
P3685
P6431
P5873
P6264
Atom HZ2 of residue 33
P6337
P3761
P3954
P3856
P4535
P4980
P7477
P2291
Atom NE of residue 42
P5272
P12599
P6643
P4466
P5856
P1833
P1815
P3762
P6357
P7281
Atom HD11 of residue 71
P2730
P7355
Atom CA of residue 22
Atom O of residue 5
Atom HA2 of residue 53
P6643
P7608
P5857
P4144
P4343
P10559
P11271
P2811
GLN
P4266
P4437
P8508
P9847
P2055
P5719
P6197
P6079
P8470
P6866
P4342
P2499
P7625
P6338
P2612
P2964
P3470
P2002
P7135
P4864
P7574
Atom N of residue 68
P6527
P5812
P5291
P5
P5682
TYR
P2701
P4165
P8189
P5719
P6632
ListSingletonContainer413
P4276
P1650
P7542
P1487
P8160
P8382
ASP
P3166
Atom HB3 of residue 54
P2521
P4474
P5645
ListSingletonContainer173
P3724
P4944
P6710
P5654
P3886
P8302
P7290
Atom N of residue 18
P1816
P8321
Atom HD12 of residue 61
P3578
P8721
P4282
P1905
Atom CA of residue 31
P5125
P1835
P2047
P4
P4981
P6803
P7357
P4779
P7449
P5501
P7
P6670
P1629
P5334
P6712
P3696
P7993
P7356
P7037
P6846
P7750
Atom HG22 of residue 7
P6432
P1682
P5309
P9203
P4305
P2679
P2056
P4677
P6265
Atom HA of residue 6
P6832
P4930
P5282
P6303
P6273
P3702
P8068
P6460
P5868
P3122
P8067
P4152
Atom CG of residue 11
P2799
P3649
P7282
P4597
Atom HG3 of residue 40
P5655
Atom HD11 of residue 3
P3686
P6339
P2500
P2613
P5874
P11272
P5857
P5094
P3762
P3955
P3857
P1816
P81
P5292
Atom CB of residue 67
P6080
P1664
P6644
P4467
Atom HZ3 of residue 33
P7626
P3763
P6358
P8722
P2731
P217
Restraint 137
P1
P4865
HIS
P7609
P8431
P4145
THR
P4344
P1834
P4267
P1325
P4438
P0
P5646
P8509
P6633
P7543
P5720
Atom CA of residue 61
P6198
Atom O of residue 31
P8002
P6867
P4343
P4981
P6339
P7478
P2965
P10560
P3471
P5273
P12600
P7136
P7575
GLU
P1502
P5813
P6281
P4945
P1488
P5683
Atom HA3 of residue 53
P2702
P6644
Atom HG23 of residue 7
P4166
P4536
P8190
P5720
P4982
P2680
P6804
P4277
P2003
P7450
P489
P3167
P7848
P2522
P5858
P4475
Atom HD11 of residue 8
P5335
P9848
P3725
P7994
P6711
Atom CE of residue 1
P3887
P5657
P7038
Atom HG2 of residue 54
Atom HA of residue 37
P5127
P1826
P2292
P3579
LEU
P4283
P5656
P6833
P4931
P5283
P7358
P4780
Atom HD12 of residue 71
P8069
P6461
Atom CD of residue 11
P8471
P6274
P3697
P8161
P8383
P4
P5502
ClosePairContainer
P6847
P6340
P2048
P5310
P9204
P4306
P6713
P2057
P4678
P7751
P5095
P6528
GeneralizedGuinierPorodFunction 66
P8432
P3703
Atom CG of residue 67
P5869
P3123
P4153
P2800
P7849
P5859
P152
P6282
P6671
Atom CB of residue 73
P3687
Atom CA of residue 68
P8322
P2581
P7283
P6
Atom HE21 of residue 40
P7291
P3763
P3956
P3858
Atom HB2 of residue 6
P5293
P1651
P7357
P0
P4468
P1433
Atom CA of residue 9
P1866
P4982
P7479
P3764
P6304
P6359
P10561
P8723
P2732
P1906
Model 398
P5274
P1665
P8068
Atom HE3 of residue 27
P4866
P1503
P4146
P4345
P5684
P6081
P8267
Atom N of residue 54
P6645
P2609
P1827
P1630
P4268
P4537
P4439
P6634
P5875
P7544
P6199
P6266
P8003
P6433
P1683
P4344
Atom HD12 of residue 8
P2501
P9849
P2966
P3650
P4598
P3472
Atom HD13 of residue 71
P6712
P12601
P6645
Atom CA of residue 8
P5858
Atom HE2 of residue 33
P7576
P5128
P6529
P2004
P7292
P2703
P7610
P4167
P4983
P2681
P7359
P4278
P3168
P8472
Atom HD13 of residue 61
P1817
P4476
P5336
P2293
P3726
P6805
P5721
P8162
P1908
P8384
P3888
P7039
P6868
P5311
P7627
P6340
P9205
P3580
P7995
P7451
P4284
GridCPF
Atom OD2 of residue 52
P5860
P4932
P8510
Atom HD22 of residue 8
P5814
P4781
P8070
P7850
Model 156
P5096
P2523
P2054
P1818
P8191
P5721
P3698
P6672
P7137
P6848
P5859
Atom CG of residue 73
P6341
P8323
P4307
P11273
P4679
P4946
Atom CD of residue 31
Atom HZ1 of residue 27
Atom H of residue 54
Atom CD of residue 11
P8433
P5647
P6275
P1652
P3704
P5870
P3124
P4154
P5658
P2801
P1434
Atom C of residue 9
P6305
P6283
P8069
P7293
P3688
P2582
SingletonScore 23
P7
P6082
P8268
P2610
P1631
P3764
P3957
P3859
P6834
P5876
P2057
P5503
P7358
P4469
P6267
P6434
Atom OD1 of residue 39
P4983
P7480
P5338
P5284
P3765
P6360
P10562
P3651
P4599
P6714
P2733
P6462
P6646
P4867
P7752
Atom O of residue 18
P4147
P4346
P11274
P5657
P12602
P6646
P4269
P7611
P4538
P4440
P4933
P6200
ARG
P8004
P1685
Atom N of residue 62
P4345
P1818
P1504
P9850
P2967
P5295
P7284
P3473
P5722
P5685
Model 411
P1
P7577
P5129
Atom HD22 of residue 67
P6530
P6869
P7628
P6341
P7452
P8724
Atom HD21 of residue 71
Atom CG of residue 15
Atom HD23 of residue 71
P2704
Atom HG1 of residue 7
P4168
P8511
P5815
P2682
P4279
P6713
P3169
P5860
P1819
P4477
Atom H of residue 39
P8192
P5722
P6635
P3727
P7545
P8163
Atom CD1 of residue 67
P3889
P7138
Atom N of residue 70
P3581
P7360
P4285
P5275
P1662
P2502
P5339
P5285
P4782
P1909
P218
P6463
Atom HG21 of residue 9
P1534
P6835
P9206
P3699
P4984
P4947
P6673
Atom HD3 of residue 27
P6849
P7851
P6342
P4308
P4680
Atom HA of residue 61
Atom OE1 of residue 31
P8269
P7040
P8473
P2294
P6276
P6806
P3705
Atom CD1 of residue 13
P7359
P5871
P3125
P4155
P6268
P2802
P10563
P7996
P2005
P8071
P8070
Atom HA of residue 5
P4868
P3689
P6435
Atom CB of residue 18
P5648
P2583
Atom N of residue 7
P11275
P154
P1653
P8385
P5659
Atom HG21 of residue 7
P2675
P2524
P3765
P3958
P3860
P5877
Atom CD1 of residue 15
OptimizerState 4
P5504
P6083
P4470
P1826
P8324
P8435
P5312
P3766
P6361
P4600
P6715
P2734
P5686
P5276
P6647
P7753
Atom NZ of residue 6
P4148
P4347
P6284
P8725
Atom N of residue 72
Atom CD2 of residue 67
P4270
P7612
P4539
P4441
P4936
P6714
Atom N of residue 113
P1828
P1820
P4346
P1505
P6636
P2968
P7285
P3474
P7546
P5723
Atom HB of residue 61
P12603
VAL
P7578
P1436
P5130
P8474
P2058
P4984
P7481
P6306
P7361
P7453
Atom H of residue 2
MovedSingletonContainer6
P2705
P4169
P5861
P6836
P2503
P7629
P5816
P3652
P2683
P4280
P6201
P3170
P7041
P6647
P8005
P4478
P9207
P8193
P5723
P3728
P4985
P4948
P8386
Covariance1DFunction 76
P5658
P3890
P7139
P4869
P6343
Atom HA of residue 39
P9851
P3582
P4286
P6531
P7895
P8325
P5649
P5286
P5294
P4783
Covariance1DFunction 67
P6464
Atom HD2 of residue 45
Atom CA of residue 54
Atom H of residue 73
P2525
P3700
P8072
Atom CD of residue 37
P6850
P7294
Atom H of residue 1
Atom HD12 of residue 50
P5313
Covariance1DFunction 48
P5340
P8512
P2295
P4309
P4681
P8164
P1910
P5660
Atom HE2 of residue 27
P2676
P6870
P1686
P6342
P153
P6807
P2006
P3706
P5505
P5872
P3126
P4156
P6307
P6716
P7997
P7754
P3690
P1829
GLN
Atom H of residue 6
P4935
P2584
ListSingletonContainer43
P10564
P6285
P7360
P6674
P8270
Atom OE2 of residue 18
P3766
P3959
P3861
P1819
P11276
ASN
P4471
P6269
P7852
P3767
P6362
Model 403
P6277
P7286
P4601
P1654
P2735
P5277
LEU
P3060
Model 360
P5131
P4985
P7482
P4149
GLY
P4348
P3654
P5687
Atom HE1 of residue 45
P8071
P3
P2677
P4271
P6437
Atom N of residue 66
P4442
P2068
Atom H of residue 67
P5861
P6648
Atom CG of residue 11
P8006
P1628
P4347
P8513
P6637
P5878
P2969
P3475
P7547
P6715
P12604
P7579
P8475
P6871
P1506
P6343
P9852
Atom HG12 of residue 61
PairScore 9
P6084
P6648
P2706
P6532
P7896
P4170
P1821
P5862
P4540
P8434
P2684
P7362
P4281
P1519
P6202
P491
P3171
P7042
Atom HA of residue 73
P7613
Atom CA of residue 62
P4479
Atom HG of residue 8
P3729
P4986
P4949
P8387
P3891
P7295
P3571
Atom HD13 of residue 50
P7630
P9208
P3583
P5296
P5724
P8165
P0
P4287
ARG
Atom C of residue 54
P8326
Atom CA of residue 66
P6808
P4784
P7454
P8726
P5659
P1953
P2056
P1820
P2504
P5817
P3701
P7998
P8073
P6851
P4872
Atom CA of residue 18
P1687
P5314
P135
P5724
P3653
P4310
P4682
P7361
P6675
P5661
P8271
P7140
P1822
P3707
P5873
ScoreState 35
P3127
P1316
P4157
P6270
P5287
P6308
P2069
P1655
P6465
P3691
P1
Atom HB2 of residue 39
P2585
P5506
P8072
Atom HG22 of residue 12
P3767
P3960
P3862
P6717
Atom CB of residue 6
Atom OE1 of residue 16
P4472
P7853
P7755
P1437
THR
P6344
P5650
P3768
P6363
P5879
P6278
P4602
Atom HA of residue 3
P2736
Atom CA of residue 70
P6837
P4986
P7483
P4150
P4349
P2007
P8727
P6649
P2678
P4272
P4443
P4937
P5337
P1520
P5862
P6649
P8007
P7614
P4348
P8514
P2970
P10565
P3476
Atom C of residue 37
P7580
P6872
P8436
P7631
P6344
P2296
P9853
P5297
P11277
P8
P5725
P2338
Atom CA of residue 72
Atom HA of residue 67
P6085
P5278
Atom O of residue 54
P7296
P2707
P4171
Atom C of residue 66
Atom C of residue 62
P4541
P2685
P6286
P4282
P7455
P6203
P5660
P1
P494
P3172
Atom HE3 of residue 11
Atom HB3 of residue 46
P4480
P5818
P3730
P7287
P5688
P3892
P4873
P2526
P6436
P5725
P6638
P3584
P2058
P7548
P8166
P4288
GaussianProcessInterpolation51
P12605
P5662
P7141
P1954
P5340
P4939
P4785
P6716
P3061
P5132
Atom C of residue 18
P5288
P3702
Atom CD of residue 37
P6466
P6852
P6345
P7897
P8476
P8199
Atom HB3 of residue 39
P1507
Atom HZ3 of residue 6
P4311
P4987
P6809
P7363
P4683
P4950
P8388
P5507
P6676
P1821
P6718
P7999
P3708
P7362
P5874
Atom CA of residue 113
P3128
P4158
P7043
P7854
P7756
P1438
P6533
P9209
P3692
P6838
P5651
P2586
ListSingletonContainer414
P6287
P8074
P8073
Atom CD1 of residue 73
P3768
P3961
P3863
P8327
P5317
Atom OE2 of residue 16
P4473
Atom C of residue 70
P2505
P136
P3769
P6364
P5880
P4603
P2008
P9
Atom HA of residue 37
P2737
P1830
P8437
P4151
P2297
P6309
P4350
P7288
P8728
P6086
P5279
P6650
P2
P7297
Atom HD21 of residue 50
P2527
P4273
P4444
PairsRestraint 8
Atom N of residue 46
P8272
Atom N of residue 47
P7615
P4349
P5341
P2971
P10566
P3477
Atom C of residue 72
P6271
P7581
P5133
Model 214
GaussianProcessInterpolation32
P6639
P5298
P11278
P2059
P7549
P5726
P2708
P6534
P7899
P4172
P4542
P4940
P4987
P7484
P2686
P4283
P7456
Atom CG of residue 52
Atom HB3 of residue 67
P5661
P3173
Atom CB of residue 54
P5340
P6438
P4481
P5819
P3731
Atom HB2 of residue 37
P5689
Atom HG22 of residue 61
P5146
P3893
Atom HG1 of residue 9
P6650
P8008
P8477
P8200
P1823
P5072
P5726
P3585
P4988
P6810
P1656
P4951
P4289
P1907
P8389
P12606
P7142
P6873
P6345
P9854
P6279
P8000
P4786
P10
P6717
P220
P5663
P7044
P1439
P1508
P8515
P3703
P6853
Atom HD22 of residue 50
P6346
P1684
P6839
P3655
P4312
P7364
P4684
P8075
Covariance1DFunction 23
Atom C of residue 113
P8273
P1831
P8328
P7632
P3709
P8167
P5508
P5875
P3129
P4159
Atom O of residue 70
P2528
P9210
P7289
P6719
P1521
ALA
P1955
P7757
P3693
Atom HG3 of residue 11
P1822
P2587
P6310
P6288
P4941
P7855
P3769
P3962
P3864
P6677
P4474
Atom CD2 of residue 73
P3062
Atom HB2 of residue 65
P5652
P3770
P6365
Atom HD21 of residue 8
P10567
P4604
P2738
P5147
P5341
P6272
Atom O of residue 25
Atom HZ3 of residue 48
bonded
P2506
P8438
P4152
P5289
P4351
P6280
P11279
P7363
P6467
P4274
P4445
P4988
P7485
Atom OD2 of residue 52
P5662
Atom H of residue 16
P8074
P6439
P4350
P5342
P2298
P2972
P3478
P5690
Atom HG23 of residue 61
P6087
P7582
P6651
P8009
P5134
P2
P1824
P0
P5315
P5073
P6640
P5881
P5299
P1657
P7550
P492
P2709
P1323
P6535
P6874
P4173
P4543
P6346
P9855
P2687
P4284
P8729
Atom O of residue 72
P6718
P3174
P12607
P6651
P1440
P2529
P7900
P4482
P4934
P8516
P3732
ModelScoringFunction21
P3894
P7616
P3586
P4989
P7365
P4952
P4290
Atom O of residue 113
P2614
P7633
P6811
P4787
P5727
P8168
P223
Atom H of residue 4
P5280
P7045
Atom OD2 of residue 39
P9211
P5290
P3704
P8001
P2009
P7457
P1522
P6468
P1337
P6854
P5653
Atom HA of residue 16
P5820
P4313
P4685
P16
P8076
P8274
P4942
P7856
Atom N of residue 49
P2507
P5727
P2060
P3710
Atom CB of residue 72
P6678
P5876
P3130
P4160
Atom HG23 of residue 7
P7143
Atom CG of residue 54
P1956
P3063
P8478
P6273
P3694
PairPredicate 6
P2588
P5148
Atom CA of residue 46
P5664
P8239
Atom CB of residue 70
P7298
P6348
P3770
P8195
P3963
P3865
P8390
P8075
P4475
Atom CG of residue 25
Atom C of residue 47
P1824
P6840
P3771
P6366
P4605
P8730
P2739
Atom O of residue 38
Atom HG of residue 67
P6088
P5342
P1825
P8329
P8439
P5320
P5074
P4153
P4352
P5882
P5300
P6281
P5509
P7364
P5281
P4275
P4446
P4989
P7486
P10568
P6720
P2127
P6289
P6652
Atom N of residue 8
P7758
P1441
P6440
P4351
P2973
P3479
P11280
Atom N of residue 5
P5728
P5663
phys
P7583
P6652
P8010
P7617
P3656
P2010
Atom HA of residue 16
P7299
P2710
P8479
P4174
P4544
P2299
P6311
P9856
P2688
P4285
Atom N of residue 38
P5691
P3175
P1832
P4483
P5728
P3733
P7551
P7458
P3895
Model 127
Atom CD of residue 54
P5344
P1511
Atom HB2 of residue 16
P3587
P5821
P4291
P8391
P6719
Atom CG of residue 113
P12608
P2615
P5136
P6641
P7290
P4788
P8169
P7144
Atom CB of residue 44
P6536
P8330
P7634
P5291
P3705
P7366
P6469
P0
P6855
P7901
P6841
P5321
P4314
P4686
Atom CG of residue 72
P8240
P4943
Atom HD23 of residue 50
P8517
P9212
P4990
P1658
P4953
P3711
P6679
P5877
P3131
Atom HE2 of residue 45
P4161
P3
P3064
P7857
Atom O of residue 47
GLN
P6875
Atom HB3 of residue 4
P6347
Atom HD11 of residue 67
P7046
P3695
P2589
P6312
P155
P6812
P5149
P7365
P5665
P3771
P8196
P3964
P3866
P10569
P3657
P8002
P6290
Atom H of residue 52
P8077
Atom CG of residue 38
P8076
P4476
Atom CG1 of residue 70
P1442
P3772
P6367
P4606
P11281
P8731
P2740
Atom HB3 of residue 11
P6274
P1826
P8441
P5075
P4154
P4353
P5883
P5510
P6089
P5282
Atom CB of residue 11
P8275
P7300
P4276
P4447
P5654
P6721
P2061
P5692
P6653
P7759
P1834
P6441
P4352
P2974
P3480
P7552
P1523
P5729
P1957
P7584
P6347
P7618
P8518
P2300
P6720
Atom OD1 of residue 113
P5344
P2711
P8480
P6876
P4175
P1825
P4545
P6348
P0
P6642
P6282
P7291
P2689
P4286
P3176
Atom CG1 of residue 44
Atom N of residue 51
P6537
P4484
P5318
P4990
P1512
P7487
P30
P5729
P3734
P7367
P2011
P7459
PRO
Atom HG13 of residue 61
P3896
P3588
P5822
P27
P4292
P8392
P221
Atom HB2 of residue 16
P12609
P6653
P8011
P5655
P9213
Atom HB3 of residue 16
P4991
P1659
P4789
P4954
P5664
P7145
P8331
P9857
P5301
P3706
P7047
P6856
ASN
P2530
Atom N of residue 6
P4315
P4687
Atom HZ of residue 45
P5666
P8241
Atom NE of residue 54
P7902
Model 42
P2508
P7635
P3712
Atom HA of residue 52
P8078
P5878
P3132
P4162
P3065
P2616
P4097
P5343
P5319
P8170
P493
P6275
P4938
P3696
P5135
P2590
P5292
P6313
P6813
P1524
P5511
P5150
P6470
P8276
Atom CA of residue 49
P3772
P3965
P3867
Atom HG3 of residue 38
P6722
P8003
P4477
P7760
P6442
P3773
P6368
P10570
P4607
P2741
Multivariate Normal distribution 19
P7366
P6680
P1958
P27
P4155
P4354
P11282
P156
P7858
P4277
P1826
P4546
P4448
P6283
P7292
P8732
P7301
P6349
P4353
P4991
P5656
P7488
P2975
P3481
P5693
Atom CD of residue 72
P8077
P7585
P8519
P3658
P5302
P2062
Atom CG of residue 41
Atom CG2 of residue 44
P2712
P1443
P6654
P8012
Model 196
P6877
P4176
GaussianProcessInterpolation13
P6842
P6349
P5076
P6643
P5884
P2690
P4287
P7553
P6721
Atom HB3 of residue 16
P5283
P3177
P4485
P9858
P3735
P6291
P6090
P3897
P8235
P6654
GLU
P3589
P7368
P4293
Atom HG21 of residue 61
P7619
P2509
P8442
P7636
P4992
P4790
P2012
P4955
P5665
GLY
P4098
P5829
P1509
P9214
P3707
P5730
P8171
P7048
P6857
Atom CG2 of residue 70
P5343
Atom H of residue 15
P5293
P4316
P6814
P1660
P7460
P4688
Atom CG of residue 37
P6471
Atom HG22 of residue 7
P8481
P5345
P5823
P8004
P3713
P8079
PRO
P8393
P5879
P3133
P4163
P12610
P3066
P2617
P5137
P2301
P5730
Atom HH22 of residue 72
P7367
P6681
P5667
P7146
P4939
P3697
P6538
Atom C of residue 49
P2591
Atom CE of residue 11
P5151
Atom HB2 of residue 67
P1837
P3773
P3966
P3868
P6292
P8733
P4478
P2531
P6350
P7898
P8332
Atom HD2 of residue 38
P3774
P6369
P4608
P1525
P2742
Atom NE of residue 72
P8078
P8236
Atom CZ of residue 54
P1959
P6843
P4156
P4355
P6723
P2063
Atom OE1 of residue 41
P7859
P7761
P1444
P4278
P1827
P4547
P4449
P5077
P6314
P5885
P5284
P4354
P4992
P7489
P2976
P3482
Model 332
P6655
P8277
P4874
P7586
P5303
P5512
P6276
P2713
P6655
P8013
P7620
P4177
P8443
P10571
P4288
P5666
P3178
P6539
P4486
P9859
P3736
P11283
P5731
P6091
P3898
Atom H of residue 70
P2510
P3590
P7293
P7461
P1328
P4294
Atom CB of residue 113
P7302
Atom CA of residue 47
P6443
P8482
P5346
P5824
Atom SG of residue 127
P4791
P5694
P8394
Atom CB of residue 29
P5345
Atom HA of residue 44
Atom HA of residue 15
P5138
P4099
P6878
P5830
P1510
P6350
P5731
P6644
P3659
P6284
P3708
P7554
P2013
P8172
P1454
P5668
P7147
P6858
P8520
Atom HZ1 of residue 6
P4317
P4689
P6722
P1849
P2302
P3714
P5880
P3134
P4164
P12611
Atom HB of residue 9
P8278
P4875
P3067
P2618
P8333
P5657
P4993
P6815
P7369
P4956
Atom OD1 of residue 52
P6682
Atom NH1 of residue 54
P3698
P6844
P2592
P6724
P8005
P2064
P5152
P1504
P7368
P7049
P7860
P7762
P2532
P3774
P3967
P3869
P9215
P6315
P6293
Atom HD13 of residue 15
Atom HG of residue 20
P5513
Chain A
P4479
P3
P6351
P7779
P2055
P7637
P3775
P6370
P4609
P8080
P2743
P222
P8079
Atom HB2 of residue 15
P4157
P4356
Atom N of residue 128
ListSingletonContainer415
Atom HG2 of residue 16
P6277
P4279
P1828
P4548
P4450
Atom HD3 of residue 38
P2511
P5078
P5294
P5886
P6285
P7294
P1526
P6472
P6444
P4355
P2977
P3483
P6092
P6656
P0
P7587
P1445
P1838
GaussianProcessInterpolationRestraint 0
P1960
P2714
P7621
P4178
P8444
P10572
P4289
P8734
Atom N of residue 21
Atom CG of residue 29
P3179
P5346
Atom HB of residue 44
P6540
P6879
P4487
P5831
P6351
P6645
P3737
P3660
P11284
P7555
P5732
Atom CE of residue 6
P1505
P3899
P1369
P4993
P7490
P8521
Atom HZ2 of residue 6
P3591
P4295
P5667
P7303
Atom O of residue 49
P1850
P5347
P5825
P5305
P4792
P5695
P1455
P6656
P8014
P5139
SingletonScore 5
Atom OD2 of residue 39
P5732
Linear1DFunction 14
P3709
P4994
P6816
P7462
P4957
Atom OE2 of residue 18
P5285
P12612
P7148
P6859
P5295
P9860
P4318
P8006
P4690
P6723
P5514
P6473
P5669
P7050
P17
P3715
P5881
P3135
P4165
P8279
P4876
P3068
P2619
Atom H of residue 15
P7780
P7638
P7370
P8081
P1452
P3699
P1370
P8483
P1841
P2593
P8173
P5153
Atom NH2 of residue 54
P6278
P3775
P3968
P3870
Atom N of residue 39
P6845
P9216
P6725
Atom HG3 of residue 16
P4480
P7763
Atom CB of residue 29
P6352
Atom HA of residue 39
P3776
P6371
P4610
Atom HD21 of residue 15
Atom O of residue 41
P2744
P8395
P7861
Atom CB of residue 49
Atom C of residue 13
P4158
P2303
Atom CA of residue 49
P4357
P2065
P1527
P6683
Atom HB of residue 7
Atom HG1 of residue 7
P1961
P0
P4280
Atom NE of residue 72
P8334
P4451
P5658
P10573
ARG
P6286
P2014
P8735
P5286
P6445
P4356
P2978
P3484
P11285
P6294
P7369
Atom C of residue 11
P7588
P2533
P1371
P4994
P7491
P1
P5668
P8080
Atom O of residue 22
P7304
P2715
P4179
P4549
P8440
P4290
Atom CB of residue 5
P6093
P5347
P6657
P8015
P8484
P4488
P5832
P5079
P6316
P6646
P5887
P3738
P7556
Atom CE of residue 1
ASP
P3900
P12613
P9861
P3592
P4296
P6724
P6657
Atom HG21 of residue 7
P1453
Atom CG of residue 29
Model 178
P5348
Atom N of residue 10
P4793
P5696
P8396
P5140
P7622
P3710
P4995
P7371
P4958
P5062
P6860
P6541
P1372
Atom CZ of residue 72
P8335
Atom HD23 of residue 73
P1851
P5296
P4319
P6817
P4691
P5733
P8174
P6474
P7051
P1
P1833
P2512
P3661
P8007
P3716
P5882
Atom C of residue 4
P3136
P4166
P3069
P2620
P6353
P7781
P8522
P5826
P7295
P1688
P8082
Atom HG23 of residue 13
P495
Atom N of residue 17
P7862
P3700
Atom HA of residue 15
P6880
P1842
P7639
Atom O of residue 13
P6352
P2594
P5733
P5304
P2066
P7463
P5154
P6684
P1456
P7149
P3776
P3969
P3871
Atom O of residue 4
P9217
P6317
P4481
P2534
P3777
P2304
P6372
Atom C of residue 49
P4611
P6295
Atom CG2 of residue 5
P2745
P5063
P5670
P4877
Atom HB2 of residue 39
P1373
P4159
P4358
P2015
P8081
P6279
P4281
Atom CG of residue 49
P4452
P8736
P6094
P5287
P8280
P4357
P5833
P5080
P5888
P2979
P3485
Covariance1DFunction 30
P7370
P7589
P6846
P2425
P4995
P5659
P7492
P10574
P6726
Atom C of residue 29
P6658
Atom H of residue 54
Atom HD23 of residue 15
Atom CD1 of residue 44
P2716
P7764
P4180
P5349
P4550
P1493
P8523
Restraint 70
Atom HE3 of residue 6
P11286
P4291
P1984
P5669
P5348
P6658
P8016
P5141
P7623
P8485
P6881
P4489
P6353
P3739
P6287
P5515
P3901
P7305
Atom CD of residue 29
Atom HZ3 of residue 11
P6542
P6447
Atom N of residue 74
P36
P9862
P3593
P5734
P4297
Atom CA of residue 128
P7296
P4794
P8397
Atom HB3 of residue 11
P5827
P3711
P6725
P1506
P5064
P6861
P1962
P2535
P8336
P5734
P6647
P4320
P7557
P4692
P8175
P12614
P7150
Atom NH1 of residue 72
Multivariate Normal distribution 0
P2548
P1689
P1528
P3717
P5697
P5883
P3137
P4167
P3070
P2621
P1829
P1852
P5306
P158
P7464
P498
P1457
Atom C of residue 22
Atom HG2 of residue 11
P4878
P3701
P2595
P4996
P7372
P4959
P5155
P6685
P6280
P7863
P1446
P3777
P3970
P3872
P5297
P6475
P4482
P8281
P7052
P2513
P7640
P3778
P2305
P6373
P4612
P6818
P2746
P7371
P5671
P8495
P1588
P7782
Model 243
P5660
P4160
P6318
P4359
P10575
P3662
P8008
P8083
P1576
P8082
P1
P4282
P4453
P1494
P9218
P11287
P8737
P1507
P5349
P4358
P5081
P5889
P2980
P6288
P3486
ScoreState 19
P5516
P5417
P6095
LEU
P7306
P7590
ARG
P6847
P6727
P1985
P6659
P2717
P7765
P6354
P4181
P4551
P8524
P1
P7297
P2067
P4292
Atom O of residue 29
Atom HA of residue 54
Atom H of residue 44
Atom CD of residue 49
P7624
P6882
P4490
P6354
P3740
P2016
P6726
P5288
P3902
Atom HB3 of residue 39
P6648
P3594
Atom C of residue 128
P6296
P7558
P5735
P4298
Atom CA of residue 22
P1383
P4996
P2549
P7493
P1690
P4795
Atom HG11 of residue 5
P5698
VAL
P1963
P1830
P2426
P5828
P5307
P3712
P5418
P6862
P6659
P8017
P5735
Atom C of residue 7
P4321
P4997
P11864
P4693
P4960
P1529
P8398
Model 311
P5670
P7151
P1447
P24
P5298
P9863
P3718
P6476
P5884
P3138
P4168
P7053
Atom CA of residue 24
P3071
P2622
P6446
P8486
P2514
P7641
P7465
Atom NH1 of residue 74
P5672
P8496
P3702
P7783
P1853
P5350
P5834
P2596
P3663
P8084
Atom HA of residue 9
P5142
P6543
P3778
P3971
P3873
P9219
P8738
P8176
P1503
P4483
Atom CA of residue 29
P1589
P6355
P3779
P6374
Atom OD2 of residue 48
P4613
P157
P6819
P6297
P7373
P2747
P1577
P5517
P224
Atom CA of residue 50
P12615
Atom C of residue 6
P8337
P1495
P6848
P5661
P4161
P4360
P6728
P8009
P1508
P7766
P4283
Atom NH2 of residue 72
P4454
P2306
P10576
P2070
P5156
P5065
P6686
Atom OE1 of residue 49
P4359
P2981
P3487
P11288
Atom HZ3 of residue 27
P5289
P7864
P7591
Atom N of residue 40
P7372
Atom CA of residue 17
P1458
P8282
P7307
P4879
P2718
P6544
P4182
P4552
P4997
P7494
P4293
P2017
P8083
P6281
P4491
P5835
P3741
P7298
P3903
P6660
P8018
P2536
P1384
P5082
P6320
P6649
P5890
P3595
P11865
P7559
Atom NH2 of residue 74
P4299
P8399
P6727
P5351
P9864
P4796
P5699
P6096
P6660
P5143
P8487
P1831
P1
P5308
P3713
P6863
P7625
P6883
Atom HD21 of residue 73
P6355
P6289
P4322
P4998
P4694
P4961
P5067
P5671
GLU
P8283
Atom C of residue 24
P5350
P6448
Atom CE1 of residue 4
P8525
P6854
P3719
P5736
P8177
P5419
P5885
P496
P3139
P4169
P7054
Atom HB2 of residue 54
P3072
P2623
P6820
P7374
P4880
P3703
P7784
P8338
P2550
P5662
P2597
P3665
P8085
P1986
P1504
P6282
Atom C of residue 29
P3779
Atom H of residue 72
P3972
P3874
P2427
P9220
ListSingletonContainer45
P5736
P2071
P6687
P5673
P4484
P7152
P6356
P3780
P6375
Atom HD12 of residue 8
Atom O of residue 128
P4614
P6298
P1691
P1530
P2748
Atom N of residue 28
P227
P12616
P1964
Restraint 149
P4162
P2307
P4361
P8010
P7466
P4284
P4553
P4455
P2515
P5157
P8084
P8497
P6545
P4360
P6849
P5299
P2982
P6290
P3488
P6477
Multivariate Normal distribution 35
P1459
Atom O of residue 11
P7865
P7767
P7592
P1448
P7642
P5083
P5891
P2719
P4183
P4998
P7495
P6729
P4294
P2018
P5518
P2
Atom HB2 of residue 67
P6661
P5351
Atom HA of residue 3
P1854
P4492
P1496
P5836
P3742
P7373
P3904
P6661
P8019
Model 427
P7626
P6884
P6356
P28
P3596
P10577
P11866
P4300
P1578
P5672
Atom C of residue 17
P8284
Atom O of residue 24
P1590
P2537
P6449
P5352
P8526
P9865
P6855
P11289
P4797
Atom H of residue 74
P1987
P5737
P5422
P6097
Atom HB3 of residue 54
Atom CG of residue 60
P5144
Atom CA of residue 30
P3664
P5309
P3714
P8739
Atom HG23 of residue 12
P1509
P6864
Atom CG of residue 2
P7308
Atom HA of residue 59
P6319
P4323
P4695
P5068
Atom C of residue 50
P5290
P2428
P5300
P5737
P6650
P7299
P7560
P3720
P8178
P6478
P5886
P3140
P4170
P5674
P7153
P3073
P2624
Atom HD13 of residue 8
P7375
P1692
P5700
P6728
GaussianProcessInterpolation60
P8499
P1965
P4881
P3704
P1832
P2598
ListSingletonContainer48
P1
P7467
P12617
P6283
P1449
P3780
P8488
P3973
P3875
P5663
Atom CB of residue 128
P4999
P6821
P4962
P1531
P6688
P4485
Atom OD1 of residue 60
Atom NE2 of residue 49
P6850
P3781
P6376
P4615
ListSingletonContainer416
P2749
P5519
Atom HB3 of residue 67
P7055
P7866
P7768
Atom H of residue 39
P7643
P2551
P4163
P4362
P8400
Atom CG of residue 37
P4285
P7785
P4554
P4456
P8740
P8086
P5158
P8085
P8339
P4361
P9221
P2983
P6291
P3489
P1505
P7374
P5291
P7593
P6358
P5084
P5892
P8011
P6299
P2720
P4184
P1855
P1497
P4295
P2021
P6098
P6662
P5352
P4493
P3743
P5310
P1580
P3905
Atom HA of residue 7
P1591
P6546
Atom HB2 of residue 59
P7627
P8489
P2516
P3597
P10578
P6730
P4301
Atom C of residue 30
P6450
P6651
P6856
P11290
P7561
P4798
P5738
P1510
P8341
P4999
P7496
P2308
P3715
P7376
P5701
P8401
P5420
P5673
P6865
Atom HG2 of residue 54
GLU
Atom H of residue 20
P7309
P2538
Atom H of residue 49
P1833
P5837
P4324
P4696
Atom HA of residue 74
P1988
P6729
P6662
P8020
P5301
P5738
Atom HG2 of residue 16
P7300
P5000
P6822
P11867
P4963
P3721
P6479
P5887
Atom O of residue 50
P3141
P4171
P7154
P3074
P2625
P5354
P9866
P8087
P1460
P5675
P8500
P8285
P7056
P3705
P5146
P2599
P8529
P6321
P2072
P7468
P1567
P1450
P7786
P3781
P6885
P3974
P3876
P6357
P225
P5069
P4486
P1966
Atom HB3 of residue 72
P9222
P3782
P6377
P4616
P8179
P2750
P12618
Atom ND2 of residue 60
P8490
P6851
P2429
P2552
P4164
P4363
P8012
P6300
Atom HB of residue 3
Atom HG of residue 67
P4882
P7769
P4286
P4555
P4457
P7644
P1693
P8741
P13
P1506
P5421
P5159
P6284
P7867
P2
P4362
P2984
P3490
Model 96
Atom HZ2 of residue 27
P7375
P6689
Atom O of residue 17
P5292
P1462
Atom HB of residue 7
P7594
P5664
P10579
P6731
P2022
P497
P2721
Atom CG of residue 16
P4185
P3
GaussianProcessInterpolationRestraint 1
P11291
P4296
P0
P8342
P4494
P5000
P7497
P8530
P3744
P5061
P6730
P5674
P8086
P3906
P7310
P6547
P6886
P5838
P6358
P3598
P3666
P6292
Atom HB2 of residue 74
P4302
P6099
P8286
P6663
P8021
P6451
Atom CA of residue 73
P0
P5085
ListSingletonContainer140
P2309
P6652
P5893
P6857
P7301
P11868
P7562
P4799
P6357
P9867
Atom CG of residue 128
P3716
P5001
P5702
P8402
P6663
P6866
P5354
P1834
P1856
P1498
P6322
P4325
P2073
P7377
P4697
P5520
Atom HB2 of residue 20
Atom HA of residue 49
P7628
P4964
P3722
P1341
P5888
P3142
P4172
Atom HZ2 of residue 11
P3075
P2626
Atom HG2 of residue 72
P2517
Atom HG3 of residue 16
P6823
P1532
P8088
P1989
P5739
P8180
P7057
P3706
P2600
P2
P1511
Atom HD12 of residue 67
P4883
Atom N of residue 30
P7787
P3782
P3975
P3877
P5311
P5070
P4487
P6285
P7868
Atom CD of residue 16
P9223
P5302
P3783
P6378
P5739
P4617
P2751
P1581
P7376
P6480
P6690
P12619
P7155
Atom HG3 of residue 54
P1592
P4165
P4364
P8013
P1694
Atom CB of residue 17
P8087
P8502
P1967
P4287
P5353
P4458
Atom CD of residue 128
P7469
P15
P1507
P5160
P5676
P5145
P2539
P4363
P4556
P2985
P3491
Atom HD11 of residue 67
P7595
Atom HB3 of residue 59
P7645
P5001
P5665
P7498
P6293
P6732
Atom HG22 of residue 30
P6100
Atom CB of residue 50
P2722
P6452
P4186
P6359
P5086
P5894
P6858
P4297
P1342
P6359
P4495
P6852
P2430
P8531
P3745
P10580
P8742
P5062
P5521
P3907
P6664
P7770
Atom H of residue 60
P8491
P6887
P2518
P2553
P6323
P3599
P11292
P1533
P4303
P5675
P5293
P1463
P8287
Model 0
P6664
P8022
P7629
P11869
P6301
P4800
P7311
P1857
P1499
P9868
P5312
P3717
P5740
P6867
P7302
P4326
P2074
P4698
Atom HD13 of residue 67
P1593
P8343
P3723
P1990
P5423
P5889
P3143
P4173
P2627
P2122
Atom CD of residue 19
P5303
P5740
P6653
P7563
P8181
P1582
P1512
P6481
P7156
Atom HD2 of residue 54
P3707
Atom HB2 of residue 49
P2601
P32
P5002
P5703
P8403
P3783
P3976
P3878
P5839
P3667
P7470
Atom CG of residue 50
P4488
P5353
ILE
P3784
P2312
P6379
P4618
P159
P7378
P4965
P2752
P6691
Atom HD12 of residue 67
P1968
P2812
P7869
P2540
Atom OE1 of residue 16
Atom HD1 of residue 59
P5355
P7646
P5666
P4166
P4365
P6733
P6302
P7377
Atom CG1 of residue 17
P8088
Atom O of residue 22
Atom H of residue 7
P7058
P5147
P4288
P4459
P6824
Atom CD1 of residue 15
P5161
P5677
P6360
P7788
Atom HA of residue 72
P4364
P4557
P2431
P2986
P10581
Atom NE of residue 128
P3492
P8743
P8089
Atom HG21 of residue 3
P5063
P6731
P5522
P7596
P1451
P2
Atom HA of residue 60
Atom HG2 of residue 49
P8492
P9224
P11293
Atom HB3 of residue 74
P1508
P5294
P12620
P2723
P4187
P2519
P5087
P5895
P8014
P4298
P2019
P5066
P6101
P7312
P4884
P8344
P4496
P6853
P8527
P0
P3746
P1695
P3908
P8501
P6665
P6286
P7771
P3282
Atom HA of residue 19
P5840
P2554
P3600
P7303
P2075
P4304
P226
P1319
P7630
P1835
P5002
P7499
Atom HE2 of residue 6
P4801
P8201
MET
P6360
P28
P6654
P3668
P5313
P3718
P7564
P5741
P6868
Atom CA of residue 11
P4327
P4699
P5704
P8404
P6888
P6294
P3724
P5890
P3144
P4174
Model 137
P6665
P8023
P2628
P6324
P5741
P5003
P11870
P4966
P5676
P7157
P3708
P1594
P6453
P5356
P2602
P9869
Atom CD1 of residue 50
P1465
P7059
P5355
P4885
P5148
P3784
P3977
P3879
P1500
P6854
P2313
P7471
P1583
Atom CD2 of residue 15
P5678
P4489
P6287
Atom N of residue 65
P7789
P4558
P6
P3785
P6380
P6859
P4619
P7379
P8090
P2753
P6732
P2813
P8493
P1858
P9225
P4167
P4366
P6303
P14
P8182
P7772
P2541
P4289
P4460
P8528
P6734
P8015
P6825
P5162
P1513
P6693
P4365
P5667
P2987
P3493
P160
P1509
P5064
P5424
P4939
P8202
P7597
Model 20
P0
Atom HB2 of residue 72
P5304
P10582
P6295
P1991
P5523
P6482
Atom CG2 of residue 17
P12621
P2724
P1454
P6361
Atom HG3 of residue 49
P4188
P1836
P11294
P4299
P1696
P2020
Atom HG3 of residue 74
P7870
P8345
P4497
P7
P3747
P3
P1536
P312
P7378
P3909
Atom HA3 of residue 76
P7313
P3283
P5841
P5003
P2555
P7500
P6325
Atom CA of residue 11
P5896
P3601
P4305
P8089
P8498
Atom HD21 of residue 67
P6889
Atom HB2 of residue 19
P7647
P6361
P6860
P7304
P4802
Atom HD13 of residue 30
P6694
P1969
P6666
P8024
Atom HB2 of residue 2
Model 414
P5088
P6655
P3719
P11871
P7565
P6869
P1
P6454
P2432
P9870
P4328
P4700
P8744
P5705
P6102
P6666
Atom C of residue 11
P5356
P1859
P3725
P5891
P3145
P5295
P4175
Atom HB2 of residue 60
P2629
P5149
SER
P7631
P5305
P5004
P7380
P4967
P6733
P5677
P6483
Atom HD22 of residue 67
P3709
Atom HD2 of residue 59
P5357
P2520
P2603
P5315
P2651
P5742
P8183
P7060
Atom H of residue 17
P4886
P3785
P3978
P3880
P4
P6826
P1579
P6695
P4490
P6288
P1455
P1595
P7790
P1501
P5668
P3786
P6381
P4620
P2076
P8091
P2754
P4940
Atom HD3 of residue 54
P2814
P9226
P4168
P5742
P4367
P3669
P1514
P1464
P5679
P7158
P4290
P4461
P8016
P8405
P5163
P12622
P4366
ListSingletonContainer44
P2988
P3494
P7472
P8745
P1992
P5066
P8203
P1329
P7598
Atom CD1 of residue 4
P1324
Atom HD11 of residue 13
P5897
P6296
P5425
P499
P5296
P8090
Atom HD22 of residue 67
P2725
P6362
P4189
P1837
P7648
P6304
Atom H of residue 2
P4300
P1537
Atom N of residue 31
P6696
P6667
P7871
P1456
P8340
P4559
P4498
P5089
P2310
P3748
P7379
P3910
P8376
Atom HB3 of residue 60
P6667
P8025
P3284
Atom O of residue 48
P5004
P7501
P6326
P3602
P6735
P4306
Atom CA of residue 71
P6861
Atom H of residue 17
P2542
P7632
P10583
P3720
P11872
P5524
P5678
Atom CG1 of residue 13
P6870
P1970
P6455
P9871
P4329
P11295
P4701
P5743
P8406
P6103
P5357
Atom HE21 of residue 49
P5842
P3726
P1510
P6697
P5892
P3146
P4176
Atom CG2 of residue 7
P7314
P2630
P5150
P5306
P2077
P1446
P6484
Atom HE of residue 54
P7773
P3710
Atom CG of residue 48
P1698
P5358
P2433
P2604
P5743
P6656
P7305
P7566
P2652
Atom HD2 of residue 74
P8184
P5680
P7159
P1596
Atom OE1 of residue 18
P3786
P3979
P3881
P8249
P7381
P1697
P5706
P8377
P4491
P1330
Atom HA of residue 17
P6890
P1860
P6362
P3787
P6382
P4621
P7473
P2755
P4941
P2815
P2575
P2556
P5669
P4169
P4368
P5005
P6827
P4968
GaussianProcessInterpolationRestraint 28
P8205
P6363
P4291
P4462
P2521
P6305
GLN
P6734
P5164
P1461
P7061
P4887
P7872
P4367
P2989
P5314
P3495
ListSingletonContainer417
Atom OE2 of residue 24
P8746
P7380
Atom HD23 of residue 67
P6289
P7599
P7791
Atom HE1 of residue 59
P3670
P1339
P8092
P0
Atom HG3 of residue 11
P5297
P8091
P12623
P2726
Atom HD12 of residue 13
P4190
P9227
Atom HD3 of residue 6
P4301
P6668
P2543
P4560
P4499
P7649
P5090
P5898
P3749
P8017
Atom C of residue 71
Atom HA of residue 17
P3911
P3285
P1502
P3603
P6736
P4307
P1447
P6104
Atom HD21 of residue 60
Atom HE22 of residue 49
P5843
P6363
P2311
P6297
P2091
Atom CA of residue 65
P7633
P1838
P8266
P10584
P3721
P1698
P5525
P6871
Atom HH11 of residue 54
P1539
P6456
P6891
Atom CD of residue 48
P5359
P6657
P4330
P11296
P7567
P4702
P1993
P5744
P1511
P5067
P8407
P5426
P1515
P5358
P6668
P8026
P5151
P5005
P7502
P6328
P7382
P3727
P5707
P5679
P5893
P3147
P4177
P7315
P2631
P6862
P1534
P8206
P7774
P3711
Atom HB2 of residue 52
P2605
P5744
P7306
P5006
P6828
P11873
P2653
P4969
P7160
P3787
P3980
P3882
P1699
P9872
P28
P313
P6735
P5681
P8378
P4492
P7062
P1971
P4888
P1861
P2434
P3788
P6383
Atom HD11 of residue 8
P4622
P7474
P2756
P6290
P2816
P7792
P4803
P2557
P4170
P5307
P4369
P8093
P6485
P1457
P4292
P4463
P9228
P5317
Atom HB2 of residue 24
P8185
P5165
P6698
P4368
P2576
P2990
P3671
P3496
P8018
Atom O of residue 71
Atom HD23 of residue 67
P7600
P1503
P6737
Atom HD3 of residue 74
P4942
Atom HB of residue 17
P12624
Atom HB2 of residue 21
P2727
P1540
P4191
Model 86
P6298
P2092
P4302
P5926
P7381
P2544
P1839
P4561
P4500
P5670
P3750
P10585
P1542
P5526
P3912
Atom HD13 of residue 67
P7873
P1597
P3286
P6457
P3604
P11297
P8747
P4308
P228
P1516
Atom CD2 of residue 43
P5359
Atom C of residue 65
P2522
P4861
P7650
P5006
P6364
P7503
P5680
P5298
P8092
P7316
Atom HE2 of residue 59
P6863
P3722
P6306
P1994
P6105
Atom HB3 of residue 11
P6872
Atom N of residue 68
Atom HD22 of residue 60
P6669
P8027
P6364
Atom HB3 of residue 52
P6892
ScoreState 0
P5091
P6658
P5899
P7307
P4331
P11874
P7568
P4703
P1535
P5068
Atom HH12 of residue 54
P9873
P5318
P3728
P6736
P5428
P5894
P3148
P4178
P6669
P2632
P2435
P7383
Atom C of residue 17
P3712
P7634
Atom HH21 of residue 54
P4804
P2606
P5308
P3672
P5007
P1699
P2654
P4970
P6486
P1972
P1458
P3788
P3981
P3883
P1862
P6829
P5745
P8186
P8408
P4493
P7063
P5844
P3789
P6384
P4623
P2757
ScoreState 28
P2817
P7793
P2558
P4171
P6327
P4370
P8094
P5708
P4943
P4293
P4464
P9229
P5745
P6307
P1512
P5166
P7382
P6699
P7161
P4369
P5360
P2991
P3497
P8019
P500
Atom N of residue 22
P7601
P5152
Atom N of residue 55
P7475
P8748
Atom H of residue 43
P5682
P2728
P7775
P1542
Atom O of residue 65
P6365
P4192
LYS
P2523
P4862
P7651
P5319
P4303
Atom CB of residue 71
P5435
P5299
P8093
P5
Atom HD21 of residue 67
P8379
Atom HH of residue 59
P1840
P4562
P4501
P1504
P5671
P3751
P6738
P4
P6106
P3913
P4889
Atom N of residue 61
P3287
Atom HB3 of residue 49
P1700
P5092
P5900
P2078
P4309
P231
P6291
P1598
P2545
P6893
P5845
P5007
P7504
P10586
P1448
P5527
P12625
P6670
P7874
P2577
P11298
P3723
P1517
P5681
Atom O of residue 17
P6873
P6670
P8028
P3
P7635
P4805
P6955
P8251
P3076
P4332
P11875
P4704
Atom OG1 of residue 7
HIS
P7317
P7776
P1459
P9874
P3729
Atom HG2 of residue 74
P5746
Atom HH11 of residue 42
P8409
P5895
P3149
P4179
P2633
P6365
P6299
P7308
P3713
P5361
P2607
P2655
Atom CA of residue 3
P6700
Atom HG11 of residue 17
P5153
P3789
P3982
P3884
P5746
P6659
P7569
P8187
Chain A
P4494
P7162
P4890
P2436
P0
P3790
P6329
P6385
Atom HG23 of residue 9
P4624
P1700
P2758
P8207
P5360
P6292
P2818
Atom O of residue 50
P2524
P2559
P4172
P4371
P6864
P7476
P1513
P6737
P4944
Atom HH21 of residue 54
P4294
P6458
P4465
P5008
P6308
P7384
P4971
Atom HH12 of residue 42
Atom CG of residue 71
P5167
P8380
P1543
THR
P4370
P5672
P6149
P2992
P3498
P162
P6739
Atom CD of residue 24
P1995
P1449
P5427
P1519
P7383
P7064
P7777
P7602
P0
P6830
P2079
P5709
P6701
P5683
P2729
P6366
P7794
P4193
P2
P4863
P5309
P10587
P6300
P4304
P8095
P5528
P6487
P8094
P1973
P7875
P1701
P4563
P4502
P1505
P2578
P9230
P3752
P11299
P3914
UnaryFunction8
Atom N of residue 53
P3288
P1863
P4806
P6956
P5093
P8252
P5901
P8020
Atom HG11 of residue 17
P314
P4310
P6107
P7318
Atom HA of residue 18
P1871
GaussianProcessInterpolation29
P5846
P3673
Model 312
P12626
P6671
Atom OG of residue 65
P6366
P6865
P7309
P3724
P5065
Atom CG2 of residue 30
P6874
P6459
P7636
Atom HG3 of residue 6
P4333
P4705
P5361
P6660
P7570
P8749
P3730
P5747
P5896
P3150
P4180
Atom HA of residue 18
P2634
P7652
P5008
P7505
P6330
P5320
P2
P5300
P8208
P3714
P1599
GLY
P5362
P4807
P2608
P5310
P2656
Atom HG12 of residue 17
P1996
P6738
P1520
P6488
Atom HH22 of residue 54
P1460
P6671
P8029
P5154
P3790
P3983
P3885
P5747
P5009
P11876
P1701
P4972
P5682
Atom HB3 of residue 43
P4495
P7163
P4891
Atom CB of residue 50
P1864
P3791
P9875
P6386
P6150
P4625
P2759
P7065
P6293
P2819
Atom H of residue 18
P1506
P2560
P4173
P4372
P7477
P5710
P5429
Atom HG12 of residue 17
P5684
Atom CA of residue 68
P1544
P4295
P7795
P4466
P7385
P8096
P5168
Atom CD1 of residue 30
P1974
P4371
P9231
P2993
P3499
P8188
Atom HH21 of residue 42
P8410
P4945
P7603
P4808
Restraint 59
P6740
P8021
P6831
P8750
P4944
Atom CA of residue 11
Atom H of residue 21
P2730
Atom HB2 of residue 18
P4194
P4864
P5673
P6301
Atom HA2 of residue 76
P4305
Atom ND2 of residue 25
P6702
Atom C of residue 4
P5301
P7876
Atom H of residue 65
P7167
P4564
P4503
P3753
P10588
P161
P6309
P5529
P229
P3915
P12627
P3289
P2437
P2581
Atom HD2 of residue 6
P11300
P4311
P8381
Atom N of residue 19
P1514
P7384
P7319
P6368
Atom CA of residue 55
P7653
P5009
P7506
P6866
P3725
P2080
P8095
P6875
P6460
P1853
P7310
P4334
P4706
P5362
P1461
P6672
P8030
P1702
P5094
ListSingletonContainer200
Atom OG of residue 24
P6661
P5902
P3674
P11877
Atom HA3 of residue 76
P7571
P3731
Atom HA of residue 25
P8411
P5897
P3151
Atom HG of residue 43
P4181
P2635
P1600
Atom CA of residue 53
P5847
P6331
P9876
P6151
P5321
P6108
P6672
P3715
P5311
P2657
P5430
P6489
Atom HZ1 of residue 27
P7637
P3791
P3984
P3886
P6957
P8253
P5010
P7386
P4973
Atom HG13 of residue 17
P4945
P6739
Atom CD1 of residue 71
P5683
Atom HG13 of residue 17
P4496
Atom N of residue 55
P2525
P3792
P6387
Atom HG of residue 8
P4626
P1997
P5748
P8189
P2760
P4946
P8382
P7066
Atom C of residue 68
P2820
P7778
Atom HA of residue 34
P6894
P2561
P6367
P4174
P4373
P6832
P4892
P4296
P7796
P5364
P4467
P4865
P2579
P5674
P8097
P5169
P1521
P8204
P7877
P5156
P4372
P5062
P9232
P5748
P2994
P3500
P6310
P5711
P5685
Atom H of residue 30
P7164
P7604
P8022
P2081
P8751
Atom HZ3 of residue 27
P6294
P1975
P2731
P4195
P3
P4306
P7478
P1515
P6703
Atom HD2 of residue 29
P5302
Atom CG of residue 50
P4565
P4504
P3754
Linear1DFunction 24
P8096
P3916
P3290
Atom HB3 of residue 34
P1843
P8254
P1702
P4312
Atom CB of residue 7
Atom C of residue 55
P5095
P5903
P1452
P7385
P12628
Atom CG of residue 29
P6895
P4809
P5848
P5010
P6368
P7507
P6302
P6741
P3726
P315
Atom HH22 of residue 42
P6673
P6876
P1703
P2438
P7654
P4335
P4707
P5431
P6673
P8031
P1545
P7638
P6958
P1507
P2526
P10589
P11878
P3732
P8412
P5530
P5898
P3152
P4182
Atom CD2 of residue 50
P2636
P4
P2580
ListSingletonContainer69
P6332
P9877
P11301
Atom HE1 of residue 4
Atom HB2 of residue 25
P5749
P6109
P7779
P3716
P6867
P2658
Atom CD2 of residue 71
P7320
P4893
P6367
P6461
P3792
P3985
P3887
P4946
P5684
P4497
P5364
P1865
P5063
P3793
P6388
P5749
P6662
P7311
P4627
P2165
P1704
P7572
P8190
Atom CB of residue 75
P2761
P5686
P8383
P7165
P2821
Atom C of residue 53
P4175
P4374
P5829
P7387
P6295
P4297
P4468
P5312
P6152
P7479
P1998
P5170
P4947
P6490
P4
P1462
P4373
P5675
P2995
P3675
P3501
P5011
P6833
P4974
Atom CB of residue 30
P7878
P7605
Atom CD of residue 29
P6740
P7067
P2732
Atom CB of residue 65
P4196
P2439
P2562
Atom HG2 of residue 6
P4307
P7386
Atom N of residue 28
THR
P1601
P7797
P4566
P1508
P3755
P6303
ListSingletonContainer418
P36
Atom HG22 of residue 61
P8098
Atom N of residue 43
P6704
Atom HD3 of residue 29
Atom HA of residue 43
P8097
P3917
P1976
P3291
P1844
P5363
P8255
P9233
P29
P4313
P1453
P5712
P1518
P5155
P1546
Atom HG2 of residue 34
P5904
P3
P8023
P8752
Atom CD1 of residue 75
P12629
Atom H of residue 50
P6896
P4505
P2527
P6369
P5096
P6333
P6742
P3727
P6110
P5303
P4104
P6674
P6877
P1704
P4810
P4866
Model 255
P6868
P4336
P6311
P4708
Atom HG21 of residue 17
Atom HH12 of residue 72
P7780
P6462
P7639
P10590
P3733
P316
P5531
P5899
P3153
P4183
P2637
Restraint 36
P6959
P7655
P6663
P11302
P7573
P5750
P3717
P6369
Atom O of residue 53
P5011
P7508
P3676
P7388
P2659
P7321
P3793
P3986
P3888
P1866
P5313
P6153
P1999
P230
P6491
P4498
P6674
P8032
P5064
P3794
P6389
P5750
P7312
P4628
P5012
P11879
P4975
P2762
P8413
P7166
P2822
P1602
P7798
P5849
P4176
P9878
P4375
P5830
Atom HG23 of residue 61
P1516
P6705
P5687
LYS
P7068
P4298
P4469
P2082
P7480
P277
P5432
P5171
P5685
Atom CA of residue 55
Atom HH22 of residue 54
P4374
Model 43
P2440
P2996
P3502
P6312
Atom N of residue 90
Atom CG of residue 25
P8099
P7606
P5365
P9234
P8191
P5713
P6741
Atom CG1 of residue 30
Atom HG3 of residue 2
P5363
P2733
Model 361
P4197
P4867
P2563
P8024
P4308
P8753
P4947
Atom HB2 of residue 43
P1977
P4567
P4506
P3756
P3677
P6743
P35
P4948
P5304
P3918
P8384
P1463
P5157
P1547
P3292
P4811
Atom HD12 of residue 15
P4314
P7387
P4894
P7781
P1509
P5676
P10591
Atom H of residue 71
P5532
Atom HG22 of residue 17
P6296
P7879
Atom CG of residue 21
P5850
P7656
P11303
P3728
P6834
Atom CD2 of residue 75
P4105
Atom HD3 of residue 27
P6878
Atom CA of residue 26
P6370
P5012
P7509
P72
P4337
P4709
P8098
Model 333
P7322
P1845
P1705
P3734
P1517
P6111
P5900
P3154
P4184
Atom HE2 of residue 11
P6675
P8033
P2638
P6664
P5905
P7313
P11880
P7574
P8414
Atom HE2 of residue 29
P12630
P3718
P6897
P6370
P8256
P9879
P5831
P6304
P2660
P6675
Atom HG3 of residue 34
P3794
P3987
P3889
P1705
P6960
Atom OE1 of residue 7
P2083
P7389
P5433
P5686
P4499
Atom HA of residue 50
Atom OD1 of residue 21
P0
P7640
P5065
P2582
P3795
P6390
P6154
P4629
P5013
P4976
ALA
P2763
P1450
Atom O of residue 23
P4895
P2823
P7799
P4
P5366
P4177
P4376
Atom HA of residue 28
P5751
P8192
GaussianProcessInterpolation7
P6742
Atom HA of residue 71
P6706
P7069
Atom C of residue 55
P5365
P6297
P4299
P4470
P6334
P6869
P6835
Atom HD11 of residue 61
P4948
P5172
P7167
P1603
P6463
Atom CE of residue 29
P4375
ListSingletonContainer75
P2997
P3503
P8025
P6313
Covariance1DFunction 5
P8100
Atom CD1 of residue 45
P4949
Atom NE of residue 42
P8385
P7607
P5158
P2528
P9235
P5751
P1706
P5714
Atom HA of residue 14
Atom HA of residue 43
P7388
Atom O of residue 37
P2734
P4198
P4868
P2580
Atom HB2 of residue 11
P4309
ModelScoringFunction26
P4568
P5314
P3757
P6305
P7481
P6492
Atom HG23 of residue 17
P3919
P5688
P1809
P3293
P4315
P8099
P1846
P5677
P6744
Atom HD13 of residue 15
P6112
Atom C of residue 26
P7880
P0
P5851
P5906
P3729
P2000
P4106
P6879
P6371
P6898
P5013
P6371
P7510
P8257
P6870
P10592
P4338
P4710
P1451
P5533
P6676
P1464
P6464
Atom NZ of residue 29
Atom N of residue 35
P1706
Atom CD2 of residue 67
P6961
P11304
P3735
P5434
P5901
P3155
P4185
P1978
P6676
Atom HB2 of residue 50
P8034
P2639
P7641
P4507
P6335
P11881
P8754
P6493
P12631
P7323
P3719
P9880
P5832
P2661
Atom HB1 of residue 28
P5752
P1518
P6707
P5305
P5366
P1548
P3795
P3988
P3890
P4812
P2441
P5315
P7314
P2084
P5687
P4500
P7168
Atom CG1 of residue 23
P1810
P5067
P3796
P6391
Atom HB3 of residue 6
P4630
Atom N of residue 76
P2764
P4896
P2824
Atom HG21 of residue 23
Atom CA of residue 23
P2583
P7657
P2564
P4178
P5752
P6665
P4377
P7575
P8193
Atom HB2 of residue 43
Atom CB of residue 1
P6298
P1465
P4300
P4471
P6155
Atom HE of residue 42
P4949
Atom HB2 of residue 71
P5173
P1604
Atom HG11 of residue 17
P4376
P5367
P2998
P3504
P7482
P18
P6743
P4950
Atom HE3 of residue 29
P7608
P5159
Atom HD2 of residue 4
P5014
P7390
P4977
Atom HD12 of residue 61
P278
P8415
P2735
P7782
P4199
P4871
P5678
P6745
P4310
P8755
Atom HB of residue 14
P7389
Atom O of residue 76
P7070
P7881
P4569
P58
P3758
P6306
P163
P1707
P2001
P5306
P3920
P5689
P3294
P7800
P10593
P8026
P6314
P8101
P4316
P5534
P8100
Atom O of residue 55
P1847
Atom H of residue 67
P9236
P11305
Atom HE2 of residue 29
Atom O of residue 90
P5715
LEU
P8386
P1605
P0
P2529
P5907
P3678
P3730
P6836
P6113
P4107
P6880
P7324
P6372
P1
P6871
P5833
P4339
Atom CG2 of residue 12
P12632
P6677
P7783
P6465
P7315
P3736
P5902
P3156
P4186
Atom HB2 of residue 11
P2640
Atom H of residue 29
P7642
P6336
CYS
P8416
P6494
Atom HG23 of residue 5
P1979
Atom CG1 of residue 3
P3720
P1549
P5852
P2565
P6666
P7576
P2662
P4711
P5753
P1
P1374
P1466
P3796
P3989
P3891
P5014
P7511
P5316
P6156
P2085
Atom O of residue 42
Atom HD13 of residue 61
Atom HH11 of residue 42
P4501
Atom N of residue 26
P7658
P8258
P3797
P6392
Atom O of residue 34
P4631
P1519
P2765
P6744
P6708
P5367
P2825
P6677
P8035
P4179
P5753
P4378
P5015
P11882
P4978
Atom HD11 of residue 61
GeneralizedGuinierPorodFunction 39
P8387
P7169
P1811
P4301
Atom HG12 of residue 17
P6899
P0
P4472
P6372
P9881
P5174
Atom CG2 of residue 61
Atom N of residue 18
Atom CB of residue 16
P7071
P4377
P5368
P6962
P2442
P2999
P3505
P7483
P5688
P5690
P7609
P5160
GLN
P7801
P1707
ListSingletonContainer47
P6315
P7391
P8102
Atom HD22 of residue 56
Atom H of residue 76
Atom CB of residue 55
P4897
P2736
P4200
P4813
P9237
P3679
P4311
P8756
Atom CB of residue 90
P5716
P6299
P1606
P4570
P2584
P3759
P6746
P8027
P6837
P4950
P5307
P3921
P6373
P3295
P5068
P5679
Atom HB3 of residue 8
P4317
P4951
Atom H of residue 12
P7882
P7784
Atom HB2 of residue 34
P4869
P8259
P10594
P5535
P5436
P11306
P164
P3731
P1599
P4108
P6881
P6900
P2123
P5853
P6373
P6307
P4340
Atom CB of residue 28
P1325
P7390
P7325
P5015
P7512
P6667
P2086
P3737
P5903
P3157
P8101
P4187
Atom CA of residue 23
P2641
Atom C of residue 23
P7316
P1703
P1520
P8417
P6709
P12633
P6
Atom O of residue 7
P6678
Atom CD1 of residue 50
P8036
P3721
P2566
P5908
P11883
P7577
P2663
P4712
Atom HD12 of residue 61
Atom HB3 of residue 43
P1342
P1590
P3797
P3990
P3892
P2530
P4870
P5318
P9882
P6872
Atom HE3 of residue 29
P232
P6114
Atom CG of residue 16
P6678
P4502
P1
P6466
P5369
P6963
P3798
P6393
P4632
P2002
P2766
P5689
Atom CA of residue 18
P5368
VAL
P2826
P5161
GeneralizedGuinierPorodFunction 49
P7643
Atom HA of residue 67
P4180
P6338
Atom CB of residue 34
P4379
P5016
P7392
P4979
P6745
P6495
P8388
P7170
P4898
P4302
P4473
P5754
P5175
P7072
P6300
P1980
P1550
Atom HA of residue 29
P1708
P4378
P3000
P3506
P4951
P7610
P1467
P1812
P7802
P5680
P6838
P8103
P4952
P1346
P7883
P2737
P4201
P9238
ListSingletonContainer134
P5319
P5754
P5834
P4312
P5717
P5691
Atom OG1 of residue 55
P1848
P4571
P6157
P3760
P8028
Atom OG1 of residue 118
P19
P279
Atom HG of residue 43
P3922
P3296
P5069
P4814
P6308
P7484
Atom HH22 of residue 42
P4318
P7171
P8260
P1327
P8102
P7785
Atom CA of residue 18
P2443
P7660
P3732
P8757
Atom CG of residue 75
P5437
P4109
P6882
P6901
P6374
P5909
P4341
P2003
Atom HD23 of residue 56
P1600
P7391
P5308
Atom CA of residue 21
Atom HA2 of residue 76
Atom NE2 of residue 49
Atom HB2 of residue 67
P2531
P2585
P5016
P7513
P6873
P6747
P6316
P3738
Atom H of residue 28
P5904
P3158
P4188
P6679
P2642
P6467
Atom HB2 of residue 6
Linear1DFunction 15
P12634
Atom CB of residue 21
P5369
P6679
P8037
P3722
P7644
P2567
P10595
P5835
P11884
P2664
P4713
Atom N of residue 62
P5536
P6496
P6710
Atom CD of residue 16
P1347
P1468
P1607
Atom CG2 of residue 12
P3798
P3991
P3893
P9883
P11307
P5755
P234
P6115
P4503
P1981
P6374
Atom HB2 of residue 29
P0
P3799
P6394
P6668
P4633
Atom HE1 of residue 1
P2767
P5690
Atom CA of residue 9
P7326
P2827
P6964
Atom N of residue 23
P4181
P4380
P8418
Atom CB of residue 2
P1551
P4303
P4474
P4942
P5854
P5755
P7317
P7578
Atom CA of residue 90
Atom N of residue 43
P5176
P5692
P1849
P4379
P6158
P3001
P3507
P7393
P22
P4952
P7611
Atom C of residue 18
P4815
P5317
P3680
P6317
Atom HZ1 of residue 29
P7485
P0
P4953
P2738
PRO
P4202
P5681
P31
P5017
P4313
P4980
Atom HA3 of residue 76
P7884
P4572
P6337
P3761
P2087
P8758
GLN
P6746
P3923
P7073
P3297
P4319
Atom HD11 of residue 43
P7392
P5309
P1348
P8389
P7803
Atom H of residue 49
P1709
P5370
P5855
P6839
P8104
P8103
P6680
P4899
P5162
Atom HG3 of residue 41
P1679
P9239
ListSingletonContainer419
P3733
P5718
Atom C of residue 21
P4110
P6883
Atom CG2 of residue 55
Atom OD1 of residue 21
P6301
P6375
P2444
P5910
P4342
P8029
P7172
Atom C of residue 38
P2586
P6748
P3739
P6116
P5905
Atom N of residue 29
P3159
P4189
P2643
Atom HB3 of residue 67
P2004
P8201
P1823
P3723
P1608
P7645
P10596
P5836
P2665
P4714
P8419
Atom N of residue 57
P1601
P5537
P6497
P7786
P3799
P6902
P3992
P3894
P7659
P6375
P8261
P6669
P3681
P6309
P11308
P2088
P7579
P5756
P4504
GeneralizedGuinierPorodFunction 67
P2532
P5017
P7514
P3800
P6395
P4634
P7394
P2768
P5438
Atom O of residue 21
P7327
P2828
P4816
P4182
P4381
Atom HZ2 of residue 29
Atom C of residue 90
Atom HD13 of residue 61
P12635
P1982
P4900
P6680
P8038
P4304
P4475
Atom HE21 of residue 41
P5756
P7318
P5018
P11885
P4981
P5177
P6302
P1591
Atom H of residue 12
P1850
P4380
P5371
P6965
P9884
P6874
P3002
P3508
LEU
P6711
P5693
P7074
P7612
P5163
P6468
LYS
P6159
P7486
P5691
P8390
P2739
P7804
P4203
P2445
P6339
P4314
P8105
P5370
P5066
P4573
P1680
P9240
P3762
P6318
Atom HG21 of residue 5
P5719
P6747
LYS
P3924
Atom H of residue 55
P1552
P3298
P1710
P4941
P5829
P6310
P8030
Atom CA of residue 62
P4320
Atom HG21 of residue 44
P4953
P8202
P1813
P6376
P5856
P6749
P6840
Atom CA of residue 57
P4954
Atom CB of residue 3
Atom HB3 of residue 18
P6376
P3734
P7393
P4111
THR
P6884
Atom HB3 of residue 29
P5682
ListSingletonContainer145
P10597
P4343
P5538
Atom C of residue 18
P7173
P7885
Atom CG1 of residue 13
P6903
P8262
P6875
P11309
P3740
Atom CD1 of residue 58
P5906
P3160
P4190
Atom O of residue 38
P2644
P6469
P2533
P5018
P7515
P1602
P5439
P8104
P7328
P3724
P1553
P3682
P2666
P4715
P8759
Atom N of residue 62
P233
Atom HD12 of residue 43
P6498
P6117
P2
P6681
P7787
P6681
P8039
P3800
P3993
P3895
P6670
P5911
P7319
P4
P11886
P7580
P2005
P280
P5310
P4505
P6966
P3801
P9885
P6396
P4635
P2769
P5371
P2829
Atom HD12 of residue 67
P2587
P4183
P4382
P2090
P7395
Atom HH12 of residue 42
P5692
P12636
P4901
P1592
P4305
P7805
P7646
P4476
P7661
P6340
P5837
P5019
P4982
Atom CA of residue 59
Atom HG22 of residue 44
P5178
P6303
P4381
P4944
P5372
Atom HE22 of residue 41
P3003
P3509
P5757
P6748
P6712
P7075
P1983
P7613
P5164
P4817
ListSingletonContainer146
P4954
P5097
P2740
Atom HA of residue 49
P4204
P6841
P4315
P20
P8106
P8420
P4955
Atom H of residue 74
P4574
P4939
P9241
P5757
P6160
P3763
P8760
P5720
P7394
P3925
Atom HZ3 of residue 11
P1814
P3299
Atom HG2 of residue 29
P1851
P5830
P6311
P8031
P1326
P4321
Atom C of residue 57
P8203
Multivariate Normal distribution 28
Atom O of residue 18
Atom CA of residue 29
P5311
Atom HA of residue 55
P1681
P7487
Atom CD2 of residue 108
P5694
P6377
Atom HA of residue 6
P3735
P5440
P8105
P4112
P8391
P6682
P6885
Atom CG2 of residue 13
P5683
Covariance1DFunction 3
P4344
P6750
Atom HD13 of residue 43
P6499
P6118
P7886
P7788
Atom HB2 of residue 49
P5912
P6876
Atom N of residue 79
P3741
P8424
P5907
P3161
P4191
P4506
P7174
P2645
P6377
P6470
P5
P5019
P7516
P10598
Atom N of residue 40
P6320
Atom C of residue 59
P5539
P3725
Atom C of residue 28
Atom HD13 of residue 67
P43
P11310
Atom CG2 of residue 9
P2667
P4716
P2006
Atom CB of residue 18
P6682
Atom HB2 of residue 38
P8040
P1554
P7647
P3801
Atom HA of residue 74
P3994
P3896
P5857
P7662
P5838
P11887
P12637
P7329
P3802
P9886
P6397
P4636
Atom C of residue 31
P5758
Atom HH21 of residue 42
P2770
P6713
P6683
P5372
P2830
Atom O of residue 9
P1711
P4818
P8263
P4184
P4383
P7320
P5098
P5693
P4306
P4477
P2534
P6341
P3683
P5179
P8392
P7175
P1984
P6904
P4382
P5758
P6671
P6161
P3004
P3510
P7581
Atom O of residue 59
Atom HG23 of residue 44
Atom CB of residue 68
P7614
P1852
P4945
P2588
P5831
Restraint 71
P4955
P2741
P4205
P2446
P4316
P7488
Atom NE1 of residue 108
P8205
P6749
P4956
Atom HB2 of residue 28
P4902
P4575
P4940
P3764
P5020
P7396
P4983
P8761
Atom C of residue 62
P1603
P3926
P6304
P3300
P7806
P5374
P6967
P5859
P5684
P8265
P6751
P4322
P7395
P5312
P7076
P7887
P5166
Atom CA of residue 79
P5695
Atom N of residue 42
P10599
P166
P3736
Atom HG13 of residue 3
P8107
P5540
P8106
P4113
P6886
Atom O of residue 28
P1682
P9242
Atom HB2 of residue 8
P4345
P11311
P6842
P5721
Atom HB3 of residue 38
P6378
P6905
P1712
P7663
P6378
P5913
P4
P6312
P8032
P3742
P6119
P5908
P3162
P4192
P4507
VAL
P7330
P2646
Atom HB3 of residue 49
Atom CD of residue 2
Atom CG of residue 18
P7789
P3726
P7321
Atom CA of residue 40
P2668
P4717
Atom O of residue 57
Atom HB of residue 55
P7648
P3802
P3995
P3897
Atom O of residue 31
P1604
P5441
P1593
Atom HB2 of residue 74
P3803
P6398
P6672
P6877
P4637
P6319
Atom H of residue 66
P7582
P5759
P2771
Atom C of residue 11
P6684
Atom CG of residue 68
P2831
P6471
P4946
P4874
P5020
P7517
P8267
P4185
P4384
P281
P1318
P8206
P5099
P12638
P1555
P4307
P7807
P4478
P2447
P7664
P6342
P6750
P5180
P6714
MD 20
P8393
P7176
P4903
P6683
P8041
P4383
P5759
P3005
P3684
P3511
P5021
P11888
P4984
Atom O of residue 62
P6500
Atom OE1 of residue 18
P6305
P7615
Atom HG3 of residue 29
P1854
P6968
P5832
P9887
P7077
P5374
P2742
P1815
P4206
P2589
JeffreysRestraint_P0
P6843
P4317
P7489
P5694
ILE
P8494
P4576
P3765
P5839
P7397
P8108
P2007
Atom HB3 of residue 28
P3927
Atom N of residue 7
P3301
P2535
P9243
ASP
P4323
P5722
P4819
P6379
P33
P6313
P6752
P8033
Atom HA of residue 66
P4956
P5696
P1683
P5685
P3737
P4957
P4114
P6887
P7888
P7790
P1594
P6162
P10600
P4346
P8762
P21
Atom CB of residue 57
P5541
P235
Atom HG1 of residue 55
Atom CA of residue 17
P1985
P6906
P11312
P3743
P5442
P5909
P3163
P5313
P4193
P4508
P1312
P2647
Atom HG of residue 67
P5373
P6878
P165
P1719
Atom CB of residue 24
P7396
Atom O of residue 11
P7
P6685
P7331
P3727
P5165
P6472
P4875
P5021
P7518
P11889
P2089
P2669
P4718
Atom CE2 of residue 108
P8425
P6501
P8107
VAL
P3803
P3996
P3898
GeneralizedGuinierPorodFunction 1
P7665
P6343
P5840
P7322
Atom HD13 of residue 44
P6715
P7177
Atom ND1 of residue 68
P1816
P6684
P8042
P1713
ARG
P44
P3804
P6399
P6673
P5914
P4638
P7583
Atom CA of residue 8
Atom HG1 of residue 12
P2772
P2
P2832
P1556
Atom CA of residue 13
P6379
Atom HD2 of residue 29
P4820
P2448
P4186
P5833
P9888
P4385
P5100
P6120
P12639
P0
P4308
P4479
P5760
P5181
P5695
Atom HG2 of residue 49
P7649
P8495
P4384
P4947
P5860
P3006
P3512
P5022
P6321
P7398
P4985
P6751
P1605
Atom CD of residue 24
P7616
P8426
P7078
P2743
P4207
P6969
P5760
Atom C of residue 79
P4318
P2008
P4957
Atom HB3 of residue 74
P1855
P4577
P5686
Atom H of residue 6
P3766
Atom C of residue 40
P8109
P4958
P3928
P6888
P7889
P3302
ALA
P9244
P6163
P3685
P1720
P8763
P4324
P5723
THR
Atom CD of residue 38
P8034
P5314
P8394
P1715
P3738
P2093
Atom HB of residue 66
P7490
Atom CB of residue 31
GaussianProcessInterpolation14
P4115
P5373
P4904
P4837
P4876
P4347
P8108
Atom CA of residue 17
P6306
P7791
P6380
P5375
P2449
P3744
Atom N of residue 45
P5910
P3164
P4194
P5697
P4509
Atom HG21 of residue 55
P2648
P5167
P7808
P2536
P5915
Atom CZ2 of residue 108
Atom CG of residue 61
P5443
P7397
P1986
P3728
Atom HD11 of residue 67
P5022
P7519
Atom O of residue 79
P6753
P11890
P2670
P4719
GLN
P5101
P6502
P1345
Atom HG3 of residue 18
P3804
P3997
P3899
P6380
P5841
Atom O of residue 40
P5761
P1
P6686
P6685
P8043
Atom C of residue 13
Atom HG3 of residue 49
P7650
P6907
P3805
P6400
P10601
P6314
P4639
P6844
P6322
P2773
P5542
P6716
Atom CD of residue 18
P2833
P1856
P2590
P4187
P9889
P4386
P11313
Covariance1DFunction 60
Atom HG21 of residue 12
P6121
P7178
Atom CD2 of residue 68
P4309
P4480
P7666
P5761
P5182
P5696
P7332
P4905
Atom HG2 of residue 74
P4385
P5861
P8300
P3007
P3513
P1606
P6307
P7617
P1684
P6674
P6879
P7323
P7584
Atom CG of residue 31
P8207
Atom OE1 of residue 24
P2744
P6473
P4208
Atom HG21 of residue 9
P7399
P4319
P4958
P12640
P8395
Atom CA of residue 3
P4578
P3767
P2094
P7491
P8427
P4959
P3929
Atom HA3 of residue 10
P6889
Atom HA of residue 38
P1595
P3303
P4948
P4838
P6970
Atom HG of residue 8
P5687
P4
P6344
P5023
P4986
P4325
SER
P1346
P7890
Atom CA of residue 28
P7809
P1716
P5376
P6164
P6315
Atom O of residue 5
P6752
P5698
P7079
P5375
P5168
P3739
Atom HG21 of residue 66
P282
P7398
P4116
Atom C of residue 17
P8496
P4348
P8110
Atom CG of residue 1
P8109
Atom HA of residue 34
P6381
P2591
P6381
P9245
P5834
P6845
P3745
Atom CD of residue 61
P5724
P6503
P5911
P3165
P4195
Covariance1DFunction 91
P6687
P4510
P2649
P6908
P3180
P5916
P6880
ListSingletonContainer420
P8035
P6323
P2009
P3729
P6474
Atom HD3 of residue 29
P1857
P4877
P3686
P6754
P2671
P4720
P6122
Atom OE2 of residue 18
P7179
Atom CE1 of residue 68
P3998
P3900
P7667
Atom CB of residue 79
P8764
Atom CA of residue 62
P7651
P2537
P3806
P6401
P10602
P4640
Atom CB of residue 40
P2774
P5543
P5315
Atom OE2 of residue 18
P2834
P7792
P1817
P4821
P4188
P6675
P4387
P11314
P7585
P5762
GaussianProcessInterpolationRestraint 20
Model 313
P8208
Atom O of residue 13
P4310
P3805
P4481
P5023
P7520
P6345
Atom HG22 of residue 9
P7400
P1607
P5444
P5183
Atom C of residue 24
Atom HG22 of residue 55
P7333
P4906
P4386
P1685
P8301
P3008
P5842
P3514
P2095
Atom CD of residue 31
Atom HD11 of residue 44
Atom N of residue 11
P6308
P7618
P6686
P8044
P1596
P4949
P6971
P5835
P5762
P7324
P5024
P11891
P4987
Atom HB of residue 13
Atom CE2 of residue 45
P2745
P1353
P7810
P4209
P1717
P2450
P9890
P4320
P272
P6717
P12641
P7080
P5376
P1987
P4579
ListSingletonContainer149
P3768
SingletonScore 18
Atom HG22 of residue 66
P7492
P5697
P3930
P6890
P3304
P8498
P8765
Atom CZ3 of residue 108
P8111
P4326
P5377
P2592
P9246
P6316
P6846
P1721
Atom H of residue 6
P5725
P8421
P6753
P5102
P5316
P5699
P5169
P3740
P8036
P2010
P4959
Atom HG13 of residue 17
P4117
Atom HE2 of residue 29
P2538
P4878
P6165
P4349
P6755
P4960
P8396
P3
P1818
Atom CG of residue 62
P1354
P6382
P3746
P7399
P5912
P3166
P4196
Atom HZ2 of residue 6
P4511
Atom HG2 of residue 34
P2650
Atom CG of residue 27
P3181
P5688
P6881
P10603
P3687
P5544
Atom NE of residue 42
P6688
P7891
P3730
P6475
P1332
P1858
Covariance1DFunction 50
P11315
P2672
P4721
Atom CB of residue 13
P3999
P3901
P5024
P7521
P2
P8110
P7180
Atom HG23 of residue 55
P7334
P6383
P4822
P3807
P6402
P5843
P4641
Atom CH2 of residue 108
P2775
P6123
Atom HG21 of residue 17
Atom HG22 of residue 9
P2835
P7793
P6687
P8045
Atom HD13 of residue 3
ListSingletonContainer46
P4189
P6676
P4388
P5917
P7325
P11892
P7586
Atom HG3 of residue 2
P5103
P4311
GaussianProcessInterpolation12
P3806
P4482
P5858
P6346
P9891
P8524
P6324
P5445
P5184
P5317
P1597
P4387
Atom NZ of residue 6
P3009
P3515
P1722
P7401
Atom HG23 of residue 66
Atom OG1 of residue 12
Atom O of residue 24
P5698
P12642
P8397
P7619
P7652
P8499
P6909
P4950
P8264
P5836
P5025
GLN
P4988
Atom NE of residue 61
Atom HD12 of residue 44
P1988
P2746
P1355
Atom CB of residue 42
P4210
PRO
P4321
P8766
P5763
Atom HG12 of residue 13
P6754
P6718
P7081
P5377
Atom CD of residue 62
P7811
Atom CG of residue 18
P4580
P7668
P9247
P3769
P4960
P8204
P3931
P6891
P4907
P3305
Atom CE of residue 27
P6166
P3688
P8112
P4327
Model 104
P4961
P6309
P5378
P1686
P5763
P2096
P5726
P8422
P7400
Atom HZ3 of residue 6
P5170
ListSingletonContainer58
P3741
P8037
P6847
P6680
P4118
P2451
P4350
P7493
P1608
P5411
Atom NE2 of residue 68
P6972
P6383
P3747
P2011
P283
P5913
P3167
Atom C of residue 6
P8111
P4197
P4512
P2651
Atom CD of residue 18
P6910
P3182
P4823
Atom O of residue 3
P5339
P2593
P5689
P6317
P6756
P6325
P6124
Atom HD13 of residue 36
P5700
P7892
P7794
P3731
Atom HD3 of residue 74
P1714
P5918
P2673
P4722
P23
Atom HG21 of residue 14
P0
P1356
P4000
P3902
P5025
P7522
P8525
P10604
P1485
P5545
P5446
P2124
P3808
P6403
Atom HA of residue 8
P4642
Atom CB of residue 13
P2776
Atom N of residue 56
P2836
P6688
P8046
P7653
P2539
P4190
P4389
P6882
GaussianProcessInterpolation44
Atom CB of residue 57
P11893
Atom CB of residue 48
Atom N of residue 109
Atom CZ of residue 61
P5104
Atom HG22 of residue 17
P7335
P4312
P6476
P3807
P4483
P4879
P54
P9892
P11316
P5764
P5185
P6719
P6689
Restraint 150
P4388
P7669
P3010
P7326
P3516
P5699
Atom HH21 of residue 72
P8398
P4908
P7620
Atom HE of residue 74
P6504
Restraint 122
P7181
Atom HG3 of residue 34
P6310
P2747
P6382
P4211
P5379
P5764
P6677
P4322
P7587
Atom C of residue 8
P12643
Atom HA of residue 68
P5378
P5171
P4581
P6348
P3770
Atom CA of residue 94
P4961
P4508
P3932
P6892
Atom OE1 of residue 62
P3306
P8500
P1687
P5844
P6318
Atom CG of residue 48
P7494
P4328
P6755
P4962
P1819
Atom NZ of residue 27
P4951
P6973
P6384
P56
P5837
P5026
P7402
P4989
P5318
Atom CG1 of residue 13
Atom HE3 of residue 29
P5340
P6757
P3742
P8767
Atom CA of residue 46
P1609
P7401
P4119
P5701
Atom N of residue 9
P7082
P7893
P1598
P4880
P0
P9248
P4351
P26
P7812
P10605
Atom H of residue 57
P3748
P8113
P5546
Atom CG2 of residue 22
P5914
P3168
P8112
P4198
P4513
P2652
P6911
P3183
P5690
GaussianProcessInterpolation34
P167
P2097
P6326
P5727
P6505
P3732
P1357
P5919
P6883
P8038
Atom HG1 of residue 66
P2674
P4723
P2012
P4104
P273
P6125
P7336
P6477
P1
P4001
P3903
P6167
P6848
Atom HG22 of residue 14
P5319
Atom N of residue 35
P7795
Atom CG2 of residue 13
CHARMMStereochemistryRestraint7
P2452
P7670
P3809
P6404
P5845
P7327
P4643
P1723
P1486
P2777
P2837
P7654
P1872
P4191
P4390
Atom C of residue 94
P5447
P4313
P3808
P4484
P4824
P6678
P3689
P7588
P5765
P1533
P5186
P6690
P5379
P1820
P4389
P2594
P5026
P7523
P3011
P3517
P7621
P1358
P6384
P8501
Restraint 60
P8526
P11317
P6756
P6720
P7182
P2748
P6689
P8047
P4212
P4952
P5838
P5765
P5027
P11894
P4323
P4990
Atom CE3 of residue 108
P5105
P12644
Atom HZ1 of residue 29
P4582
P2540
P9893
P3771
Atom CD of residue 48
P4509
Atom HZ3 of residue 63
Atom CG of residue 4
P3933
Atom HZ1 of residue 6
P7083
P6893
LEU
Atom HB2 of residue 68
P3307
Atom HG3 of residue 74
Atom C of residue 14
MolecularDynamicsMover1
P6319
P7495
P4329
P5728
P5700
P7403
P8768
P8114
Atom C of residue 46
P5320
Atom NE2 of residue 62
P1599
P6974
P5341
P9249
P3743
P4120
P5702
P8399
P4881
P2453
P4352
P6758
P8039
P4962
P6506
Atom N of residue 37
P4909
P7813
P6347
P6168
P3749
Atom HB3 of residue 50
P4963
P5915
P3169
P4199
P4514
P6311
P7894
P7796
P2653
Atom O of residue 27
P3184
P8527
P10606
P1724
P5547
Atom H of residue 22
P3733
P1359
P5380
P1
P2804
P4724
P4105
P5448
P5172
P4002
P3904
P4825
P1688
P6849
P2013
P7402
P6691
P7337
P5027
P5691
P7524
P3810
P6405
Atom CE of residue 6
Atom O of residue 94
P5846
P4644
P168
P2778
Atom CE of residue 1
P8113
GLY
P2838
Atom CD1 of residue 13
P6385
P6912
P2595
P4192
P4391
P7328
P11318
P2098
P6328
Atom O of residue 9
P6721
P7183
P6690
P8048
P4314
P3809
P4485
P6679
P5920
P11895
P7589
P5106
P5187
Model 120
P5321
P4390
P7671
P6385
P9894
P3012
P3518
P7404
P4510
P1610
P6126
Atom N of residue 64
Atom CA of residue 56
P4910
P7622
P3059
P284
P5701
P6312
P2749
P7655
P4213
P4953
P6884
P5028
P4324
P4991
P6757
Atom H of residue 62
P6478
P1882
P4583
P3772
P5766
P3934
P8400
P7084
P6894
P1821
P1360
P3308
P3690
Atom N of residue 73
P4330
P1487
P4963
P5729
PRO
P1600
P7814
Atom HD2 of residue 74
Atom O of residue 14
P5381
P2454
P8115
Atom HG of residue 50
P4964
Atom HB3 of residue 68
P7895
P5173
P5342
P9250
P5766
P6320
P3744
Atom N of residue 62
P4121
P12645
P6349
P4353
P8040
Atom HA of residue 57
P5380
Model 179
P6975
P2541
P1689
P6386
P6850
P1725
P7496
P3750
Atom CB of residue 9
P5916
P3170
P4200
Atom HD3 of residue 11
P4515
P2654
Atom N of residue 14
P1874
P3185
P5692
P5839
P8528
P6169
Atom CE of residue 48
P24
Atom HA of residue 1
Atom CG2 of residue 70
P8114
P7797
P3734
P8497
P6913
P6885
P3692
UnaryFunction34
P4725
P4106
P5703
P6479
P4003
P3905
P4882
P5921
P5449
P7403
P6507
P7672
P5028
P7525
P3811
P6406
P1
P4645
P6759
P8769
P2779
P4511
P5107
P2839
P6386
Atom HZ2 of residue 29
P4193
Atom CD of residue 11
P4392
P11319
P5829
P6692
P6691
P8049
P4315
P7656
P3810
P4486
P4826
P8304
P10607
Atom N of residue 95
P11896
P1488
P1612
P5548
P5188
P6722
Atom C of residue 56
Atom HB2 of residue 34
P4391
Atom HG22 of residue 17
P2596
P1609
P9895
P3013
P3519
Atom HB2 of residue 57
P5767
Atom CB of residue 46
P1824
P4911
P7623
P5847
Atom CA of residue 45
P5702
Atom CA of residue 37
P7338
P6313
P2750
P4214
P5840
P4325
P6127
P7184
P0
Atom HD1 of residue 68
P5381
P1361
P4584
P5343
P5767
P6680
P3773
P6321
P7329
P6327
GLN
P7590
P2805
Atom C of residue 10
P3935
P6895
Atom H of residue 13
P3309
P6350
P2014
P4331
P4964
P5382
P6976
P2542
P7497
P8770
P4965
P1822
P5174
P1875
P4954
P3745
P5029
Atom NZ of residue 48
P4992
Atom H of residue 70
Atom C of residue 9
P7404
P4122
P12646
P7896
P4354
Atom CA of residue 35
P6758
P5704
P7085
Atom N of residue 30
P4883
P1690
P6387
P3751
P1775
P5917
P3171
P4201
P8401
P4516
P2655
P1362
P7815
P3186
P5693
P8305
ListSingletonContainer141
P3691
P8116
P8115
P3735
Atom HA of residue 13
P1601
THR
P8405
P9251
P6886
P11320
P6851
P4726
P5730
P4107
P6508
P1825
P6693
P6480
P4004
P3906
P4827
P5922
P6170
ALA
P8041
P7405
Atom C of residue 45
P3812
P6407
P4646
GaussianProcessInterpolationRestraint 12
ListSingletonContainer421
P6760
Atom H of residue 46
P2780
P5108
GLU
P2840
P6387
P2455
P4194
P4393
P5848
P1726
P5830
Atom HE3 of residue 6
P1827
P4316
P7657
P3811
P4487
P1610
Atom H of residue 8
P10608
P5549
P5189
P6128
P8402
P7798
P1363
Atom OE1 of residue 16
P4392
P8529
P6681
P3014
P3520
P7591
P5768
Atom HB3 of residue 34
P7624
P6693
Atom HG23 of residue 17
P5029
P7526
Atom HB3 of residue 57
P1489
P5450
P7339
P2751
P6914
P4215
P5841
P9896
GaussianProcessInterpolationRestraint 2
P6329
P4326
Atom HD11 of residue 50
P5382
P8050
P8406
P4955
P4585
P5768
P3774
P7330
P5030
P11897
P7498
P4993
P2015
P285
P4512
P3936
P6896
P3310
P7673
P6351
P4332
P6723
P12647
P7185
P7086
P4912
Model 215
UnaryFunction22
P8771
Atom O of residue 1
P5703
P0
Atom O of residue 56
P6314
Atom HB3 of residue 62
P1364
P2597
P13
P3746
Atom C of residue 35
P8117
P4123
Atom HE1 of residue 45
P6694
GLY
P9252
P4355
P6852
P5731
P6759
P1776
P1835
P5705
P6171
P8042
P3752
P4965
P2
Atom HD13 of residue 50
P1613
P5918
P3172
P4202
P4517
Atom HA of residue 33
P2656
P1603
ILE
P5384
P3187
P8306
P6322
P6761
P2806
P4966
Atom CA of residue 64
Atom HE3 of residue 1
P3736
P5176
P6388
P6915
Atom HD13 of residue 13
P4727
Atom O of residue 45
P4108
P1
P5831
Atom HB of residue 13
P7816
P4005
P3907
P4828
P10609
P11321
P7406
Atom CA of residue 62
Atom HA of residue 46
P5109
P5550
P275
P8403
P6694
P7897
P1365
P6977
P1691
P6388
P3813
P6408
P8530
P4647
P1727
P2781
P2841
P6695
P1876
P5344
P5030
P5694
P7527
P4195
Atom N of residue 10
P4394
P8116
P7340
P4317
P3812
P4488
P9897
P6887
P6330
P25
P5190
Atom CA of residue 24
P6129
Atom HE2 of residue 45
Atom H of residue 68
Atom HB3 of residue 33
P7799
P8051
P6481
P4393
P4884
P6682
P5924
P3015
P7331
P3521
P11898
P7592
P4513
P7625
P7658
Atom OE2 of residue 16
P2543
P7674
Atom HA of residue 70
P5451
P7186
P4913
P2752
P4216
P2456
Atom CG of residue 6
P4327
P5704
P7405
P6509
Atom CB of residue 56
P6315
Atom HG2 of residue 62
Model 197
P8407
P4956
P4586
P3775
P5031
Atom CG2 of residue 61
P4994
P1490
P3937
P6897
P6696
P3311
Atom CA of residue 10
P87
P6352
P5769
P4333
P6760
P6724
P7087
P2598
P5849
P4966
P1614
P1828
P1628
P5345
P5842
P6323
P3747
P2807
P8118
P4967
P1826
P4124
P12648
P5384
Atom HZ2 of residue 33
Model 220
P9253
P5769
P4356
Atom OG of residue 57
P7499
P5732
Atom HD21 of residue 50
Atom OD1 of residue 21
P0
Atom C of residue 7
P7817
P4885
P1611
P8043
P6853
P3753
P2016
P5919
Atom C of residue 64
P3173
P4203
P4518
Model 157
P2657
P3188
P6978
P1692
P6389
P3693
P8772
Atom HB of residue 70
P6697
P3737
P6916
P5695
Atom C of residue 62
P4728
P4109
P6510
P5832
P8117
P1366
Atom CA of residue 30
P4006
P3908
P4829
Atom C of residue 36
P2544
P6888
P6762
Multivariate Normal distribution 12
P1728
Atom C of residue 24
P6130
P5706
P7898
P7800
P6482
P35
P3814
P6409
P4648
Atom HG1 of residue 22
P2782
P2842
Atom HG12 of residue 13
P7659
P7675
P5031
P7528
P8308
P4196
P4395
P10610
P5850
Restraint 13
P5551
P5452
Atom OD2 of residue 21
P1604
P4318
P3813
P5383
P4489
P1738
Atom CD of residue 6
P6331
P5191
P8052
P5175
P4394
P5925
P6172
P3016
P3522
P11899
Atom O of residue 46
P4514
Atom HZ of residue 45
Atom HG2 of residue 33
P7626
P1629
P6353
P9898
Atom CB of residue 94
P11322
Atom H of residue 35
P5770
Atom N of residue 45
P1777
P6725
P1827
P8404
P6695
P7187
P2753
P1367
P4217
P8531
P7332
P4328
P1491
P5110
P5705
P7406
Atom HG2 of residue 33
P7341
P1829
P6389
P4587
P5843
P1612
P3776
P7407
P3938
P6898
Atom CG of residue 56
P3312
P1877
P2
P5770
P6683
Multivariate Normal distribution 2
P7593
P4334
P1615
P4967
P2545
P5346
P34
P6324
P3748
P2808
P7500
P8773
P6761
P4968
P4125
P12649
P4957
Atom HG1 of residue 9
P4357
P5032
Atom O of residue 62
P4995
P2017
P5833
P1368
P7818
Atom N of residue 34
P4830
P4886
P2457
Atom N of residue 21
P6763
P3754
Atom O of residue 24
P5920
P3174
P4204
P5707
Atom CA of residue 12
P4519
P7088
P4914
P7899
Atom HA of residue 62
P2658
P8408
Atom CB of residue 66
P3189
P7408
P6316
P3738
Atom HG13 of residue 13
Atom C of residue 30
P1878
P6979
Atom CB of residue 36
P5696
P8532
P10611
P4729
Atom HG11 of residue 70
P8119
P4110
P5552
P6511
Atom O of residue 64
P8118
P1605
P4007
P3909
P9254
Atom HG22 of residue 22
P286
Atom HA of residue 69
P5733
P1778
P8405
P5383
P6917
P3815
P6410
P5926
P6173
P4649
P170
P8044
P2783
P6131
Atom H of residue 21
P2843
P6390
P5385
P1739
P4197
P4396
P5851
Atom HB3 of residue 69
Atom HA2 of residue 35
Atom HD22 of residue 50
P7188
P7801
P5177
P4319
P3814
P4490
P2599
P7333
P6332
P5771
P5111
P5192
Atom HG3 of residue 33
P7660
P4395
ListSingletonContainer49
P3017
P3523
P4515
P5453
P7627
P6698
P7676
P6390
P6684
P11323
P7594
P6696
P4915
P2754
P1830
Atom OG1 of residue 66
P4218
P5032
P1693
P7529
P5771
Atom SG of residue 94
P7409
P4329
P5926
P6317
P1369
Model 21
P1630
P4588
P8307
P6889
P3777
P3694
P1729
P6762
P6726
P3939
P6899
P8053
P3313
P6483
P4958
P5033
P11900
P4996
Atom N of residue 9
P4335
P1321
P7342
P7819
P2458
P9899
Atom CG of residue 62
P1611
Atom CB of residue 64
P7089
P8409
P6325
P3749
P2809
P7501
P5706
P4126
Atom N of residue 46
Atom HG3 of residue 33
P1883
Model 44
P1613
P4358
P8120
Atom CD1 of residue 56
Atom HB2 of residue 62
P9255
P88
P3755
Atom HB2 of residue 69
P5734
P5921
P3175
P4205
P4520
P2659
P3190
P6391
P6354
ARG
P6764
P8045
P2099
P4968
P7407
P3739
P5386
P5347
P1695
P5844
P8533
Atom HG of residue 69
P4730
P1492
P4111
GLU
P4969
P12650
P5385
P7900
P7802
P5178
P1606
P4008
P3910
P6890
P10612
P6333
P5553
P8406
P6484
P6918
P6980
P4887
P2600
P3816
P6411
Atom CB of residue 6
P4650
Atom HA3 of residue 35
P2784
P4516
P5454
P2844
P6391
P7677
P4198
P4397
P6174
P3695
P11324
P8774
P1779
P5708
P6697
P4320
P3815
P1881
P4491
P5033
P5697
P7530
P2018
P5112
P5193
P6512
P239
Atom O of residue 112
P8119
P7189
P4396
P3018
Atom CA of residue 55
P7334
P3524
P169
Atom CD of residue 62
P7408
P6727
Atom O of residue 37
P7628
P1852
P6699
P8054
Atom CG2 of residue 66
GLU
Atom CG1 of residue 36
P2459
P6685
P11901
P7595
Atom HG12 of residue 70
P7343
P4916
P2755
P4219
P8309
P9900
P5927
P5852
P1730
P4330
P6132
P1828
P5834
Atom HZ3 of residue 29
P1631
P4589
P4831
P5845
ListSingletonContainer70
P3778
P6326
P5772
P5707
P3940
ALA
P6900
Atom HD2 of residue 33
P3314
P7661
P4959
P6355
P5034
P4997
P4336
Atom HD23 of residue 50
P6763
Atom CD2 of residue 56
P6318
P7
P7090
P7820
P1740
P5772
P3750
P2810
P8775
P4969
P4127
P5348
P4359
P8121
P4970
Atom CB of residue 112
P5386
P7901
P1370
P9256
P3756
P5735
P7409
P5922
P3176
P4206
Atom HE2 of residue 6
P4521
P2660
P3191
P6981
P4888
P6392
P1614
P8046
P1493
P4517
Atom O of residue 47
P3740
P5387
P7502
P4731
Atom O of residue 35
P4112
P5835
P12651
P5179
P8410
P4009
P3911
Atom CA of residue 34
P4832
Atom CG2 of residue 36
P5698
P2019
P6513
Atom CA of residue 71
P8120
Atom HB2 of residue 33
P7803
P6700
P6485
P3817
P6412
P4651
Atom HA of residue 22
P37
P2785
P5911
P1829
P2845
P4199
ListSingletonContainer81
P4398
P6891
P287
P5455
P4321
P3816
P4492
P5034
P7531
P8310
P5928
Atom C of residue 55
P5853
P6765
P7410
P5113
P1904
P5194
P1602
P4397
P6175
P3019
P3525
P11325
P5773
P1780
P6698
P7629
P8055
P7662
P8534
P10613
P11902
Atom OE1 of residue 62
P5554
P6728
P5709
P7344
P2756
P1853
P6393
Atom N of residue 9
P4220
P9901
P4331
Atom HG13 of residue 70
P6133
P6701
Atom HG1 of residue 12
P6919
P4590
P5846
P5773
P6687
P3779
P3696
P7596
SingletonScore 22
P3941
Atom HA2 of residue 10
P6901
P3315
P8411
P1879
P1632
P6356
P6334
P4337
Atom CG of residue 64
P7190
P1741
P7678
P7335
Atom HD11 of residue 69
Atom HB3 of residue 69
Atom HG22 of residue 13
P4917
Atom H of residue 56
Atom CD2 of residue 8
P3751
P2811
P8776
P4970
P4128
P4803
P1371
Atom H of residue 66
P4360
P1731
P7503
P4971
P5387
P4960
P1615
P5035
P4998
P3757
P5708
P5923
Atom CG of residue 112
P3177
P4207
P12652
P4522
P7902
Atom H of residue 47
P2661
P3192
Atom O of residue 6
P6688
P38
P6764
P1319
P7091
P3741
Atom C of residue 34
P5388
P2601
P1696
von Mises sufficient 13
P4732
P4113
Atom CD of residue 64
P5836
Atom C of residue 71
Atom HB3 of residue 33
P6320
P5180
P7821
P4010
P3912
P4833
P5699
P0
P7411
P8122
P2020
Atom HD12 of residue 50
P5114
P8121
Atom N of residue 1
THR
Atom CD1 of residue 36
P9257
P3818
P6413
P6176
P4652
P2786
P5736
P6699
P2846
P6393
P4200
P8535
P4399
P6327
P8047
P1905
P5710
Atom HB2 of residue 33
P7345
P4322
P3817
P4493
P5349
P8311
P6766
P6335
P5195
P1781
P6134
P4398
P2460
P6689
P5929
P3020
P3526
ListSingletonContainer422
P7597
P5774
P7630
P6486
P7663
P6982
P4889
P10614
P1494
P2757
P7804
P4221
P7679
Atom HD12 of residue 69
P4332
Atom HA of residue 30
Atom HG of residue 69
P4918
P6920
P4591
P5035
P7532
P5774
P3780
P4518
P5555
P5456
P6514
P3942
P4804
P6902
P6702
Atom HG22 of residue 12
P3316
P8412
Atom HA of residue 66
P1880
P6893
P2679
P4338
P7191
P8056
P4961
P1
P7336
P5036
P11903
P4999
P7410
P1372
P9902
P6690
P5854
P6328
P3752
P1732
Atom CA of residue 1
P6729
Atom HG23 of residue 13
P4129
P7092
P1854
P6392
P5389
P5350
P2602
P5847
Atom N of residue 55
P4361
Atom CB of residue 62
P7504
P240
Atom O of residue 71
P5388
P5181
P6358
P3697
P3758
P8123
P5924
P3178
P4208
Atom HD22 of residue 8
P4523
P2662
P3193
P4890
P1697
P9258
Atom O of residue 6
P7412
P5737
P6765
P3742
P1633
P6394
P27
P8048
P4733
P8777
P4971
P4114
P12653
Atom H of residue 34
P7822
P4011
P3913
P10615
P6767
P4972
P5709
P6515
Atom OE1 of residue 64
Atom HA of residue 56
P1742
P3819
P6414
P6691
P5855
P4653
Atom HG21 of residue 70
P2787
Atom CD of residue 112
P2847
P6487
Atom CA of residue 9
Atom CA of residue 5
P6983
P4201
P4400
P11326
P2021
P1495
P6700
P6319
P7903
Atom O of residue 52
P4323
P3818
P4494
Atom HZ3 of residue 33
P2461
P7680
P8312
P1616
P6336
P2680
P5196
P5837
P7346
P4399
P4834
P5036
P5700
P7533
P3021
P3527
Atom HG23 of residue 3
P5556
P8122
P1830
P5711
P4805
P7631
P6135
P7192
P2758
P7805
P8057
P4222
P7337
P11904
P4333
P7598
P7411
P7166
P4592
Atom O of residue 36
P9903
Atom N of residue 65
P3781
P8536
Atom HH11 of residue 72
Atom HB of residue 30
P4519
P5457
P3943
Atom HD23 of residue 8
P6903
P6703
P3317
P5848
P6177
P5775
P4339
P5389
P7664
P4962
P5930
P3698
P5037
P5000
P1855
P6394
P1885
P2603
P138
P6329
P3753
P7413
P288
P6766
P5115
P1906
Linear1DFunction 32
P4130
P7093
P1401
Atom CB of residue 52
P2462
P5351
P5775
P6892
P4362
ScoreState 2
P8778
P4972
P1782
Model 138
Atom N of residue 48
P7823
ILE
P8124
P3759
P4973
P5710
P6730
P5925
P3179
P4209
P4524
Atom HB2 of residue 56
P2663
P1634
P3194
P1743
P4891
P9259
ASN
Atom HG22 of residue 70
P5738
Atom CB of residue 71
P4919
P3743
P8413
P5862
bonded
P8049
P4734
P4115
P1831
P12654
P4012
P3914
P8313
P8537
P7505
P6516
Atom CZ of residue 112
P5838
Atom HA of residue 34
P1
Atom HG21 of residue 66
P4835
P1539
P5701
P3820
P139
P6415
P4654
P5856
Atom H of residue 22
P2022
P2788
P8123
P4806
P2848
P1617
P6357
P4202
P4401
P6768
P1733
P6136
Atom HD2 of residue 6
P7904
P7806
P4324
P3819
P4495
P6984
P11327
Atom HD13 of residue 69
P2681
Atom HD13 of residue 69
P5116
P5197
P1309
P4400
P5390
P5037
P7534
P3022
P3528
P1496
P5557
P5458
P7412
P7632
P5182
P5776
P6321
P2759
P8058
P7665
P7681
P6395
P11905
P4334
P4920
P6395
P2104
P4593
P9904
Atom N of residue 11
P6692
P3782
P6338
P4520
P3944
P4807
P6701
P7193
P6904
P1402
P3318
P5776
P7338
ScoreState 12
P4340
P5712
P7347
LYS
P6704
P6488
P5863
P1540
P2604
P5931
P11328
Atom HG12 of residue 30
P1907
P6731
Atom O of residue 7
P3754
P7599
Atom CG of residue 71
P4131
Atom O of residue 65
P8414
P10616
P4363
P5001
P4973
Atom CG of residue 52
P7506
P3760
P6767
P1783
P4974
P5926
P4210
P4525
P7094
Atom CZ of residue 23
P2664
Atom HG22 of residue 66
P4963
P3195
P1694
P5038
Atom HD21 of residue 69
P4808
P3744
P7824
P5391
P6396
P6359
Atom CA of residue 65
P6178
P6894
P3699
P6330
P6769
P4735
P4116
P5711
Atom HD3 of residue 6
P7905
P5183
P4013
P3915
P1909
P1744
P4892
P5352
P5849
P8538
P1735
P5702
P3821
P6416
P4655
P8125
P2789
P5558
P7413
P8124
P5390
P2849
P6489
P9260
P4203
P4402
Atom HB of residue 22
P5739
P6322
Atom O of residue 2
P4325
Atom HG23 of residue 9
P3820
P4496
P7682
P8050
P2682
P8779
Atom CB of residue 13
P5117
P5198
P6137
P12655
Atom HB3 of residue 56
P1856
P6705
P4401
P137
P5932
P3023
P3529
Atom HD21 of residue 69
P6517
P7194
P7807
P7633
P6985
P7339
Atom HG22 of residue 3
P5713
P2760
P5864
P2105
P7666
P1891
P2463
P0
P4335
Atom HG13 of residue 30
P1497
P4921
P6396
P1635
P4594
P6693
P6179
P3783
P5857
P7414
P7600
P5777
P4521
P5839
P3945
P6702
Atom H of residue 11
P6905
P3319
Atom CB of residue 65
P4836
P5038
P7535
P8314
P5850
P11906
P5002
P4341
GaussianProcessInterpolationRestraint 43
Atom HB2 of residue 34
P1403
P7348
P1542
Atom ND2 of residue 60
P1618
P2023
P6768
P6732
GaussianProcessInterpolationRestraint 29
P1832
P7095
P8059
P2547
P4964
P5777
P3755
P5039
P5459
Atom HZ2 of residue 29
Atom NH1 of residue 112
P4132
P7825
P6360
P9905
P6895
P10617
P6331
P4364
P8780
Atom OD2 of residue 52
P5391
P4893
P5353
Atom CD1 of residue 8
P7507
P6337
P3761
P289
P5927
P4211
P4526
P2665
P3196
P7415
P8126
P3745
P1857
P5392
P6397
P9261
P4736
P140
P5740
Atom HD22 of residue 69
P4117
P6323
P5184
P4014
P3916
Model 239
P5859
P11329
P6770
P8051
P4974
P5840
P8415
P3822
P6417
P4656
Atom HB3 of residue 32
P2790
P1908
P6518
P4975
P2850
P7906
P7808
Atom HA2 of residue 47
P6490
Atom CG of residue 33
P1636
P1745
P6986
P2605
P4204
P4403
P5559
P1784
Atom OG1 of residue 14
P4326
P3821
P4497
P8315
Atom C of residue 65
P6694
P6180
P2683
P5316
P5199
P5712
P12656
Atom HB3 of residue 34
P4809
P6706
P4402
Atom H of residue 60
P3024
P3700
P3530
P6703
Atom HA of residue 11
Atom HG of residue 56
P5703
P7536
JeffreysRestraint_P0
P5039
P11907
ListSingletonContainer535
P1498
P5460
P8125
P7195
P5714
P7349
P2761
P5865
P1619
P8539
P7340
P4336
P6733
P1834
P8060
P6397
P41
P3784
Atom O of residue 21
P7601
LYS
P4522
Atom HZ3 of residue 29
Atom NH2 of residue 112
Atom H of residue 71
P3946
P6906
P1404
Model 362
P3320
P2106
P4839
P5851
P9906
P6896
P2024
P4342
P6138
Atom H of residue 52
P8416
P1544
P6695
Atom HB of residue 66
P7667
P1892
P4965
P2464
P7683
P11330
P3756
P5040
P5003
P1736
P7416
P6769
Atom CD of residue 41
P4133
P4922
ASN
Atom HB of residue 9
P4365
P6339
P8781
P5778
P7096
P5392
P7826
Atom HD22 of residue 69
P3762
P4975
Atom HD11 of residue 69
P5928
P4212
Atom HG3 of residue 6
P4527
GaussianProcessInterpolation75
P2666
Atom CG2 of residue 14
P8504
P3197
P6361
P8127
P7414
P4976
Atom CB of residue 54
P7907
P3746
P9262
P5778
P4737
P5741
P4118
P5118
P242
P4015
P3917
P2606
Atom O of residue 65
P5933
P8052
P1909
P5713
P5841
P4810
Atom HA3 of residue 47
P1858
P6707
P1746
P3823
P6418
P4657
P7508
Atom HG21 of residue 22
P2791
P5461
P1785
P6548
P12657
P2851
P1890
P5704
P4205
P4404
P8126
P7809
P4327
Atom OG of residue 65
Atom CE of residue 33
P3822
P5394
P4498
P2473
P6398
P8316
P8540
P10618
P6332
P1335
P2684
P5200
P5186
P6398
P1637
P4403
P5354
P3025
P3531
P11331
P7415
Atom HA of residue 71
Atom HG2 of residue 34
P6324
Atom HA of residue 60
P7537
P5040
P6771
Atom OE1 of residue 41
P2762
Atom HD11 of residue 56
Atom O of residue 3
P6491
P4894
P1620
P136
P4337
Atom OG1 of residue 22
P6704
P4811
P1405
P8061
P7668
P7684
P6181
P3785
P3701
P11908
Atom HG2 of residue 29
P1737
P4523
P5560
P6734
P3947
P6907
P7350
P4923
Atom CA of residue 103
P3321
P1884
P9907
P6340
P5779
Atom CA of residue 33
P4343
P6519
P6139
Atom O of residue 118
P8417
Atom HG1 of residue 66
P6987
P10619
P5715
Restraint 15
P5866
P8505
P6
P6696
P3757
P4134
P7196
Atom CG of residue 54
P5779
P7341
P4366
P5860
P6333
P7602
P7417
P5119
P6549
P5355
P5852
P3763
P4976
P5929
P4213
P4528
P2667
Atom H of residue 65
P3198
P6362
P6897
P7509
Atom HG23 of residue 22
Atom HD12 of residue 69
P4977
P12658
P3747
Atom H of residue 14
P2107
P4966
P1543
P4895
P5041
P4738
P5004
P4119
P245
P6325
P7908
P4016
P3918
P1639
P6399
P5934
P8782
P2025
P6770
P5714
ScoreState 29
P7097
P4812
P5394
P1859
Atom HD12 of residue 61
P4870
P2465
P3824
P6419
P4658
P2792
P7416
P6520
Atom CA of residue 45
P2852
P7827
P2607
P5705
P4206
P4405
P10620
Atom CA of residue 8
P8128
P8127
P1837
Atom HD21 of residue 8
P6708
P4328
P6492
P3823
P4499
P9263
Atom HD23 of residue 69
P2685
P29
P5742
P5201
P6705
P4404
P7685
P3026
P3532
P8053
Atom HG3 of residue 29
P1501
Atom HE3 of residue 29
P5842
Atom OH of residue 59
P6772
Atom O of residue 34
P290
P6140
P2763
P6988
P1738
P4338
Atom NE2 of residue 41
P5716
P1327
P5867
P7669
Atom HB2 of residue 60
P8318
P3786
P4524
P5561
P3948
P6908
P7810
P3322
P5393
P1621
P50
P6898
P8541
P7603
P6341
P5780
P4344
P6550
P5185
P1747
P7538
P5041
P5853
P1910
Atom HH22 of residue 72
P1640
P6363
P6697
P3758
P1786
Atom NE of residue 112
P4135
P7197
P8062
P1886
P4967
Atom CG of residue 8
P5780
P4367
P5861
P6334
P5042
P11909
P5005
P5120
Atom HD12 of residue 56
P1406
P6399
P4871
P5356
P9908
P6182
P3702
P8783
P3764
Atom C of residue 33
P5462
P6735
P5930
P4214
P4529
P7098
P2668
Atom NZ of residue 33
P3199
P7342
P7510
Atom OD1 of residue 52
Atom C of residue 103
P3748
Atom HA of residue 65
P4896
P11332
P4739
P8129
P4120
P6326
P4924
P6709
Atom H of residue 59
P8418
P4017
P3919
P8506
Atom HD21 of residue 60
P9264
P2026
P32
P5743
P6771
Atom C of residue 45
Atom HA of residue 14
P6493
Atom OG1 of residue 22
P3825
P6420
P8542
P4659
P8054
P7418
P2793
P4977
P6521
P5843
Atom CD1 of residue 71
P2853
P1860
P7828
P1545
P2466
P4207
P4406
Atom NE2 of residue 41
P6773
P7417
P4978
P12659
P4329
P3824
P4500
P2686
P1502
P5202
P2108
P4405
ListSingletonContainer172
P3027
P3533
P1911
P5562
P5715
P6706
P7909
Atom O of residue 103
Atom HB3 of residue 1
P1787
Atom HZ1 of residue 29
Atom CD of residue 54
P2764
P5393
P7351
P5706
P7539
P5042
Atom CZ of residue 45
P4339
Atom CG of residue 34
P8128
P5717
Atom HD13 of residue 61
P6400
P5868
P5395
P6989
P7686
P6400
P1622
P5935
P3787
ListSingletonContainer583
P4525
P6141
P3949
P1838
Atom HG2 of residue 6
P7198
P6909
P4925
P7811
P5187
P8063
P3323
P8507
P1748
P2608
P6899
P11910
P7604
P6342
P4345
P5121
P6551
Atom HD13 of residue 56
P9909
P3703
P1734
Atom O of residue 33
P5463
Atom H of residue 33
Atom H of residue 11
P7343
P3759
Atom HB2 of residue 29
ListSingletonContainer7
Atom HB2 of residue 41
Atom ND2 of residue 106
P4136
P1407
P7670
P4968
P6698
P4368
P5043
P5006
P8419
P1641
P8317
P79
Atom NH2 of residue 45
P6183
ALA
P5781
Atom HB of residue 22
P3765
P6772
P6736
P5931
P4215
P4530
P7099
Atom O of residue 45
P4813
P2669
Atom HB of residue 14
Atom C of residue 69
P3200
P5936
P4978
P243
P1381
P3749
P7829
P1546
P10621
P11333
P4740
P8130
P4121
P4979
LEU
P4018
P3920
P2467
P6401
P9265
P5781
P6335
P5744
Atom CD2 of residue 71
P6710
P6494
Atom HA of residue 59
P1887
P5357
Atom CG2 of residue 3
P3826
P5854
P6421
P8543
P4660
P8055
P7419
P2794
P5716
P2854
Atom CG2 of residue 22
Atom OE1 of residue 49
P4208
P4407
P7511
P4330
P3825
P4501
P4897
P5707
P6364
P2687
P5203
P8129
P6328
P5396
P4406
P7687
P3028
P3534
P6774
P141
Atom C of residue 43
P8784
P1912
P6142
P7910
P7812
P5395
P5188
Atom HB2 of residue 65
P2109
P6343
P1788
P6522
P2765
P7540
P5043
P6699
P5937
P4340
P1499
P5563
P5464
Atom CZ of residue 54
P7352
P6401
P2609
P5855
P3788
P11334
P291
P4526
Atom HB3 of residue 41
P7418
Atom N of residue 107
P3950
P12660
P6910
P4926
Atom CB of residue 103
P1861
P8064
P3324
P7671
P8508
P11911
P2027
P4346
P5122
P5844
Model 334
P4840
P6990
P9910
Atom N of residue 46
Atom HB3 of residue 29
P5782
Atom N of residue 39
Model 314
P6737
P7199
P4814
P6707
Atom OG of residue 91
Atom HD21 of residue 56
Atom O of residue 69
P6184
P5858
P7344
P3760
P4137
P5718
P5869
P1888
P8319
P10622
P4369
Atom HG2 of residue 72
Atom N of residue 62
P1490
P5920
P6901
P5782
P3704
P6336
P7605
P8785
P3766
P5932
P6552
P4216
P3
P4531
Atom C of residue 68
P7353
P2670
P6495
P3201
P1749
P5358
P6365
P93
Atom HA of residue 9
Atom CA of residue 42
P7420
PRO
P4979
P3750
Atom NE2 of residue 49
P7512
P4741
Atom CD of residue 34
P6773
P4122
P1382
P4980
P1833
Atom H of residue 10
Atom CG of residue 45
P4019
P3921
P4969
P4898
P6402
P1623
P5044
P5007
P1408
P7830
P1547
Model 218
Atom HD22 of residue 60
P3827
P6422
P4661
P6775
P2795
P5717
P5845
P7100
P2855
P7911
P5396
P8420
P4841
P1638
P4209
P4408
P30
P6523
Atom HB2 of residue 59
P4331
P3826
P4502
P2688
P8131
P5564
P5204
P1789
P8130
P4
P5397
P4407
P9266
P3029
P3535
P5745
Atom N of residue 92
P5189
P5338
P8056
P6143
Atom HG12 of residue 17
P2766
P6711
Atom HB3 of residue 65
P6991
P6700
P11335
P4341
ASP
Atom N of residue 33
P1913
P7200
P7813
P1862
Atom CD of residue 33
P2110
P2610
P5856
P3789
P8544
P7345
THR
P2028
P4527
P7419
P3951
P12661
P5719
P6911
P3325
P5870
P7672
P8320
P5708
Atom HB2 of residue 8
P4347
P1500
P5123
Atom HG3 of residue 72
P6327
GLN
P10623
P7606
P5783
P6553
Atom CE2 of residue 45
P6708
Atom HG1 of residue 14
P8421
P7541
P5044
P3705
P5045
P3761
Atom C of residue 70
P3
P4138
P6403
P1491
P7688
P4370
Atom HA3 of residue 76
Atom OE1 of residue 34
P6774
P5465
P6738
P4927
Atom O of residue 68
P8065
P1750
P4970
P2468
P6185
P5783
P11912
P5008
P8786
P3767
P5933
P4217
P4532
P1409
P2671
P7831
P1889
P3202
Atom N of residue 61
P6366
P9911
P5339
P142
P6344
Atom CA of residue 42
P1823
P7101
Atom CG of residue 103
P3751
P8509
P1624
P7513
P4742
Atom HG3 of residue 38
P4123
P7354
Atom NH1 of residue 54
Atom HB3 of residue 59
P4020
P3922
P102
P7421
P8132
Atom HD22 of residue 56
Atom CB of residue 69
P9267
P3828
P6423
Atom O of residue 8
P4662
P2796
P5746
P5846
P4815
P2856
P5397
P4842
P4210
P6900
P4409
Atom CD of residue 41
P6776
P8057
P4980
Atom H of residue 47
P4332
P3827
P4503
P5938
P6701
P11336
P2689
P5205
Atom CG of residue 77
P4981
P7912
P7814
Atom N of residue 6
P4408
P5398
P6403
Atom CD of residue 45
P3030
P8545
P3536
P6337
Atom CZ of residue 45
P4528
P5565
P7420
ALA
Atom HG13 of residue 17
Atom HB3 of residue 6
P5190
Atom HG21 of residue 14
P1548
P5359
P5045
Atom HB2 of residue 18
P5718
P12662
VAL
P2767
P6712
P6496
P10624
P4342
P2029
P5466
Atom H of residue 41
P244
P1383
Atom CZ of residue 45
P6709
P1320
P4899
P2469
P7542
P3790
P1328
P5124
P3952
P1587
P8131
P7201
P5720
P6912
P6329
P3326
P5871
P7689
P8321
P7346
P6345
P4348
P6739
P4928
Atom OD1 of residue 103
P8066
P2111
P2611
ListSingletonContainer84
P11913
P7607
Atom HG21 of residue 13
P6524
P6554
P4533
P4816
Atom NH2 of residue 54
P8422
P9912
P139
P3762
P5046
Atom HA of residue 15
P6144
Atom CA of residue 107
P4139
P8510
P5709
P4371
Atom HD2 of residue 38
Atom CG2 of residue 118
Atom ND2 of residue 77
P7355
Atom HG of residue 65
P7673
P4971
P6186
P6338
P5009
P7422
P3768
P6775
P5934
P4218
P2672
Atom CG of residue 69
P3203
P6992
P5360
P5857
Atom CB of residue 8
P5784
P7102
P3752
P7832
Atom CG of residue 4
P4743
Atom CE2 of residue 45
P4981
P4124
Atom HA2 of residue 47
P4021
P3923
P4900
P5939
P3706
P5340
P8133
P292
P2322
P4982
P8201
P7913
P1863
P6497
P6402
Atom C of residue 16
P5399
LEU
P6404
P9268
P3829
P6424
P6902
P5784
P4663
P8787
P2797
P5747
P0
P2857
P5398
P5191
P2
Atom HB2 of residue 49
P6368
P14
P4211
P4410
P8058
P6525
P5719
Atom CB of residue 68
P6713
P4333
P1492
P3828
P4504
P2803
P7514
Atom HD2 of residue 38
P5206
P1384
Atom O of residue 62
P6
P1549
P4409
ASN
P3031
P3537
P11337
P4529
P1588
P8132
P7815
P6330
P7690
P5046
P6702
P13041
Atom CZ of residue 45
Atom C of residue 107
P5847
Atom HD2 of residue 72
P2768
P7356
Atom HG22 of residue 14
P1751
P4843
P1625
P5859
Chain A
Atom HB3 of residue 18
P4343
P7421
P4534
Atom HD23 of residue 56
P7543
P3791
P6777
Atom O of residue 70
P31
P1
Atom HA of residue 41
P3953
P12663
P6913
P3327
P8322
P5710
P6346
P4349
P6710
P1410
P8067
Atom N of residue 66
P7674
Atom CA of residue 71
P8546
P11914
P5566
P6740
P4817
Atom HD13 of residue 8
Atom O of residue 92
P6993
P2612
P9913
Atom C of residue 46
P3605
P3763
P5785
Atom HG22 of residue 13
P1914
P6145
P4140
P8202
Atom H of residue 54
P1864
P2112
P12
P4372
P7
P13042
Atom HB2 of residue 15
Atom H of residue 45
P4
P5721
P1336
Atom HD1 of residue 59
P5872
Atom CD1 of residue 69
P6339
Atom CB of residue 34
P3769
Atom HG1 of residue 66
Atom N of residue 78
P5935
P4219
P7202
Atom CB of residue 45
P2673
P3204
P5361
P5940
P6903
P5785
P7347
P7608
P7423
P8788
P6555
P5399
P3753
Atom HB3 of residue 49
P4744
P4982
P4125
Restraint 37
Atom O of residue 27
P6404
P4022
P3924
P1493
P4901
P7515
P5125
P4983
P1790
P4929
Atom CB of residue 62
P6498
P8423
P8511
P4972
P2470
Atom HB3 of residue 60
P3830
P6425
P6187
P5047
P5010
P2798
P5467
P2858
P7914
Atom CD2 of residue 68
P1411
P5097
Atom O of residue 16
P4212
P8547
P6703
P4411
Atom HG12 of residue 5
P6776
P1385
P5720
P6526
Atom HB2 of residue 18
P5848
P7103
P4334
P3829
P4505
P1752
P4844
P1626
ClosePairContainer
P1791
P5207
P7422
P7833
P4410
P3032
P3707
P3538
P5342
Atom CB of residue 70
Atom HD3 of residue 38
P8134
P4530
Atom CA of residue 43
P8133
P6331
P6714
P8323
P9269
ListSingletonContainer66
P5748
P6711
P2769
P8059
P4344
P4535
Atom CB of residue 92
Atom HD2 of residue 59
P6367
P3792
P3606
P6778
P6146
P3954
P12664
P6914
Atom HG23 of residue 14
P3328
P7691
P6405
Atom HB2 of residue 38
P4350
P5722
P4930
P7675
P5873
P8512
P5400
Atom O of residue 46
P11338
Atom HG21 of residue 66
P1915
P5567
ScoreState 43
P7816
P5192
Atom HA of residue 32
P5711
P5941
P10625
P3764
P13040
P7609
P5786
P5126
P1791
P4141
P6556
P8203
P1346
P7357
P2183
P6994
P2471
Atom C of residue 71
P5047
P7544
P4373
P1589
Atom HD3 of residue 72
Atom CB of residue 27
P6405
Atom HA3 of residue 47
P1550
P2613
P6348
P1682
P3770
P5468
P5936
P4220
P7203
P1865
P8068
P2674
P8424
P3205
P4973
P11
P6904
Model 256
P5786
P7348
P5048
P11915
P5011
Atom O of residue 107
P4818
P5098
P3754
Atom CD2 of residue 69
P9914
P3723
P4745
P4126
P6741
P7104
Atom NE of residue 54
P4023
P3925
P7516
Atom N of residue 57
P6406
P3831
P6426
P6188
P6340
GridCPF
P8135
P2799
Atom C of residue 24
Atom HB2 of residue 6
P2859
P6715
Atom HH21 of residue 72
P1323
P3
P1494
P5362
Atom HD3 of residue 38
P9270
P4213
P5860
P8548
P4412
P1792
P5749
P293
Atom HD12 of residue 3
P6777
Atom N of residue 15
P4335
P3830
P4506
P1753
Atom HB3 of residue 32
P6704
P10626
P8060
ListSingletonContainer536
P7424
Atom HE of residue 42
Restraint 7
P4983
P5208
ILE
P0
P1412
P7834
P2113
P4411
P5401
P4902
P3033
Atom HA3 of residue 10
P3539
P6779
P4531
P4984
P7423
P1347
P6332
P5193
P6500
Atom H of residue 49
P7692
P1627
P8789
Atom C of residue 88
P1386
P2770
P6369
P4345
P5568
P1916
P5721
P6527
P6712
P7915
P5400
P3793
P3607
P1683
Atom N of residue 16
Atom HB3 of residue 18
P3955
P6915
P3329
P5048
ASP
P7545
ListSingletonContainer139
P4351
P1590
P8205
P8134
P5723
P4931
P5874
P8513
Atom H of residue 1
P5341
P11339
P3077
P5469
P6147
P2
P5849
P7204
P7817
P8069
P4845
P3708
P7349
P3765
P11916
P7610
P5127
Atom CB of residue 107
P6557
P4142
P4819
P4536
P7358
Atom H of residue 69
P1551
P9915
P4374
Atom OE1 of residue 41
P12665
Atom CB of residue 24
Atom CE1 of residue 68
P2184
P6406
P3771
P5937
P4221
SER
Atom CA of residue 62
P2803
LYS
P7676
P3206
P4974
P6995
P8324
P6905
P6341
P5049
P13045
P5012
P8790
P5099
P3755
P5363
Atom O of residue 71
P5712
P6189
P4746
P5787
P4127
P6778
P6742
P7105
P1866
P3926
P4024
Atom NH1 of residue 45
P10627
Atom HH11 of residue 42
P4984
Atom CA of residue 78
P7835
P2114
P4903
P6407
P3832
P6427
P8136
P2800
Atom HE21 of residue 2
P4985
Atom HE of residue 72
P5401
P6333
P2860
P1903
P9271
P4214
P5861
P5787
P4413
P6347
Atom HB3 of residue 24
Atom CG1 of residue 17
P5750
P5850
P6716
P4336
P3831
P8425
P4507
P4846
P6370
ListSingletonContainer158
P8061
P7425
Atom CA of residue 70
P5209
P5722
P6528
P1495
P4412
P5402
P2472
Atom HA of residue 49
P3034
P3540
P7517
GLU
P4532
P8206
Atom HZ1 of residue 11
Atom NE2 of residue 68
P0
P5194
Atom H of residue 9
P8135
Atom CA of residue 92
P2771
P1413
THR
Atom HE1 of residue 59
P11340
P6780
P4346
Atom HG22 of residue 66
Atom HG23 of residue 5
P6148
P246
P1387
P7916
P7818
Atom CA of residue 27
P1754
P2614
P3794
P5942
P3608
P13046
P3956
P4537
P6916
P7359
Atom C of residue 62
P3330
P8325
P5049
P7546
P8549
P6705
P5343
Atom HG3 of residue 24
Atom NE2 of residue 41
P4352
P5569
P1792
P7
Restraint 55
Atom CA of residue 39
P1628
P3078
P7424
Atom C of residue 73
Atom CA of residue 57
P8070
P2804
P6499
P7677
P6906
P3766
P11917
P1793
P143
P5470
Covariance1DFunction 68
P1591
P4143
P8426
P5713
P9916
P3709
P4375
P5788
P1917
P6743
Atom CB of residue 118
P12666
P7205
P6713
P2
Atom CA of residue 42
P6407
P6996
P7693
P10628
P7350
P3772
GLU
P5938
P4222
P5724
P4932
P5875
P3207
P55
P5943
ListSingletonContainer460
MovedSingletonContainer5
P8791
Atom CB of residue 43
P5100
P1867
P3756
P1893
Atom CB of residue 71
P5788
P4747
P7611
P4128
P5129
P6558
P3927
P4025
P8514
P7426
P4985
P4847
P1552
P3833
P6428
P6190
P7518
P6349
Atom CG2 of residue 17
Atom HG23 of residue 66
P2801
P4533
P6779
P4986
P5402
P2861
P2185
LEU
P2115
P4975
P4215
P4414
P5050
P5013
P5851
P4820
Atom CE2 of residue 45
Atom HE2 of residue 59
P4337
P7836
P1496
P3832
P4508
P6371
P13043
P5210
Model 113
P5723
P1793
P7106
P7917
P1755
P4413
Atom OD1 of residue 32
P3035
P3541
P1684
GeneralizedGuinierPorodFunction 32
Atom C of residue 92
P1894
P6408
P8550
P5344
P6342
Atom N of residue 25
Atom CA of residue 16
P8137
P5570
P6149
P8136
P2772
Atom H of residue 68
Atom C of residue 27
Atom CA of residue 48
Atom C of residue 6
P5364
Atom CZ of residue 72
P9272
Atom CA of residue 8
ListSingletonContainer304
P4347
P5751
P249
AngleSingletonScore1
P3795
P3609
P8062
P1773
P3957
P6917
P6717
P3331
P5404
P4904
P8326
P1629
P70
P6706
P11341
P4353
P7206
P2
Atom N of residue 24
P7819
Atom C of residue 57
P5196
P6501
P6408
P7694
P3710
P13044
P1794
P3079
P7425
P12667
P5725
P7360
P6334
P4933
Atom CA of residue 15
P2805
P7678
P5876
P5944
P3767
P33
Atom HH22 of residue 42
P294
P1918
Atom OD1 of residue 77
P6529
P2233
Atom CG of residue 43
P4144
P4837
P4538
P5101
P8427
Atom CA of residue 6
P3132
P5714
P4376
P7612
P5789
Atom CA of residue 18
P6559
P6714
P8515
P5365
P5050
P7547
P6781
P3773
P5939
P1592
Atom C of residue 18
P3208
P1553
Atom C of residue 39
P6343
PairScore 8
P6350
Atom OE2 of residue 16
P6780
P6744
P1388
Atom HA of residue 6
P8071
P3757
P4976
P2474
ListSingletonContainer144
P5789
P5051
P11918
P4748
P5014
P1685
P4129
P1439
P7837
P3928
P4026
Atom CG of residue 71
P9917
P5471
P7107
P2186
P4905
Atom NH1 of residue 72
P5858
P3834
P6429
P6191
P7519
Atom H of residue 41
P2802
P3
P2862
P2116
P6409
P4216
P4415
P10629
P7427
P8792
P8138
Atom N of residue 67
P1822
P7
P4338
P3833
P4509
P9273
P6372
P6907
Atom C of residue 8
P5752
P5211
P6530
P4934
Atom O of residue 70
P4
P4414
P3036
P3542
P8063
P144
P1774
P4986
P5128
P6335
Atom C of residue 48
P4848
P6707
P5345
P11342
P6782
P4987
Atom C of residue 58
Atom CD1 of residue 43
P2773
P7820
P5404
P7918
P6502
P7695
P4348
Atom HA of residue 19
P5571
P7426
P5852
Atom O of residue 47
P7361
P3796
P3610
P34
Atom N of residue 43
P4534
P5724
P8207
P3958
Atom N of residue 6
P6918
P6718
Atom CD of residue 64
P3332
P4354
Atom O of residue 73
P6715
Atom C of residue 15
P6997
P5051
P7548
GaussianProcessInterpolation52
P2234
P8137
P5726
P7207
P1414
P2806
P5877
Atom O of residue 39
P8551
P7351
P3768
Atom CG of residue 8
P13063
Atom H of residue 16
Atom HA of residue 18
P8233
P6745
P1389
P5
P4145
P8072
P1497
P5945
P4377
P11919
P7613
P1593
P6560
P12668
Atom CG of residue 68
P1895
P1756
P5366
P8328
P9918
P3080
P3774
P5940
Atom OG1 of residue 47
P1868
P3209
P5403
P6908
P141
P6344
P6351
P4539
Atom O of residue 18
P3758
P5195
P7679
P4977
P10630
P5052
P1795
P4749
P5015
P7428
P8793
P4130
P6781
Atom O of residue 57
Atom HH of residue 59
P3929
P4027
P5715
P6373
P5340
Atom HA of residue 41
P5790
P5472
P1919
P1795
P7108
Atom OE1 of residue 64
P7838
P4906
P1630
P3835
P6430
Atom HB2 of residue 19
P4987
P3059
P8234
Atom CB of residue 73
Atom HD12 of residue 8
P2863
P6409
Atom O of residue 48
P8428
P8516
Atom NH2 of residue 72
P3131
P68
P4217
P4416
Atom HA of residue 24
P8139
P4988
Atom O of residue 58
P7919
P4339
P3834
P4510
P9274
P8552
P5790
P1686
P5753
P5130
P5212
P6531
P5853
P4937
P4849
P4415
Atom O of residue 4
P2475
P3037
P3543
P8064
LEU
P4535
P5725
P8208
P6336
P6719
P6192
P5346
P7520
P247
P2774
P5102
P6998
Atom CD1 of residue 71
Atom CG of residue 11
P3711
P11343
P4349
P1775
P8138
P7821
P1554
P3797
P6708
P3611
P8237
P3959
P6919
P7362
P3333
P2117
P13048
P4355
P7427
P1415
P7696
P5052
P6410
P7549
P2235
P1499
P8517
P3769
P4146
P0
P4821
P6716
Atom ND1 of residue 68
P5403
P8073
P7680
P1757
P10631
P4378
P7352
PairsRestraint 7
P11920
P5572
P6746
Atom O of residue 43
P12669
Atom CG2 of residue 47
Atom CB of residue 57
P1869
Atom N of residue 60
P6410
P1896
P5405
P5716
P5341
P9919
P6783
P3081
P3775
P5791
P295
P5473
P1390
P1796
P5941
P2807
P5197
P3210
P1631
P6909
P6352
P1796
P3060
Atom CA of residue 69
P5727
P4540
P2187
P3759
P5103
P8429
P5878
P4750
Atom CA of residue 67
Atom CE2 of residue 4
P4131
P1920
Atom CB of residue 58
P7208
P6503
P4028
P3930
P5791
P7429
P7614
Atom HH12 of residue 42
P5131
P6561
Atom CA of residue 26
P3836
P6431
LEU
P5946
P3712
P4988
P2864
Atom OE2 of residue 64
P8521
P8327
P6411
P4218
P4417
P5347
P6345
P7353
P7521
Atom HB3 of residue 19
P4989
Atom CG of residue 73
P4340
P3835
P4978
P4511
P5367
P8553
P5053
P5016
P5213
P4940
P7920
Atom N of residue 48
P4416
P2476
Atom H of residue 72
P3133
P3038
P6709
P3544
P8140
P4536
P6782
P5726
P1594
P7109
P1555
P4907
P6193
P13049
P1687
P7428
P4822
Atom HB2 of residue 16
P1416
P2775
Restraint 151
P7839
P7697
P30
P10632
P4350
P8794
P8139
P6720
P0
Atom CD2 of residue 71
Atom N of residue 39
P9275
P3798
P3612
P5754
P6532
P3960
P6717
P6920
P3334
P6504
P6374
P8065
P4356
P1776
P5728
P6338
P2188
Atom HG21 of residue 5
P5406
P6784
P8204
P5405
P5198
P8518
P6999
P142
P3770
P6353
Atom HB2 of residue 41
P5854
P4147
Atom H of residue 6
Atom C of residue 26
P7681
P5879
P4850
P4379
P11344
P5573
P1797
P7822
Atom HG21 of residue 26
P6411
P5717
P3082
P7615
P3776
P5792
P8236
P1391
P5942
P6562
Atom C of residue 69
Atom OG of residue 57
P7363
P2808
P2118
P3211
P5053
P7550
Atom H of residue 12
Atom CD2 of residue 4
P3061
P4823
P4541
Atom HB2 of residue 73
P3760
P5104
P8522
P1897
P6346
P4751
P8795
Atom O of residue 28
P5474
P4132
ILE
P7209
P8074
P1500
P4029
P3931
P4979
P5368
P5792
P5054
P11921
P5017
P5132
P12670
P7000
Atom HA of residue 72
P8329
P3837
P9920
P6432
P5947
P8141
Atom HH21 of residue 42
P6747
P5855
P7110
P2865
Atom N of residue 13
P4908
Model 219
P6412
P4219
P4418
P6911
P7522
THR
P4341
P3836
P1758
P4512
Model 45
P3134
P6375
P6194
Atom HB3 of residue 41
P5214
P1595
P6721
P8430
P4851
P4417
P9276
P5342
P3039
P3545
P7354
P1688
P5755
P4537
P1921
P6533
P2236
Atom HB3 of residue 16
P1632
P6710
P8066
P13050
P7430
P4989
Atom CD of residue 40
P2776
P7840
P4351
P6783
P4990
P7429
P5406
P2477
P3799
P3613
P6785
P1797
Atom CB of residue 28
P1777
P3961
P6921
Atom H of residue 64
P3335
P6505
P7551
P10633
P4357
P5574
P5727
P8140
P5729
P6718
P7921
Atom HB3 of residue 73
Atom HG22 of residue 26
ASN
P1898
P5407
P8554
ListSingletonContainer537
Atom HZ2 of residue 33
P5199
Atom O of residue 26
P5054
P3713
P5348
P3771
P4148
P1417
P5880
P43
P4380
P11345
P5475
Atom NE2 of residue 40
Atom O of residue 10
P7210
P7823
P8075
P2119
P8431
Atom HZ of residue 4
P5343
Atom CG2 of residue 9
ListSingletonContainer305
phys
P11922
P3083
P7616
P131
P3777
P5943
P6563
P7364
P2809
P3212
P8330
P9921
P5948
Atom C of residue 67
P3062
P248
P1392
P4542
P6337
P4936
P3761
P7001
P4752
P8796
P4133
P6
P7682
P4030
P3932
P1759
P1556
P4980
Atom H of residue 71
P5055
P5018
P5133
P8235
P1794
Atom CA of residue 58
P12671
P6413
P1501
P8519
P5718
P6376
P3838
P6433
P7355
Atom CA of residue 14
P5793
P6748
P4104
P5856
P2237
P7111
Atom H of residue 57
P2866
P7698
P1633
P4220
P4419
P13051
P1798
P4990
P5105
Atom HB2 of residue 64
ILE
P4342
P7841
P3837
P4513
P6354
Atom CG1 of residue 3
P8142
P6784
P1922
P5215
P4991
P5728
Atom O of residue 69
P4824
P4852
P4418
P9277
P5793
P3040
P3546
Atom HG2 of residue 41
P5756
P4538
P6722
P6195
P5349
P8067
P7431
P296
P8141
P2777
P2189
Atom CA of residue 60
Atom HB3 of residue 56
P6413
ListSingletonContainer51
P8555
P3714
P6347
P4352
P7523
P5407
P8523
P5369
P3800
P6910
P3614
P3962
P6922
P3336
P3135
P7552
P11346
Atom H of residue 28
P4358
P1596
P7922
P7824
P1899
P5408
P4909
P10634
Atom HG23 of residue 9
P1689
P1418
P7365
Atom HG of residue 73
P5200
P6506
Atom HA of residue 71
P5055
P6711
P7356
P3772
P1338
Atom HZ3 of residue 33
Linear1DFunction 8
Atom O of residue 67
P5575
P4149
P4543
Atom CB of residue 6
P4381
P6786
P7430
P6534
Atom CB of residue 69
Atom CG1 of residue 92
P8076
P7683
P8432
P1557
P2478
P7699
P5344
P11923
P145
P3084
P3778
P5134
P5476
P5944
Atom H of residue 40
P6339
P2810
P8520
P3213
Atom HB2 of residue 72
P5719
P8331
P9922
P6355
Atom H of residue 47
P5794
P6749
P12672
P6719
P7211
Atom HA of residue 57
P3762
P2120
P6348
P4753
P4134
P5730
P4935
P5106
P5881
P4031
P3933
P5370
P5949
Atom C of residue 14
P1778
P2238
P4825
Atom CB of residue 26
P3839
P6434
P5794
P7617
P3063
P4105
P6564
P2867
P8524
P1760
P4910
P4221
P4420
P7432
P4991
Multivariate Normal distribution 20
P2190
P0
P4343
P3838
P4514
P7002
Atom HG of residue 56
P6414
P7524
P8797
P6785
P5216
P4992
P5729
Atom HG12 of residue 26
P4419
P4981
Atom HB3 of residue 72
P3041
P3547
P5056
P5019
P1799
P4539
P1393
P6535
Atom C of residue 60
P7842
P6377
P6196
P5350
P7112
P7923
P2778
P6412
P1900
P5409
P6912
P4353
P1690
Atom CG2 of residue 92
P5408
P5201
P6507
P2479
P3136
P3801
P3615
P13052
P8143
P5576
P1597
P5857
P8142
P3963
Atom NZ of residue 6
P6923
P3337
GeneralizedGuinierPorodFunction 50
P4853
P9278
Atom CA of residue 28
P5757
P4359
Atom NE2 of residue 2
P7700
P8068
Atom CD2 of residue 4
Atom O of residue 117
Atom HG3 of residue 33
P6340
P6723
P6712
P11347
P3773
Atom HA2 of residue 47
P4150
P4544
P7212
P1558
P37
P1634
P8556
P4382
P6787
P7431
P5731
P7366
Atom HD11 of residue 73
P7684
P5882
Atom CD1 of residue 3
P5950
P3085
P3779
P1923
P5945
Atom CG of residue 69
P7825
P2811
Atom CG1 of residue 26
P3214
P5720
P8332
P10635
P13054
P6356
P7618
P5795
P6565
P6720
P3763
Atom N of residue 47
P5056
P7553
Atom HB2 of residue 71
P3715
P6349
P4754
P1779
P4135
Atom HB2 of residue 57
Atom HB3 of residue 64
P4032
P3934
P7003
P5371
P7357
P8798
P6786
P6750
P5859
P12673
P4826
P8077
Atom CG2 of residue 14
P1498
P4982
P5345
P3840
P6435
P5795
P5057
P11924
P5020
P3064
P4106
P2868
P2191
P8525
P7843
P4911
P4222
P9923
P4421
P5477
P2239
P7113
Atom HG13 of residue 26
P4344
P3839
P8433
P8521
P4515
P6913
P7525
P130
Atom CB of residue 44
P5217
P1394
Atom HA of residue 40
P5409
P8563
P4420
P6378
P8557
P3042
P3548
P7433
P8144
Atom HG21 of residue 3
P6536
Atom HD3 of residue 33
P6414
P2121
P4854
Atom HG2 of residue 72
Atom CA of residue 47
P9279
Atom N of residue 34
P5758
P5135
P2779
P1761
P7702
P1635
P1
P8069
P4354
P1800
P4992
P2679
Atom HG12 of residue 3
P5107
Atom O of residue 60
Atom HB3 of residue 71
P6713
P3802
P3616
P11348
Atom C of residue 28
P297
P4540
P4993
P3964
P6924
Atom N of residue 93
P7924
P3338
P1901
ListSingletonContainer52
P6788
P4360
P5577
P7432
Atom N of residue 118
Atom HD11 of residue 8
P7367
P6197
P5352
P13055
P146
Atom HA3 of residue 47
P1924
P5730
P6341
P6724
Atom HG2 of residue 64
Chain A
P6415
P8333
P10636
P3774
P4151
P6721
P4545
P4
P8522
P5057
P7554
P3716
P4383
P8143
P5732
P7213
P5883
Atom CA of residue 36
P143
P3086
Atom HA of residue 8
P3780
P6751
P5946
Atom CD2 of residue 69
Atom HD12 of residue 73
P8078
Atom H of residue 14
P3215
Atom HD11 of residue 56
P5346
P5951
P11925
P1691
P7619
Atom N of residue 51
P6566
P3764
P5410
P3137
P9924
P4755
P4136
P7826
P5202
P8434
P4033
P3935
P7358
Atom CG1 of residue 44
P5136
Atom HB2 of residue 40
P12674
P4827
P6508
P7685
P4983
P7004
P7701
P2105
P3841
P6436
P5058
P7434
P5021
P66
P3065
P6787
P1598
P4107
P2869
P2680
P5108
P6415
Atom C of residue 47
P5721
P4422
P1
P6358
P5796
GLU
P5478
P7114
P4345
P7844
P3840
P4516
P2480
P6416
P6914
P6350
Atom CG2 of residue 12
P4993
P5218
P8564
P4421
P5372
P8558
P3043
P3549
P8145
P1780
P4994
Atom N of residue 6
P7925
Atom HE21 of residue 40
Atom HA3 of residue 35
P1902
P1762
P9280
P53
P5796
P1801
P5759
Atom HE2 of residue 33
Atom CA of residue 93
Atom HB3 of residue 57
P2780
P8527
Atom CB of residue 60
P4912
P8070
P4355
P5731
P2192
P6725
P3803
P3617
P7526
P8799
P67
P4541
P3965
Atom NZ of residue 11
P6925
P5203
Atom HA of residue 26
P3339
Atom HG of residue 71
P1636
Restraint 72
P11349
GLU
P4361
P6537
P8144
P2240
P6509
P5412
P6379
P6714
P6198
Atom CD2 of residue 15
Atom H of residue 69
P7368
P6342
P2122
P3775
P1692
P7433
P4152
Atom N of residue 41
Atom HG3 of residue 64
ILE
Atom C of residue 36
P8523
Atom HG3 of residue 72
P5058
P7555
P10637
P4384
P11926
Atom CA of residue 48
P1925
P5860
P5410
P1945
P7827
P4855
Atom HD13 of residue 56
P7359
P3087
P3781
P1397
P5947
P4828
P6722
P8079
P7686
P3216
P3138
P6789
P5578
P250
P6752
P1599
P4546
P3765
P5722
P9925
P3717
P5351
P4756
P5797
Atom CG2 of residue 44
P4137
P5479
P4034
P3936
P7703
P2106
P6351
P13056
P8800
P5137
P5733
Atom C of residue 93
Atom HB of residue 26
P5884
Atom HG13 of residue 61
P2481
P5373
P3842
P6437
P3066
P4108
P7214
P2870
P2681
P6416
P5797
P4423
P7435
P7620
P6567
Atom HG of residue 57
P4346
P3841
P5415
P4517
P4857
P7005
P4913
P6417
P8334
P5952
P6915
Atom CA of residue 34
P1781
P4994
P5219
THR
P5109
P4422
P6380
P3044
P3550
P7527
P4995
P12675
P1
P8435
P4984
P5347
P5059
P5022
P6538
P1365
P7926
P2781
Atom HE22 of residue 31
P6715
P4356
P6788
P5732
P7115
P5412
P6343
P6199
P3804
P3618
P6357
P5760
P4542
P7434
P3966
P6926
P2193
Atom HD13 of residue 73
P3340
P7845
Atom CA of residue 36
Atom O of residue 36
Atom HD2 of residue 72
P6790
P8146
P4362
Atom CB of residue 14
P8145
P6726
P6510
P2123
P9281
P3718
P144
Atom CA of residue 51
Atom C of residue 118
P6723
P5204
P1637
P8559
P3776
P8071
Atom C of residue 48
Atom OE1 of residue 40
P4153
Atom CB of residue 4
P1946
P8526
P6917
P4385
P1398
P1366
P5861
P7828
Atom HB1 of residue 46
P13057
P1693
P3088
P3782
LYS
P5948
Covariance1DFunction 84
P5734
Atom CD of residue 6
P7687
P8436
P5885
P1904
Atom HG21 of residue 61
P3217
P1763
Atom CD of residue 37
P3139
P8335
P5348
P5353
P11350
Atom CZ of residue 4
Atom CB of residue 62
P1926
P5579
P253
P2241
P4547
P3766
P4858
P5723
P7360
P7621
P4757
Atom HB3 of residue 63
P5798
P4138
P6568
Multivariate Normal distribution 43
Atom O of residue 93
P7369
Atom HA of residue 64
P4035
P3937
P7006
P5059
P7556
P0
P11927
P1802
P8801
P298
P1600
P5415
Atom CG of residue 60
P7705
P3843
P6438
P10638
P3067
P5480
P4109
P7215
P2871
P8080
P2682
Atom HG11 of residue 26
P6417
P4985
P8524
ListSingletonContainer57
P2107
P5798
P4424
P5060
P5023
P4347
P3842
P4518
P1334
P9926
P5953
Atom HA of residue 44
P5220
P6753
Atom HE3 of residue 33
P7116
Atom N of residue 58
P5110
P4423
Atom HA of residue 37
P6381
P3045
P3551
P6359
P7528
P5761
P5139
P12676
Atom HD21 of residue 73
Atom N of residue 32
P8147
OptimizerState 6
P1367
P2782
P6727
Atom N of residue 36
P2482
P9282
P4357
Atom CG of residue 62
P6789
P3
P2194
P1910
P5416
Atom HD21 of residue 56
P6418
P8560
P6716
P3805
P6352
P3619
P8072
P7436
P4995
P4543
P3967
P4829
P6927
P3341
P7846
P5374
P4363
P4996
P7435
P7829
P1638
P6200
P13058
Atom CA of residue 27
P1516
Atom OE1 of residue 18
Atom CE of residue 6
P8528
P4914
P5354
P3777
P5580
P5733
P4154
P6724
P7927
Atom OD1 of residue 60
P2124
P7704
P7361
P4386
Atom HG2 of residue 63
SingletonScore 11
P1764
P5060
P7557
P103
P3089
P3783
P1782
P1927
P6539
P5949
P8146
P5735
P6511
P8437
P5886
P3218
P8336
P5349
P11351
Atom HD2 of residue 4
Atom CB of residue 51
P5481
Atom HZ1 of residue 33
P4548
P7216
GLN
P8081
P3767
P5206
P6418
Atom C of residue 36
P1908
P8525
Atom HD11 of residue 71
P11928
ListSingletonContainer538
P1694
P7622
P1803
P4758
P4139
P1368
P6569
P2242
Atom CD1 of residue 69
P7370
P6344
Atom CZ of residue 42
P4036
P3938
P5
Atom H of residue 4
P3140
Atom HD22 of residue 56
P9927
P5954
P3719
P6353
P5061
Atom HB of residue 44
P4830
P5111
P0
P5375
P3844
P6439
P10639
P6360
P3068
P4110
P2872
P2683
Atom CG2 of residue 26
P7688
P4986
P2483
P4425
P5024
P1601
P12677
P1947
P4348
P3843
P4519
P4915
P5724
P6791
P5799
P6790
P5221
P1395
P6754
P7117
Atom C of residue 62
P4424
P6419
P9283
P3046
P3552
P8802
P4996
P1381
P5416
P7847
P4859
Atom H of residue 2
P8148
Atom CD of residue 62
ScoreState 20
P4997
P6540
P2783
Atom HD22 of residue 73
P5061
P5799
P4358
P5762
P6728
P8529
ILE
P7007
P3806
P3620
P8073
P7437
P4544
P5734
Atom CG1 of residue 3
P3968
P6928
ASN
P3342
Atom HG22 of residue 61
P7707
P2108
P6383
P6918
P7529
P4364
P1517
P7928
Atom O of residue 36
P1905
P6201
Atom N of residue 48
P1783
P5138
P8147
ASP
P6345
P7830
P6512
P1323
P5355
P3778
Atom HB of residue 3
Atom CG of residue 51
P5858
P4155
P4549
Atom CA of residue 41
P3
P4387
P0
Atom CB of residue 23
P7371
P2195
Atom ND2 of residue 60
P5414
P7558
P8561
P6717
P7362
P13053
P3090
P1312
P3784
P5581
P251
P5950
P1382
P3219
P10640
P11352
P1695
P7436
P1344
P8082
P3768
P7689
P3141
P6792
P11929
P4759
P4140
P5482
P1948
P4037
P3939
P5725
Atom HD12 of residue 71
P9928
P6354
P5800
P6755
Atom HG3 of residue 2
P4831
P6725
P7217
Atom H of residue 26
P5376
P3845
P6440
P8803
P2
P3069
P4102
P1602
P4111
P2243
P5736
P2873
P2684
P5887
P2125
P1765
P4860
P8338
P5350
P4426
P5955
P147
P299
Atom CG1 of residue 23
P2196
Atom O of residue 62
P4349
P3844
Atom HD11 of residue 61
P4520
Atom O of residue 10
P4916
P5800
P3720
P6361
P7623
P5222
P1396
P6570
Atom HD2 of residue 33
P5205
ASP
P8438
P4425
P8526
P7008
P1639
P3047
P3553
P5324
P7438
P1804
P4997
P12678
P7929
P3
P8562
P7530
P6791
P1928
P4998
P6541
P5340
P2784
P4987
P37
P4
P4359
P5025
Atom H of residue 64
Atom CA of residue 58
P8530
P6419
P7848
P3807
P3621
P4545
P5735
P3969
P7118
P6929
P3343
Atom HD13 of residue 71
P9284
Atom HG3 of residue 63
P4365
P5140
Atom CB of residue 33
P8149
P5582
P8148
P1379
P5414
P6346
Atom C of residue 41
P6919
P5356
P3779
LYS
Atom HG23 of residue 26
P5763
P4156
P4550
P5112
P7706
P6420
P4388
P6793
P8074
Atom OE1 of residue 62
P1784
P6729
P8527
P6718
P3091
P3785
P5951
P7218
P3220
P6382
P6202
P5325
P7437
Model 335
Atom H of residue 14
P5737
P3769
Atom H of residue 60
P7690
P5888
P4861
P5324
P31
P5351
P5956
ListSingletonContainer306
P4760
Atom CD1 of residue 44
P4141
Atom CD of residue 33
Atom CG2 of residue 23
P7831
P4038
P3940
P4521
P5726
P2109
P10641
P7624
P5801
P5341
P6571
P6726
P1380
P7372
Atom CA of residue 32
P8439
P1766
P2484
P7559
P3846
P6441
P3721
P11353
Atom H of residue 15
P3070
Atom HA of residue 64
P4103
P4112
SingletonScore 7
P1949
P2874
P2685
P6420
P6513
P4427
P7363
P1518
P6792
P1929
P4
P6756
P8083
P5207
P4350
P3845
P4988
P1640
P5801
P11930
P6362
P1805
P5026
P5223
Atom CA of residue 3
P2244
P5113
P7849
P1906
Atom HD12 of residue 61
P4426
Atom H of residue 10
P6421
P9929
P3048
P6355
P3554
P5483
P12679
P4832
P7119
Atom ND2 of residue 103
P2197
P1718
P7009
Restraint 56
P5377
P7531
P5141
Atom C of residue 58
P2785
P7439
P4360
P1696
P8150
P8233
Atom OG1 of residue 9
P8531
P2126
P2691
P4917
P3142
Atom HD12 of residue 56
P8337
P9285
P3808
P5357
P3622
P5764
P4546
P3970
P6930
P3344
P5325
Atom HD21 of residue 71
P8075
P8804
Atom NE2 of residue 62
P4366
P4998
Atom CB of residue 62
P6719
P5322
Atom HE2 of residue 63
Atom C of residue 51
Atom HB3 of residue 18
P4999
P6542
P1603
Atom HE22 of residue 40
P6514
P3780
Atom OD2 of residue 32
P5583
P7438
P4157
P4551
Model 409
Atom HA of residue 60
P4389
Atom N of residue 27
P5736
Atom N of residue 36
P8528
P2485
P6384
P10642
P6794
P3092
P3786
P1519
P5952
P8234
P6727
P3221
P7560
P6203
P11354
P1785
Atom CE of residue 33
P8149
P5738
P7219
P6348
P6730
P3770
P5889
P2110
P148
P4761
P3
P4142
P6757
Atom O of residue 23
Atom HA of residue 14
Atom N of residue 104
P7832
P8084
P5208
Atom C of residue 32
P4039
P3941
P4522
P4856
P5957
P5323
P11931
P6363
P7625
Atom H of residue 44
P6544
P5342
P6572
P3847
P9930
P6442
P3722
P6356
Atom H of residue 32
P8805
P3071
P4113
P4833
P2875
P7930
P2686
P6421
P1325
P1719
P5378
P45
P4428
P145
P7364
Atom HA of residue 15
P5802
Atom HB2 of residue 64
P7373
P4351
P7691
P3846
P1907
P4989
P7440
P5027
P6793
P5224
P8235
P1444
P1950
P5114
P8532
P4427
P4918
P5322
P5727
P6422
P3049
P3555
P1697
P1324
P5484
P7120
P2691
P2198
P7850
Atom HG22 of residue 5
P5802
P4999
P5142
P252
P2245
P2786
Atom CD of residue 62
Atom C of residue 5
P8440
P2127
P1614
P5352
P86
P4361
P8151
P5000
P1604
P2692
P7010
P9286
P6916
P3623
Atom HZ3 of residue 11
P5765
P4547
P0
P3971
P6931
P3345
P1767
P3143
P1641
P0
P8076
P4367
Atom OG of residue 20
P5737
P12680
Atom HD22 of residue 71
P6385
P7532
P1930
P8236
P6515
P5323
P8340
P3809
P3781
P300
Atom O of residue 51
P8150
P4158
P6731
P1315
P6720
P6204
P4390
P4552
Atom O of residue 58
P7833
P3093
P1806
P3787
P1786
P1520
P7439
P5953
Atom CA of residue 118
Atom CB of residue 24
P3222
P7561
P10643
P11355
OptimizerState 7
P0
P7931
P3771
P8441
P5728
P5353
ListSingletonContainer277
P1
P7365
P1698
P4762
P5803
P4
P4143
P7374
P8085
P5209
P7692
P4040
P3942
P4523
P7708
P1331
P5358
P11932
P5584
Atom HG2 of residue 64
P6545
P6758
GLY
P2111
P3848
P9931
P6443
P5326
P13197
P8806
Atom HB2 of residue 62
P3072
P5485
P4114
P2876
P2687
Atom HD13 of residue 61
P5803
P4429
P6795
Atom HA of residue 32
P5739
P1951
Atom HG2 of residue 38
P4352
P3847
P5890
P8529
P5225
P5
P8237
P6728
P7220
P6347
P2199
P4428
P7011
P3050
P3556
P7441
P7626
P3
Atom CD of residue 2
P5001
Atom NZ of residue 33
P5344
P6573
Atom CD of residue 19
P1445
P2692
P1768
P1615
P5958
P5000
P5143
P2107
P2787
P6423
ASP
P4362
P7533
Atom HG2 of residue 38
P1931
Atom HA of residue 42
P1720
P4990
P2693
P3
P8341
P1642
P5863
P3624
P1807
P5028
P4548
Atom H of residue 20
P3972
P6932
P5115
P3346
Atom HB2 of residue 60
P8242
P6423
P6721
P6357
P6364
Atom HE3 of residue 63
Atom N of residue 12
P4368
P6794
P5738
Atom HG3 of residue 64
P12681
P4834
P7121
Atom CB of residue 58
UnaryFunction2
P2486
P5379
P6386
P7440
Atom CG of residue 24
P7851
P2128
P3810
P5359
P3782
P8152
P1521
P8151
P4159
Atom HA of residue 19
P7932
P6732
P4919
P5326
P9287
P4391
P13198
Atom HD21 of residue 8
P5766
P4553
P8533
Atom N of residue 62
P7709
P8077
P3094
P3788
Atom CG1 of residue 5
P5954
P0
P3223
P3144
P6205
P5327
Atom HB3 of residue 62
P1605
P2246
P6729
P7834
P3772
P6516
P8442
P8244
P5729
P5354
P146
P4763
P4144
P5740
P7375
Atom HD11 of residue 44
P5210
P7693
P5891
P4041
P3943
P8530
P4524
P5585
Atom HA of residue 12
P3849
P6444
P6358
P7366
P7627
Atom CG of residue 67
P5804
P3073
Atom H of residue 33
P4115
P6574
P4835
P2877
P2688
P5380
P7562
P4430
P11356
P6796
P39
P5144
Atom CA of residue 104
P6349
Atom OE1 of residue 62
P4353
Atom HB3 of residue 60
Atom C of residue 32
P3848
P61
P10644
P6365
P1699
Atom HG3 of residue 38
P5486
P5226
Atom O of residue 71
Atom HB2 of residue 42
P7221
Atom HG3 of residue 38
P8086
P4429
P4991
P4920
P2487
P5804
P5864
P3051
P3557
P11933
Atom HB2 of residue 32
P5029
P6547
P2108
P2693
P5116
P1
P1769
P6424
P9932
P5959
P8807
Atom HZ1 of residue 63
P1787
P6759
P7122
P2788
P1338
P1721
P7715
Atom HD23 of residue 71
P4363
P7534
P12682
P8534
P2694
JeffreysRestraint_P0
P2112
P3625
P1808
P8153
P5001
P4549
P3973
P6933
P6733
P3347
P1616
P5327
P9288
P3724
P4369
P5767
Atom CG of residue 42
P6795
P1932
P5002
Atom CD of residue 24
P6387
P6722
P8078
P7442
Atom H of residue 13
Atom CD1 of residue 3
Atom N of residue 65
Atom N of residue 72
P5343
P6730
Atom CG of residue 58
P1442
P7852
P8245
P3811
P5360
P3783
Atom HG2 of residue 62
P7441
P1606
P4160
P1952
P7835
P6422
P6517
P7012
Atom CG of residue 32
P0
P4392
P13199
Atom CD1 of residue 67
Atom HB2 of residue 19
P4554
P7376
P5211
P2129
P3145
Atom N of residue 72
ListSingletonContainer55
P177
P3095
P3789
P301
Atom HD22 of residue 8
P5586
P5739
P5955
P2247
P3224
P6206
P7367
P8087
P3773
P7563
P8339
P28
P3725
P6359
P11357
P6797
P4764
P4145
P8152
P5741
P6350
Atom NE2 of residue 62
P5892
P4042
P3944
P4525
P5487
P7222
P7933
P3850
P1643
P6445
P11934
Atom HB3 of residue 32
P7628
P3074
P4116
P6575
P4836
Atom C of residue 104
P2878
P2689
Atom HG23 of residue 61
P5381
Atom OD2 of residue 32
P9933
P4431
P5960
P1700
P8808
P1788
P4354
P3849
P5355
P10645
P2
P6366
P5227
Atom HD13 of residue 44
Atom HD21 of residue 60
P7694
P1915
P4430
P4992
P4921
P5865
P3052
P3558
P5030
P5002
P1314
Atom H of residue 60
P2694
P8443
P8531
P5730
P29
P5328
P1809
P5805
P6796
P6760
P7123
P2789
P6388
P4364
P8535
P7853
P2695
P1770
P1617
P3
P1644
P3626
P48
P8154
P4550
P5003
P3974
P6934
Model 180
P3348
P7013
P7710
P9289
P5805
P4370
P5768
SER
P5345
P12683
P1443
P6734
P2488
Atom OE2 of residue 16
P8079
P7443
P5740
P6546
P6424
P3812
P3784
P7535
Atom HA of residue 13
Atom H of residue 62
P5145
P1933
P4161
Model 363
Atom OE1 of residue 24
Model 22
P1722
P2546
P30
P4393
P2109
P8153
P2248
P1953
P7836
Atom HD2 of residue 38
P5117
P6425
P2113
P11358
P3096
P3790
Atom CD2 of residue 67
P5956
P1607
P4555
P7377
P7934
Atom O of residue 32
P8532
P3225
Restraint 53
ARG
P10646
P3
P5329
Atom CG of residue 33
Atom OD1 of residue 58
P8088
P3774
P2130
Atom O of residue 9
P7564
P6723
P5362
P7368
P4765
P4146
P5587
Atom HA of residue 60
ASN
P6351
P4043
P3945
P1911
P4526
P5328
P5356
P13201
P1823
Atom HG13 of residue 5
P7442
Atom HG3 of residue 42
P7695
P8246
P3851
P6446
ListSingletonContainer466
P6798
P11935
P49
P3075
P5488
GeneralizedGuinierPorodFunction 25
P4117
P2879
P2690
P8444
P5731
P9934
P179
P4432
P6207
Atom HD2 of residue 63
P5806
Atom HB3 of residue 64
P6761
P7223
P1385
P5316
P4355
P6518
P3850
Atom H of residue 32
P6426
Restraint 1
P6360
P5228
P5742
P4870
P5893
P4431
P3146
ListSingletonContainer154
P5961
P3053
P3559
P2695
P5212
P7711
P5806
P7629
P5146
P254
P5346
P6576
P12684
P6731
P2790
Atom HD22 of residue 60
Atom CB of residue 32
P1912
P1771
P5382
P7444
P4365
P5003
Atom HD3 of residue 38
P6425
P2696
P3627
P6368
P7536
P4551
P1522
P6797
P5004
P3975
P6935
Atom OE2 of residue 24
P3349
P4993
P4922
P5329
Atom H of residue 16
Atom CA of residue 72
P5866
P5031
Atom HB3 of residue 54
P4371
Atom HB3 of residue 38
Atom N of residue 45
P7854
P7014
P2114
P3726
P8809
Atom HA of residue 62
P1789
P1934
P5741
P7124
P7935
P7
P1723
P3813
P3785
P2110
P4162
Atom OD2 of residue 58
P8537
P6519
P4394
P1824
P8155
P5588
P8154
P2249
Atom O of residue 104
P2568
P9290
P3097
P3791
P5769
P6543
P5957
Atom HD2 of residue 42
P4556
P1386
P5213
P2
P8247
Atom CZ of residue 54
P8533
P3226
P6799
P8080
P5330
P6735
P3775
P5118
P2489
P6389
P6724
ListSingletonContainer426
P4766
Atom HB2 of residue 67
Atom HA of residue 12
P4147
P1608
P7224
P6352
P4044
P3946
P4527
Atom CG of residue 37
Atom HB2 of residue 60
Atom O of residue 25
P7443
P6577
P5743
P7696
P5894
Model 240
P1618
P3147
Atom O of residue 32
P3852
P6447
P5962
P11359
Atom HG2 of residue 54
P4118
Atom CB of residue 14
P1954
P2880
P7837
P5732
P4433
P6208
P6361
P7630
P8810
P5807
P1523
P6732
P7378
Atom CG of residue 62
P4356
Atom N of residue 61
P3851
P5383
P7712
P6427
P7565
Atom HD3 of residue 63
P5229
P255
Atom CA of residue 72
P4871
P4432
P3054
ListSingletonContainer307
P5361
P7369
P3560
P6798
P6762
P2696
P8089
P6426
P4994
P4923
P5807
P5867
P13200
P11936
P5032
P302
P5147
P5347
P2791
PHE
P7855
P9935
P4366
P1790
P5489
P7125
Atom CG of residue 32
P8445
P2131
P1
P2697
P5357
Model 283
P3628
P7537
P4552
P2
P3976
P1313
P6936
Atom N of residue 39
P3350
P0
P5330
P7445
P8156
P4372
Atom N of residue 105
Atom CE2 of residue 59
P9291
P97
P1645
P6390
P10647
P2812
P1439
P5770
P5409
P8248
Atom NH1 of residue 54
Atom HD3 of residue 72
P3814
P3786
P8081
P5004
P4163
P6520
P7015
P1619
P2490
P6725
P4395
Atom HB3 of residue 67
P5005
Atom H of residue 58
P6353
P2569
P6367
P3098
P3792
P5589
P7444
P5958
P4557
P5214
P3227
P2115
P5742
P1609
Atom NE2 of residue 31
P1387
P6736
P3776
Atom HE2 of residue 33
P1948
P1772
P3727
P6800
P4767
P4148
P6733
P7936
P8446
P4045
P3947
P4528
P7566
P58
P5358
P6209
P11360
P3282
P2111
P8155
P6578
P5744
P7225
P1955
P8536
P5895
P3853
P6448
P6
P387
P6763
P4119
P12685
P2881
P7842
P8090
Atom CB of residue 32
P4434
P5963
P5331
P11937
P7631
P1810
P8811
Atom HG3 of residue 54
P1935
Atom HB3 of residue 60
P1602
Atom CB of residue 72
Atom OG1 of residue 14
P7379
P4357
Atom C of residue 51
P3852
P3148
P9936
P5363
P5230
P4433
P1724
P8534
P3055
P7370
P3561
P13202
Atom H of residue 31
P2250
P2697
P5119
Atom HB2 of residue 24
P6427
P3351
P7697
P1924
P4995
P7713
P5868
P7446
P5033
P6799
P5348
P2792
Atom H of residue 56
P2132
P5733
P1646
P4367
P5808
P5490
P7126
P7856
P2698
P6428
Atom C of residue 72
P147
P3629
Atom HD13 of residue 44
Atom HB2 of residue 20
P5005
P5771
P4553
P5149
P3977
Atom HB3 of residue 42
P6937
P7016
GLY
P8157
P4373
P1791
P5006
Atom OG of residue 72
P7838
Atom CB of residue 51
P9292
P6391
P5808
P10648
P6362
P2813
P4838
MET
P5384
Atom C of residue 31
P52
P3815
P3787
P8082
Atom HG2 of residue 24
P5743
P4164
P6737
P1620
P4396
P6369
P7538
P7937
P4529
P4924
P5331
P2570
P3099
P1811
P3793
P5959
P8156
Atom HB3 of residue 24
Atom CA of residue 32
P8243
P3228
P1773
P6726
ListSingletonContainer459
ListSingletonContainer555
P3777
P1725
P5332
P4768
P4149
P1936
Atom HD21 of residue 60
P7445
P2112
P7380
P8538
P6521
ILE
P8447
P4046
P3948
P7567
P5359
P5364
P11361
Atom HB3 of residue 20
P6
P1524
P3283
P12686
P4558
P8535
P3854
P6449
P7371
P13203
P1603
Atom HA of residue 31
P4120
P2882
P8091
P5215
P5120
P6428
P7698
Atom O of residue 72
P2116
P4435
P6210
P6363
P11938
P5590
P6764
P5349
Atom HG13 of residue 17
Atom HA of residue 58
Atom HA of residue 56
Atom HE3 of residue 33
P4358
P3853
P5896
Atom CA of residue 53
P2491
P5385
P5734
P9937
Atom HG2 of residue 72
P5809
P5491
P5231
P2251
P1388
P7839
P4434
P6429
P3056
P3728
P3562
P6801
Atom N of residue 45
P5745
P6734
P2698
P6354
P3352
P2133
P4925
P3149
P7714
P7226
P2793
P5809
P7447
P4368
P7632
P8812
P1610
P6579
P4839
Atom HD12 of residue 44
P2699
Atom O of residue 31
P5964
P3630
P303
P5006
P4554
P3978
P6938
P1956
Atom HA of residue 2
P49
P6370
P7539
P4374
P5007
Atom HG2 of residue 42
Atom HA of residue 54
P4996
P5332
P5869
P5034
P2814
ListSingletonContainer586
P12687
Atom CA of residue 61
Atom CG of residue 51
P6727
P3816
P5
P3788
P1792
P1525
Atom HD22 of residue 15
P6800
P5744
P4165
P7127
Model 139
P1925
P4397
P5772
Atom HG3 of residue 24
P7446
P8539
P6522
P7857
P4530
P2571
P3100
P3794
Atom H of residue 67
P8158
Atom HD2 of residue 54
P5960
P8157
P7938
P6738
P3229
P9293
P6393
P5365
P1389
P3778
P5216
P5121
Atom HG2 of residue 24
P8083
P6920
P4769
P4150
P5148
Atom HG21 of residue 17
P6735
Atom HB2 of residue 58
P6355
P7699
P5897
P4047
P3949
P7017
P1621
P2651
Atom HG3 of residue 72
P3284
P2252
P4559
P7840
P1726
P3855
P6450
P10649
P3729
P13204
P4121
P5746
P7381
P2883
Atom C of residue 53
P4436
P6211
P6364
P5591
P388
P4359
P3854
P5386
P5735
P179
P7633
P8813
P5810
P5232
P6580
P4840
LYS
P4435
P3150
P6430
P7568
P9479
P5360
P3057
P148
P3563
P11362
P6802
P2699
P1957
P3353
P2134
P1774
P4926
Atom CB of residue 72
P7372
P181
P5492
P1611
P7227
P2794
P8092
P8448
Atom HB2 of residue 54
P4997
P8536
P2492
P5810
P5870
P5333
P11939
P4369
P5035
P1937
P1604
P2113
P2700
P2117
P9938
P5965
P10650
P3631
Atom HG2 of residue 37
P1323
P4555
P6765
P3979
P7128
P6939
Atom HD2 of residue 33
P6371
P7540
P4375
P5773
Atom C of residue 61
P8159
P1793
P2815
P1542
P6739
P3817
P3789
Atom C of residue 45
P1812
P6801
Atom HG21 of residue 12
P5350
P4166
P6728
P4398
P8084
P6921
P182
P7448
P5007
P5150
Atom HB2 of residue 31
P8540
P6429
P7858
P4531
P7018
P2572
P52
P3101
P3795
P5008
P7447
P5961
P12688
Model 198
P3230
P5366
Atom HA of residue 67
P7382
P3779
Atom H of residue 24
Atom N of residue 51
P8537
P5336
P4770
P4151
P5592
P5745
P6356
Atom HB2 of residue 56
P4048
P3950
P9294
P2652
P10651
ILE
P3285
Atom HG22 of residue 17
P4560
P1390
Atom CA of residue 29
P1926
P7716
P5333
P7569
P5361
P3856
P6451
P11363
P6803
P13205
Atom CA of residue 7
P4122
P2114
P8158
P5747
P2884
P7841
P5898
P1775
P4437
P5493
P7228
P7939
P8093
P4360
P3855
P8449
P1727
P6392
P11940
P7634
P1938
P5233
P1605
P6581
P6523
P7700
P4436
P6431
P9939
P5966
P3058
P3564
P2253
P2700
P5122
P6430
P3354
P2493
P1813
P5351
Atom HB3 of residue 58
P2795
P5217
P4998
P2118
Model 51
P6212
P5871
P3730
Model 87
P6365
P180
P4370
P5036
P1
P4841
P1958
P2701
P5387
P5736
P7373
P3632
Atom O of residue 45
P5811
P4556
P6802
P6766
P3980
P7129
P6940
Atom O of residue 53
P6922
P6372
Atom HZ3 of residue 48
Atom HG3 of residue 37
P40
Atom HB3 of residue 31
P4376
P5008
P5774
Atom HB3 of residue 31
Atom HD3 of residue 33
P7859
P4927
P5336
P8160
P2816
P5009
P6736
P3151
GLN
P5811
P3818
P3790
P8814
Atom H of residue 27
P5151
P7
P1612
P4167
P6740
P2
Atom CG of residue 72
P4399
P8085
P7449
Atom HD3 of residue 54
P1526
Atom HG22 of residue 12
P5746
Atom HB3 of residue 56
P8541
P6524
P2573
P5367
P3102
P7541
Atom HD2 of residue 72
P3796
Atom CA of residue 61
P5962
P12689
Atom HD11 of residue 15
Atom HA of residue 24
P3231
P7019
P13206
P8159
P3780
P5218
P8538
P5337
P4771
Atom CG of residue 25
P4152
P7383
P4049
P3951
P2135
P4532
P7
P9295
P2653
P304
P3286
P4561
P1391
Atom NH2 of residue 54
P7717
P6432
P7570
P3857
P6452
P6729
P11364
P5593
P4123
P2885
Atom N of residue 37
P5123
P1728
P1622
ListSingletonContainer56
P6394
P4438
P1794
P7448
P7940
P8094
P4361
P7701
P3856
P6366
P6804
P11941
P8815
P1335
P5494
P5234
P1606
P4842
P6358
P4437
P1776
P5388
P5737
P9940
P3572
P7374
P3565
P2052
P5812
P6767
P7229
P2701
P6431
P3355
P2494
P6373
Atom N of residue 49
Atom ND2 of residue 25
Atom HG2 of residue 31
P1939
P5352
P2115
P5748
P6737
P2796
P2050
P5899
P4928
Atom CD of residue 72
P5967
P6213
P4371
P1527
Atom N of residue 59
P1959
Atom O of residue 8
P2702
P5812
P3633
P7635
P4557
Atom HB2 of residue 27
Atom HD3 of residue 27
P3981
P6582
P6941
P8450
P2119
P5362
P6923
Atom N of residue 73
P7450
Atom HE of residue 54
P4377
P5009
P2254
P8542
Atom H of residue 53
P5337
ListSingletonContainer540
P7542
P2817
P6803
P5010
GaussianProcessInterpolationRestraint 36
P1913
P4999
P46
P5872
P3819
P3791
P5037
P5152
P4168
P7860
P3152
Atom CA of residue 31
P3731
P4400
P5747
P1613
P7130
Atom CA of residue 37
P6525
P2136
P4533
P2574
P10652
P3103
P3797
P5775
P389
P5963
P3232
P8161
P5594
P8160
P12690
Atom HD12 of residue 15
P3781
Atom CG of residue 67
P0
P6395
P4772
P4153
P7941
P4050
P3952
Atom H of residue 54
P7020
P2654
ListSingletonContainer463
P6805
P8086
P3287
P4562
P6741
P5219
P8451
P1914
P1623
P5363
P3858
P6453
P1795
P4124
P7230
P1392
P2886
P7718
P4439
Atom HE2 of residue 27
P7449
P5749
P6738
P4362
P7702
P3857
P5900
P9296
P6730
P5968
P5338
P8816
Atom HD3 of residue 72
P5235
Atom CB of residue 8
Atom HB3 of residue 28
P4438
P5738
P6214
P7375
P3566
PHE
P7636
Atom H of residue 25
P5813
P6583
P2702
P7384
P7843
Atom CD1 of residue 67
P3356
P8539
P8489
P7571
P5368
P11365
Atom HD22 of residue 60
P1607
P2116
P2797
P1777
P3732
ListSingletonContainer427
P13207
P4372
P1814
P6804
P6768
P8095
P5000
P2703
Atom NE of residue 72
P5813
P5873
P3634
P11942
P5038
P4558
Atom NH1 of residue 74
P3982
P6942
TYR
P1960
P7861
P8232
P8563
P9941
P4378
P5495
P7131
P6357
Atom HD12 of residue 56
P5124
P4534
P6433
P10653
P7543
P2818
P5776
P5354
Model 46
P2495
P3820
P6367
P3792
P8087
P7451
P8162
P5153
P4169
P4843
P6432
P2137
P5389
P4401
Atom HB of residue 17
P1729
P7021
P2575
P3573
P6924
P3104
P3798
P5010
Atom CG of residue 42
P5964
P3233
P4929
P5338
P6374
P5011
GaussianProcessInterpolation68
P2255
P12691
P3782
Atom HB of residue 9
P8233
P2120
P6396
P4773
P4154
P5595
P7450
P4051
P3953
P1825
P9297
P2655
P6731
P5369
P5339
P5748
P3288
Atom N of residue 19
P4563
P6742
P6526
P8452
P3153
P69
P5364
P3859
P6454
P7376
P6806
P13208
P1815
P4125
P2887
P7942
Restraint 38
P8543
Atom HB2 of residue 27
P8540
P7719
P7572
P4440
P11366
Atom C of residue 49
P305
Atom NH2 of residue 74
P8161
P5750
P7231
P4363
P3858
P5901
P6368
P5236
P6769
P1614
P4844
P6739
Atom HD13 of residue 56
P8096
P5125
P4439
Atom HA2 of residue 53
P5390
P5969
P3567
P11943
P7637
Atom N of residue 61
P1608
P2117
P6584
P2703
P7385
Atom C of residue 37
P5221
P3357
Atom N of residue 29
P5001
P1778
P8234
Atom HE of residue 74
P9942
Atom CA of residue 45
ClosePairContainer
P6359
P2798
P7844
Atom CD2 of residue 67
P4930
P6434
P6215
P4373
P1796
Atom CD of residue 27
P7703
P2704
P5874
P10654
P3635
P151
P7452
P1816
P5039
P8817
P4559
P1528
P6805
P5154
P3983
P6943
Atom CA of residue 2
P6433
Atom HG2 of residue 27
SER
P5739
P6375
Atom HE of residue 72
P5814
Atom HA of residue 31
P4379
P5496
P7132
Atom HG11 of residue 17
P4102
P7862
P4535
P6925
P5011
P2819
P1539
P8488
P5339
P3821
P3793
P8088
P8163
P5012
P4170
P1730
P8235
P5814
P4402
Atom HG22 of residue 7
P5777
P12692
P8544
P2576
P3105
P3799
P5749
P5965
P2256
P6743
P6527
P2138
P3234
P2496
P3154
P73
P3733
P7544
Atom CA of residue 59
Atom HB3 of residue 37
P1961
P7943
P3783
Atom HA3 of residue 53
Atom C of residue 65
P6397
Atom O of residue 49
P4774
Atom O of residue 25
P4155
P5353
P8162
P4052
P3954
Covariance1DFunction 29
P7720
Atom CZ of residue 72
P9298
P2656
P6732
P5370
P3289
P1615
P4564
P1624
P3860
P6455
P13209
Atom HG3 of residue 27
P7451
P4126
PRO
P7386
P2888
P8236
Atom HH11 of residue 74
P7573
P4441
P7377
P11367
P1529
P6360
P4364
P3859
P5365
P3574
P6369
Atom H of residue 74
P5237
GridCPF
P4845
P2139
P8097
P5126
P7704
P4440
P7022
P5391
P6435
P2121
P10655
P3568
P11944
P8818
P41
P5596
P6770
P2704
Atom HD21 of residue 56
P3358
Atom HG3 of residue 27
P5740
P9943
Atom C of residue 73
P5815
P1797
P5497
P390
P2799
Atom HB2 of residue 37
Atom HG12 of residue 17
P1
P4931
P6216
P6807
P6376
P4374
P1540
P5751
Atom CG of residue 1
P8453
P5902
P2705
P8541
P8490
P3738
P3636
P5334
P4560
P3984
P7232
P6944
P0
P5815
Atom HG2 of residue 2
P7453
P7638
P4380
Covariance1DFunction 77
P6585
P6740
P4103
P5002
P1625
P5970
P6926
Atom HB2 of residue 31
P5012
P2820
P5220
Atom NH1 of residue 72
P3822
P0
P3794
P7545
Atom N of residue 25
P5013
P4171
P1916
P8237
P6398
P5875
P4403
P5040
P7845
Atom H of residue 67
P8545
P2577
P6733
P3106
P3800
P6806
P5750
P1609
P5966
P2118
P7133
Atom C of residue 59
Atom HG2 of residue 37
P1962
P6434
P4536
P3235
P1779
P8491
P7452
P5355
P12693
P3784
P7863
P4775
P8164
Atom CG of residue 2
P4156
P8163
P2257
P7944
P6744
P4053
P3955
P8542
P3155
P5366
P2657
P3575
P1817
P42
Atom O of residue 73
P5778
P5155
P3290
P1616
P4565
P1731
P7023
P3861
P6456
P66
P8089
P1568
P4127
P2889
P7721
P5334
P4442
ListSingletonContainer337
Atom HD2 of residue 27
Atom HG of residue 56
P4365
P3860
P2122
P5238
P5752
P7387
P7705
P8454
P5903
P2139
P4441
P9299
P5372
P3569
P152
P5597
P2705
P6361
P3359
P6528
Atom O of residue 14
P2497
P5741
P3734
P13211
P7639
P5816
Atom HA of residue 74
P6586
P2800
P7574
P11368
P182
P6808
P4375
Atom CA of residue 64
Atom HG1 of residue 9
P2706
P8492
P6370
P7378
P3637
P5335
Atom HD22 of residue 69
P4561
P5498
P3985
P4846
P7233
P6945
P8098
P5128
P6435
P5003
P5392
Atom HH12 of residue 74
P6437
P5816
P5876
P11945
P5041
P4381
P6741
P5222
Atom HA of residue 67
P9944
P5971
GLN
Atom HG13 of residue 3
P2821
P6771
P1541
P7134
Atom O of residue 59
P7846
P1917
P4932
P6217
P3823
ListSingletonContainer338
P3795
P6377
P7546
P306
P5156
P5356
P4172
Atom CE1 of residue 3
Atom NH2 of residue 72
P4404
P8819
P8165
Atom CA of residue 25
Atom HB2 of residue 74
P1610
P2119
P6745
P1780
P2578
Model 97
P3107
P3801
P5779
P6807
P5967
P6529
P2051
Atom NZ of residue 27
P4537
P3236
P6734
P8090
P6927
P1334
P7454
P5013
P12694
P3785
P7864
P1818
P4776
P1798
P4157
P5598
P5014
P7453
P4054
P3956
P1732
P8543
P2498
P2658
P3576
Atom O of residue 15
P3291
MovedSingletonContainer8
Atom OG of residue 20
P4566
P7388
Model 158
P8547
Atom HA of residue 71
P8493
P86
P3862
P6457
P10656
P3735
GaussianProcessInterpolation61
P5751
P4128
P2890
P7024
P3156
P7722
Atom HG2 of residue 64
P5335
P4443
P1617
P4847
P4366
P3861
P7575
P9300
P11369
P6809
P1530
P5239
P8164
P5753
Atom HD11 of residue 56
Atom HG21 of residue 9
P5904
P4442
Atom C of residue 5
P6399
P6371
P3570
P8820
Atom CD1 of residue 73
P5499
P1542
P7234
P2706
P1963
P6362
P7945
PRO
P8099
P6436
P3360
P5393
Atom HH21 of residue 74
P2123
P11946
P7640
Atom C of residue 64
P6587
P2258
P6742
P2801
P5223
P1627
P9945
P5972
Restraint 593
P5070
P4376
Atom H of residue 20
P7847
P1918
P2707
P4933
P10657
P7379
P3638
Atom HE22 of residue 2
P4562
P3986
P7135
P6946
Atom CB of residue 14
P7706
P5004
P2499
P3157
P5877
P5042
P4382
Atom CG2 of residue 61
P8455
P2140
P5742
P5367
P5371
P181
P6378
P5817
Atom HH11 of residue 42
P1799
P2822
P6808
Atom HG21 of residue 7
P6772
P6218
P3824
P3796
P6928
P13210
Atom CA of residue 49
P5014
P5157
Atom HB3 of residue 74
P5357
P4173
Atom CB of residue 59
P7865
Atom CA of residue 39
P83
P4405
P8166
P5015
Atom HG2 of residue 11
P2579
P49
P5817
P3108
P3802
P5780
P5968
P6746
P5127
P6530
P4538
P3237
Atom HB2 of residue 71
P6436
P8091
Atom HD23 of residue 69
P7455
Atom O of residue 64
P1531
P391
P5752
P3786
Atom H of residue 27
P6400
P7547
P4777
P4158
P8456
P4055
P3957
P2659
P3577
P182
P3292
PairScore 11
P8165
P4567
Atom HD12 of residue 23
P4934
P3863
P6458
P5071
Atom CD2 of residue 73
Atom CB of residue 15
P1618
P4129
P1964
P7389
P6363
P2891
P1919
P1781
P5368
P4444
P12695
P4848
P4367
P3862
LYS
P7576
P9301
P6735
P11370
P2
P5240
P2120
P4443
P7025
P5071
P10658
P7380
P4595
P8821
Atom HH21 of residue 42
Atom HB3 of residue 24
Atom HG22 of residue 7
P7454
P2707
P7946
P8100
P3361
Atom HD13 of residue 23
P7707
P1
P6810
P11947
P43
P5500
Atom HA of residue 20
P2802
P5224
P8546
P8544
P7723
Atom CD of residue 2
P5743
P2611
ListSingletonContainer68
P9946
P4377
P5818
P6773
P1543
P7235
P2708
P1628
P3639
P4563
P1
P3987
P5754
P6743
P6947
Atom CG of residue 7
Atom HG of residue 67
P6437
P5905
P2141
P3158
P5973
P6219
P3736
P5373
P4383
Atom C of residue 29
Atom H of residue 72
P5818
P13212
P7641
P2823
P1613
P6588
Atom C of residue 39
Atom HG2 of residue 19
P3825
P3797
P6929
P7456
P5015
P5599
P5358
P4174
P2259
Atom HD13 of residue 23
P8457
Atom C of residue 7
P2124
P6372
P4406
P7548
P1800
P6809
P5016
P7136
P5129
P5005
P5394
P6438
P5878
P3109
P5043
P3803
P307
Atom HH of residue 59
P5969
GLU
P7866
P3238
Atom C of residue 48
P5072
P5753
P3787
P42
P6401
P6379
P4778
P4159
P5159
P4056
P3958
P2660
ListSingletonContainer240
P3578
P8167
P3293
P2121
P8166
P4568
Atom HG3 of residue 19
P4539
P1782
P7026
P5072
P3864
P6459
P4596
P5781
P4130
Atom CG of residue 59
P2892
P7947
P6531
Atom HH22 of residue 74
Atom HA of residue 72
P5369
P4445
P6811
P8092
P12696
P6747
P4368
P3863
P8545
P2612
P6736
P5241
P7236
P1965
P7848
Atom H of residue 17
P4444
P1736
Atom CB of residue 48
P6373
Atom C of residue 12
Atom CB of residue 64
Atom N of residue 3
P7455
P5755
P4849
P6744
P2708
Atom HD11 of residue 67
P8548
P6438
P3362
Atom C of residue 19
P7708
P5906
P4938
P5395
P5974
P10659
P5374
Atom CG of residue 24
Atom HG2 of residue 74
P5225
Atom O of residue 29
P7724
P5744
P7381
P13213
P4378
P7642
P5819
Atom HZ1 of residue 11
P6589
P7390
P1327
P2709
P7577
P9302
P3640
P11371
P11948
Atom N of residue 70
P4564
P5359
P3988
P6948
Atom N of residue 75
P8822
P4384
P6810
P1614
P6774
P1544
Restraint 152
P8101
P5130
P1920
P5006
P6439
ListSingletonContainer160
P5819
P5879
ListSingletonContainer541
P6380
P5044
Atom N of residue 60
P2824
P1619
P2260
P6364
P3060
P7849
P7867
P2142
Atom HB3 of residue 71
P9947
P6220
P3826
P3798
P5600
P5501
P4175
P7137
PHE
P2500
P4407
P7549
Atom CD1 of residue 59
P1327
P15
P3737
P7457
P3110
P3804
P8168
Atom HH22 of residue 42
P5970
P3239
P3159
P2613
P5073
Atom OE1 of residue 24
P1801
P5782
P392
PairsRestraint 10
Atom HE2 of residue 11
P3788
P6532
Atom CA of residue 24
P3
P8093
P6930
P4779
P5016
P1532
P4160
Atom O of residue 19
Atom HD2 of residue 19
P4057
P3959
P2661
P6737
P3579
P5017
P3294
P12697
P4569
P3571
P1737
P4540
Atom HG of residue 71
P5073
P2125
P3865
P6460
P4597
Atom SG of residue 64
Atom O of residue 11
P7456
P4131
P4850
P2893
Atom O of residue 29
P8549
P8458
P4446
Atom HG3 of residue 74
P5754
P2122
Atom CA of residue 42
P6748
P5226
P4369
P3864
Atom HB2 of residue 72
P6403
Atom CG of residue 48
P7382
P6812
P5242
P7948
P4445
P7725
P7578
P9303
P6374
P11372
P11949
VAL
Atom HE3 of residue 11
P5158
P8167
P5756
P7237
P2709
P6365
Atom HA of residue 17
P6439
P3363
P5907
P5396
Atom HB2 of residue 6
P87
P5375
P8823
P6775
P6745
P1966
P8102
P5370
P5975
P0
P13214
P4379
P7643
P1620
P6590
THR
P7391
P7850
P1921
P2710
P2501
P9948
P3641
P5045
Atom N of residue 43
P4565
ModelScoringFunction25
P1545
P3989
P6949
P8546
P7027
P1626
P4385
Atom CE1 of residue 45
P5131
Atom HD3 of residue 38
P7709
P5007
GLY
P6440
P5880
P6381
P7458
P2825
P1533
P6811
Atom HG11 of residue 5
P3
Atom HZ2 of residue 11
P1783
P4937
P5745
P6221
P3827
P10660
P3799
P5820
P5502
P4176
P7138
Atom HB2 of residue 67
P7868
P4408
P6931
P5017
P1611
P2261
Atom HG23 of residue 23
P3160
P153
P3111
P3805
P8169
P5018
P5971
Atom CD2 of residue 59
P3240
P2581
P5820
Atom CB of residue 11
P5783
P3789
P8459
P8094
P4780
P1802
P4161
P5755
P6749
P1813
P7733
P4058
P3960
P2126
P2662
ListSingletonContainer344
P3580
ModelScoringFunction10
P7550
P8367
P3295
P5360
P4570
P7949
Atom CB of residue 19
P8547
P4541
Atom HB2 of residue 28
P3866
P6461
P4598
P4132
P8168
Atom O of residue 42
P8550
P1733
Atom HD11 of residue 71
Atom HB3 of residue 6
P6738
P4447
P5074
Atom N of residue 14
P5601
Atom HE1 of residue 4
P12698
P3061
P4370
Atom C of residue 24
P3865
P5371
P5160
P5243
P7457
P7392
P1922
P4446
P7579
P9304
P7383
P11373
P2123
P2710
P1967
P6366
P6440
P3364
Atom HE21 of residue 31
P7028
P5074
P9949
P5376
P308
P8103
P6533
P7726
P13215
P11950
P4380
ASN
P6776
Atom OD2 of residue 87
P2711
P1784
P5746
P3642
P5821
P4566
P5503
P3990
P4851
P6950
Atom HA of residue 17
P7851
P6402
P13
P6375
P6813
Atom O of residue 24
LEU
P4386
Atom C of residue 12
P5602
ScoreState 36
P5757
P5132
P5908
P5397
P6441
P4223
P2826
P7238
Atom CB of residue 29
Atom HB3 of residue 67
P5821
P3828
P10661
P3800
Atom CA of residue 70
P7459
P7644
P7551
Atom C of residue 16
Atom HB3 of residue 40
P5361
P4177
P6591
P6746
P5227
P7710
P8460
P5976
P4409
P6932
P5046
P5018
P1612
Atom C of residue 42
Atom O of residue 6
Atom N of residue 57
P3112
P8824
P3806
P8368
P5019
P5972
P5008
P3241
P2582
Atom HB3 of residue 72
ASP
P5881
P6383
Atom HZ1 of residue 11
P3790
P1814
P6534
P4936
P6739
P6222
P5075
P4781
P4162
P6812
P5756
phys
P7139
Atom C of residue 21
P4059
P3961
P1734
Atom CA of residue 75
P2663
P3581
ListSingletonContainer309
Atom CG1 of residue 36
P5161
P393
P7458
P3296
P1621
P1546
P4571
P7869
P8548
P4542
P3867
P6462
P8170
Atom CA of residue 60
P10
P5603
Atom HG3 of residue 40
P4133
P8169
P7950
Atom N of residue 88
P6750
P8551
P6441
Atom O of residue 24
Atom HE22 of residue 31
P5075
P2127
P4448
P5377
P5784
P0
P0
P2262
P12699
P4371
P3866
P6376
P8095
P13216
THR
P5244
P2124
Atom CE1 of residue 59
P2143
P4447
P4599
P44
P4852
P2711
P3365
P1923
P3739
P8825
P5758
P7393
Atom O of residue 21
P5228
P5133
P5909
P7029
P2502
P5398
P7727
P6442
P4381
P1534
Atom HB of residue 17
P2712
P5747
P6404
ListSingletonContainer218
P10662
P3643
Atom CB of residue 24
P7645
P5822
P1803
P4567
Atom O of residue 16
P3991
P6592
P6951
Atom C of residue 6
Atom HD12 of residue 71
P2630
P7580
P9305
P11374
P6814
Atom CG2 of residue 36
P4387
Model 128
P6368
P3062
P1785
Model 237
SER
P9950
P7384
P4224
P154
Atom C of residue 70
P2827
P5504
P7239
P8104
P5009
P78
P5372
P5822
P5882
P3829
P3801
P11951
P7552
P5047
P1622
P5362
P4178
P6747
P7711
P4410
P6777
P1
P7140
Atom HZ of residue 4
Atom HG12 of residue 44
P2144
Atom HG2 of residue 18
P3113
Atom HZ3 of residue 11
P3807
P8369
Atom HH12 of residue 42
P2067
P5973
Atom C of residue 78
P1968
P7852
P3242
P2583
P5977
P8171
P1
P6751
P3791
P8552
P6535
Atom C of residue 75
Atom HG2 of residue 72
P6223
P5076
P4782
P5785
P4163
P6813
P1547
P4060
P3962
P1735
P2664
P6740
P3582
P8096
P6933
P7460
Atom HD13 of residue 3
Atom C of residue 60
P5019
P5162
Atom HE21 of residue 40
P3297
P4572
Atom CE2 of residue 59
P7870
P4543
P4935
P2503
P3868
P6463
P1535
P5020
P7459
P4134
Atom HB of residue 9
P5076
P4449
P7394
ILE
Atom HG13 of residue 44
P4372
P3867
P2631
P5373
P6377
P6382
P8826
P5245
P5757
Atom HD22 of residue 43
P1978
P4448
P6405
P4600
P47
P4853
P2712
Atom CA of residue 21
Atom CB of residue 21
P3366
Atom HD13 of residue 71
P7581
P9306
Atom O of residue 53
P11375
P6815
P8170
P5759
P3063
P5229
P1815
P5910
P1933
P4
P4382
P1804
P5505
Atom CG of residue 8
P12700
P7240
P7951
Atom CB of residue 2
P8105
P2713
P8549
Atom HG3 of residue 72
P3740
P152
P3644
P11952
P7646
P309
P4568
P3992
P6593
P2263
P6748
P6952
P7030
P9951
P8365
P4388
Atom CB of residue 16
P10663
P7385
P4225
Atom CD1 of residue 36
P2828
P2068
P6442
Atom H of residue 13
P5010
P7728
P5978
P5883
P3830
P5378
P3802
P6934
P5048
P4179
P1786
P5748
P4411
P13217
P5823
P6814
P6778
P2125
P7141
P1969
Atom N of residue 24
Atom HG2 of residue 31
P6224
P3114
P3808
P5020
P5974
P1623
P7853
P7871
P1932
P3243
Atom HG3 of residue 18
P5399
P2584
Atom HG22 of residue 30
P8172
P5604
P5021
P1316
P6367
Atom N of residue 5
P3792
P5134
P7712
P6443
P5823
P4783
P5786
P4164
P5364
P6752
P4061
P3963
P2504
P41
P2665
P3583
P8097
P7461
Atom N of residue 14
P5163
P5758
P3298
Atom CB of residue 78
P4573
P4544
Atom HG21 of residue 70
P3869
P6464
P7553
P4135
Atom CZ of residue 59
Atom O of residue 4
Atom CB of residue 53
P4450
P6384
P394
P8171
P4373
P1816
P6536
P3868
P5374
P3741
P5077
P1536
P5246
P7395
Atom HG21 of residue 44
P1927
P4449
P8550
P6406
P4601
Atom O of residue 70
P8366
P4854
P2713
P1979
P6443
P3367
P7031
P7582
P9307
P6741
P5379
P6378
P11376
Atom HG1 of residue 9
P8489
P3064
Atom HG2 of residue 63
P2145
Atom CA of residue 57
P5400
P5077
ListSingletonContainer153
P10664
P7386
P13218
P4383
Atom O of residue 60
Atom HE22 of residue 40
P7460
P1548
P12701
P7952
Atom CD1 of residue 88
P8106
P8553
P2714
Atom HG23 of residue 70
P3645
P6816
P11953
P8827
P4569
P5506
P3993
P5760
P6953
P5749
P9952
P5824
P4389
P6779
P2264
P7241
P5135
P6444
Atom HD2 of residue 72
P6225
P4226
Atom HA of residue 3
Atom HA of residue 36
P2829
P6749
P7854
P5231
P5911
P1928
P1787
P7729
P5979
P3831
P3803
P6935
P7462
P5605
P2126
P4180
Restraint 51
P2505
P2128
P174
P5824
P4412
P7647
P1805
P2069
P6594
Atom HD3 of residue 11
Atom CB of residue 70
P3115
Atom HB3 of residue 16
P3809
P5021
P5164
P5975
P6369
PairPredicate 5
P7713
Atom HG3 of residue 31
P3244
P2585
P7554
P6815
P5022
P3793
P5011
P5884
P6385
P4784
P5049
P4165
P1624
P6537
P7872
P4062
P3964
P2666
P3584
P5078
GaussianProcessInterpolationRestraint 22
P5759
P3299
P4574
P7142
Atom HE2 of residue 11
P4545
P2632
P3870
P6465
THR
P4136
P4855
P8554
P0
P4451
P6379
P8173
P1806
Atom HG21 of residue 9
P8172
P4374
Atom HG3 of residue 63
P3869
P1929
P5078
P45
Atom CB of residue 60
P5787
P5247
Atom N of residue 41
P1970
P7953
Atom N of residue 89
P4450
P1332
P2129
P6407
P176
P4602
P6817
P8098
P5363
P12702
P5761
P2714
P6753
P6444
P1817
P3368
P2146
Atom N of residue 48
Atom C of residue 57
P6742
P5380
P1537
P1549
P7242
P3065
Atom CB of residue 2
P5401
Atom N of residue 71
P13219
P4384
P8828
Atom HB of residue 36
P7461
Atom CG1 of residue 78
P6750
P5912
P2715
P5375
P5980
P10665
P3646
P4570
P3994
P6954
Atom OH of residue 59
Atom C of residue 23
P7730
P5750
P2
P7387
P7648
P5825
P8303
P4390
P5606
Atom HG1 of residue 14
P6595
P7396
P5136
P8551
Atom HB3 of residue 15
P6445
P7583
P9308
P11377
ListSingletonContainer441
P4227
Atom HG2 of residue 16
P2830
P6370
P8232
Restraint 16
Atom HG22 of residue 44
P2633
P3832
P3742
P153
P3804
P6816
P6780
P4181
P2265
Atom HD23 of residue 43
Atom HB2 of residue 24
P8107
LYS
P5012
P5825
P5885
P4413
P11954
P5050
P7855
P1980
Atom CA of residue 8
P7873
P7032
P9953
Atom CA of residue 53
P3116
P3810
P5507
P5976
P7143
P7714
P3245
Atom O of residue 57
P2586
P6226
Atom CG1 of residue 70
P7555
P1625
Atom O of residue 23
P3794
ListSingletonContainer542
P6386
P7463
P4785
P8174
P4166
Atom CA of residue 10
P5230
P4063
P3965
Atom CB of residue 43
Model 223
P2667
P3585
P5079
P310
P5788
Model 105
P2070
P3300
P2127
P4575
P8233
P4546
P1788
P3871
P6408
P6466
P8099
P6936
P8304
P5022
P7462
P4137
P5365
Atom CG2 of residue 78
P8555
P8552
P6743
P4452
P0
P1538
P5023
P5760
P1971
P4375
P3870
P5079
Atom HG12 of residue 36
P5248
ASN
Atom HH22 of residue 72
P4451
THR
Atom HH11 of residue 72
P5376
P4603
Atom HA of residue 1
P2715
Atom CG1 of residue 23
P6754
P3369
P2506
P7731
P7388
P6818
P5165
P5607
Atom N of residue 71
P7954
P3066
P7584
P9309
P47
P11378
P4385
Atom ND1 of residue 68
P8173
P12703
P5762
P7243
P8234
P1981
Atom HG23 of residue 44
P1818
P6538
P5913
P2716
P3647
P4571
P3995
P6751
Atom N of residue 44
P6955
P8108
P5981
ListSingletonContainer465
P6380
P11955
P7649
P4391
P6596
Atom H of residue 59
P7397
P7856
Atom C of residue 8
P6446
P7033
P9954
P3743
P5382
P4228
P2831
Atom HG21 of residue 14
P6371
Atom O of residue 4
P2147
P5402
Atom HG of residue 15
P3833
P3805
P13221
P395
P4182
Atom O of residue 21
P5013
Atom C of residue 53
P5886
P4414
P5051
P6817
P4856
Atom HG2 of residue 24
Atom CA of residue 48
P5751
P10666
Atom O of residue 10
P3117
P3811
P5826
Atom HE2 of residue 4
P5508
Atom CE1 of residue 68
P5977
P1550
P2266
P7144
P8235
P5138
P7874
P3246
P2634
P6447
P2587
P2130
P6937
P8829
P5023
P5366
P3795
P5232
Atom CD1 of residue 43
P6387
P4786
P8175
P4167
P5024
P5761
P2071
P6539
P3
Atom HD2 of residue 63
P4064
P3966
P1930
P2668
P5826
P3586
P4
P5789
P5166
LEU
P3301
P4576
Atom CG1 of residue 88
P4547
Atom HG12 of residue 70
P3872
P6467
P8100
P8305
P6781
P4138
P2128
Atom CG2 of residue 23
P6755
Atom HA of residue 9
P7715
P8553
P1789
P4453
P155
P7556
P3
Atom HG2 of residue 40
Atom CD1 of residue 78
P7955
P4376
P3871
P6227
P5249
P8174
P8236
Atom CB of residue 21
P4452
Atom CB of residue 57
P85
P6744
P4604
P5080
P1807
Atom CA of residue 74
ILE
P2716
Atom O of residue 2
P3370
Atom HE of residue 72
P6381
Atom HG3 of residue 37
Atom HB3 of residue 16
Atom O of residue 57
P4857
P7398
P3067
P8557
P7585
P9310
P7389
P11379
P7464
P4386
P8830
P1626
P12704
P2148
P2717
P5403
P5080
P3648
P4572
P3996
P6956
P8109
P1819
Atom O of residue 72
ListSingletonContainer219
P11956
Atom CE of residue 63
P4392
P1982
Atom HG1 of residue 14
P2507
P7732
P5752
P6409
P9955
P4229
P5827
P2832
P5509
P6782
P1551
P1972
P6372
P7857
P1
P7034
P3834
P6819
P3806
P4183
P5763
Atom CG2 of residue 88
P5233
P5377
P3744
P4415
ListSingletonContainer429
P6388
P46
Atom NE2 of residue 68
P7244
Atom HD3 of residue 63
P1931
P2635
P2131
P5827
P10667
P3118
P7650
P3812
P1539
P7463
P5978
P6597
P6752
P5915
P3247
P2588
P5982
P6938
Atom H of residue 36
Atom HG2 of residue 1
P5024
Atom CB of residue 57
P3796
P6445
Atom CG of residue 72
P7716
ListSingletonContainer54
P5381
P7557
P4787
P4168
P5025
P2267
Atom HA of residue 59
P6540
P4065
P3967
P5014
P2669
P5887
P3587
P0
ListSingletonContainer310
P13220
P5052
P5167
P3302
P5367
P4577
Atom C of residue 48
P4548
Atom OG of residue 57
P3873
P6468
P6745
P5081
P1808
P6818
Atom CA of residue 71
P5762
P4139
P7145
P2516
P4454
P5608
P4858
P5137
P4377
P7875
P3872
P6446
P6228
Atom HG13 of residue 5
P8176
P311
P5250
P8175
P7956
P6756
P4453
P5081
P5378
P6410
P4605
P184
P5790
Atom O of residue 78
P2717
P3371
Atom CG of residue 21
MonteCarlo0
P6382
P8101
Atom NZ of residue 63
P1627
P3068
Atom HH12 of residue 72
Atom HD2 of residue 45
P4387
P8831
Atom HG2 of residue 16
P1973
P6373
LEU
P2718
P1790
P3649
P8306
P4573
P2072
P3997
P5764
P6957
P7399
P8554
P4393
P5609
P2129
Atom CD2 of residue 43
P5753
P10668
P4230
P7651
P5828
P2833
P1540
P2
P6598
Atom N of residue 41
P7586
P9311
P3835
P11380
P6820
P3807
P4184
P12705
Atom HE1 of residue 4
P1983
P5234
P8556
P2149
P7390
P4416
P5510
P1552
P7245
Atom HB2 of residue 59
P8110
P1935
P5015
P7035
P5828
P5888
P11957
P3119
P5053
P3813
P396
P7464
P5979
Atom OD1 of residue 74
P6753
P6447
Atom CD of residue 72
Atom OE1 of residue 2
P5916
Atom O of residue 48
P4549
P3248
Atom HE3 of residue 11
P2589
P9956
P5983
P5383
P7465
P7146
P3797
P7717
P5404
P7733
P13222
P156
P7558
P4788
P4169
Atom OG of residue 57
P2
P7858
P4066
P3968
P2508
P2670
P3588
P8177
P3303
P5368
P4578
Atom HB3 of residue 8
GLN
P6757
P1820
P3874
P6469
P6229
P5082
Atom H of residue 36
P5791
P6819
P6783
P4140
Atom NH2 of residue 74
P5139
Atom H of residue 43
P6448
P2132
P6746
P4455
P8102
P6939
P5025
P4378
P7876
P3873
Atom N of residue 7
Atom HE1 of residue 45
P5251
P5026
P1338
P6541
P4454
P1791
P5082
P5379
P6411
P3745
P4606
P6389
P8307
P5169
Atom O of residue 68
P2718
P7400
VAL
P3372
P8555
P2636
P6383
P5610
P5763
P1554
P2130
P3069
Atom HB of residue 3
P32
P4388
P356
Atom H of residue 45
P2073
Atom N of residue 31
P4859
P7246
Atom HB2 of residue 8
P2719
P5405
P7587
P9312
P3650
P11381
P6821
Atom HA of residue 36
P4574
Atom C of residue 71
P8176
P3998
P2268
P5765
P6958
Atom CG1 of residue 5
P4394
P5511
P1974
P7957
P8111
Atom OD1 of residue 21
Atom HE2 of residue 63
P7036
P4231
P11958
P7652
P2834
P1541
Atom ND2 of residue 74
P6599
P6754
P1984
P8558
P6448
P5917
P1934
P9957
ListSingletonContainer177
P5984
P3836
P5384
P3808
P7466
P8832
P4185
P12706
P5235
P10669
P154
P7391
P4417
P13223
Atom HB of residue 5
P6854
Atom H of residue 74
P5016
ListSingletonContainer53
P5889
P3120
P5054
Atom HA of residue 45
P1339
P5980
P1628
P5369
Atom HB3 of residue 59
P7877
P4550
P3249
P5754
P2590
P1320
Atom H of residue 63
P6820
P6784
P7147
P3798
LYS
P5140
P4
P7734
P6449
P6855
P3746
Covariance1DFunction 51
P6940
P6390
P4789
P5026
P4170
Model 336
P6374
P7859
Atom CA of residue 41
Atom CA of residue 4
P1821
P1339
P4067
P3969
P2150
P2671
P3589
P3814
P8178
P5027
P3304
P1555
P4579
Atom HE22 of residue 2
P6542
P2509
P2133
P3875
P6470
P5792
P4141
P6758
P2637
P4456
P6384
P8103
ASP
P5764
P4379
P7718
P3874
Atom HA of residue 43
P6230
P7559
Atom HB2 of residue 45
Atom HB2 of residue 1
P5252
Atom H of residue 57
P4860
ARG
P4455
P4607
P2
Atom O of residue 71
P7465
P8177
P2269
Atom OD2 of residue 21
P2719
P3373
Atom O of residue 22
P59
P5083
P1545
P7401
P3070
Atom OD2 of residue 21
P1792
P4389
Atom HG23 of residue 3
P5611
P8559
P2720
P5406
P7588
P9313
P6747
P3651
P11382
P8833
P4575
P2131
P3999
ALA
P6959
P5236
P5083
P5380
P6413
P10670
P7392
Atom HA of residue 63
P6855
P4395
P12707
P7958
P8112
P0
P6822
P4232
P11959
P8308
P2835
P5168
P5512
P6375
Atom CE2 of residue 4
P6449
P8556
P5755
P9958
P48
P3837
P5385
Linear1DFunction 25
P3809
P61
Atom HG22 of residue 14
P7466
P4186
Atom H of residue 21
P1975
P1308
Atom HG3 of residue 2
Atom C of residue 22
P6856
P4418
P13224
Atom HB3 of residue 45
P2074
P6785
P1629
P5766
P6755
P7860
P5918
P7735
P5985
P186
P3121
Atom HB3 of residue 4
P5981
Atom HA of residue 74
P4551
P3250
Atom HD12 of residue 3
P2591
P7467
P7653
P6600
P3799
P5141
P2510
P6450
P6941
P6391
P4790
Atom CA of residue 39
P5027
P4171
P1556
Atom HE3 of residue 63
P7719
P4068
P3970
P98
P2672
P3590
Atom HZ of residue 45
P7560
Atom C of residue 1
P3815
P6821
P5028
P3305
P4580
P1939
P5017
P7037
P2134
P3876
P6471
P5890
P5055
P4142
Atom CA of residue 22
P4457
P5084
P8309
P5765
P7247
P7148
P1985
P4380
P3875
P8557
P6231
P5253
P4861
Atom HD1 of residue 59
P4456
P3747
P4608
P8179
P8178
Atom HB2 of residue 57
P2720
Atom O of residue 55
P1822
P3374
P2151
P5084
P5381
P5793
P5370
P2270
P7959
P3071
ILE
Atom N of residue 8
P6823
P8104
P4390
P6759
P8560
P2721
P1
P6748
P3652
P185
P4576
P4000
P6960
P6376
P6543
Atom H of residue 31
P1793
P6857
Atom N of residue 46
Atom HB of residue 36
P6856
P357
P4396
P5170
Atom CD1 of residue 71
Atom O of residue 74
P5767
P6756
P7878
P5919
Atom CG of residue 43
P89
P5986
P10671
P4233
Atom HB2 of residue 63
P2836
P2132
P3
P1976
Atom N of residue 6
P6450
P2638
P5756
P3838
P5386
P7393
P3810
P7468
P7654
P1544
P2075
P4187
P6601
P12708
P7402
P5407
P7589
P9314
P4419
P11383
P13225
P5612
Atom HG23 of residue 14
Atom HA of residue 21
P6385
P3122
P6822
Covariance1DFunction 26
P5982
P8113
Atom OG1 of residue 55
Atom CD2 of residue 43
P1827
P5018
P3251
P7038
P1338
P2592
ListSingletonContainer266
P6412
P5891
GaussianProcessInterpolation35
P11960
P5056
Atom HG22 of residue 22
P7467
P7861
P3800
P5142
P6544
P4552
P7736
P6451
P9959
P155
P3
P4791
P8834
P4172
P5513
P4868
P7149
Atom C of residue 53
Restraint 590
Atom HB2 of residue 74
P7720
P4069
P3971
P2673
P3591
P7561
P3816
P3306
P6786
P5371
P4581
Atom HD2 of residue 59
P5237
P1936
P3877
P6472
P8180
P4143
P1986
Atom HB2 of residue 4
P4458
P5085
Atom N of residue 50
P8310
P5794
P7248
Atom CA of residue 61
P4381
Atom HB2 of residue 21
Atom HZ1 of residue 63
P3876
P8558
P8105
P6942
P6393
P5028
LYS
P5254
ALA
P2152
P4457
P6749
P4609
ListSingletonContainer543
P5029
P2721
P3375
Atom HA of residue 31
P5085
P6386
Atom HG12 of residue 36
P5171
Atom CD2 of residue 71
P1630
P2271
P3072
P2
P11384
P4391
P5766
P6760
P8561
P6451
P2722
P1794
P1339
P6232
P5387
P7394
P3653
P6824
Atom HG2 of residue 63
P8835
Atom HD3 of residue 38
P4577
P1553
P4001
P6961
P7960
P2050
P5408
P7590
P9315
P13226
P1319
Atom N of residue 23
P6857
P4397
P0
P397
Atom NH1 of residue 68
P2133
P8179
P5768
Atom H of residue 9
P7879
P3748
P4234
ALA
P2837
P6757
Atom O of residue 53
P8114
Atom H of residue 43
P5920
P5987
P3839
P3811
P11961
P7469
P7655
Atom HD1 of residue 45
P4188
P6602
P12709
P1321
P7403
P7862
P5238
P5143
P2511
P6452
P2135
P9960
ListSingletonContainer170
P6858
P4420
P5613
P6377
Atom HB3 of residue 74
Atom CG2 of residue 55
P6545
P5382
P6414
P3123
P5983
P5019
P3252
P2593
Model 52
P5892
P5057
P1546
P6823
P7468
P1631
Atom HG of residue 65
P1490
P3801
P4553
P7039
P1
P2639
P7737
P5757
P10672
P4792
P4173
Atom NH2 of residue 68
Atom HB3 of residue 57
P7150
Atom HB3 of residue 21
Atom HZ2 of residue 63
P4070
P3972
P2674
P3592
P6943
Atom HG3 of residue 63
P3817
P5029
P3307
P6787
P5372
P8408
P4582
P3878
P6473
P8181
P5514
P5030
Atom HZ of residue 4
P4144
Atom C of residue 61
Atom O of residue 2
P4459
P5795
P1
P2076
P1977
Restraint 594
P4382
P3877
P8106
Atom H of residue 11
P5255
P5767
P6761
P8562
P7721
P4458
P23
P4610
P7562
Atom CA of residue 32
P2722
P7961
P3376
P5383
P6387
P6858
P5172
P8180
P7404
P2153
P2512
P6750
P3749
P7
P11385
P5086
P4392
Atom CD of residue 37
Atom HH11 of residue 72
Atom N of residue 66
P2723
P6233
P3654
P157
P8836
Atom HD2 of residue 45
P4578
P4002
P6962
P7591
P9316
P49
P2136
P6859
P7395
P6392
LEU
P8311
P4398
Atom N of residue 39
P5614
P398
P3073
P1987
P8559
Atom HD13 of residue 73
P5086
P6415
ListSingletonContainer430
P4235
ILE
P2838
P7249
P8115
ListSingletonContainer349
P3840
P3812
P11962
P4189
P6378
P5239
P4554
P5758
P9961
P4421
Atom CG of residue 37
Atom CB of residue 2
Atom N of residue 69
Atom HG of residue 57
P2272
P7863
Atom HA of residue 11
P6825
P3124
P1547
P6788
P5984
P5769
LEU
P1491
P1828
P3253
P2594
P5515
Atom HG22 of residue 14
P2640
P10673
P7470
P7656
P4793
P4174
P2077
P2134
P6603
P12710
P6758
P1978
P6452
P5921
P4071
P3973
P1795
P5409
Atom HD22 of residue 73
P2804
P5988
P3593
P5388
P6944
Atom HE2 of residue 45
P3818
P5030
P3308
Multivariate Normal distribution 36
P4583
P7250
P6546
Atom CD2 of residue 45
P7880
P7722
P7040
P3879
P6474
P13227
Atom HD2 of residue 63
P7563
P358
P5031
P7469
P4145
P3802
P5020
P48
P4460
P5893
P5058
Atom OD1 of residue 37
Atom C of residue 9
P1632
Atom H of residue 55
P4383
P3878
P7738
P6751
Restraint 582
P5087
P6824
P5256
P5768
P7151
Atom HE1 of residue 59
P2053
P5144
P4459
P6453
ListSingletonContainer311
P4611
Atom CB of residue 71
P5374
P2723
Atom NZ of residue 11
P3377
P5384
P6234
P8182
P8312
P5173
P8181
PHE
P8407
P7962
P6762
P1988
Atom HE1 of residue 4
P8560
P5087
P3059
P4393
P5796
Atom HA of residue 43
Atom HB3 of residue 24
P7881
P2724
P2137
P3655
P8107
P6394
P4579
P1467
P4003
THR
P6963
P1829
Atom OE1 of residue 31
P5410
P4399
Atom HG12 of residue 3
P7251
Atom H of residue 53
P3074
Atom HG2 of residue 74
P0
P6416
Atom CB of residue 5
P6388
P4236
P2839
P5770
P1328
P3841
P3750
P5389
P5615
P4190
P5759
ListSingletonContainer202
P10674
P4422
P13228
P7471
P7657
Atom CA of residue 50
P8837
Atom HG2 of residue 29
P6604
P6453
Atom H of residue 21
P2154
P7592
P9317
P11386
P6826
P3125
Atom O of residue 9
P1489
P5985
P3254
P2595
P7396
P3813
Atom HG1 of residue 22
P5516
P7470
P8116
P5145
P5021
P1796
P5894
P11963
P4794
P5059
P4175
P2078
P12711
P6759
P5241
Atom HA of residue 55
P7882
P5922
P4072
P3974
P7041
P2513
P9963
P6860
P5989
P3594
P50
P3819
P6859
P3309
P2135
Atom CA of residue 34
P4584
P7152
Atom HE2 of residue 59
P6379
P6547
P7723
P6454
P3880
P6475
P7564
Atom CA of residue 15
P4146
P2273
Atom HA3 of residue 53
P7405
P7864
P3803
Atom HG22 of residue 7
Atom HB2 of residue 43
P4555
Model 47
P50
P4461
P8183
P5174
P6789
THR
P1633
P1492
P6763
P4384
P3879
P2641
P7739
P5088
Atom ND2 of residue 37
P5797
Atom HG13 of residue 5
P6825
P5257
Atom HB2 of residue 28
P4460
Atom C of residue 2
P6752
GaussianProcessInterpolationRestraint 3
P4612
P8108
P6945
P158
P6395
P5031
P1548
P1468
P8409
P2724
P3378
GeneralizedGuinierPorodFunction 51
Atom CG of residue 71
P5032
P1
Atom CG2 of residue 61
Atom HG3 of residue 24
P5088
P6389
P4394
P1979
P1830
P2725
P6235
P3656
P4580
P5616
P5769
P4004
P5771
P6964
P1989
Atom HA of residue 2
P8503
P5411
P2805
P6861
Atom HB1 of residue 46
P8838
Atom HG3 of residue 29
P6860
P4400
P3075
Atom NE2 of residue 31
P7593
P9318
P2138
P5385
P6417
P11387
P6827
P4237
Atom HB3 of residue 63
P7658
Atom CD1 of residue 4
Atom HD12 of residue 23
P2840
P12
P5373
P8182
Atom HD2 of residue 74
Model 181
Atom N of residue 66
P2514
P3842
P5390
Atom C of residue 50
P51
P8313
P5517
P4191
P6380
P7963
P8117
Atom HA of residue 21
P8561
P4423
P13229
P11964
P7472
P1490
P6605
P6760
Atom CD1 of residue 61
Atom HG23 of residue 7
P6454
P5923
P1961
P5990
P3126
P6790
P5986
Atom HA of residue 57
P12712
P6855
Model 364
P3255
P5760
P2596
P10675
P7397
P3814
P7471
Atom CA of residue 66
P5146
P5022
P5895
P4795
P5060
P4176
Atom CA of residue 69
Atom C of residue 34
P4073
P3975
P2642
P9964
P3595
P156
Atom HA of residue 65
P3820
Atom CB of residue 7
Atom HD13 of residue 23
P6826
Atom C of residue 15
P3310
P2274
P4585
P7153
Atom HB3 of residue 28
P6455
P3881
P6476
P143
P3751
P6946
P5032
P2079
P1634
P4147
P8410
P7406
P7865
P1493
P3804
P2155
P4556
P4462
P8184
P5033
Atom N of residue 54
Atom HB3 of residue 43
P4385
P3880
Atom CD1 of residue 3
Atom HB2 of residue 46
P8314
P359
P5798
P11
P1549
P5258
Atom CA of residue 61
P1980
P6764
P4461
P8562
P1797
P4613
P8109
P6396
Atom CA of residue 4
P5770
P2725
P1336
P5240
P3379
P7724
P8504
P7565
P2136
Atom O of residue 72
P7252
P1852
P1950
P5386
P6418
P4395
P1469
P8183
Atom CG2 of residue 9
THR
P2726
Atom HG of residue 73
P6236
P3657
P5089
Atom O of residue 50
P4581
P4005
P6965
P5414
P6862
P6861
P4401
P5617
P5375
P2056
Atom C of residue 4
P7594
P9319
ListSingletonContainer348
P6753
P11388
P4238
P2841
P6856
P2812
P1990
P5089
P5761
P3843
P10676
P7398
P5175
P4192
Atom NE2 of residue 40
P6381
P7964
P8118
P7740
P4424
P6828
P11965
P5518
P5772
P6455
P7883
P7042
P9965
Atom HB2 of residue 65
P3127
P5987
Atom C of residue 66
P3282
Atom H of residue 9
P3256
Atom C of residue 9
P2597
P3882
P6390
P187
P3815
P7659
Atom C of residue 69
P6761
P7866
Atom CD1 of residue 61
Atom CB of residue 55
P5924
P4557
P2806
P8292
P5991
P5392
P4796
P0
Atom HG21 of residue 30
P4177
P12713
P2
P4074
P3976
P2139
P3596
P3752
P13231
P7473
P8839
P3821
P1433
P2080
P3311
P6606
P4586
P2156
P1951
P6456
P6477
P5896
P6947
P5324
Atom N of residue 24
P5033
Atom C of residue 2
P4148
Atom HA of residue 40
P8411
P3805
P7725
P4463
P7566
MD 19
P6827
P5034
P5771
P7472
P2137
P2275
Atom C of residue 61
P7253
P5148
P4386
Atom H of residue 24
Atom HD2 of residue 38
P3881
P5023
P1798
P2515
P8315
P1491
P5259
P1306
P5242
P4462
UnaryFunction20
JeffreysRestraint_P0
P21
P4614
P5090
P6397
Atom HB3 of residue 46
P7154
P2726
P3380
Atom HD23 of residue 43
Atom HD2 of residue 29
P5176
P5376
P1981
Multivariate Normal distribution 3
P6391
P4396
P8185
P8184
P2057
P1853
P2727
P5090
P3658
P5799
P4582
P6791
P4006
P6966
P7965
P6829
P8110
Restraint 588
P8840
P4402
P1470
P5773
ARG
P7407
P1494
Atom HD3 of residue 74
P6765
P1991
P6456
Atom C of residue 39
P7884
Atom N of residue 39
P7043
P7741
P6754
P4239
Atom CB of residue 50
P2842
P1635
P1307
P2813
P8505
P3844
Atom N of residue 22
P0
P1434
P4193
P6762
Atom H of residue 61
P5925
P2643
P2807
P8293
P5992
P6237
P10677
P4425
P8245
Atom HG1 of residue 7
P5762
P6863
P7399
P7474
P3128
P7660
P6862
P1552
P5988
P6607
P3257
P5413
P6457
P7595
P2598
P9320
P5387
P3883
P5897
Atom CG of residue 4
P11389
P3816
P5618
Atom HA of residue 9
P4558
P6419
P4797
P52
P4178
P6828
P7473
P12714
Atom CD1 of residue 61
P7408
P6383
P8119
P4075
P3977
P5024
P3597
P11966
P3822
P1492
P1483
P3312
Atom HB2 of residue 40
P4587
P7254
AngleSingletonScore7
P7867
P5243
P3283
P0
P6478
P188
P6398
THR
P5519
P4149
P8412
P7155
P6852
P3806
P7726
Atom CA of residue 66
Atom N of residue 44
P9966
P4464
GLY
P7567
Atom HD3 of residue 29
Atom HG21 of residue 7
P4387
P3882
P8506
P157
P8186
P5260
P6792
Atom CB of residue 6
Atom O of residue 39
Atom HA of residue 28
P4463
P2644
P3753
P5391
P4615
P5091
Atom CD of residue 16
P5800
P2138
P2727
P3381
P2157
P1937
P2140
P8111
P6948
P13230
P5034
P5177
P5377
Atom OG1 of residue 66
Atom CA of residue 54
P1337
P1495
Atom HE of residue 74
P7742
P5388
P6755
P6392
P4397
Atom CG of residue 50
P5322
Atom CE2 of residue 4
P5035
P5772
Atom N of residue 100
P1460
P7885
P2728
P5091
P4862
P3659
Atom HD11 of residue 23
P4583
P1471
P4007
P6967
P1982
P7409
P0
P5147
ASP
P7596
P8841
P4403
P2081
P1636
P2276
P5774
P8246
P6766
P6420
ListSingletonContainer204
P6864
Atom HB3 of residue 65
P7400
P6830
P4240
ListSingletonContainer544
P6863
P8316
P4
P2843
P1553
P7966
P2814
P9321
P3845
P11390
P8185
P4194
P1938
P2808
P6238
P4426
P360
P6763
P8120
P1854
Atom HG13 of residue 36
P5926
P1799
P5993
P11967
P7475
P3129
P7661
P5323
P1435
P5989
P6608
P7255
P7868
Atom H of residue 61
Model 23
ModelScoringFunction2
P3258
P7044
Atom CG of residue 39
P2517
P2599
P3884
P3817
P5619
P8413
P6853
P5244
P4559
P9967
Atom CA of residue 47
P4798
P4179
P1484
P7474
SER
JeffreysRestraint_P1
Model 407
P4076
P3978
P5025
P5898
P3598
P4
Atom O of residue 42
P3823
P6829
P3313
P6793
P4588
Atom HG23 of residue 66
P3284
Atom C of residue 66
P5763
P6479
P10678
P3
Atom C of residue 4
P5520
P4150
P7156
P3807
P1992
P4862
P4465
Atom N of residue 66
P6949
P1493
P5035
Atom CG2 of residue 66
P4388
Atom HG21 of residue 36
P3883
P8507
P8294
P0
P5393
Atom OE1 of residue 16
P8187
P5261
P5036
P5773
P12715
P4102
Atom HA of residue 61
P6457
P1461
P7886
P4464
P7045
P2690
P2141
P4863
P4616
P13232
P5801
P2728
P6382
P5149
P3382
Atom HB1 of residue 28
P2158
Atom N of residue 35
P8112
P5378
P1
P6767
Atom N of residue 11
P7727
P5389
P4398
P7568
P8317
P2139
Atom HB3 of residue 40
P1983
P7967
P1314
P2729
P1800
P7744
P3660
P4584
P2
P2082
P8186
P4008
P6968
P1496
Atom HG13 of residue 3
Atom C of residue 44
Atom OD1 of residue 39
Atom HG3 of residue 16
P6458
P7597
P6756
P5092
P4404
P8247
P2645
P6421
P6239
P4241
P6399
P5325
P2844
P5179
P2815
Linear1DFunction 44
P9322
P3846
P3754
P6393
P7401
P11391
P5620
P4195
P1855
Atom CA of residue 35
P5092
P2809
Atom CG of residue 1
P8295
P4
P4427
Atom O of residue 2
P8121
P6458
P0
P11968
P159
P3130
P8842
P5990
P5775
Atom N of residue 67
Atom O of residue 66
P3259
P5764
P2600
P3885
P3818
Atom C of residue 47
P5521
P2277
P6854
P7869
P5245
P4863
P6831
P4799
Atom H of residue 9
P1644
ListSingletonContainer1
P4180
P1436
P4077
P3979
P9968
P3599
P5394
P3824
P3314
Atom CA of residue 100
P1472
P4589
Atom HG3 of residue 74
P1993
P3285
P2691
P7745
P6459
P6480
P6865
P10679
ListSingletonContainer431
P13233
P7476
P7662
P6864
P6794
P4151
P6609
P6764
P3808
P5150
P5927
P4560
P7046
P25
P4466
P5994
P6950
P5036
P1637
P5379
Atom HA2 of residue 53
ASP
P4389
Atom HG2 of residue 38
P7728
P3884
P2518
THR
Atom CD1 of residue 50
P7569
P5262
P5037
P5774
P7475
Atom HG2 of residue 40
P12716
P4103
P6384
Atom HG22 of residue 36
P1462
P4465
P5026
P5899
P4617
P6400
P1494
P2729
P7410
P3383
Atom O of residue 44
P6757
P5093
P1550
P6830
P1485
P2140
P1
P7157
P2142
P4399
P5326
P5802
P0
P8414
Atom HB3 of residue 19
P2159
P2730
P6394
P3661
P8188
P4585
P8187
P4009
P6969
P7968
P6768
Atom C of residue 35
P5093
ListSingletonContainer312
P78
Atom HB2 of residue 18
P4405
P8248
P2125
P1801
Atom OD2 of residue 39
Atom N of residue 17
P8508
P6866
P3755
P8113
P4242
P8843
P6865
P2845
P5776
P2816
P1497
Atom HB of residue 7
P5390
P3847
P4196
P2810
P8296
P6240
P4428
P8318
P6459
P2646
P7743
P4864
P3131
P5621
P5991
P1638
P5246
Atom HG2 of residue 19
Atom HB1 of residue 46
P3260
P5765
P2601
P3886
P6423
P10680
P3819
P7477
P7663
Atom CD2 of residue 50
P1437
P6610
P2
P7598
P9323
P11392
P6832
P4800
ILE
Atom HB2 of residue 15
P4181
P5178
P2083
P1473
P2278
Atom O of residue 66
P1984
P4078
P3980
MolecularDynamicsMover0
Atom CB of residue 66
P3600
P5395
P7402
P3825
P1645
P5522
P7476
P3315
P4590
P6385
P8122
P3286
P5027
P2692
P6460
P6481
P5900
P13234
P11969
Linear1DFunction 33
P4152
P12717
P8415
P2052
P6765
P7256
P7411
P3809
Atom CA of residue 39
P5928
P4561
P59
P4467
P5995
P7158
Atom HG22 of residue 5
P4390
P7729
P3885
P2519
Atom CB of residue 32
P7570
P1495
P5803
P1551
P5263
P7870
P1521
P5151
P4466
P4618
P6401
Atom N of residue 47
P8189
P8319
Atom C of residue 100
P2730
P6769
P1856
P3384
P9969
P5094
P6831
P8249
P1940
Atom OG1 of residue 66
P7047
P8509
P6758
P8114
P6951
P4400
P5327
P5037
P1486
P6795
Atom HB3 of residue 49
P2731
Atom HA of residue 39
P4864
P5391
P4865
P3662
P4586
P5038
P5775
P4010
P6970
P1994
P1463
P7887
P5094
Atom CA of residue 46
P4406
P1498
P6867
P3756
Atom CA of residue 66
P4243
P160
P6866
P2846
P5622
P7257
LEU
P2817
Atom HG23 of residue 36
P3848
P5380
P4197
P2053
P7599
P9324
P2811
P6241
P4429
P11393
P6833
P2084
P8188
P5777
Atom HB3 of residue 46
P60
P3132
P5523
P5992
P7969
P8123
P3261
P1802
P1652
P2602
P3887
P3820
P11970
P7478
P7664
P5180
P2141
P6611
P6766
Atom CB of residue 66
P1985
Atom HG3 of residue 19
P5929
P2325
P5996
P6395
Atom H of residue 50
P4801
P4182
P8250
P7412
P1857
P4079
P3981
P2160
Atom HB2 of residue 39
P3601
P10681
P3757
P5396
P7403
P3826
Atom HB3 of residue 15
P7477
P3316
P5
P4591
P6386
P1522
Atom HD1 of residue 4
P6460
P3287
P7888
Atom HB3 of residue 34
P5028
P2693
P6482
P5901
P13235
P8844
P1639
P4153
P2279
P8416
Atom HG21 of residue 23
P3810
ILE
P4562
P4865
P5766
P4468
Atom O of residue 56
P6832
P7159
P4391
P3886
P7048
P6422
P6952
P5038
P5264
Atom O of residue 100
P12718
Atom H of residue 61
P7871
Atom HG2 of residue 49
P5152
P4467
P7746
Atom N of residue 33
P8298
P158
P4619
P8190
P8320
P5039
P5776
Atom H of residue 40
P2731
P3385
P1464
P7730
P1941
Atom CG2 of residue 66
P2647
P6461
P9970
P144
P5804
P5381
P6770
P5247
P2520
P8115
P4401
P5328
P1438
P6796
P1474
P7258
Atom CA of residue 67
P1995
Atom HD11 of residue 36
P2732
P6396
P4866
P3663
P7571
Atom C of residue 46
P1646
P4587
P2609
P4011
P6971
Atom C of residue 66
P6403
P4407
P8189
Atom H of residue 64
MD 0
P9325
P2679
ScoreState 3
P5095
P4244
P8845
P2847
P2818
P3849
P7404
P5181
P5623
P4198
Atom HD11 of residue 50
P8510
P7600
P6759
P4430
P11394
P1496
P1487
P7413
P1653
P5095
P10682
Restraint 107
P5397
P3133
P1911
P5993
P2142
P7970
P8124
P6461
P7889
P3262
P2603
P3888
P6868
P3821
P13236
P11971
P6867
Atom CA of residue 12
P5524
P2085
P3
P2161
P5767
P5392
P4802
Atom CB of residue 56
Atom NE2 of residue 31
P4183
P4080
P3982
P2143
P6242
P3827
P3317
P5778
P6767
P4592
P6387
P7872
P5248
P5153
P3288
P5930
Atom HB3 of residue 39
P2694
P6483
ListSingletonContainer206
P5997
P190
Atom CB of residue 38
Atom HA of residue 50
P4154
P1499
P3811
Atom HA of residue 64
P1858
P7731
P1942
P4563
P4866
Atom HA of residue 46
P6462
P6424
P9971
P8299
P4469
Covariance1DFunction 61
P6834
P7479
P7665
P1647
P6612
P8266
P4392
P3887
Atom CA of residue 44
P2648
LYS
P3602
P0
P6953
P5329
P5039
P1439
P5265
P6797
P1640
P1475
P2280
P12719
P7259
Atom HD12 of residue 50
P1986
P4468
P7049
P8511
P2680
P4620
P7572
Atom O of residue 46
P6833
P5040
P7478
P2732
P3386
P5029
P5902
Atom H of residue 31
P5382
P8418
P2025
Atom C of residue 67
P5096
P4402
P5777
P7160
Atom N of residue 47
P2733
P5393
P6397
P3664
P4588
P2610
P4012
P4
P6972
Atom HB2 of residue 46
P2144
P8191
P4408
P1488
P8190
P5096
P4245
P1912
P8846
P2848
P5805
Atom CB of residue 100
P1641
P7971
P2819
P1523
Atom HG21 of residue 13
P7890
P6869
P3850
P8116
P6868
P8321
P1497
P5182
P4199
P6771
P2521
P7747
P6760
P4869
P4431
P317
Atom CB of residue 69
P1943
P3758
P6835
P3134
P5994
P5779
P6768
P6388
P1465
P3263
P2604
P9326
P3889
P5998
P10683
P11614
P3822
P6402
Atom CG of residue 38
Atom HB2 of residue 50
Atom HE22 of residue 49
P1996
P5768
P6425
P5097
P7480
P7666
P4184
P6613
P4081
P3983
P2162
Atom H of residue 66
P7601
P51
P6243
P79
P3828
P5624
P2086
P3318
P2026
P4593
P1500
P5249
P3289
Model 199
P1805
P2695
P6484
Atom N of residue 11
P7479
P4155
P8125
P3812
P1859
ModelScoringFunction3
P5030
P4564
P1654
P5097
P4470
P5903
P11972
Atom HB2 of residue 64
P4393
P3888
P3603
Atom HG of residue 65
P5525
P5266
P7161
Atom CB of residue 67
P1
GLY
P7732
P4469
P8512
P2681
P9972
P8370
P4621
P189
P7573
P1648
Atom HA of residue 31
P2143
P8251
Atom HD13 of residue 50
P2733
P7873
P1524
P6462
P3387
P5398
P11395
P8192
P6798
P2281
P1987
P7050
P4869
P2522
P2649
P56
P7405
P13237
P4403
P5806
Atom OG of residue 100
P5931
P2734
Atom HB3 of residue 46
P5394
P159
P3665
P8117
P6954
P8322
P5040
P4589
P9
P2675
P4013
P12720
P6973
Atom HD2 of residue 54
P6761
P6836
P1913
Atom HA of residue 46
P4409
P5041
Atom CG of residue 69
P7414
P5154
Atom H of residue 39
P6463
Atom CD2 of residue 23
P4246
Atom CG of residue 56
P2849
P1642
P5384
Model 140
P2820
P3851
P6834
P5183
P1489
P5778
P4200
P8417
P7260
P6772
Atom N of residue 50
P1997
P7748
P6398
P4432
P1466
Atom HA of residue 66
P1806
P7602
P9327
ListSingletonContainer171
P6426
P8371
P6404
P3135
P1440
P5995
P1476
P8191
P5780
P6463
P3264
P2605
P3890
P6244
P3823
P5330
P8847
P6769
P7972
P8126
Linear1DFunction 0
Atom HD3 of residue 54
P1655
P5999
P5098
P11973
ListSingletonContainer545
P7481
P7667
P4185
P2087
P6614
P7415
P7891
P5932
P4082
P3984
P5399
P3829
P1498
P5625
P3319
P4594
Atom CG of residue 67
P3290
P2696
P9973
P6485
ListSingletonContainer205
P3759
P4867
P13238
P7480
P4156
P3813
P2163
P5031
P4565
P5098
P6464
P2145
P6870
P4471
P5904
P11396
P6869
Atom C of residue 7
P6799
P4394
P1860
P3889
P7051
P5769
P3604
P10684
ListSingletonContainer474
P6835
P5526
P5267
P2144
P7162
P5155
P1944
P4470
P2682
P4622
P6955
P5041
P2676
Atom HD22 of residue 50
P2734
P5251
P3388
P53
Atom HB1 of residue 46
P8193
P5042
Atom N of residue 101
P6389
P1322
P7406
P4404
P5331
P1649
P5807
P7874
P1525
P2735
P3666
P8118
P4590
P5184
P1441
P5779
P1477
P4014
P12721
P7261
P6974
P1501
P6773
P2650
P6399
P7574
Atom CD2 of residue 56
P4410
Atom HB3 of residue 64
Atom HB2 of residue 25
P4247
P6405
P2850
P8192
P8419
P2821
Model 159
P0
THR
P3
P1807
P8513
P6871
P6762
P3852
Atom HB3 of residue 50
P8848
P6870
P2677
Atom HB2 of residue 31
P4201
P8253
P1322
Atom CD1 of residue 67
P4867
P7749
P5395
P3775
P20
P4433
Atom O of residue 7
P1988
P7416
P7892
P7734
P7603
P9328
ListSingletonContainer71
P6427
P8372
Atom CA of residue 38
P3136
P8323
P5626
P1490
P5996
P1998
P6464
Atom CA of residue 13
Atom HE of residue 54
P3265
P2606
P3891
P4872
GaussianProcessInterpolation45
P3824
P1914
P2282
P8127
P11974
P1499
P4186
P1643
P5383
P4083
P3985
P5770
P6245
P5400
P3830
P5527
P3320
P6390
P7973
Atom O of residue 42
P3291
P2697
P2146
P6486
P13239
P53
P4157
P5781
P2027
P3814
P1945
P4566
P2523
Atom O of residue 46
P6465
P9974
P4472
Atom HD21 of residue 25
P11397
P161
Atom HD12 of residue 23
P4395
P3890
P10685
P7482
P7668
P5268
P6800
P6615
Atom CD1 of residue 69
P6770
P7875
P5156
P1467
P2164
P4471
P2683
P6000
P4623
ListSingletonContainer432
P6837
P6956
P318
P5042
P8483
P7262
P2735
P3389
P7893
P7575
P8324
P1650
P5043
P7481
P1327
P12722
P8254
Atom HG2 of residue 64
P5032
Atom CD of residue 51
P5905
P4405
P5332
P1442
P8420
P1502
Atom HB2 of residue 46
P5933
Atom HB2 of residue 59
P2736
P8514
P6763
P3076
P3760
P3667
P4591
Atom HB3 of residue 31
P5780
P2088
Restraint 124
P4015
P7163
P6975
Atom HG3 of residue 49
P4872
P1656
P7750
P5396
P145
P4411
P1526
P1861
Atom N of residue 15
P6428
P4248
P6406
P2851
P1478
P8193
Atom H of residue 69
P2822
P6774
P5250
P7052
P6872
P3853
P4873
Atom HD13 of residue 23
P6871
P5808
P2678
P6836
P2145
P4202
P2283
Atom HD23 of residue 50
P1989
Atom C of residue 42
Atom CA of residue 6
P4434
P8119
P1826
Atom HD12 of residue 50
P1491
P1644
P2028
ListSingletonContainer313
P3137
P1915
P5997
P7417
P7974
P1999
P3266
P5771
P2607
P3892
P7407
P3825
P5385
P5782
P1946
P2651
P62
P8367
P4187
P5627
P4084
P3986
Atom HD1 of residue 59
P2524
P6246
P10686
P6400
P7483
P7669
P3831
P5185
P3321
P6616
P6391
P3292
P1468
P2698
P7604
P9329
P6487
P6838
P4158
P8484
P3815
P6465
P7894
P4567
P4473
P0
P8849
P5528
P7482
P1328
P8255
P8128
P4396
P3891
P5033
P1657
P5906
P6150
P11975
Atom H of residue 56
P5269
P6771
P7876
P5934
P4472
Atom HH11 of residue 54
P7752
P2684
P6001
P5402
P7408
P4624
Atom CB of residue 46
P7164
P2736
P3390
TYR
P4873
ListSingletonContainer181
P13241
P7576
P8325
Atom O of residue 67
Atom CA of residue 42
Atom OG1 of residue 14
P2165
P6466
P2147
Atom CD of residue 1
P63
P4406
P2089
P8421
P6775
P2737
P7053
Atom H of residue 51
P9975
P3668
P54
P5809
P4592
P6837
P2146
P4016
P12723
P6976
P1527
P5158
P1862
P6764
P3761
P6401
P11398
P8120
P6957
P4412
P1500
P5043
P6801
Atom HE21 of residue 49
P5252
P4249
P6407
P2852
P5044
P7263
P2823
LEU
P7735
P3854
P4874
P5333
P8850
P5186
P5386
P4203
Atom HA of residue 69
P2050
P4435
Atom HA of residue 56
P5628
P5781
P2284
Atom HD13 of residue 3
P8515
P7409
P3138
P1447
P5998
P7975
Atom CA of residue 15
P3267
P7605
P2608
P9330
P3893
P6839
P3826
P1479
P5783
P1503
P2000
P6466
P8148
P8368
P6873
P162
P6872
P4188
P5529
P1329
P8129
P4085
P3987
P1947
P5397
P6151
P11976
P7484
P1916
P7670
P3832
P1651
P3322
P6617
P6772
P7877
SER
P3293
Atom HH12 of residue 54
P2699
P2652
P6488
P6002
P1
P5412
P4159
P8252
P3816
P5935
P4568
Model 224
P5772
P142
P4474
P10687
P7483
P7418
P4397
P1469
P3892
P5034
P6467
P2148
P5907
Atom ND2 of residue 25
P5270
ASN
P4473
P2685
P6429
P6247
P4625
Atom HD13 of residue 50
P5045
P1492
P7165
P2737
P6393
Atom CG2 of residue 14
P3391
P8149
P4874
P1658
P8516
P2525
P11399
P6958
Atom H of residue 46
P1501
P5044
P6838
P5253
Atom HA of residue 5
P97
P3762
P4941
P6408
P4407
P319
P8422
P7264
P7736
P2738
P9976
P3669
P2
P5810
P4593
P4017
P12724
P6977
P6776
Atom HB3 of residue 21
P7054
P5398
P160
P6402
P8121
P4413
P5782
P6802
Atom HD21 of residue 50
Atom CD of residue 16
P7751
P8302
P5401
P4250
P7577
P2853
Atom HB3 of residue 74
P2147
P7976
P2824
P3855
P13240
P8851
P5187
P5387
P4204
P1504
Atom CA of residue 65
P6874
P4436
Atom HG23 of residue 23
P6873
P8326
P1448
P2090
P1330
P2285
P8485
Atom C of residue 15
P6430
P3139
P5334
Atom HB2 of residue 56
P5629
P5999
P1480
P2029
Atom HB2 of residue 45
P5157
P3268
P2653
P7606
P9331
P3894
P6765
P3
P3827
P2166
P5773
P10688
P1917
Atom HD21 of residue 50
P1652
P4189
P8130
P4086
P3988
Atom HA of residue 51
P11977
P3833
P5530
P3323
P1528
Atom HB of residue 26
P3294
Atom OH of residue 59
P4941
P2526
P2700
P6489
P6152
P4942
P2614
P4160
Atom HB2 of residue 69
P7878
P3817
P1863
P8150
P7737
P4569
P4475
LEU
Atom HG2 of residue 74
Atom C of residue 77
P5784
P6773
P7419
P4398
P3893
GLU
P6003
P6840
P5045
P5271
P1493
P8423
P7265
Atom N of residue 50
Atom CD of residue 2
P4474
P2686
P9977
P6248
P4626
P191
P7485
P7671
P1502
P5046
P6618
P8486
P2738
P2001
P3392
P1470
P1949
P8517
P150
P11400
P6959
P6803
P5254
P6467
P5936
P8303
P4408
P7578
P7484
P5035
P2739
P1659
P2149
P5908
P3670
Atom N of residue 19
P4594
P4018
P2030
P6978
Atom OE1 of residue 16
P5399
P5403
P8327
P4414
P5783
P7166
P7410
P4251
P13242
Atom HE21 of residue 2
P2854
P6839
P2148
P6392
P1319
P2825
Atom C of residue 65
P7055
Atom HB2 of residue 51
P6468
P3856
P2091
P5388
P4205
P7977
P1505
Atom HD11 of residue 15
P1321
P4942
P101
P4437
P5811
P12725
P5159
P1864
P7753
P6431
P6403
GaussianProcessInterpolationRestraint 13
P8122
P3140
Restraint 6
P6000
P6777
Atom HG11 of residue 26
P2167
P3269
P3895
P6766
ILE
P6841
P3828
PRO
P1620
Atom HB3 of residue 69
P7266
Atom HH22 of residue 72
P6468
P5774
P139
P6409
P8852
P6
Atom CA of residue 67
P4190
P5189
P5785
P6774
P7420
P1529
P4087
P3989
P6004
P10689
Atom HD22 of residue 50
P3834
P3324
Atom HD12 of residue 13
P3295
P2701
P6490
P4943
P7486
P7672
Atom CD1 of residue 56
P3
P2615
P1449
P1331
P4161
P6619
P3818
P8151
P7738
P4570
P7607
P9332
P4476
P6249
P5630
P2286
P4399
P3894
P2141
P6469
P6875
P6153
P3763
Atom C of residue 35
P6874
P5272
P7485
Atom HG3 of residue 74
P7167
P8131
P2002
P1471
P4475
P5036
P2687
P5909
P4627
P11978
Atom HB3 of residue 20
P1653
P8487
P2739
P3393
P7754
P5404
P5337
P5531
P5255
Atom H of residue 35
P5937
P1660
P9978
P8304
P7411
P13243
P4409
P1918
P7579
P2339
P7879
P2740
P7056
P39
P3671
P192
P5046
P4595
P6804
P5389
P4019
P6979
P4415
P5812
P6394
P5160
Atom CB of residue 4
Atom HD13 of residue 13
P2654
P1
P6404
P11401
P8123
P6960
P4252
P6410
Atom CA of residue 44
P1503
P2855
P6840
P1483
LEU
P2826
Atom HG3 of residue 64
ListSingletonContainer258
P6767
P3857
P5047
P2149
P4206
GeneralizedGuinierPorodFunction 40
Atom HB3 of residue 51
P4943
P8518
Atom H of residue 22
P2150
P6876
P161
P4438
P8853
P6875
P1332
P12726
P8424
Atom CB of residue 63
Atom HA3 of residue 35
Atom HD12 of residue 15
P2168
P5400
P3141
P5784
P6001
Atom O of residue 77
P1621
P6778
P1453
P3270
P3896
P3764
P3829
P55
P8328
P6469
P1865
P7739
P7608
P9333
Atom CA of residue 13
Atom CA of residue 19
P320
P4191
P5786
P1506
P4088
P3990
P2527
P6154
P3835
P3325
P6775
P7267
P7978
P8132
P3296
P2702
P6491
P6005
P11979
P7487
P7673
Atom O of residue 35
Atom HG12 of residue 44
P1496
P4162
P6620
P7421
P3819
P8152
P4571
P4477
Atom HG of residue 50
P5338
P5631
Atom CA of residue 50
P5256
P4400
P3895
P5938
P1981
P2655
P5775
P6470
P6432
P9979
P1919
P1654
P1450
P5273
P7486
P7168
P4476
P5037
P2688
P6250
P5910
P7412
P4628
ListSingletonContainer546
P5188
P2092
P6805
P2740
P3394
P7755
P10690
P5405
P4938
Atom N of residue 21
P2616
P5532
P2112
P6395
Atom H of residue 26
P8305
P11402
P6961
P13244
P4410
P8329
P5047
P6841
P6
P8425
P7880
P1530
Covariance1DFunction 19
P2741
P3672
Atom CB of residue 35
Atom HG21 of residue 44
P4596
P5048
P4020
P2287
P6980
P8519
Multivariate Normal distribution 13
P6842
P4416
P1504
P5813
P1484
Atom CG of residue 63
P5161
P1960
P5401
P1
P8124
P4253
P6411
P2856
Atom C of residue 67
P5785
Atom HD2 of residue 74
P12727
Atom CB of residue 77
P2827
P6779
P1454
P2062
ListSingletonContainer63
P3858
P7580
P4207
Atom CD2 of residue 69
P2031
P8488
Atom HD13 of residue 13
P2003
Atom N of residue 65
P2528
P6877
P4439
P6876
P1507
P1472
P6768
P3142
P6002
Atom N of residue 36
Atom HD13 of residue 15
P3271
Atom OE1 of residue 51
P3897
ListSingletonContainer178
P3830
P7422
Atom CG1 of residue 3
P8153
P2169
Atom HA of residue 11
P7057
P1661
P7609
P9334
P4192
P5632
P1469
P4089
P3991
P4938
P5776
P6433
P2
P3836
P1497
P3326
P1329
P5390
P7979
P8133
P1866
P3297
P2703
P2151
P6492
P6405
P7413
P11980
P2093
P4163
P2150
P7268
P3820
P4572
P2656
P4478
Atom CG of residue 35
P4
P5533
P6470
P4401
P3896
P8306
Atom HD11 of residue 50
P8854
P1655
P5190
P5274
P5787
P7881
P1531
P4477
P2689
P9980
P6251
P4629
P6843
Atom HG22 of residue 44
P2741
P3395
P10691
P5406
P4939
P7488
P1920
P7674
P2617
P6806
P6621
P6776
P2032
Atom HD3 of residue 74
P6396
Atom C of residue 50
Atom CA of residue 17
P7747
P1952
ListSingletonContainer257
P6006
P11403
P6962
P13245
P4411
Atom H of residue 62
P8330
Atom CA of residue 9
P5048
Atom O of residue 67
P2288
P1622
P8426
Atom HA of residue 26
P2742
P2063
P6471
P6155
P3765
P3673
ListSingletonContainer433
P163
P7581
P4597
P5049
P7487
P4021
P8490
P6981
P2004
P5939
P5038
P5911
P4417
P5162
Atom OE1 of residue 2
P7756
P6769
P6406
P4254
P5335
P2857
P1451
P5786
P1333
P2828
ListSingletonContainer67
P3859
P5391
P4208
P5259
P1473
P7058
P4440
P8855
P6842
P12728
Atom CD2 of residue 4
P6780
P7740
P1455
Atom O of residue 58
P3143
P5814
P6003
P7980
P0
P3272
P1662
P8520
P3898
P3831
P8125
P6413
P1481
P1470
P7171
Atom OE2 of residue 51
P47
P4193
Atom C of residue 36
P7423
P6471
P1867
P4090
P3992
Atom HB2 of residue 11
P4939
Atom HB3 of residue 16
P2152
P6878
P4875
P3837
P6877
Atom HG21 of residue 14
P5191
P3327
Atom HD3 of residue 74
P2151
P6622
P5788
P3298
Atom C of residue 17
Model 262
P2704
P5402
P6493
ListSingletonContainer314
P6844
P321
Atom N of residue 40
Covariance1DFunction 69
P5633
P1494
P4164
P1623
P8491
P3821
P4573
P5777
P4479
P10692
P5407
P7489
Atom HA of residue 20
P7675
Atom HE of residue 74
Atom O of residue 50
P4402
P3897
P5940
P2170
Atom CG of residue 58
P7610
P9335
P3766
P13246
Atom HA of residue 62
P5275
P2094
P5260
ILE
Atom CE1 of residue 59
P4478
P6472
P2803
P6156
P4630
P5534
P7488
P2742
P1508
P8134
P3396
P5039
P6434
P5912
P11981
P2618
P6777
P7269
Atom CD of residue 63
P6397
P7882
P1532
P5163
Atom N of residue 11
P8521
P7757
P6007
P4412
P6843
P1334
Atom HG21 of residue 22
P7741
P2743
Atom N of residue 27
P3674
P1921
P7582
P1656
P4598
Atom CD2 of residue 4
P4022
P2035
P6982
P2529
P6252
P4418
P2289
P8154
P2064
P2657
P5403
P9981
P6407
P4255
P5336
P2858
P5815
P2829
P2005
Atom CZ of residue 59
P4875
P6770
P3860
P11404
P8126
P6963
P1372
Atom HG23 of residue 44
P5049
P1452
P6807
P5392
P4209
P8428
P1
P66
P4441
P8856
P5050
P12729
P7059
Atom HG2 of residue 16
P6879
P4876
P3144
P6878
P8331
P6004
Atom CA of residue 77
P1953
P3273
P3899
P93
P8307
P7414
P3832
Atom C of residue 40
P5634
P5787
P1837
P1456
P4194
P8494
P7172
P7981
P1
P4091
P3993
Atom OD1 of residue 58
P7611
P9336
P6435
P56
P3838
THR
P5192
P3328
P1335
P1482
P6623
P5789
P2033
Atom CA of residue 36
P3299
P7742
P2705
P6494
Atom HG22 of residue 14
P5535
P4165
P8135
P3822
P5261
P8155
P4574
P2153
P4480
P6845
P11982
P7490
P7676
P6778
P7270
P6398
P7883
P6781
P4403
P1474
P3898
P2530
P6008
P6412
P5069
Model 315
Atom CB of residue 67
P5276
Atom CG of residue 34
P1495
P1624
P1509
Atom HA of residue 18
P4479
LYS
P1525
Restraint 173
P10693
Atom HD23 of residue 15
P7415
P4631
ModelScoringFunction9
P164
VAL
P1657
P7489
P2743
Atom H of residue 63
P7424
P3397
P5040
P1663
Model 53
P5913
P6157
P1373
P2619
P2095
Atom HE of residue 74
P1471
Atom HG23 of residue 22
GaussianProcessInterpolation3
P8522
P5778
ListSingletonContainer252
P8308
P4413
P1922
P2036
CHARMMStereochemistryRestraint11
P6472
P2744
P4876
P3675
P11405
P6964
Atom HD11 of residue 44
P5050
P4599
P2152
P4023
P6983
P1533
P1868
P6253
P4419
P5051
Atom OH of residue 59
P5404
P9982
P4256
P8332
P2859
P5816
P1453
P2830
Atom HB2 of residue 18
P2171
P1954
P3861
P5408
P8127
P5788
P6808
P4210
P2034
P6782
P1665
P6473
P3767
P4442
P13247
P7583
Atom CD1 of residue 34
P7982
P2006
P6436
P162
P3145
P6005
Atom CE of residue 1
P5941
P1457
P3274
P2065
P7758
P3900
P6408
P3833
P5070
P5164
P7060
P1329
P4195
P5635
P5394
P2290
P7
Atom HH11 of residue 74
P1838
P6473
P1475
P4092
P3994
P7612
P9337
P52
P6771
P8857
Atom HB2 of residue 62
P3839
Atom CG of residue 67
P5193
P3329
P1
P12730
P8427
P3300
P2706
P71
P6495
P10694
P5410
P7416
P6844
P4166
P8136
P3823
P8156
P4575
P4481
P11983
P6414
P5536
P1336
Atom HH11 of residue 74
P1472
P8492
P4404
Atom N of residue 36
P3899
P5779
P1526
Atom HA3 of residue 10
Atom HG3 of residue 16
P5277
P1668
P7271
P7884
P5257
P4480
P6474
P6880
P4632
P1374
P6879
P5112
P2096
P2153
P5790
P6779
P2744
P7425
P1869
P3398
Atom CB of residue 37
P6009
Atom N of residue 16
P2620
P1625
P1955
P5262
P9983
P8309
P6254
P13248
P7491
P4414
P7677
P6624
P2172
P2745
P6158
P4877
P3676
P11406
P194
P6846
P6965
P5051
P6809
P4024
P6984
Restraint 39
P2531
P2154
P3768
P1
P7584
Atom CE1 of residue 45
P4420
P5052
P7490
P8493
P7173
P1534
P5165
P5942
P5041
P5914
P4257
P57
P322
P2860
P2831
P2066
P2658
P7759
P3862
P6409
P5071
Atom O of residue 40
P5789
P1337
P4211
Model 337
P6399
P1510
P2007
P7743
Atom HA of residue 5
P7061
P4443
Atom HH12 of residue 74
Atom HG13 of residue 13
P8523
ASP
Atom H of residue 57
P74
P6881
P5411
P3146
P8858
P6880
P1658
P6845
P5194
Atom CA of residue 20
Atom CD2 of residue 34
P6006
P2035
P7983
Atom HA2 of residue 35
MD 2
P3275
P1666
P5405
P3901
P3834
P5817
P1669
P25
P8128
P6415
P1923
P8335
Atom CD1 of residue 67
P4196
P8429
Atom HA of residue 63
P6474
Atom H of residue 59
ILE
P4093
P3995
P6437
ListSingletonContainer179
P6772
P4878
P3840
P3330
P12731
P2037
P3301
P2707
P2659
P5263
P6496
Atom HG2 of residue 62
P5113
P4167
P5791
P6780
P7426
P1512
P3824
P5258
Atom HG23 of residue 26
P4576
P4877
P4482
P6010
P10695
P7417
P58
Atom N of residue 17
GaussianProcessInterpolation53
P6783
P1839
P4405
P3900
Atom HG21 of residue 26
P5780
ListSingletonContainer163
P7492
P7678
P5278
P6625
P4481
P6475
P7613
P9338
P6159
P4633
P11984
P5636
LEU
P1473
P5393
P2291
P1626
P2745
Atom HB of residue 22
P3399
P2621
P7491
P7174
P6400
P8137
P8157
P5943
P5042
P5915
Atom HB3 of residue 29
P5413
P13249
P4415
P2154
Atom H of residue 64
P2746
P7760
P3677
P6847
P8336
Atom CB of residue 40
P5537
P4025
P6985
Atom HB2 of residue 63
P1458
P1527
P9984
P95
P6255
P7585
P4421
P7272
P7885
P5166
P1478
P7744
P2173
Model 48
P8524
Atom HA of residue 57
P4258
P1445
P2861
P6846
P6810
P2832
P1956
P4878
P5406
P3863
P193
P5072
Atom HG13 of residue 44
P5818
P1349
P4212
P2038
P3769
P4444
P11407
P8129
P6966
P1659
P5052
Atom C of residue 20
P8430
bonded
Atom HA of residue 59
Atom HB3 of residue 38
LYS
P1797
P57
P6438
P8310
P6882
P6773
P3147
P6881
P5053
P2097
P6007
P3276
P2532
P2155
P3902
P3835
P1670
P12732
P1870
P6416
P59
P4197
P5790
Atom HH12 of residue 74
P1536
P6784
P4094
P3996
P2660
P163
P4879
P1924
P3841
P3331
P1513
P3302
P2708
P7614
P5264
P9339
P6497
Restraint 586
P11985
P5114
Atom CD2 of residue 67
P4168
P5792
P2036
P1840
P3825
P4577
P4483
P6410
P6781
P7984
P8138
P4406
P8158
P7745
P3901
P7062
P2067
P6011
Atom HG2 of residue 29
P5416
P7493
P7679
P5279
P5395
P6626
P2292
P7427
P2008
Atom HA of residue 64
P6475
P4482
Atom HG22 of residue 26
P0
P10
P4634
P6848
P8859
Atom CE1 of residue 45
P1350
P2746
P3400
Atom HG3 of residue 38
P9985
P2622
P5195
P7492
P6401
P5043
P1667
P5916
P3770
P4416
P1446
P5637
P6811
P7175
P2894
P5944
P1957
P1798
P1459
P2747
P5781
P1528
P10696
P7418
P3678
P8337
P5538
P4026
P6986
P6476
P11408
P6967
P4422
P1314
P5053
P0
P1474
P2155
P7273
Atom HH21 of residue 74
Atom HB3 of residue 63
P7886
P1871
P8311
P4259
ListSingletonContainer547
Atom HG3 of residue 62
P2862
P5054
P2098
Atom HH21 of residue 74
P2833
P1537
P1479
P4879
P2533
P7761
Atom O of residue 5
P3864
P6411
P13251
Atom CB of residue 48
P5819
P6847
P4213
P2039
P6160
P4445
P8130
P323
P1671
P5791
P8431
Atom CA of residue 36
P2156
P6439
P5417
P3148
P7586
P8860
P60
P6008
P1627
P6785
P5168
Atom HB2 of residue 42
Atom CA of residue 27
P3277
P3903
ListSingletonContainer458
P3836
Atom H of residue 67
P13094
P8525
P6774
P6417
P5073
P4198
P4095
P3997
P7063
P6256
P3842
P5196
P3332
P5396
P12733
P2037
P7428
P2434
P6476
P3303
P2709
P7615
P9340
P6498
P6883
ScoreState 13
P6882
P1660
P5115
P5638
P4169
P3826
P2174
P4578
P2068
P5407
P4484
P7985
P8139
P2009
P4407
P3902
P11986
P5280
P4483
P5782
P4880
P4635
Atom HE21 of residue 62
P5539
P2747
P2895
Atom CB of residue 70
P3401
P1668
P6477
P5266
P1925
P2623
P1475
P2293
P5793
P7274
P1
Atom HH22 of residue 74
P7887
P13159
P1514
P2661
Atom HB2 of residue 57
P9986
P6849
P4417
P1825
P1538
P2748
P8526
P7762
P10697
P7419
P3679
P7494
P1443
P7680
P8333
Atom CG of residue 48
P6812
P2156
P4027
P6627
P6782
P6987
P1872
P1958
P6012
P6161
P5415
P11409
P6968
P4423
GLN
P5054
P1338
P4260
P7587
P2863
UnaryFunction21
P5055
P7493
P6403
P2834
Atom HB3 of residue 42
P8159
P5044
P5408
P66
P5917
P3865
P6412
ListSingletonContainer434
Atom HH22 of residue 74
P4214
Atom C of residue 36
P6775
Atom HA of residue 29
P4446
P6418
P5074
P5792
P8432
P7176
Atom O of residue 28
P5945
P1460
P90
P1529
P6440
P6257
P3771
P165
P3149
P8861
P6009
P2040
Atom CE of residue 63
Atom CE2 of residue 59
P3278
P3904
P6884
P3837
P6883
P1661
Atom O of residue 43
P1628
P7746
P4880
P8312
P5820
P4199
P7986
P1841
P4096
P3998
P2534
P8131
P13250
P3843
P1306
P6848
P5197
P3333
P5397
P12734
Atom HB2 of residue 64
P3304
P8161
P2175
P7064
P2710
Atom HG of residue 57
P2157
P6499
P4881
P2099
P4170
P7429
P6786
P3827
P1476
Atom HG21 of residue 26
P4579
P4485
P5414
P5794
Atom H of residue 28
P13029
P5167
P4408
P3903
P6850
P8334
P5281
P4484
P2
P5783
P10698
P7420
P4636
P7495
P1926
P7681
Atom HE2 of residue 4
P5116
P6628
P2748
P8140
P2896
P3402
P5045
P7616
P9341
ListSingletonContainer315
Atom HE22 of residue 62
P2624
P1339
Atom CD of residue 38
P4418
P1307
Atom O of residue 4
Atom OE2 of residue 18
P5540
P7494
Atom CD2 of residue 45
P1515
P2749
P2069
P8527
P0
P8313
P5918
P3680
P11987
P1444
P4028
P7275
P6988
P7888
P2010
P6477
Atom O of residue 36
P1799
P6013
P4424
Atom HD3 of residue 27
P5639
P3
P8433
P2038
P13030
P6441
P6162
P4261
P7588
Atom CA of residue 40
P2864
P6783
P2835
P1535
P1842
P5265
P5409
P3866
Atom HB2 of residue 29
GaussianProcessInterpolationRestraint 21
P4215
P1461
P4881
P1530
P9987
P4447
P5075
P5821
P2294
P7177
P5946
P1664
P6478
P6776
P11410
P8132
P6969
P3150
AngleSingletonScore9
P5055
P6813
P6010
Atom N of residue 75
Atom CB of residue 43
Atom HB3 of residue 64
P8162
P1959
P3905
P3838
P5056
P2100
P1476
Atom NZ of residue 63
P2662
P7763
P6413
P13252
P4200
Covariance1DFunction 92
P6402
Atom HA of residue 28
P13031
P1477
P8194
P3999
P2176
P3772
Atom CZ of residue 128
P5409
P3844
P1662
P6849
P5793
P3334
P5398
P6478
P3305
P3279
P2711
P2158
P6500
Atom N of residue 2
P6258
P8862
Atom CD of residue 6
P4171
P7987
P6787
P8141
P3828
P5169
P1644
P4580
Atom N of residue 58
P7617
P9342
P4486
P1317
Atom CD of residue 48
P1340
P2157
P5795
Atom N of residue 75
P4409
P3904
P1800
P7065
P5541
P5282
P1629
P1336
P4485
P4637
P6851
P11988
P6419
P7496
P7682
P324
P5117
P5199
P6629
P12735
P7276
P2749
P7889
P2897
P3403
P5046
P2535
P6479
P6885
P6014
P6884
P2625
P2039
P13032
Atom CB of residue 9
MolecularDynamicsMover2
P10699
P7421
P4419
P5640
P7495
P6784
P7430
P2011
Atom HA of residue 48
P2750
P8314
P5919
P3681
P1
P4029
P6989
P8197
P2070
P5784
P8236
P4882
P4425
P1672
P7178
Atom HD2 of residue 42
P5947
P5267
P11411
P6970
P4262
P166
Atom HB3 of residue 62
P5056
P2865
GLY
P2836
P1337
P6259
P3867
P5057
P4216
P2663
P7764
P9988
P6163
P6414
P4448
P1927
P1308
P5822
P1566
P7748
Atom NH1 of residue 128
P8133
P13254
P1380
P3151
P6850
P5794
P6814
P6011
P1477
P5399
P1
P8528
Linear1DFunction 3
P3906
P6886
P3773
P3839
P7589
P8863
P6885
P6404
P7988
P6788
P5170
Atom N of residue 70
ListSingletonContainer76
P5410
P55
P6420
P4201
Atom HE3 of residue 27
P1341
P2158
GLY
P1318
P4000
P7066
P5076
P3845
P4803
P2101
P3335
P6479
P3306
Atom CB of residue 33
P1
P3280
P2712
P6501
P164
P4883
Atom HD23 of residue 15
P4172
P2295
P8434
P2041
P1276
P3829
P2177
P4581
P7618
P9343
P6442
P6777
P4487
PairPredicate 9
P1663
P1630
P1511
P4410
P1645
Atom C of residue 43
P8163
P3905
P1962
P1462
P4882
P2159
P10700
P7422
Atom CE of residue 48
P5283
P1673
MET
P8142
Atom HB2 of residue 48
P4486
ASP
P2690
P4638
P11989
P5118
P5542
P12736
P2750
P2898
P3404
P2536
P5785
P6480
P5412
P1531
P2626
P7277
P7890
P5268
P4420
P0
P5796
P6785
P7431
P2751
P6015
P3682
P4030
P6990
P7749
P8198
P7765
P9989
P6164
P7497
P1928
P7683
P4426
P5641
P6630
Atom HE2 of residue 4
P99
P8237
P11412
P6852
P6971
P4263
P5057
P2866
P5198
P6815
P2837
Atom HG3 of residue 37
Atom HG2 of residue 64
P8529
P3868
P195
P7590
P1466
Atom C of residue 37
P5058
P7496
P4217
P7179
P6405
P1843
Atom HZ3 of residue 48
P5948
P5047
P4883
P5920
P4449
P1381
P1342
Atom CA of residue 43
P8435
Atom CA of residue 28
P6443
P6260
P3152
P5077
P4804
Multivariate Normal distribution 21
P5795
P6012
P2040
Atom CG of residue 33
Atom HB2 of residue 20
P3907
P8315
P6887
P3774
P17
P3840
P6886
P2042
P5171
P2664
P6421
P4202
P6851
P7989
Atom HD3 of residue 42
P4001
P1963
P2071
P1532
P3846
P5823
Atom N of residue 16
P3336
P2296
Atom HE21 of residue 2
P2012
P3307
P8164
P3281
P2713
Atom CA of residue 58
P6502
P2691
P4884
P8134
Atom OG1 of residue 14
P1664
Atom HD2 of residue 37
P4173
P3830
Atom O of residue 43
P4582
P5415
P6778
P4488
Atom HG2 of residue 27
P2102
P1478
P12737
P1631
P4411
P3906
P1465
P6415
P7498
THR
P5642
P5284
P5797
P6786
P7432
P6789
Atom N of residue 49
P4487
P6016
P10701
P8238
P7423
P4639
P5119
P2159
P2751
P2899
P6480
P3405
P7750
P5786
Atom NH2 of residue 128
P13255
P7684
P8864
P2627
P5400
P6631
P1844
P1801
Atom HB3 of residue 20
P7619
P5269
P9344
P4421
P325
Atom CA of residue 75
Atom HD2 of residue 37
Atom HG3 of residue 64
P2752
P7067
P3683
P7497
P4031
P2041
P7180
P6991
P8143
P1646
P5949
P2178
P5048
P2537
P5921
P11990
P1929
P4427
P5200
P6481
P6853
P4264
P1467
P4805
P2867
P5543
P2838
P9990
P8316
P3869
P7591
P1
Atom HH22 of residue 72
P4218
P7278
P6406
P7891
Restraint 17
P4884
P7766
P2160
P6416
P4450
Atom NZ of residue 48
P6852
P6816
P8436
MET
Atom CD of residue 33
P2072
P6444
P6261
P3153
P5078
P5824
P6013
P2013
P3908
P11413
P196
P3841
P8135
P6972
P13256
P8865
P5058
P2043
P6790
P5172
Atom HG2 of residue 42
Atom CB of residue 43
P6779
P1382
P4203
P5059
P4002
P8530
Atom CA of residue 32
P6165
Atom N of residue 129
P75
Atom CG2 of residue 14
P3847
Atom HD3 of residue 37
P3337
P5401
Atom HG3 of residue 48
P3308
P1802
P2714
P6503
P2692
P1674
P5796
P2103
P1343
P4174
P3831
P6481
P1964
P4583
P1533
P6888
P4489
P6854
P6887
Atom HG3 of residue 11
P4412
P3907
P7620
P9345
P6423
P7499
P5285
P1479
P2160
P5798
Atom HE1 of residue 1
P4488
P7068
P2665
P55
P165
P4640
P5120
P2297
P12738
P6787
P2752
P7990
P2051
P8144
P2900
P1647
P3406
GLN
P6017
P4885
P11991
P7685
P2628
P5201
P7498
Atom C of residue 75
P6632
P7433
Atom HG22 of residue 3
P7751
P0
P6482
P5270
MD 3
P4422
P4806
Atom H of residue 48
P1632
P2753
P5416
P9991
P8239
P3684
P4032
P6992
Atom HA of residue 17
Atom HD3 of residue 37
Atom HB of residue 70
P5049
P8531
P7767
P5922
P1468
P4428
P6817
Model 121
P2042
P7181
P5950
P5787
P10702
P7424
P4265
Atom HZ1 of residue 63
P2868
P5544
P2839
P1766
P2161
P3870
P11414
P6973
P5059
P5643
P4219
P7279
P6407
P7892
P5173
P2
P1466
P6417
P4451
Atom HB3 of residue 4
P5060
P1675
Model 24
P6166
P3154
P1930
P4807
P5825
P6853
P6014
Atom HG22 of residue 3
Atom HD2 of residue 48
P8160
P2179
P2666
P3909
P3842
P8136
P13257
P1383
P8866
P5797
Atom HB of residue 17
P1965
P2073
Atom C of residue 32
P80
P6889
ListSingletonContainer548
P7592
P6888
Atom HD2 of residue 11
P4204
P2014
Atom HG3 of residue 42
P3077
P4003
P4885
P2538
Atom HB3 of residue 57
P8317
Chain A
P3848
P3338
P5402
P8438
P2044
P3309
P2715
P6446
P6504
P6780
P6262
LEU
P2693
P5079
P5644
P4175
P3832
P4584
P4490
P2
P4886
Atom O of residue 75
P7434
Atom C of residue 41
Atom HE of residue 42
P4413
Atom O of residue 33
P3908
P7621
P5271
P9346
P4808
P5202
P5286
P1633
Atom N of residue 65
P4489
P8240
P4641
P5121
P12739
P2753
P7991
P8145
P2901
P3407
Atom CG of residue 43
P7069
P3776
P11992
P2629
P5061
Atom HA of residue 1
P3
P1661
P5788
P1534
P4423
P8242
Atom HZ2 of residue 63
Atom N of residue 38
P5545
P2298
P1845
P1648
P2754
P1767
P3685
Atom HA of residue 48
P4033
P5799
P7280
P6993
P6408
P7893
P8532
P9992
P8318
P11415
P6422
P4429
Atom N of residue 74
P6791
P6482
P79
P10703
P7425
P4266
P7500
P1931
P7686
Atom CD of residue 6
P2869
Atom CG of residue 1
P2104
P7499
P6818
P6633
P6788
P2840
P1467
P2539
P6018
P3871
P6974
P5060
P2051
P1480
Atom CA of residue 49
P7752
P1803
P2162
P3777
P4452
P7593
P1344
P0
P2043
P2180
P3
P5050
P4886
P5414
P5923
ListSingletonContainer462
P3155
P6015
P2161
P6483
P3910
P6167
ListSingletonContainer435
P3843
P5080
P1469
P5798
P3
P4220
P7182
Atom N of residue 52
P5951
P326
P4205
P2045
Atom HG11 of residue 17
P3078
Atom CD1 of residue 43
P4004
P1980
P7768
P6418
P3849
P3339
Model 365
SER
P3310
P2074
P2716
P6505
P6263
P2694
P5826
Atom CA of residue 38
P4176
P7992
Atom CB of residue 41
P1846
P3833
P2015
P6483
P4585
P4491
P8137
P167
P8867
Atom N of residue 7
Atom CA of residue 4
Atom H of residue 5
P4414
P3909
P1681
P2667
Atom CA of residue 129
P3
P8243
P5203
P5287
P7435
Atom HH11 of residue 42
P5174
P4490
ListSingletonContainer72
P4642
P13253
P62
P5122
Atom H of residue 75
P5404
P5800
P2754
P6792
P2902
P3408
P7903
P2540
P1662
P1535
P1384
P2630
ARG
P5645
P8437
Model 182
P1311
P1804
P5789
P6484
P6445
P6890
P10704
P7426
P7501
P4424
P7687
P6889
P6634
P2755
P7070
P7622
P9347
P6781
P3686
P6424
P1481
P4034
P6994
P8319
P4809
P4430
P5546
P2105
P7500
P2299
P12740
ASP
P8146
P1649
P1566
P5051
P5924
ListSingletonContainer316
P4887
P4267
P11993
P2870
P1355
Atom CD1 of residue 13
P2162
P6789
P7281
P2841
P7894
Atom HB3 of residue 48
Atom C of residue 49
P6019
P3872
P2044
P3
P7753
Atom N of residue 32
P5272
P4453
P7594
P4
P1634
P2
Atom HE3 of residue 48
P7769
P6419
P11416
P4087
P3156
P1470
Atom HZ3 of residue 63
P5320
P1676
P6016
P2163
P3911
P9993
P3844
P5081
P5827
P5322
P4221
P7183
P5175
P5952
P2181
P1768
P8533
P6264
P8138
P6975
P8868
P6890
P4206
P6819
P3079
Atom HG22 of residue 36
P4005
P2075
P6782
P6168
P3850
P1503
Atom C of residue 38
P3340
P6409
P2016
P3311
Atom CE1 of residue 45
P1966
P2717
P6506
P6891
P8297
P2695
P8240
P5646
Atom HA2 of residue 75
P4177
P6793
P3834
P6484
P7904
P4586
P1682
P5411
P4492
Atom C of residue 129
P4888
P1385
P1932
P5204
P5799
P1356
P4415
P3910
P5321
P5288
P7993
P4491
P7071
P4887
P2668
P7623
P9348
P4643
P6425
P5123
P5801
P8439
P2755
Atom HG2 of residue 42
P2903
P1351
P3409
P6447
P4810
P2631
P5547
P8147
P6485
P5273
P3778
P11994
P7502
P4425
P7688
Atom CD1 of residue 61
P6635
P6790
P7282
P7895
P2756
P6020
P3687
P1677
P4035
P2046
P6995
P1650
P7754
ListSingletonContainer73
P10705
P7427
P4431
P5323
P7501
P12741
P7184
P3
P7436
Atom HG2 of residue 48
P1967
Atom HZ1 of residue 48
P5052
P7770
P5925
P4268
P4176
Atom N of residue 64
P2871
Atom CG1 of residue 5
P1482
P5403
Atom CA of residue 52
P2842
P1805
P1463
P5790
P3873
P0
P1504
P1635
Atom HD2 of residue 42
P6410
P5953
P1769
P8534
P9994
P4454
P11417
P6976
P2163
Atom HH12 of residue 42
Atom HG23 of residue 36
P4888
P6169
P3157
P5322
P6017
Atom CA of residue 65
P1663
P3912
P1536
P3845
P8241
P5828
P2106
Atom CG of residue 15
P4222
Atom OD1 of residue 21
P1848
P1352
P5176
P8320
Covariance1DFunction 52
P8139
P168
P4207
P5800
P6820
Atom NH1 of residue 61
P4006
P2164
P7595
P3851
ScoreState 21
Atom CA of residue 74
P3341
P2045
P7994
P3312
P2718
P6507
P6892
P6265
P2696
ListSingletonContainer573
P1933
P6891
P327
P4178
P2300
P8440
P3835
P4587
P6448
P4493
P4889
P6426
P5082
P1471
P4811
P6794
P4416
P3080
Atom HA of residue 43
P7905
P3911
P5289
P1968
P4492
P7624
P9349
P6420
P4644
P4177
P1386
P5124
Atom CD1 of residue 15
P2756
Atom OD2 of residue 21
P2904
P3410
Atom O of residue 49
P2182
Model 217
P2541
P2669
P10706
P166
P7428
Atom HA of residue 17
P2632
P1316
P8148
P6485
P2076
P5274
P11995
P4426
P8869
P5323
P5548
Atom O of residue 20
P12742
P5802
P2047
Atom HH21 of residue 42
P2757
P1683
P5791
P9995
P6783
P3688
P1505
P0
P1485
P4036
P7283
P6996
P7896
P4432
P5324
P0
P5405
P6791
P7437
P2017
P6021
P4269
UnaryFunction30
P1306
P2872
P2843
Atom NH2 of residue 61
P7755
P1464
P6486
P3874
P7503
P7689
P7596
Atom CG of residue 4
P5205
Atom C of residue 74
P5647
P6636
P6411
P7072
P2691
P8321
P3779
P4455
P11418
P6977
P6821
P2166
Atom C of residue 65
P1806
P8400
P4889
P7771
P1664
P1537
Atom O of residue 129
P6421
P3158
P4
P2107
P7502
P6018
Atom CB of residue 20
P1849
Atom CG of residue 37
P5954
P1969
P5053
P3913
P5926
P198
P3846
P1388
Atom HA3 of residue 75
P6893
P5083
P8870
P4208
P5801
P8445
P2046
Atom HB2 of residue 43
P4007
P38
Atom HB of residue 17
P3852
UnaryFunction7
P6855
P3342
P2301
P1636
Atom C of residue 52
P3313
P8535
P2719
P6508
P6266
P2697
P8140
P1472
P4179
P8441
P7995
P3836
Atom CB of residue 49
Atom HD2 of residue 48
P4588
P2542
P2165
P6449
P4494
P6427
P4812
P2108
P5178
P6486
Atom C of residue 38
P4417
P3081
P1651
P3912
P1770
P0
P5290
P5803
Atom H of residue 21
P4493
P6784
P6170
P4645
P4178
P5125
P1678
P7185
P2757
P2905
P3411
Atom CB of residue 129
P5326
P2633
P5206
P5406
P6792
P7438
P2018
P6022
P10707
P7429
P4890
P4427
P1307
GLU
Atom HG23 of residue 5
P5325
Atom CD2 of residue 15
P7756
P2758
P2077
P5792
P6487
P3689
P7504
P7690
P6893
P4037
P6637
P6997
Atom HH22 of residue 42
P6795
P7906
P7073
P1684
P7625
P9350
P1389
P1934
P4433
Atom N of residue 76
P1486
P12743
Atom O of residue 65
Atom O of residue 38
Atom HG13 of residue 36
P8401
P8536
P36
P4270
P2873
Atom O of residue 74
P7503
Atom OG of residue 20
P2844
P8149
P5955
P2183
P5054
P5276
P5927
P3875
P11996
P7597
P2167
Atom N of residue 62
P1982
P1807
P2670
P7772
P2692
P4456
P5549
P8446
P6422
P3159
AngleSingletonScore2
P6856
P5648
P6019
P7284
Atom CB of residue 52
P7897
P4
P1487
P3914
P3847
P8141
P4821
P6822
P2048
Atom HD3 of residue 42
P6428
P5084
P8871
P5327
P4209
P1679
P2302
P1637
P6413
P4008
P1771
P11419
P6978
P3853
P3343
P3314
P4890
P2720
P6509
P8322
P6171
P3780
P2698
P197
Atom C of residue 64
P5802
P1345
P4180
P8442
P3837
P1652
P4589
P1538
P6450
P6785
P4495
P1506
P1315
P4418
P3082
Atom CG of residue 49
P3913
Atom HD3 of residue 48
P74
P4891
P5291
P4494
P1665
P9996
P4646
P4179
P5126
P7186
P2758
P2906
P3412
P1979
P7626
P9351
P6267
P1935
P2634
P5207
Multivariate Normal distribution 29
P0
P5407
P12744
P5804
Atom CD2 of residue 43
Atom CG of residue 129
P4428
Atom HB2 of residue 42
P2108
P6793
P2047
P7996
P8150
P2759
P7773
P0
P6023
P3690
P11997
P7505
P7691
P5649
Atom HZ2 of residue 48
P4038
P6638
P6998
P7439
P6796
P5177
P1329
P7907
P7757
P167
P4434
P0
P2184
P7074
P8537
P2543
ListSingletonContainer150
P4271
P8232
P328
P2874
P6857
P7504
P1346
GLY
P2845
P6487
Atom HG21 of residue 36
P5055
P2166
P5928
P3876
P1390
P1473
P6892
P5324
P6823
P2054
Atom HE of residue 42
Atom CB of residue 65
P5956
P5793
P2693
P8325
P10708
P7430
P4457
P4813
P1308
P5550
ILE
P1488
P2078
P7176
AngleSingletonScore11
P11420
MD 4
P6979
P3160
P6020
P7285
P7898
TRP
P2019
P4891
P1685
P3915
P3781
P3848
P5803
P8443
P1847
P1808
P6488
P1819
P6451
P1507
P4210
P2109
P2303
P4009
P5275
P8142
LYS
P3854
P8233
Atom CB of residue 74
P3344
P3315
P2721
P2671
P1539
P9997
P6510
P2699
P6423
P4892
P7598
P1474
P5325
P1680
P4181
P3838
P8239
P8402
P4590
P1772
P4496
P6172
Atom O of residue 64
P1343
P6488
P4419
P3083
P7908
P3914
P2544
P1666
P5085
P8872
P5292
Atom HB3 of residue 42
P2048
Atom CG of residue 52
P4495
P4647
P4180
ListSingletonContainer549
P5127
P5412
Atom HZ3 of residue 48
P8447
P2759
P7440
P6412
P6797
P2907
P3413
Atom HG13 of residue 5
P7627
P9352
P6268
P63
P2635
P5408
P1970
P6786
P4429
Atom CG of residue 74
P7997
P8151
P5179
P1653
Atom H of residue 43
P2760
P6489
P6894
P3691
P11998
Model 316
P1483
P4039
Atom HG2 of residue 33
P6999
Atom HH11 of residue 42
P8241
Atom OG of residue 65
P5794
P4814
P4435
P1344
P5551
P1638
P2079
P2167
P4272
P6429
P2875
P5209
P2164
P5805
P7286
P2846
P7899
Atom CA of residue 62
P3877
P1570
P2185
P7075
P4892
P2694
P8326
P7431
P4458
P7506
P7692
P6824
Atom CA of residue 76
P6639
P6794
P7187
bonded
P8403
P1686
P92
P6024
P11421
P6980
P3161
Atom CA of residue 33
P6858
Atom HG13 of residue 26
P6021
P1347
P2020
P7758
Atom CG2 of residue 5
P3916
P1820
P9998
P10709
P6424
P3849
P7599
P6894
P5328
P7505
Atom HG3 of residue 33
Atom OD1 of residue 52
Atom HG12 of residue 17
P5056
P7774
P5277
P5929
P4211
P5650
P5326
P8448
P4010
P1809
P8538
P6895
P5086
P8873
P3855
P8234
P5804
P3345
P3316
P0
P5957
P2722
P2672
P1540
P6511
P2700
P4893
ListSingletonContainer436
P1936
P1475
P5
Atom CD of residue 74
P4182
P12745
P3839
P4591
P4497
P6430
P5409
P7188
P6489
P4420
P3084
P3915
ListSingletonContainer358
P6269
P3782
P5293
P6414
P7998
Model 1
P5180
P4496
P1489
P1773
P6173
VAL
P4648
P8143
P4181
P1387
P1508
Atom CB of residue 64
P5128
P2760
P2908
P3414
Atom CA of residue 32
P65
P2636
P1639
P2049
P7441
P1654
P6787
P4430
P8235
P5806
P8444
P6798
Atom HG13 of residue 17
P2761
P6490
P6452
P3692
P169
Atom HZ1 of residue 6
P5327
P4040
P7000
P7076
P5795
P2168
P7432
P7507
P7693
P4436
P6640
P7628
P9353
P4273
P2876
P6859
VAL
Atom HG23 of residue 26
P1348
P1484
P2304
P4097
P2847
P1571
P1667
P84
P3878
P10710
P6895
P5329
P5552
P7506
Atom C of residue 76
P7189
P8152
P5057
P4893
P2080
P7775
P5278
P2695
P5930
P4459
P11999
P1937
Atom C of residue 33
P329
P2165
P6795
Atom HG3 of residue 42
P7900
P2050
P8404
Atom CA of residue 49
P8539
P6025
P3162
P8236
P5651
P6022
Atom N of residue 49
P7759
Model 263
P3917
ListSingletonContainer317
P3850
P7600
P7909
P2545
P4212
P5208
P8449
Atom HD2 of residue 33
P2056
Atom HB2 of residue 58
P4011
P8328
P6896
P4894
P5087
P3856
P4816
P3346
P12746
P7287
P6415
P3317
P5958
P1490
P2723
P1541
P6512
ListSingletonContainer201
P6174
Atom CA of residue 109
Linear1DFunction 16
P2701
P11422
P8144
P6981
Atom CG of residue 64
P2110
P6825
P4183
P8445
P3840
P1971
P4592
P4498
P6431
Atom HD2 of residue 42
P2
Atom HE2 of residue 1
P4421
P3085
P3916
P1774
P9999
P6788
P1509
P5294
Atom CA of residue 49
P6799
P5181
Atom C of residue 32
P2319
P4497
P1687
P6453
P4649
P4182
P5129
Atom OE1 of residue 2
P5805
P2761
Atom CB of residue 19
P2051
P2909
Atom H of residue 65
P3415
P1810
bonded
P6270
P6425
P2637
P7999
P2021
P7629
P9354
P4431
P8237
P2305
P5807
P4098
P6490
P2762
P1668
P1821
P3693
P8874
P6896
P5328
Atom OG1 of residue 22
P4041
P1640
P7001
P8153
P5931
P3783
P12000
P7508
P7694
P4437
P1316
Atom HA of residue 37
P6641
P6796
P7901
P2673
P64
P6026
P4274
Atom HB3 of residue 32
P1476
P2877
P1349
P12747
Atom HB3 of residue 58
P2848
P7760
P4894
Atom HG11 of residue 70
P2169
P1542
P3879
P10711
P7433
Atom HG3 of residue 1
P5330
P1311
P7507
P5410
P7288
P7442
P5058
Atom C of residue 49
P6491
P5279
P2696
P6426
P4460
Atom NE of residue 74
P7777
P5796
P3163
P6023
P1655
P5959
P2081
P3918
P11423
P8
P3851
P6982
P1938
P5210
Atom CG2 of residue 22
P7910
Atom HA of residue 3
P4213
P5652
P8357
Atom HA of residue 65
SingletonScore 12
P4012
P7077
P10000
P8875
P3857
P2111
P3347
P6416
P3318
Atom O of residue 32
P8406
P1688
P2724
P6513
P2702
P8145
P6860
P5553
P5806
P6826
P4184
P8446
Atom O of residue 52
P1567
P3841
P8238
P1811
P4593
P8540
P1822
P4499
P7601
Atom C of residue 49
P8000
Atom HG12 of residue 61
P4422
P3086
P3917
P1491
Atom HG13 of residue 70
P3784
P5295
P8451
P5182
P6491
P4498
P1543
P6454
P6897
P4650
P4183
P170
P5088
P64
P5130
P2054
P2762
P6800
P2022
P2910
P3416
P2186
P8327
P6271
P4815
P2638
Atom O of residue 76
P5412
Atom HD3 of residue 33
P2306
P1656
P7630
P9355
ListSingletonContainer64
P4895
P4432
P7289
P1
P2763
P10712
P7434
P3694
Atom HA2 of residue 10
P4042
P7190
P7002
Model 160
P8154
Atom O of residue 49
P6492
P138
P6789
P6175
P12001
P6432
P1477
P1510
P4438
Atom CZ of residue 74
Atom HD3 of residue 42
Atom HB of residue 26
P1669
P5797
P168
P4275
P2878
P6861
P5653
P5554
P1350
P1641
P2849
P7902
P8541
P3880
Atom N of residue 33
P5331
P5211
P5808
P6797
P8503
P7443
Atom N of residue 59
P1775
P5280
P2697
P6027
Atom C of residue 109
P6427
P4461
Atom CB of residue 16
P5329
P8358
Atom CG of residue 1
P7761
P7078
P2082
P2674
P10001
P7509
P3164
P7695
P6897
P6024
P1949
P6642
P12748
P1309
P2187
P2
P3919
P1826
P5932
P11424
P3852
P6983
P6827
Atom H of residue 76
P2170
P7602
P4214
P7508
P5415
Atom H of residue 22
Atom HG13 of residue 61
P5960
P4013
P5059
P1939
P8876
P3858
Atom CA of residue 64
P3348
P6417
P5183
Atom HB2 of residue 65
P3319
P1972
P4895
P2725
P6514
P6898
P2703
P199
P5089
P5807
P4185
P3842
P5
GeneralizedGuinierPorodFunction 52
P4594
P7776
P4500
Atom HZ2 of residue 6
Atom HE2 of residue 33
Atom CZ of residue 38
Atom HG12 of residue 13
P4423
P3087
Atom CB of residue 32
P3918
P1689
P6790
P4896
P5296
P8199
P8504
P8001
P0
P2023
P1812
P4499
P76
P6455
P8323
P4651
P4184
P171
P4817
P330
P5131
Atom CD2 of residue 4
P7191
P2763
Atom HB2 of residue 18
P2911
P3417
P1492
P6176
P8146
P6433
P2639
P8448
P7911
P8405
P6493
P4433
P1351
P2764
P3695
P6898
P1511
P5332
Atom HE1 of residue 45
P4043
P2307
P5809
P6798
P7003
P7444
P5281
P6028
P10713
P7435
P4439
P5330
Atom O of residue 49
P8450
P1642
Atom N of residue 39
P7762
P1670
P5798
P6272
P4276
P7510
P7696
P2879
P6862
Atom HG2 of residue 42
Atom HG11 of residue 26
P6643
Atom HB2 of residue 4
P2850
P6801
Atom HB2 of residue 34
P1776
Atom CB of residue 49
P8542
P7631
P9356
P3881
P3785
P0
P175
P5212
P6492
P2698
P41
P5933
P4462
P7509
P1950
P8199
P8155
P7912
P5961
P5060
Atom CB of residue 109
P12002
Atom CG of residue 16
P3165
P6025
P12749
P6418
TYR
P7079
P4896
P3920
P3853
P1336
Atom HD11 of residue 8
P2675
P1545
P1940
P7603
Atom HZ3 of residue 6
P4215
Atom HA2 of residue 76
P7903
Atom CG of residue 32
P4014
P6428
P3859
P3349
P6828
P8200
Atom C of residue 3
Atom ND1 of residue 68
P3320
Atom HG2 of residue 34
P2726
P3
P6456
P6515
P4019
P2704
P5090
P4818
P5654
P5555
P4186
P3843
P6493
P1828
P10002
P4501
P11425
P8147
P6984
1G6J_MODEL1.pdb
Atom HZ1 of residue 48
P7290
P7192
Atom HB3 of residue 65
P4424
P3088
P4
P3919
Atom CG of residue 49
P1690
P4897
Atom C of residue 1
P5297
P8359
P5416
P8505
P1973
P4500
P1493
P8324
P4652
P200
P4185
P8877
P5132
GaussianProcessInterpolationRestraint 44
P2764
P2912
P3418
P7913
P8407
P2083
P7778
P1
Atom HD12 of residue 3
P2640
P5808
Atom CB of residue 49
Atom HG12 of residue 3
P1
P1657
P1813
P8519
Atom H of residue 70
P6494
P2171
P6177
P4434
P2188
P2765
P7632
P9357
P4020
P3696
P6899
P5655
P4044
P8452
P5810
P7004
ASN
P6899
Atom N of residue 1
P4440
P5213
Atom HG3 of residue 42
Atom HZ2 of residue 48
P6799
P8200
P8002
P8156
P5184
P60
P140
P6029
P6273
P4277
P12003
P7511
P7697
Restraint 179
P2880
P6644
P7445
Atom C of residue 59
P2851
P6802
P7763
P5061
P1671
P3882
P6434
Atom HB2 of residue 71
P8447
Atom HA of residue 6
P2699
P4463
Atom CG of residue 41
P8360
P7510
Atom H of residue 8
Model 54
P169
P6429
Atom HG13 of residue 26
P3166
Atom CA of residue 1
P6829
P6026
Atom HA of residue 52
Atom CD2 of residue 68
P5962
P4897
P5799
P3921
P6791
P10714
P7436
P3854
P6863
P5556
Atom HE2 of residue 45
P2308
P12750
P10003
P5934
P11426
P6985
P4216
P1352
P7291
P7193
P2057
P7904
Atom HG of residue 65
Atom HB2 of residue 19
P4015
Atom HG3 of residue 34
P1777
P7080
P141
Linear1DFunction 27
P3860
P5331
P3350
P3321
P8543
P2727
P7779
P5282
P6516
P6900
P2
P2705
P8878
P4819
P1512
P4187
P1643
P3844
P6494
P8408
P2676
P1544
P4502
P3786
P8148
P5333
P5656
P5809
P4425
P3089
P3920
P8520
P6495
P2172
P4898
P7604
P5298
Atom HA3 of residue 76
P5185
P4501
P1691
P2084
P4653
P4186
Atom HG23 of residue 3
P5133
P8453
P2765
P2913
P1658
P3419
P1814
Atom CG1 of residue 109
P4862
P6435
P5091
P2641
P5214
P1951
P6419
P2189
P4435
P331
Atom N of residue 62
Atom CD of residue 41
Atom C of residue 19
Model 338
P7446
P6803
P2766
P7633
P9358
P1827
P4803
P6274
P3697
Model 98
P1941
Atom HB3 of residue 71
P4045
P8195
P7005
Atom HB3 of residue 19
P6178
P4441
P5334
P5414
GaussianProcessInterpolation76
P8003
P8157
P1974
P6792
P4278
P12004
Atom HG23 of residue 26
P2881
P1356
Atom HZ3 of residue 48
P8449
P8506
P2852
Atom HB2 of residue 52
P5800
P3883
P3787
P6864
P5283
P2700
P6457
P4464
P6901
P1513
P5557
P8361
P1413
P5811
P7292
P7905
Atom OD1 of residue 32
P1494
P7081
P6430
P3167
SER
P5336
P6027
Atom O of residue 19
P4898
P8544
P3922
P10715
P7437
P3855
P7512
P7698
Covariance1DFunction 24
P6830
P6645
P12751
P1644
P6800
P2058
P5324
P1778
P7780
P4503
P6030
P8
P11427
P6986
P4217
P7764
P4016
P1975
P10004
Atom CG2 of residue 109
P4899
P7605
P3861
Atom HG3 of residue 41
P7511
P3351
P1952
P8195
P6420
P3322
P2728
P2677
P1672
P6517
P6901
P2706
P4820
P4188
P3845
P7914
P8409
P42
P4863
P6436
P5092
P5810
P4426
P3090
P3921
P5963
P63
GLN
P5299
P1357
P1354
P2309
P5186
Atom OG1 of residue 9
P4502
Atom CD of residue 49
P6458
P4804
P4654
ListSingletonContainer437
P4187
P1942
P5134
GLN
P8454
P2766
Atom HB of residue 12
P2914
P3420
P2173
P2642
Atom HD1 of residue 45
P8004
P6495
P2547
P6793
P5935
P8149
P4436
P8450
P8507
Atom O of residue 59
Atom OD2 of residue 32
P2767
P1546
P6179
P3698
P4046
P8196
P7006
P7447
Atom OE2 of residue 34
P5325
P7699
P8879
P4442
P5335
P5812
P6804
Atom CB of residue 11
Atom HH21 of residue 72
P2190
P2085
ListSingletonContainer157
Atom CB of residue 50
P6275
P4279
Atom CA of residue 65
P2882
P2853
Atom CE1 of residue 68
P1976
P4899
P1692
P5801
P3884
P10716
P7438
P7513
Atom HG22 of residue 30
P6646
Atom CB of residue 61
P1495
P6496
P7634
P5284
P9359
P2701
P4465
P5657
P8363
P12752
P7194
Atom N of residue 66
P5936
P6431
P3168
Atom HE21 of residue 41
P5337
P7512
P6028
P8158
P1815
P8521
P3923
P3856
P12005
Atom HB3 of residue 11
P4838
GaussianProcessInterpolation8
P1514
Atom CB of residue 19
P6801
P7906
P7915
P4504
P6031
P3788
P4218
P1354
Atom OE1 of residue 41
P7765
P4017
P6921
P1673
P7606
P3862
P5215
P5558
P3352
Atom N of residue 49
P8196
P6421
P3323
Model 49
Atom OE1 of residue 49
P2729
P2678
P1851
P6518
Atom N of residue 110
P2707
P8880
P6900
P4189
P7293
Atom HG13 of residue 61
Atom CB of residue 59
P3846
P8410
P7781
ListSingletonContainer318
P5093
P6865
P2310
P7195
P6496
P4427
P3091
Atom HG of residue 67
P3922
P5964
Model 244
P8545
P11428
P8150
P6987
P5300
P6831
P2691
P4503
P5322
P7082
P6459
P4655
P4188
Atom HG of residue 71
P5135
P1953
P8455
P2767
P2915
P3421
Atom HB3 of residue 11
P10005
P121
P6902
P6437
P2643
P1355
P1645
P4099
P6805
P8522
P6497
P1547
Atom OG of residue 50
P4437
P5811
P8451
Atom HB3 of residue 52
THR
P2768
P6794
P3699
P1357
P4047
P7007
P8005
Atom H of residue 6
P5188
Atom H of residue 32
P1779
P2086
P7635
P9360
Atom HB of residue 26
P7700
P4443
P5216
P8366
P1990
P5813
Restraint 171
Atom NE2 of residue 68
P1693
P6276
P6432
P4280
P4864
P2883
Atom NE2 of residue 41
P2854
P8159
P2191
P1977
P5323
P3885
P4900
P12006
P7514
P6866
P6647
P6802
P7907
P8546
P2702
P6032
P4466
P261
Atom O of residue 62
P8508
P7294
P7916
P7766
P1816
P6922
P5802
P10717
P7439
P3169
P5336
P7513
P6029
GLN
P7448
GLY
P2174
P3924
P3857
P1943
P12753
P4099
Atom HG21 of residue 61
P8411
P4505
P332
P4219
P7196
Atom HD11 of residue 67
P5965
P4018
P5286
P1852
P5937
P11429
P6988
P3863
P6902
P5559
P5301
P3353
P1358
Atom C of residue 22
P3324
P1496
P7083
P2730
P6519
P2708
ListSingletonContainer577
P8881
Atom HD11 of residue 71
P5339
P5658
P2
P4190
P8456
Atom HG23 of residue 3
P3847
Atom CG1 of residue 61
P7782
P63
P6903
P4865
P6438
P1515
P1358
P1646
P4100
Atom CG of residue 59
P6497
P1559
P4428
P3092
P3923
P1780
P2679
Atom O of residue 109
P4901
P8151
Atom CD2 of residue 15
P5812
P6832
P2692
Atom HD21 of residue 25
P4504
P6180
P4656
P4189
P1944
P7607
P5136
P2311
P8509
P2768
P6423
P8006
P2916
P3422
P4900
P10006
P2644
P8367
P1991
P8523
P6498
P4438
P5094
P1954
P8452
Atom CA of residue 22
P6806
Atom C of residue 3
P1978
P2769
P1674
P1548
P3700
Atom HE22 of residue 41
P4048
P7008
Atom CA of residue 66
P7636
P9361
P6460
P4444
Atom CB of residue 65
P5217
Atom CB of residue 62
P1359
P7917
P5803
P10718
P3789
P7440
P4281
Atom HG11 of residue 26
P2884
P5337
P2855
P8160
Atom HD22 of residue 25
Atom HA of residue 32
Model 200
P2192
P3886
P12007
P4822
P6867
Atom H of residue 41
P5326
P8547
P2703
P4467
P7908
Atom CA of residue 53
Atom HA of residue 7
P6923
P2175
Atom C of residue 50
P6795
P3170
P6903
P5560
P6030
P1359
P5
P5814
P6803
P7449
P5187
P4901
P1675
P3925
P6033
P6277
P170
P3858
P12754
P4100
Atom O of residue 3
P7767
P4506
P7515
P7701
P6648
Atom N of residue 10
P4019
P1497
P5938
Atom CZ3 of residue 28
P11430
P6989
P3864
P5302
P3354
P6833
P7197
Model 428
P3325
P1694
P2731
P6520
P6181
P2709
P7608
P7514
P4191
P3848
P5966
P1817
P7084
P2087
P5099
P10007
P6433
P4866
P6439
P1516
P4220
P1360
P4101
P6498
P4429
P3093
P3924
P4902
P5095
P8882
P5659
P5813
P2693
P8453
Atom H of residue 68
P4505
Atom HD11 of residue 43
P4657
P202
P4190
P5137
P8493
P1992
P1647
P8510
P2769
P8007
P2917
P3423
P3
P1781
P5285
P6461
P3
P1407
Atom OG of residue 65
P2645
P1955
P7783
P1549
P3790
P4439
P1945
P5338
P7295
Atom CA of residue 59
Atom HB2 of residue 32
P2182
P2770
P8412
ListSingletonContainer225
P3701
P8152
Atom H of residue 15
P4823
P4049
P7009
P5327
P2680
Atom N of residue 42
P4445
P1987
P1696
P6904
P4282
P2885
P8457
P5815
P6804
P7450
P6422
P2856
P6500
P1853
P6034
P3887
P10719
P7441
P2312
Atom N of residue 26
P7768
P5804
P2176
P2704
Atom O of residue 50
P4468
P7516
P7702
P0
P1361
P6649
P6807
Atom HA of residue 68
P5189
P1567
Atom HD12 of residue 67
P8524
Atom HD12 of residue 43
P2088
P6924
P1676
P7637
P9362
P6796
P3171
P6904
P5218
P8494
P6031
P4902
P61
P3926
P6278
P3859
Atom HD21 of residue 71
P7515
P4101
P8161
Atom C of residue 66
P5967
P5100
P4507
P6434
P12008
P6868
P5099
P6499
P4020
P0
P1408
P8883
P3865
P5660
P5303
P3355
Atom C of residue 53
P3326
P2193
P1999
P1818
P2732
P6521
P5939
Atom CH2 of residue 28
P2710
P7609
P5096
P333
P4192
P6548
P1582
P7909
P3849
P2183
P8413
P8548
P6905
P6440
Atom CA of residue 7
P4221
P5561
Atom CD1 of residue 13
P12755
P4102
P7296
P4430
P3094
P3925
Atom NE of residue 42
P5334
Atom CA of residue 62
P5332
P2694
Covariance1DFunction 11
P4506
P7085
P5287
P4
P10008
P4658
P11431
P8153
P6990
P4191
P262
P5138
P1353
P8458
P2770
P2918
Atom NZ of residue 6
P3424
P6182
P3791
Model 88
P1517
P2646
P7198
Atom HA3 of residue 10
P7918
P2681
P7784
P4867
P4440
P6834
Atom CG2 of residue 5
P1648
P0
P1560
P2771
P1782
P5940
P4903
P3702
P201
P5814
P4050
P7010
Atom HD22 of residue 71
P4446
P6424
P8008
P5190
Atom HD13 of residue 67
P1498
P8525
P7638
P9363
P1854
P6797
P4283
P2886
P1993
P5816
P2857
P3888
P1362
P6805
P8511
P8162
Atom O of residue 66
P1983
P1697
P2705
P1550
P6035
P6183
P4469
P12009
P7517
P7703
P6869
P5
P5219
P6650
P8454
P7451
P1583
Atom CA of residue 2
P6808
P5100
P7919
P7769
P6925
P6462
P6435
P3172
P6905
P5562
P8495
P6032
Atom O of residue 53
Atom HB2 of residue 68
Atom HD13 of residue 43
P2177
P3927
P3860
Atom C of residue 65
P7516
P1956
P6549
P4102
Atom O of residue 71
P2089
P8549
P184
P4508
P171
P6441
P1946
P4824
P7297
P5968
P4021
P5328
P5805
P6499
P10720
P7442
P1409
P3866
P1518
P5661
P5304
P3356
P2319
P3327
P7086
P2733
P5288
P10009
P6522
P2711
P11432
P6991
P1363
P6835
P4193
P7910
P3850
P8414
P4903
P1677
P6906
Atom CA of residue 4
P6
P4222
Atom C of residue 62
P12756
P4103
Model 141
P4431
P3095
P3926
P7785
Atom HE22 of residue 31
P4807
P4868
P1329
P5335
P5333
P2695
Atom HB3 of residue 8
Atom HB3 of residue 32
P4507
P4904
P4659
P8154
P4192
P5139
P5815
P8459
P2771
P2919
P3425
P6463
P7610
P2647
P1649
P7199
P6425
P8009
P1561
P2194
P1500
P6279
P4441
P8455
Atom HB of residue 61
Atom CE2 of residue 4
P2772
P5101
Atom CG of residue 45
P5941
P3792
P0
P3703
Atom HE3 of residue 6
ARG
P4051
P8512
P7011
P6500
P5329
P1783
P4447
P7452
P6809
P5191
Atom OG1 of residue 22
Atom H of residue 7
P7920
Atom CD of residue 42
P7639
P9364
P183
P6184
P4284
P12010
P8884
P6906
P4825
P2887
P2858
P1819
P1551
P3889
ListSingletonContainer572
P4
P1364
P1994
Atom CB of residue 71
P8163
P2682
P129
P2706
P6798
P4470
Atom HZ1 of residue 11
P5806
P4869
P3173
Atom CG2 of residue 3
Atom O of residue 65
P5662
P3357
P6836
P6033
P1957
Atom HD22 of residue 43
P3928
P3861
P1410
P1947
P2050
P1
LYS
P6550
P5817
P4103
P1584
P7911
Atom N of residue 73
Atom N of residue 33
P8526
P4904
P7787
P6501
P1855
P4509
P6280
P5069
P2161
Atom CG2 of residue 22
P4022
P1698
P4808
P10721
P7443
P7518
P7704
P3867
P5305
P5071
P6651
P12757
P2057
P6806
P7298
Atom HG of residue 8
P3328
P2090
P6926
P2734
P1678
P5289
P6523
P6036
Atom C of residue 10
P2712
P6437
P11433
P6992
P5220
P4194
P3851
Atom CB of residue 66
P7770
P5102
P10010
Atom NE of residue 45
P7611
P8885
P1519
P7517
ScoreState 44
P7200
P6501
P4432
P3096
P2184
P3927
P6870
P8496
P4
P2696
P6426
P4508
P1317
P8550
P2178
P5942
P4660
P4193
P263
P5140
P1365
P5816
Atom C of residue 27
P2058
P2772
P5101
P2920
P3426
P5969
P2195
P6464
P2648
P8010
P8416
P6907
P4442
P8456
P1820
P2773
P8527
P3704
ListSingletonContainer438
P6442
Atom O of residue 4
Atom HD12 of residue 71
P5563
P4052
P7012
Atom HG12 of residue 61
P5330
P7087
P6799
P8155
P1440
P2051
P4448
P8461
P2318
P7453
P5192
ASP
P4285
P4826
P334
P5070
P2888
P2859
Atom OG of residue 20
P7921
P8551
P3890
P5818
P2058
P6810
P6502
P2707
Atom O of residue 10
P4905
P4471
P6871
P5221
Atom HD23 of residue 67
P5807
P10722
P7444
P7519
P3174
P7705
Atom CG1 of residue 13
P5072
P3358
P6034
P6652
P8513
P2185
P1998
P6927
P7640
P9365
P3929
P1856
P6185
P3793
P3862
P12011
P5663
P1650
Atom OG1 of residue 66
Atom H of residue 22
P2683
P4510
P6281
P7518
P5102
P8164
LYS
P4023
P2091
ListSingletonContainer208
P3868
P1310
P2162
P5306
P8497
P1995
P6807
P1585
P7912
Atom H of residue 20
Atom N of residue 53
P3329
P1784
P2735
P5290
P6524
P6037
P2713
P4872
Atom N of residue 119
P4195
P3852
Atom CE of residue 6
P7771
P5103
P6443
P7612
P8886
P6907
P1958
P6551
P12758
P6502
P4433
P3097
P3928
P6908
P5564
P1366
Atom O of residue 27
P2697
P2059
P6427
P1562
P1984
P4509
Atom HD23 of residue 43
P7786
P4906
P4661
P4194
P5141
P7201
P2773
P2921
P3427
Atom HA2 of residue 10
P5970
P7088
P3
P11434
P8156
P6993
Atom N of residue 9
P2649
P0
P8514
P7299
Atom CG of residue 71
P5193
P4905
P1554
P5943
P6436
P4443
P5071
Atom CG2 of residue 9
P2196
P2774
P8528
P8552
P10011
Atom C of residue 8
P3705
P4053
P7013
P6811
P1501
P1911
Atom HD13 of residue 71
P4449
P5817
P6837
Atom N of residue 68
P1821
P2179
P6465
P6800
P4286
P2889
P1367
P2315
P8011
P2860
P3
P1985
P7641
P9366
P6186
P3891
Atom HG2 of residue 11
P1651
P5819
P8458
P8415
P2708
P6038
P4472
P6872
P5222
Atom CG2 of residue 13
P8165
P7772
P5331
Atom HG2 of residue 31
P4809
P12012
P7520
P3175
P7706
P6908
P5073
P3359
P6035
P6653
P6808
P7454
P1586
P7913
Atom H of residue 71
P6928
P5291
P3930
P3863
P4873
P4828
P7
P8460
P1563
P4906
P4511
P10723
P7445
Atom HB of residue 55
P7519
P1996
P1959
P2320
P6552
Atom HA of residue 20
P5103
P7922
P4024
P1785
ListSingletonContainer254
P3869
P5565
P5307
Atom CD1 of residue 71
P6428
P6503
P3330
P1502
P2736
P5808
P6525
P2714
P4196
P7202
P3853
Atom CA of residue 33
P5971
P2684
P11435
P26
P6994
P6444
P2163
P12759
P2338
Atom HA of residue 11
P4434
P3098
P3929
P1555
P6282
P5944
P3794
P5664
P1368
P2698
Atom HB2 of residue 71
P4510
P4907
P4662
P4195
P5142
P2774
P2922
P3428
P1986
P6503
P1857
P6438
P8157
P1912
P2650
P2548
Atom HG21 of residue 55
P5818
P8499
P6838
P8515
P7300
Atom CG2 of residue 7
Atom HB3 of residue 67
P7089
P5105
P6466
P4444
P7613
P8887
P5072
P8012
P2775
P7788
P10012
Atom CB of residue 45
P3706
P4054
P7014
Restraint 40
P1695
P2180
P4450
P6812
Atom CG2 of residue 66
P5332
P4810
P4287
P2890
P1369
Atom HG22 of residue 26
P7455
P2861
P2186
P8417
P2092
P7642
P9367
P6909
P3892
P1411
P3180
P1822
P94
P2709
P6187
P10724
P7446
P4473
Atom CG1 of residue 58
P335
P2059
P8166
Atom HG12 of residue 44
Atom HD11 of residue 67
P8553
P12013
P3176
P6909
P3360
P6036
P8462
P2321
P1522
P2197
P8529
P5809
P6504
P3931
P3864
P8500
P7914
P5194
P4907
P6801
P4512
Atom CZ of residue 34
P132
Atom OE1 of residue 40
P6553
P5820
P6809
Atom HD21 of residue 67
P7923
P4025
P7789
P6283
P3870
P6873
P5224
P5308
P1370
P8457
P3331
Atom C of residue 33
P2737
P6526
P2715
P7521
P7707
P5566
P5074
P4197
P6654
P2060
Atom CD2 of residue 71
P3854
Atom HD21 of residue 43
P6929
P1858
P3795
P6439
P11436
P6995
Atom HG21 of residue 17
P2549
P6839
P1652
P7301
P7203
P4435
P3099
P3930
Atom HB3 of residue 71
P6910
P4941
P7614
P8888
P4827
P5665
P7520
P2699
P5105
Atom HB2 of residue 8
P5972
P4511
P10013
P5945
P4196
P2164
P1997
P2775
P2923
P3429
P2187
P1788
P1412
P2651
P5819
Atom H of residue 66
P5292
P4811
P6446
P4445
Atom HG22 of residue 55
P12760
P2060
Atom HB2 of residue 20
P8013
P2776
P8418
P8554
P2685
Atom N of residue 3
ListSingletonContainer194
P6039
P3707
P5143
P4055
P2322
P7015
P1587
Atom HG1 of residue 14
P7773
P1825
P7090
P1552
P4908
P4451
P3
P5195
Atom HG13 of residue 44
P2093
Atom N of residue 35
P3605
P8158
P4288
P2891
P8463
P7456
P2862
P8530
P81
P2181
P3893
Atom CG2 of residue 58
P1913
Atom HG22 of residue 17
P5073
P1
P3181
P1960
P6429
Atom HD12 of residue 67
P5104
P2710
P4474
Atom NE2 of residue 40
P1371
P5821
P6810
P2061
P8516
P1523
P7924
P10725
P7447
P3177
P6874
P3361
P6037
Atom HB3 of residue 20
P5810
P6505
P3932
P6467
P6188
P3865
P7522
P7708
P5075
P8501
P6655
P6813
P6689
P1499
P6930
P7643
P9368
P6802
P4513
P1653
P8459
P1564
Atom CE of residue 11
P4026
P7790
P4942
P3871
P5666
P5309
P7521
P8167
Atom HD22 of residue 67
P3332
P5973
P5333
P2738
P2686
P5293
P6527
P2716
P12014
P6911
P4198
P3855
P1859
P3796
P6440
P4829
P1372
P4436
P3100
P3931
P2198
P1
P4908
P6911
P7615
GeneralizedGuinierPorodFunction 33
P1998
P1961
P2700
P6554
Atom H of residue 71
P6430
P7915
P2001
P4512
P1789
P6996
P4197
P7302
P2776
P1588
P2924
P3430
P7091
P72
P4909
P3606
P2652
P5223
P2318
P0
P6468
P10014
P11437
P8159
P4446
P2165
P5567
P12761
Atom HA of residue 70
P2188
P2777
P8419
P8555
P6040
P6284
P3708
P5074
P5144
P6840
P4056
P7204
P7016
P7774
P1553
P4452
P8517
Atom HG21 of residue 14
P5104
Atom CG of residue 6
P5196
P6504
P5336
Atom CE2 of residue 3
ListSingletonContainer365
P4812
P5946
P4289
P1914
VAL
P2892
P5820
P8464
P2863
P1565
P5106
P6189
P3894
GLU
P8889
P3182
P8014
P1333
Atom O of residue 33
Atom CG of residue 71
P0
P7644
P9369
P2711
P6803
P4475
P6445
Atom HG23 of residue 17
P5822
P8460
Atom HG of residue 20
P3178
Atom HG23 of residue 55
P3362
P6038
P6811
P8168
P3933
P3866
P12015
P7523
P7709
P2550
P5076
P8498
P6656
P7457
P6814
P7925
P1826
P2094
P6931
P4514
P4830
P1373
P7
P4027
P8531
P4909
P6506
P6285
P4943
P3872
P8
P5310
P266
P7522
Atom HB of residue 17
P6555
P3333
Atom OD2 of residue 21
P2739
P5294
P1609
P2182
P6528
P2717
P6997
P133
P4199
P1654
P7303
P3856
P6505
P5974
P2199
P5811
P10726
P6441
P7448
P5667
P6841
Atom HB2 of residue 71
Atom HA of residue 66
P4437
P3101
P3932
P10015
P11438
P1413
P8890
P2701
P2323
P6431
P7916
Atom CD of residue 6
Atom CB of residue 33
Atom H of residue 67
P4513
P1790
P7791
P4198
P336
P6875
P5225
P12762
P2777
P1524
P2925
P3431
Atom OG1 of residue 7
P5107
P3607
P2653
P1962
Atom HG23 of residue 44
P2687
P1860
P6469
P8160
P4447
P6910
P5568
P5821
P1988
P2778
P8420
Atom H of residue 21
P6912
P3709
P7616
P5075
P5145
P4057
P2061
P7205
P7017
P8015
P5106
P8532
P4453
P267
Restraint 125
P1566
P2189
P5337
P9370
P5947
P4290
P2893
Atom N of residue 56
P8465
P2062
P2864
GaussianProcessInterpolationRestraint 10
P3895
P6447
Atom CA of residue 17
P2551
P3183
P1999
P7458
P6815
P7926
P7645
P2712
Atom CA of residue 56
P4476
P8461
P7092
P6507
P2140
P3797
P4910
P3179
P6876
P3363
P6039
P8169
P5198
P1827
P1786
P2095
P1610
P3934
P6804
P3867
P12016
P1414
P8370
P8518
Atom CD2 of residue 45
P1589
P5812
P4515
P6041
P6442
P4831
Atom CG of residue 40
P2166
P5668
Atom CA of residue 74
Atom HB of residue 66
P6506
Atom HG3 of residue 11
P7775
P4028
P4813
P6286
P7725
P3873
P5311
P6556
P5823
P7917
Atom HD11 of residue 44
P3334
P2740
P7792
P6529
P2718
P5226
P4200
Atom HG11 of residue 17
P3857
P6190
P10727
P7449
P7524
P5077
P6657
P2062
P6812
P7304
P5107
P4438
P3102
P3933
P6932
P1861
P11439
P6998
P8891
P1915
P5569
P2702
P1525
P4514
Atom H of residue 29
P8421
P10016
P6913
P4199
P7617
P1374
P7523
P2063
P7206
P2778
P2926
P3432
Atom CG of residue 33
P5108
P5296
P6042
P4911
P3608
P4940
P6912
Atom HD23 of residue 69
P2654
P2190
P7776
P2200
P2183
P5948
P4448
P5822
P8371
P8466
P12763
P8519
Atom HG23 of residue 9
P5975
P2779
P4910
P2688
P3710
P6448
P7710
P2000
P1963
P4058
P7018
P8016
P8533
Atom HA of residue 21
P4454
P2324
P1590
P3798
P4291
P2894
P6432
P2865
P1611
P6470
P6805
P3896
Atom C of residue 56
ListSingletonContainer439
P8161
P4617
P2552
P3184
P7459
P2713
P4477
P1916
P5076
P1
P8462
Atom NZ of residue 29
Atom HD2 of residue 11
P7927
P6877
P3364
P6842
P6040
P5824
Atom HB3 of residue 71
P6816
P5338
P9371
P3935
P6043
P3868
Atom CD of residue 40
P2167
Atom C of residue 74
P7777
P5813
P4516
P6191
P10728
P7450
P7525
P4832
P1447
P5078
P6658
P1
P4029
P1787
P4911
P6933
P7646
ASN
P4814
P3874
P5669
P5312
P3335
P4515
Atom HA of residue 29
P2741
P6530
P2719
P134
Atom CA of residue 20
P5227
P7524
P4201
P8170
P3858
Atom HD12 of residue 44
P1570
Restraint 79
P73
P12017
P6913
Atom N of residue 70
P6813
P7918
Atom C of residue 17
P5108
P5197
P4439
P3103
P3934
P1989
P7093
P2703
Atom CB of residue 6
P6507
P6287
P4200
P7711
P7618
P6557
Atom O of residue 74
P2779
P2927
P3433
P5976
P2184
P4912
P3609
P2655
P5570
P6508
P4449
P1
P337
P16
Atom HG1 of residue 55
P8372
P12764
P8520
P7207
P6433
P1828
P2780
P2096
P5109
P6471
ListSingletonContainer195
P6443
P3711
P11440
P8162
P6999
P6449
P8892
P2001
P4059
P7305
P7019
P2201
P0
P7793
ListSingletonContainer60
P5949
P3799
P4455
P5077
P4618
P6843
P8463
Atom H of residue 29
Atom CD of residue 33
P10017
P4292
Atom HG of residue 71
P2866
P6817
P5339
P5295
P3897
P5823
P3185
Atom HA of residue 2
P1591
Restraint 18
P1526
P7094
P2714
P1862
P6914
P6806
P4478
P4874
P4833
P8017
Atom HG1 of residue 66
Atom HA of residue 4
P8422
Atom CG of residue 21
P7647
P9372
P4815
Atom C of residue 12
P2168
P3365
P6041
Atom CB of residue 16
P5825
P6934
P3936
P3869
P8928
P1917
Atom HB3 of residue 1
P1448
P2325
P8171
P8534
P1350
P6509
P4517
P2
P12018
P1763
P7526
P1415
THR
P5079
P2
P8467
P6659
P6814
P7460
P7919
P0
Atom HG21 of residue 44
P4030
Multivariate Normal distribution 10
P4912
P2689
P125
P6192
P3875
Atom C of residue 20
P2553
P5313
P3336
P2191
P5977
P4516
P2742
Atom NE2 of residue 31
P1612
P89
P6531
Atom CA of residue 27
P6288
P10729
P2720
P7451
P6878
P34
P5228
P7525
P4202
P2392
P6558
P3859
P5199
P1
Atom CB of residue 7
P7928
P1829
P2097
P6444
Model 287
P6914
P5571
P6508
P4440
P3104
P3935
P5814
P2704
P2063
P7208
Atom O of residue 17
P1571
P5110
P6915
P11441
P7000
P4201
P7712
P2780
P5109
P2928
P3434
P1351
P7794
P5950
P3610
P2656
P5670
P6844
P2065
Atom CE of residue 33
P4875
P4450
Atom HG22 of residue 66
P2781
P8423
P7095
P8344
Atom HA of residue 31
P2185
P3712
P8163
P6450
P5824
Atom C of residue 2
P4060
P7306
P7020
P1527
P1990
P7619
P135
P4456
P5078
P4619
Atom CB of residue 74
P8018
Atom HA of residue 8
P5297
P10018
Atom N of residue 56
P4913
P4293
P1416
P8893
P3
P2002
P8468
P2867
P2202
P1863
P6044
P3898
P3800
P3186
P2326
P12765
P6818
P7778
P8535
P2690
P2715
P4479
P6
P1964
P7461
P6434
Atom H of residue 65
Atom NH2 of residue 42
P7648
P9373
VAL
P8373
P3366
P6042
P8521
P1592
P2192
Atom CE of residue 29
P1613
P3937
P10730
P7452
P3870
P1764
P6879
P5229
Atom CG of residue 16
P2064
P8172
P5200
Atom CA of residue 9
P1352
P6510
P6472
P126
P4518
P12019
P68
P2169
P0
P4031
P5815
P3876
Atom CA of residue 14
P2554
P5314
P7920
Atom HG22 of residue 44
P3337
P1991
P4517
P2743
P6532
P6807
P2721
Atom CG2 of residue 5
P4203
P6559
P5826
P6815
P5110
P3860
P7929
Covariance1DFunction 35
Atom HD11 of residue 3
P5334
P2098
P6935
P7795
GLY
P6193
P6445
P1918
P6915
P2066
P4441
P3105
P3936
Atom H of residue 42
P7527
P5572
P5080
P2705
P6660
P1830
P4913
P8345
P6916
P11442
P7001
P4202
P6451
P4834
P7307
P7209
P2781
Atom CB of residue 17
P2929
Atom HA of residue 65
P3435
P3611
P7620
Atom CA of residue 70
P2657
P5671
P269
P7526
Atom CG of residue 74
Atom HB2 of residue 31
P5298
P10019
P5951
P4914
P4876
P4451
P6845
P6435
P2782
P8424
P6473
P4816
P6045
P3713
Atom HG2 of residue 19
P5825
P4061
P8466
P7021
Atom CG of residue 29
Atom HG23 of residue 66
P1574
P7779
P1353
P6289
Linear1DFunction 26
Atom HE2 of residue 6
P4457
P4620
P2003
P8019
P4294
P8374
P8469
P8522
P2868
P1528
P6509
P3899
LEU
P7713
P6917
P3187
P1965
P12766
P7096
P2716
P4480
P8164
P1444
P1593
P5111
P5079
P3367
P6043
Atom HA of residue 71
P5978
ListSingletonContainer6
P3938
P3871
P8894
Atom HZ1 of residue 27
P5827
P6816
P7462
Atom HG23 of residue 3
P5201
P7930
Atom NZ of residue 29
P4519
P6194
P10731
P7453
P4835
P338
P4032
Atom HA of residue 42
P2099
P5816
P2328
P4817
P7528
P3877
Atom CG2 of residue 22
Atom O of residue 44
P2555
P5315
P5081
Atom HG3 of residue 19
P6661
P6819
P3338
P2126
Model 245
P4518
P8536
P4914
P6936
P2744
P7649
P9374
P6533
P6808
P6290
P3801
P2722
P4204
P3861
P5335
P2691
P1864
P5672
P274
P7527
P8173
P0
P6510
P4442
P3106
Atom HA of residue 33
P3937
P2203
P6511
P12020
P2170
P2706
P6436
Atom CD of residue 11
P4203
Atom C of residue 70
P8467
P2782
P2930
P1575
P3436
Atom HE of residue 54
P7796
P1614
P6046
P3612
P7621
P6880
P2658
P6560
P7921
Atom HB2 of residue 65
P7780
P1833
P5299
ListSingletonContainer166
P6917
P6447
P4452
P5230
P2327
Atom HB3 of residue 2
P7308
P2193
P2783
P5112
P6474
P3714
P1765
P7714
P4062
P7022
Atom H of residue 26
P1
P10020
P11443
P8165
P7002
Atom HZ2 of residue 27
P4458
P4621
P5573
P12767
Atom CE of residue 27
Model 366
P8537
P4295
P5080
P2049
Atom CB of residue 19
P7210
P2869
P5111
Atom N of residue 67
P4
P5979
P2335
P3900
P4878
P1417
P8895
Atom CB of residue 44
P3188
P2065
Atom HB3 of residue 1
VAL
P8426
P2717
P5952
P4481
P5826
P6846
P1529
P5202
P6452
Atom HA of residue 22
P3368
P6044
P8020
Atom HB2 of residue 33
P1992
P7650
P9375
P3939
P6809
P4915
P3872
P6881
P8471
P5828
Atom HB of residue 26
P8346
Atom CG of residue 31
P1865
P4520
P69
P4836
P8375
P6817
P8523
P8174
P4033
P6512
P4818
P3
P12021
P7529
P3878
Atom NZ of residue 11
P5316
P5082
P6662
P6820
P3339
P7931
P4519
P5070
P7097
P6937
P2745
P63
P2186
P6534
P6291
P2723
P5231
P2004
P4205
P3862
P2194
P2204
Atom HH11 of residue 54
P7797
P1865
P6047
P1766
P1
P7528
JeffreysRestraint_P0
P6561
P3
P7463
P6511
P4443
P3107
P7781
P3938
Atom C of residue 43
P2707
P2328
P2064
P7309
Atom NZ of residue 27
P2692
P5817
P10732
P7454
P4204
P1919
P5673
P1380
Atom CD2 of residue 15
P2783
P1594
P5112
P2931
P3437
P1834
P10021
P3613
P11444
P7003
P1418
P2659
P2066
P7922
Atom HG of residue 65
Atom HE22 of residue 31
Atom HB2 of residue 42
P5300
P6918
P6195
P3802
P4916
P4453
Atom CG of residue 19
P6437
LEU
P5980
P2784
P5113
P8347
P3715
P7715
P6918
P5061
P8376
P4063
P8524
P7023
Atom CB of residue 12
P4915
P128
P3
P8166
P4459
P4622
P5574
P5827
P1966
P5203
P8538
P1344
P2187
P4296
P6453
P7622
Atom HZ3 of residue 27
P5081
P2556
P8464
P7211
P8021
P2870
P3901
Atom O of residue 70
P2171
P3189
P12768
P1595
P1530
THR
P5071
P1615
P2718
P6475
P5953
P6446
P4482
Atom CG1 of residue 44
P6847
ALA
Atom NE of residue 42
P3369
P6045
P6821
Atom HG11 of residue 26
P7932
P7651
P9376
P3940
P3873
P6882
Atom CA of residue 3
P1578
Atom HB3 of residue 33
P2205
P4521
P4839
P8175
P4034
Atom CZ of residue 3
P6810
P4877
P12022
P3879
P5317
P2005
P3340
P4520
Atom CB of residue 44
P8425
P7098
P4916
P2746
P5818
P1866
P6535
P2724
P339
P5232
P5674
P4206
P7464
P3863
P1993
P1767
P6562
P7923
P4444
P3108
Atom N of residue 66
P3939
Atom HB3 of residue 42
P1345
P5301
P6196
P1920
Atom CG1 of residue 70
Model 106
P1967
P2708
P8470
P2329
P6857
P6438
P2195
P2
P4819
P10733
P7455
P4205
P7530
P1439
P8896
P18
P270
P5083
P6663
P2067
P6818
P7310
P2784
Atom H of residue 27
P5113
P2932
P3438
P6938
P6292
P3803
P3614
P11445
P7004
P2660
P5575
P10022
P4917
P4454
P7623
P7529
P7212
Atom OG1 of residue 12
P6512
P2785
P8348
P6513
P3716
Atom CB of residue 22
P5062
Atom HB3 of residue 71
P2172
P8377
P4064
Atom CA of residue 2
P8465
P8525
P7024
P0
Atom HH12 of residue 54
P5072
P2693
P6476
P5954
P4460
P4623
P5828
P6848
Atom CA of residue 46
P7798
P4297
P6454
P6919
P2557
P1379
Atom CG of residue 42
P8022
P2871
P3902
Atom C of residue 25
P6448
P3190
P12769
Atom H of residue 15
P1596
P1579
P5115
P57
P2719
P4483
P7716
Atom N of residue 28
P6858
Atom NZ of residue 33
P5981
ASP
P2100
P6919
P6811
P8167
P8897
P3370
P6046
Model 408
Atom CG1 of residue 44
P1618
P3941
P3874
Atom CG2 of residue 44
P5082
P1
P7933
Atom HH21 of residue 54
P7099
P4522
P6048
P4879
P6822
P7782
P4035
P8427
P8539
P6514
P1768
P3880
P5318
P3341
P4521
P4917
P2747
P5819
P6536
P4820
P10734
P4
P2725
P7456
P7531
P70
P5084
P4207
P6664
P7465
P3864
P1994
P6939
P7652
P9377
ListSingletonContainer62
P6293
P1420
P2325
Atom CG2 of residue 70
P6883
P5675
JeffreysRestraint_P0
P8472
Atom CG of residue 27
P4445
P3109
P3940
P2206
P2694
P2188
P1867
P2366
P7530
P2709
P6439
Atom HB3 of residue 48
P1531
P8176
P5204
P6513
Atom HH11 of residue 72
P1831
P6197
P12023
P4206
P5063
Atom HG of residue 71
ILE
P6819
Atom CA of residue 123
P2785
P7924
P2933
P3439
Atom O of residue 7
Atom CA of residue 32
P6049
P3615
Atom HD3 of residue 29
P2661
P5234
Atom HG21 of residue 66
Atom CB of residue 26
P7783
P7799
P1619
P4455
P7624
Atom CD1 of residue 44
P6563
P2786
P2101
P3804
P6449
P3717
P5576
Model 114
Atom O of residue 2
P2006
P4065
P2330
Atom CE1 of residue 59
P7025
P2196
P5073
ListSingletonContainer196
P7717
ALA
P4837
P4461
P4624
P7213
P5115
P5982
Atom O of residue 25
P11446
P8168
P7005
P4298
P6455
P7
P2173
P2558
Atom HE2 of residue 1
ASP
Covariance1DFunction 85
P2068
P7311
P2872
P4821
P5955
P3903
P4918
P1824
P5083
P6854
P3191
P6849
Atom H of residue 33
P5302
ListSingletonContainer61
P2720
P10023
P4484
P4880
P6859
P6823
Atom CG2 of residue 44
P8428
P8540
P1620
P6920
P8898
P3371
P6047
Multivariate Normal distribution 44
P1580
Atom CE of residue 27
P8349
Linear1DFunction 11
P3942
P6812
P3875
P2367
P8378
P8526
Atom H of residue 62
P8023
Atom HG2 of residue 48
P5205
GaussianProcessInterpolation24
P1995
P7653
P9378
P4523
P6884
P8473
P12770
Atom O of residue 10
P4036
Atom HH22 of residue 54
P6515
P6477
P3881
P5319
P8177
P3342
P4522
P7100
P5114
P2748
P6537
P2726
P12024
P7532
P1421
P5085
P4208
P6665
P2361
P6820
Atom CD of residue 27
P7925
P3865
P8209
P6940
P2189
P1868
P6050
Atom HE2 of residue 29
Atom CG2 of residue 12
P8263
P1532
P4446
P3110
P7784
P3941
P7800
P10735
P7457
P1921
P7531
P2710
P6564
Atom C of residue 123
P6440
P1597
P7934
Atom HG2 of residue 31
Model 55
P4207
Atom H of residue 70
P5577
P2007
P1968
P2786
P2934
P3440
P4918
P5820
P3616
P2662
Atom CA of residue 30
P7214
P7466
P5983
P1832
P5303
P6198
P11447
P7006
P6456
P4456
P6916
Atom CA of residue 32
Atom HG1 of residue 7
P1576
P2197
P2207
P2787
P2696
P77
P5956
P6450
P4919
P3718
Atom CD1 of residue 45
P5676
P6855
P6850
P4066
Atom HZ of residue 45
P7026
Model 25
ScoreState 10
P6478
P7718
P5064
P4462
P4625
P2069
P1621
P6294
P8169
P4299
P340
P2559
P7312
P2873
Atom HB3 of residue 65
Atom H of residue 44
P8350
P3904
P7625
P4871
P5084
P5233
P8379
P3192
P8527
Atom HA of residue 62
P8024
P6514
P2721
P10024
P4485
P4881
P1922
P271
Atom H of residue 10
P8210
P5074
P8429
Atom CB of residue 16
P4837
P7175
P3372
P6048
Atom HG21 of residue 7
P6824
Atom HB of residue 13
P3943
P3805
P3876
P2331
P5114
P5206
Atom HA of residue 27
P7654
P9379
P4524
P5065
Atom HD11 of residue 71
P1969
P8474
P12771
Atom HG3 of residue 48
P4037
P0
P5116
P127
P10736
P7458
P8201
P3882
P2368
P5320
P6860
P6441
P8178
P3343
P4523
P7101
P2749
P6538
P2727
P12025
P8899
Atom C of residue 9
Atom HA of residue 70
P4209
P3866
P8541
P4919
P5821
P6295
P2174
P7467
P7926
P4447
P3111
P3942
P6813
P6051
P6199
P2711
P6565
P6821
P6515
P7935
P7785
P1996
P6516
P4208
P2787
P1598
P2935
P1395
P1577
P3441
P2102
P2190
Atom CB of residue 31
P3617
P7533
P2663
P5578
P5086
P6666
P2609
Atom N of residue 55
P6941
P2695
P7801
P5304
P11448
P7007
P4457
P5863
P6885
Atom H of residue 12
P2008
P7313
P7215
Atom HB2 of residue 73
Atom HA of residue 44
P2788
ListSingletonContainer101
P6451
P3719
P7626
Atom H of residue 44
P5677
Atom CB of residue 93
P6856
P7532
P4067
P8262
P7027
P1533
P6479
P10025
P5957
P4463
P4626
P6851
Atom N of residue 46
P5075
P3
P5863
P4300
P71
Atom HG12 of residue 5
P5235
P2560
P2874
P8542
P1869
P3905
P8202
P2051
P4870
P3193
P2332
Atom HG3 of residue 2
P5984
P2722
P4486
P4882
P5066
Atom HD12 of residue 71
P8211
P2208
P1997
P8430
P5117
P1769
P7719
Atom N of residue 1
P3373
P6049
P12772
P6861
P8025
P5116
THR
P2198
Atom CG of residue 16
P3944
P3877
P8170
P8900
Atom O of residue 32
Atom C of residue 30
Atom O of residue 123
P1701
Atom HG12 of residue 13
P4822
P4525
P4920
P5085
P6886
P8475
Model 339
P4038
P2103
P8351
P140
P7459
P3883
P5321
P8380
P6667
P2070
P6822
P8528
P3344
P7936
P4524
P2750
P6517
P6539
P10737
P2728
P6457
Atom HE3 of residue 29
P2175
P4210
Atom HD2 of residue 48
P3867
P1396
P5822
P6296
P7534
P1419
P2369
P5087
P7468
P6825
P5208
P4448
P3112
P3943
P2610
THR
P6942
P7802
P7655
P9380
P6814
P3806
P5864
Atom HZ3 of residue 63
P2712
Atom HB2 of residue 62
P6516
Atom HB3 of residue 73
P6452
P4209
Atom HA of residue 44
P4858
P5678
Atom CG of residue 93
P311
P7533
Atom CA of residue 5
P2788
P8179
P2936
P3442
P7102
P3618
P12026
P2664
P5413
P2191
P5864
Atom N of residue 32
P4458
P5236
Atom O of residue 30
P8264
P2789
P4921
P3720
P1770
P7627
P13
P6857
P4068
P6566
Atom HB of residue 7
P7028
P7927
P5985
Atom CB of residue 61
P8352
P6052
P4883
P4840
P2370
P4464
P4627
P8381
P2009
P8529
P7314
P6442
P1534
P7786
P5076
P8431
P4920
P4301
P6458
P7720
Atom HE21 of residue 49
P2875
P5117
P8543
P2697
P5306
P10026
P6200
P3906
P11449
P8171
P7008
P8203
P5579
Atom CB of residue 32
P3194
GLU
Atom CD1 of residue 123
P2209
P2723
P1870
P4487
P341
1G6J_MODEL1.pdb
P5086
P1970
P8476
P7216
P2199
P6480
P3374
P6050
P1702
Model 183
Atom CG of residue 27
P3945
P5958
P3878
Atom HZ1 of residue 29
P2561
P6852
Atom HG1 of residue 7
Atom HB3 of residue 62
P1397
Atom HG23 of residue 14
P141
P4526
P1923
P5067
Atom HD11 of residue 13
P6887
P12773
P2071
P2
P4039
P7656
P9381
P1622
P6815
P3884
P2176
P5322
Atom N of residue 64
P6668
P2333
P3345
P8213
P4525
P2751
P6540
P4823
P2729
P4859
P4211
P6823
P8026
P8180
P3868
P4921
P3807
P12027
P7535
Atom CB of residue 70
P5088
Atom HE2 of residue 48
P6826
P4449
P3113
Atom HG23 of residue 12
Atom N of residue 9
P7937
P3944
P2675
P6943
P5865
P2713
P8265
P6443
P5413
Atom C of residue 18
P7460
P4210
Atom HE22 of residue 49
P6858
P7534
P6567
P6862
P2789
P2937
P3443
P7103
CYS
GaussianProcessInterpolation36
P3619
P8901
P4841
P2665
P7315
P7928
P5118
P5823
P2192
P5865
P6297
P10738
P4459
P2371
P5237
P5679
P1971
P7469
P2790
P10027
P6201
P4922
P3721
P11450
P7009
P14
P2010
Atom CB of residue 30
P4069
Atom CA of residue 64
P7029
P5207
P6517
P8353
P6518
P6053
P8205
P4465
P4628
Atom HD13 of residue 71
P8382
P2334
P8530
P7787
P5986
LEU
P6481
P4302
P6459
Atom OE2 of residue 34
P7721
P1924
P1
P2876
P7803
P1623
P3907
P8172
P5580
P3195
VAL
P2724
P4488
P7628
P72
P5087
P7217
Atom O of residue 18
Atom H of residue 73
Atom CD1 of residue 44
P2104
P6453
P3375
P6051
P6863
P1406
P2210
P5077
P3946
P4824
P5959
P3879
P8902
P2562
P6853
Atom CB of residue 31
P1871
P4527
P5068
Atom HD21 of residue 71
P12774
Atom HG2 of residue 62
P6827
Atom N of residue 15
P7938
P2676
P4040
P2698
P7657
P5305
P9382
P142
P3885
P5323
P8027
P1537
P3346
P4526
P8544
P2752
P6519
P6541
P2730
P7461
P4884
P4860
Atom N of residue 94
Atom HB2 of residue 2
P4212
Atom HD11 of residue 3
P8266
P7929
P8181
P3869
Atom O of residue 61
P8432
P4922
Atom HE21 of residue 41
P6816
P12028
Atom HA of residue 34
Atom HD2 of residue 6
P2177
P1703
P4450
P3114
P3945
P7104
P5119
P5824
P6298
P6888
P5680
P2714
P7470
P6444
P5118
Atom N of residue 13
P2200
P3808
Atom O of residue 3
P4211
P8206
Atom CD of residue 16
Atom CD2 of residue 4
P8477
P6568
P2072
P2790
P2938
P6518
P3444
P6054
P3620
P1771
Atom N of residue 50
P4842
P2666
P1407
P7788
P8212
P2677
P10739
P7536
P4460
P5238
P5089
P6854
P6669
P6824
Atom C of residue 64
P7316
P5209
P2791
P2105
P6944
P7804
P1624
P3722
P11451
P7010
P5866
P5581
Atom C of residue 32
P4070
P7030
Atom CD2 of residue 123
P145
P10028
P6202
P7629
Atom O of residue 9
P4466
P4629
P7535
P7218
P6454
P4303
P312
P2877
Atom N of residue 7
P0
P5078
Atom CA of residue 15
Atom CA of residue 17
P5866
P5960
P3908
P3196
P1972
P1319
Atom CG of residue 31
P2000
Atom HA of residue 73
P2725
P4923
P4489
P4885
P2372
P8460
P8433
P2193
GLU
P3376
P6052
P6864
P8298
P1538
P8545
P3947
P1872
P4825
P3880
P6460
P7722
P8903
Atom HD22 of residue 71
P2563
CYS
P5987
P8354
P5307
P6817
P4528
Atom CB of residue 5
P8173
P6859
P8383
P8478
P8531
P1704
P3
P4041
P2699
P1772
P3886
P5088
P6889
P5324
P2011
P8028
P5119
P3347
P7939
P4527
P2753
P6520
P6482
P6542
P2731
Atom CD1 of residue 23
P4861
P4213
Atom HG3 of residue 62
P6828
P3870
P7658
Atom HD3 of residue 11
Atom N of residue 10
P1
P4451
P3115
P2201
P3946
Atom N of residue 42
P5120
P3077
P5825
P10740
P7462
P7537
Atom HB2 of residue 34
P1320
P5239
Atom C of residue 64
P5090
Atom CG2 of residue 22
P2715
P6670
P12775
P2073
P7471
P5210
P2211
Atom HG21 of residue 22
P6945
P7805
P9383
P1625
P4212
P1925
P5867
P342
P5681
Atom HE2 of residue 11
Atom NE1 of residue 123
P2791
P2939
P3445
P8214
P7105
P3621
Atom H of residue 23
P4843
Atom OE1 of residue 16
P2667
P7536
Atom HA of residue 22
P8182
P2678
P4923
P12032
P4461
AngleSingletonScore5
P8299
P6825
SER
Atom HB2 of residue 11
P2002
P2792
P5867
P6055
P3723
P6860
P4071
P7031
P6446
P7789
P4924
P7630
P4467
P4630
P2178
P6569
Atom O of residue 64
THR
P2
P2106
P6483
P6455
P4304
Atom HA of residue 23
P5582
Atom H of residue 22
LYS
P2878
Atom CD of residue 31
P5079
P1626
P6299
P6203
P3909
P3809
P6461
P7723
P3197
P7219
Atom HE3 of residue 48
Atom HG13 of residue 13
Atom SD of residue 1
P8355
P5308
P2726
P4490
P11452
P8174
P7011
P4886
Atom HG12 of residue 23
P8384
P8532
P7317
P6519
P8434
P5961
P5089
P3377
P6053
P1973
Atom HG22 of residue 3
Atom CZ of residue 42
P3948
P10029
P4826
P3881
P4862
P2580
P7930
P6829
P5988
Atom HG22 of residue 22
P7659
P4529
P1926
Atom C of residue 12
P2012
P8479
GLY
P1398
P4042
P2337
P6818
P12033
P3887
P5325
P8300
P5120
P3348
P4528
P2754
P9384
P6543
P2732
P4943
P4214
P8459
P6865
Atom CE2 of residue 123
P3871
Atom CA of residue 20
P8215
P2700
P2194
P8904
P4844
P1336
Atom O of residue 64
Atom HG1 of residue 22
Atom HE21 of residue 62
P8183
P4452
P3116
P3947
P8546
P4924
Atom CD2 of residue 45
P5121
P3078
P6300
P7538
LEU
P5091
P2716
P6671
P12776
P6826
P0
Atom HZ1 of residue 48
P5211
P2003
P6946
P146
P6056
P4213
P73
P5868
P2792
P8029
P2940
P6520
P3446
P7790
P7106
P6521
P10741
P3622
P2668
P7537
P6570
Atom CA of residue 89
P7940
P4462
P5583
Atom HA of residue 22
P2
P2793
Atom HG12 of residue 5
P7806
P5826
P1627
P1873
P5868
P6204
P7463
P3724
P8207
P6890
P6861
P4072
Atom CB of residue 64
P7220
DihedralSingletonScore11
P7032
P7472
P11453
P7012
P4468
P4631
Atom OD1 of residue 93
P1535
P2212
Atom H of residue 76
P6484
P5962
P6456
P4305
Atom HB3 of residue 34
Atom CA of residue 50
P2564
P5682
Atom HB3 of residue 15
P8301
P2879
Atom CA of residue 12
Atom HG21 of residue 13
P4827
P3910
P7724
Atom HG13 of residue 23
Atom HD3 of residue 6
Atom HG13 of residue 23
P3198
P1705
P7931
P5989
P8547
P5309
P2727
P4491
P8175
P4944
P5240
P1974
P7318
Atom OE1 of residue 31
P1399
P2202
P7631
P5090
ListSingletonContainer579
P3378
P6054
P2074
P6445
P4529
P3949
P1874
P10030
GaussianProcessInterpolationRestraint 4
P3882
P2179
P6866
P2338
P5080
ListSingletonContainer264
P4530
ListSingletonContainer553
P8905
P6830
P4043
P5122
P3810
P4925
P4888
P3888
Atom NE2 of residue 41
P5326
P8461
P5121
Atom CD2 of residue 45
P3349
P8436
P8356
P2755
P7660
P9385
P2195
P6544
P2733
P1773
P1927
Atom HG21 of residue 23
P15
P8385
P4215
P12777
P8533
P8030
P3872
P1342
P8216
ARG
P6522
P10742
P12030
P6462
P6891
Atom HD23 of residue 71
P313
P8184
P4453
P3117
P3948
P3079
P6301
P2717
Atom CD2 of residue 45
P8481
Atom CB of residue 123
P1706
P5212
P7807
P5827
P1628
P4214
P8208
P2793
P7473
Atom C of residue 89
P2941
P6521
P3447
Atom CZ of residue 59
P6819
P6057
P3623
P2669
P6571
P6827
P7941
P7791
P2701
P6457
P7464
P4463
Atom HG2 of residue 34
P343
P4863
P5241
P2565
P2013
P2203
P2794
P61
P3725
P7539
P5584
Atom ND2 of residue 93
P5092
Atom O of residue 22
P4073
P6672
P8268
P2075
P7033
P7932
P2213
P6947
P4926
P11454
P7013
P5869
P4469
P4632
P314
Restraint 123
Atom HG of residue 15
P7319
P7221
P1536
Atom NE2 of residue 31
P7107
P8357
P4306
P7632
P5683
P8386
P7538
P8534
P2880
P4925
P10031
P5963
P3911
P12031
P6463
P4945
Atom N of residue 72
Atom CB of residue 64
P3199
Atom HD3 of residue 48
P1343
Atom H of residue 59
P5081
P8548
P5310
P2728
P5869
P4492
P1774
ListSingletonContainer13
P6862
P6447
P2614
P4845
Atom HB2 of residue 41
Atom CB of residue 23
P2180
P3379
P6055
P8462
Atom HE22 of residue 62
P5122
P5990
Atom N of residue 2
P4530
P3950
P1875
P6485
P3883
P5213
P4531
P6205
P3811
Model 288
Atom HZ2 of residue 6
P4044
P8176
P3889
P5327
Model 161
P3350
P2756
P6545
P2734
Atom C of residue 50
P5091
P4864
P4216
P1975
P8031
P3873
P8217
P6892
Linear1DFunction 34
P6828
Atom CB of residue 89
P4454
P3118
P7942
P3949
P4926
P2196
P10743
P1928
P2718
P12778
P1400
P5828
P4215
P7540
P5093
P6673
P8269
Atom CG of residue 123
P2794
P7474
Atom HA of residue 4
P6831
P2942
P3448
GLU
P6948
P7661
P9386
P4828
P6820
P3624
P4887
P12034
P4863
Atom CG2 of residue 23
P5870
P4846
P2670
P2014
P6867
P1707
ListSingletonContainer582
P8435
P3080
P7465
P4464
P8906
P74
P5242
P2566
P5684
P7539
P8185
P2004
P2339
P2795
P6302
P3726
P2241
Atom CG of residue 64
P4074
P2076
P7034
P5311
P5870
P4927
P177
P4470
P4633
P6863
P8480
Atom OE1 of residue 64
P6448
P6522
Atom OE2 of residue 16
P2204
P7108
P8358
P6523
P4307
P8204
P7633
P8387
P6572
P8535
Atom N of residue 63
P2881
P5991
P2214
Atom HA of residue 59
P1310
P5123
P6486
P6058
P3912
P6464
P4946
P3200
P7320
Atom CG1 of residue 26
P7792
P5082
P7808
P2729
P6206
P4493
P12035
Atom HE1 of residue 1
P1401
Atom HZ3 of residue 6
P2615
P2702
P10032
P11455
P8177
P7014
P5585
P3380
P6056
P8463
P7933
P2005
P4531
P3951
P4829
P3884
Atom O of residue 50
P1328
P5092
Atom CB of residue 37
P6868
P7222
P8218
P4532
Atom H of residue 34
P8907
P2181
Atom OG1 of residue 89
P4045
P5964
Multivariate Normal distribution 4
P1929
P3890
P6893
P5328
P1976
P3351
P2757
P6546
P2735
P6458
P7728
P4865
P4217
P3874
P1
Atom CA of residue 64
P8549
P6524
P7662
P9387
P6821
P4864
Atom CB of residue 10
P1480
Atom HA of residue 18
P4455
P3119
P3950
Atom HG21 of residue 61
P4927
P3812
P4847
Atom N of residue 54
P2719
P12779
P6829
P8186
P1876
P6303
P4889
P4344
P7541
P2242
P2
P5094
P6674
P8270
P1326
P2795
P6832
P2943
P3449
Atom C of residue 10
P7943
P8437
P5124
P6949
P3625
P5871
P2671
P2077
Atom OE2 of residue 64
P8032
Atom H of residue 31
Atom CG2 of residue 26
P6523
P2340
P3081
P6855
P4465
P2567
P7540
P6573
P2796
P7109
P1629
P3727
P6920
P4075
P8482
P7321
P7035
P1708
P5123
Atom H of residue 16
P7809
P5871
P10744
P4471
P4634
P5244
P5685
P0
P1469
P7475
P6449
P5214
P2205
Atom HG23 of residue 61
P6
P2197
P10033
P6459
P11456
P7015
P4308
Atom HB3 of residue 41
P2882
P7934
Atom CG2 of residue 89
P2006
Model 264
P6059
P3913
P7466
P7726
P3201
Atom CB of residue 4
P7793
P5992
Atom HE22 of residue 41
ListSingletonContainer272
P2730
P4494
ARG
P1402
P6207
P4928
P8178
P1775
Atom HG21 of residue 55
P5586
P3381
P6057
Atom CA of residue 43
P2015
P8464
P3952
P4830
P3885
P7634
P5093
Atom O of residue 26
P6869
P7223
P8550
P2703
P6465
P8908
Atom HA of residue 4
P344
P4046
P5083
P8359
P4533
P5965
P3891
P5329
P6864
P8388
P8536
Atom HA of residue 31
P3352
P2616
P2215
Atom CD2 of residue 59
P4532
P2758
P5312
P6547
P2736
P4890
P4345
P4947
P2
JeffreysRestraint_P1
P4218
P6833
P3875
P5215
P7944
P0
P8438
P6525
P7663
P9388
P6487
P131
P12036
P178
P1505
P8033
P5124
LYS
P4456
P3120
P3951
P6856
P1877
P7727
P1349
P2720
P8187
P6822
P6921
P4104
P8483
P8271
P2796
P2944
P3450
P5125
P7810
P3813
P3626
P2672
P4867
P2182
P1837
P5686
P1977
Atom CG2 of residue 3
P1470
P7476
Atom C of residue 55
P3082
P4466
Atom HG2 of residue 41
Atom CA of residue 64
P6574
P7935
P8219
P2797
P4928
P6060
P7467
P3728
P1776
P4865
P4848
Chain A
P4076
P12780
P7036
P7794
ListSingletonContainer554
P7542
P4472
P4635
P6865
P6675
P6830
P7322
P6450
Atom CG of residue 2
P7110
P6950
P1644
P6460
P4929
P11457
P7016
P4309
P5872
Atom HG22 of residue 55
P5587
P2016
P8465
P2883
Atom HZ1 of residue 6
P2206
Atom C of residue 64
Atom HD11 of residue 61
P2704
P6488
P10034
P3914
P10745
P7635
P1930
P7541
P3202
P7224
P2007
P2341
P5313
P2731
P6304
P4495
P6466
Atom CG of residue 64
P5084
P8360
P5872
P4534
P5966
P2243
Atom CA of residue 54
P5096
P8389
P3382
P6058
P1350
P8537
Atom CG2 of residue 14
P6524
P3953
P4
P3886
P6953
ListSingletonContainer103
P2198
P133
P6208
P91
Atom N of residue 27
Atom CA of residue 63
Atom CA of residue 4
P8220
P4047
P6857
P7729
P3892
P4948
P5243
P5330
P1403
Atom O of residue 26
P3353
P5993
P2617
P4533
P2759
P6548
P6823
P2737
P8179
P6922
P4891
P4346
Atom CA of residue 3
P4219
P8272
P1471
P3876
P5216
Atom HB2 of residue 31
P8439
P4831
P4866
P5094
P1978
P6870
P8034
P5125
P4457
P3121
P7945
P3
P3952
Atom O of residue 55
Atom O of residue 64
P1506
P8909
P2721
Atom CD2 of residue 45
P8551
P4929
P6305
P4105
P8484
P2797
Atom O of residue 89
P2945
P3451
P3627
P7543
Atom CA of residue 1
P2673
P8390
P6676
P7477
P6451
P6525
P2216
P6951
P3083
P6526
P7664
P9389
P1645
P1823
P4467
P5873
P4849
P1838
P5687
P2798
P10746
P3814
P7468
P3729
P1931
P1312
P7542
P4077
P12781
P7037
P6834
P8188
P2342
P7811
GeneralizedGuinierPorodFunction 9
Atom HG of residue 50
P4473
P6894
P4636
ClosePairContainer
P6866
P6831
P7111
P5127
P5873
P6061
P4310
P2884
Atom CE1 of residue 4
P7795
P6489
P3915
P12037
P7636
P4866
P2183
P3203
P6575
Atom CD of residue 64
P0
P5314
P2732
Atom CB of residue 2
P6209
P4496
P2244
P5588
P2017
P1709
P7936
P5085
P8552
P4535
P4949
P5245
P5097
P3383
P6059
P7225
P1483
P4534
P2199
P3954
P6461
P11458
P3887
P8180
P7017
P7730
Atom CA of residue 16
P7323
Atom N of residue 5
Atom H of residue 14
P4832
P5967
P4892
P5095
P6871
P1405
P4048
P1630
P10035
P8910
P3893
P5331
P3354
P2207
P5994
P2618
Atom HD12 of residue 61
P2760
P6549
P2738
P4930
P6923
P12038
P4347
P345
Atom C of residue 54
P6895
P3877
Atom CB of residue 26
Atom HD22 of residue 8
P8221
P8440
P8364
P6824
P4867
P8466
P2078
P6835
P4458
P3122
P3953
P6858
P6527
P7665
P9390
P6467
P2722
Atom HB3 of residue 31
P2008
Restraint 61
Atom CB of residue 64
P144
P6306
P4106
Atom HE22 of residue 49
P4220
P8485
P8538
P2798
P8189
P2946
P3452
P2217
P7812
P4
P3628
P7544
Atom HD11 of residue 50
Atom H of residue 41
P2674
P6677
P12782
P6832
P5217
P6526
P6952
P3084
P6062
P4468
P5874
Atom HG23 of residue 55
GridCPF
Atom C of residue 43
P8035
P5127
P7796
P2799
P1324
P10747
P3730
P12039
P17
P7543
P4078
P6576
P7038
P7946
P8367
P11459
P1777
P1507
Atom C of residue 16
P4474
P5096
P4637
P5589
P8391
P1376
P7937
Atom CB of residue 20
Atom CB of residue 55
P5874
P4931
P4311
P7731
MET
P4869
P2184
P8273
P7226
P7478
P2885
Atom CB of residue 63
P2012
P4535
P2705
P3916
P6462
P7018
P3204
P1710
P4930
P2733
P5968
P7469
P4497
P4893
P6468
Atom O of residue 54
P5246
P1839
P5688
P2018
Atom HD23 of residue 8
P8553
P1631
P51
LEU
P5316
P6867
P3384
P6060
Atom CB of residue 43
P8467
P2079
P5995
P7112
P3955
P3888
P8181
P4850
P1979
Atom CA of residue 23
P7324
P6452
P6836
P8441
P5126
P6490
P0
P7637
Atom N of residue 50
P8539
P1484
Atom OG of residue 20
P2208
P4049
P6859
P5317
P10036
P3815
P3894
P4869
P4950
P5332
Atom HG2 of residue 31
P3355
P2619
P5086
P2761
P6550
Atom OE2 of residue 7
P4536
P2739
P1932
P2245
P6896
P8486
P3878
ClosePairContainer
P2011
P2200
Atom HG2 of residue 6
P1377
P5218
Atom HA of residue 14
P4459
P3123
P3954
P7666
P9391
P6210
P1778
P2723
P8036
P2343
P4931
Atom HD2 of residue 45
ListSingletonContainer199
P10748
P177
P4348
P4107
P4221
P1980
P8274
P2799
P8190
P2947
P3453
Atom HE3 of residue 6
GeneralizedGuinierPorodFunction 53
P3629
P6924
P1508
P2803
P276
P8392
P6577
P8223
Atom CG2 of residue 55
Atom OE1 of residue 64
P2706
P3085
P4833
P4469
Atom HA of residue 2
P4851
Atom HA of residue 41
P4870
P6872
P7479
Atom CG of residue 63
P2218
P2800
Atom HD13 of residue 61
P6825
P6063
P3731
P8911
P4079
P12783
P6833
P7039
P7947
P7797
P2009
P8368
P6307
P7470
P11460
P4475
P4638
P1840
P4932
P4312
P7545
Atom CA of residue 56
P5590
P1318
P6868
Atom CG of residue 43
P6678
P2886
P7938
Atom H of residue 20
P6527
P4536
P6953
P6528
P3917
P7019
P12040
P5875
P3205
P7325
P7227
P6453
P2734
P6491
Atom C of residue 9
P4498
P6469
P7638
P1933
Atom CG1 of residue 61
P2185
P5247
P5689
P7544
Restraint 138
P1378
P8540
P1472
P5126
P2344
P7813
P1632
P10037
P5969
P76
P4951
P3385
P6061
P2019
P8468
P5087
P7113
P5128
P3956
P5875
P3889
P4834
P3816
P0
Atom HG3 of residue 6
P6873
GridCPF
P5996
P4050
P6211
P8912
P3895
P2246
P5333
P1536
P3356
P2620
P2762
P2707
Atom HE2 of residue 45
P6551
P4537
P2740
Atom N of residue 22
P3879
P6463
P8182
P6925
Atom HD12 of residue 50
P2804
P4460
P3124
P3955
Atom OE2 of residue 64
P8554
P6529
ScoreState 4
Atom HB2 of residue 27
MovedSingletonContainer1
P2724
P8037
Atom HB of residue 14
P4932
P2201
P134
P4349
P4108
P4222
P1981
P8275
P2800
P2948
P3454
P7948
P5315
P147
P6308
P10749
P3630
P6897
P1379
Atom CG of residue 4
P3086
P4894
P7546
P4470
P7732
P4852
Atom CB of residue 54
GaussianProcessInterpolationRestraint 37
P6679
P7480
P6528
P2801
P6954
P6860
P7667
P9392
P6826
P3732
P1509
P5876
Atom O of residue 10
P4080
P12784
P7040
P7471
Atom HD13 of residue 50
P4476
P4639
P7545
Atom CD1 of residue 43
P1473
P1711
P8191
P2209
P8442
P7814
ListSingletonContainer451
P4933
P4313
P346
Atom HG2 of residue 27
P8487
P6578
P2887
P6837
P5219
Atom C of residue 7
Atom HG22 of residue 61
P5129
P8361
Atom N of residue 47
P5876
P3918
P6464
P12041
PRO
P1841
P3206
P2080
P6454
P5128
P8222
P2010
P7114
P2735
P3817
P4499
P179
P7639
P4868
P5248
P5690
P0
P5997
P1633
P24
P6064
P4952
Atom CA of residue 4
P3386
P6062
P7326
Atom HG3 of residue 31
P7798
P5088
P29
P3957
P3890
P8913
P1934
LEU
P6834
P2345
P10038
P4835
P11461
P8183
P7020
Atom CG of residue 54
P5591
P2254
P6874
P7939
P4051
P8555
P6861
P4935
Covariance1DFunction 62
P6470
P3896
Atom C of residue 56
P5334
P8242
P7228
P3357
P2621
Atom H of residue 55
P4537
P3077
P2763
P6552
Atom CA of residue 47
P4538
P6212
P2741
P4895
P6869
P8470
P1353
Atom C of residue 63
P3880
P5320
P5970
P6926
P6898
P2805
P4461
P3125
P3956
P6530
P6492
P0
P2020
P2725
P1712
P1404
P2210
P4933
P7668
P9393
P6827
P4350
P1779
P4109
Atom H of residue 10
P8488
P2801
P2949
P5220
P3455
Atom CG of residue 39
P3631
P2081
P8192
P8443
Model 50
P7815
P3087
P2202
ListSingletonContainer322
P12042
P7547
P4471
P7733
P4874
P6680
P6835
P6838
P2802
P6955
P8362
P3733
P5877
P4803
P4081
P7041
P8038
P5129
P2708
P4477
P4640
P5249
P277
Atom CA of residue 50
P7546
P6579
P8277
P7949
Atom HA of residue 55
P1634
P6493
P25
P4314
P1510
Atom HD21 of residue 50
P2249
P6870
Atom HB of residue 23
P7327
P2888
P8224
P5130
P5877
P3919
P10750
P6465
P4853
Atom HG3 of residue 27
Atom O of residue 56
P3207
GaussianProcessInterpolation69
Atom O of residue 43
P1354
P7481
P6455
Atom OD2 of residue 39
P5321
P2736
P10039
P4500
P11462
P7021
P4937
Atom CA of residue 19
P1343
P12785
MovedSingletonContainer4
P6309
P7472
P12043
P6471
P77
Atom HD22 of residue 8
P66
P1842
P3387
P6063
P1982
P0
P1408
P7799
P5998
P7115
P3958
Atom C of residue 47
P4936
P3891
Atom CD of residue 54
P2255
Atom HE22 of residue 31
P6529
P6065
P8184
P1780
P5691
P5592
P7940
P4052
P6862
P3818
P7640
P1935
P3897
P5335
P7229
P3358
P2622
P2219
P4538
P2346
P3078
P4934
P8363
P2764
P6553
P2742
P4896
P4953
P1474
P3881
P5089
Atom HB2 of residue 45
P4539
P5971
P8914
P1345
P2806
P2021
Atom O of residue 63
P4462
P3126
Atom CD1 of residue 13
P3957
P4836
P6213
P7734
P4875
P2726
P6875
Atom OE2 of residue 64
P6839
Atom HB of residue 3
P7669
P9394
P4351
P4110
P4804
P8489
P2314
P2802
P8039
P2950
P5221
P3456
P8556
ListSingletonContainer104
P6310
P3632
P2186
P280
JeffreysRestraint_P0
P8193
P1409
P2211
P8444
P3088
P6828
P6927
P4472
P4940
P2250
P8469
P1351
P6530
P8225
P3059
P6531
P5318
P3734
P4854
Atom HD23 of residue 8
Atom C of residue 50
P4082
P7042
P7482
P6456
P5130
Atom CG of residue 11
P2013
Atom CG of residue 64
P180
P1511
P4478
P4641
Atom HA of residue 8
P6580
P2220
P7816
P6494
P4838
P7473
P4315
P6899
P6871
P2889
P7800
Atom HB of residue 55
P5131
P3920
P10751
P7548
P3208
P6681
P7328
P7950
Atom OE1 of residue 34
P6956
P2709
P2737
P6066
P4501
P11463
P7022
P5878
P347
P1843
P5692
P5593
P1983
P12786
P1475
P7941
PairScore 7
P1415
Atom H of residue 39
P10040
P12044
P7641
P7547
P3388
P6064
P1352
P7230
P4539
P8557
P7116
P4935
P5319
P3959
P3892
P4954
P2187
P8276
P6836
Covariance1DFunction 12
P5090
P2203
P5878
P4540
P5972
P6466
P4053
P6214
P3898
Atom HD22 of residue 50
P5336
P2256
P6876
P1713
Atom H of residue 64
P3359
P2623
P4663
P3079
P2765
Atom HB3 of residue 45
P6554
P2743
GaussianProcessInterpolation46
P8915
P1936
Atom NZ of residue 27
P5250
PairsRestraint 3
P4805
P3882
Atom H of residue 34
ListSingletonContainer446
P178
P4937
Atom HA of residue 46
P1333
P6900
P8492
P4463
P3127
P3958
P5999
P6829
P8185
P6928
P2727
P3060
P6863
P6532
P3819
P4352
P6472
P4111
Atom HE2 of residue 1
P3059
P8040
P2951
P3457
P6311
P3633
P4898
P2807
P8471
P7817
P3089
ListSingletonContainer273
Atom CG of residue 46
P4473
P1321
P4941
P2082
Atom HG23 of residue 9
Atom N of residue 32
P1451
P6531
P8226
Atom CD of residue 64
P5132
P10752
P3735
P7549
P2357
Atom HA of residue 4
P4083
P6682
P7043
P7483
P5131
P7951
P2212
P6957
P7670
P9395
P5879
P1334
P4479
P4642
P8243
P6840
P5223
Atom N of residue 12
P8496
P4839
P7474
P4316
P12045
P7548
P2022
P12787
P1357
P2890
Atom HG21 of residue 12
Atom O of residue 39
P4540
P8250
P5829
P1635
P3921
P5
P7735
P3209
P6837
P1714
Atom HA of residue 65
Atom HE2 of residue 6
P4861
P4664
P2738
P137
P5879
P6067
P6467
P4502
Atom HE2 of residue 27
P5251
P5693
P8493
P1476
P7801
P6473
P7642
P3
P4937
P3389
P6065
P6581
P8278
P8558
P2710
P2204
P3960
P6495
P3893
P4220
P4955
P5594
P6
Atom O of residue 50
P6872
P4806
P7942
P1410
P5091
P4541
Atom H of residue 2
P4855
Atom HB1 of residue 46
P1543
P7231
P4054
P4937
P11464
P8186
P7023
P1781
P3899
Atom N of residue 56
P5337
P7329
P3360
P2624
Atom HA of residue 34
Atom OG1 of residue 55
P2766
P6864
P6555
P5973
P6
P2744
P1512
P7736
P27
P2083
P8244
P3060
P3883
P7117
P10041
P4940
P2247
Atom H of residue 27
P6901
P8472
P6457
P4464
P3128
P3959
P6000
P2221
P9396
P80
P6929
P2728
P1358
P6841
P4862
P3061
P3080
Restraint 80
P6830
P4112
P1844
P4807
P5132
P2952
P3458
P2347
P7671
P3634
P4857
P2808
P1452
Atom HB2 of residue 65
P3090
P4474
Atom HD23 of residue 50
P2023
P2257
P2213
P8227
Atom H of residue 71
P1636
P4871
P6215
P3736
P7550
P2188
P278
Atom H of residue 5
Atom CD1 of residue 73
P4084
P8490
P6683
Atom CZ of residue 4
P6877
P7044
P7952
P6958
P8494
P6068
P4221
P8916
P4936
P5880
P4480
P4643
P5
P6838
P8041
Atom HA of residue 64
P7802
P2014
P6312
P10753
P3820
P4317
P1937
Atom CG of residue 4
P7549
P6582
P8279
P2891
PairsRestraint 6
P4541
P8242
P5830
P2205
P6496
P3922
P4897
P1782
P5595
Atom CB of residue 50
P6873
P4808
P3210
P6458
P7943
P6532
Atom CB of residue 39
P4665
P6533
P2739
P5880
P4503
P12046
Atom HB2 of residue 46
P5252
P12788
P7232
P7484
P11465
P7024
P6474
P4938
P3390
P6066
P1715
ASP
Atom OG1 of residue 12
P7818
P3961
Atom CB of residue 46
P5974
P7475
P3894
P7737
P8491
P5222
Atom HD21 of residue 8
P8495
P2711
Atom C of residue 16
P1355
P6001
P4055
P2222
P4940
P5133
P8187
P1513
P3900
P5694
P5338
P6878
P2319
P7330
P1478
P3361
P2625
P8243
P2767
P6556
P2745
P7643
P8917
P8245
P3061
P3884
P7118
P10042
P4858
P4956
P2248
Atom HE3 of residue 27
phys
P8473
P4465
P3129
P3960
P5092
P9397
P4542
P6468
P1845
P2729
Atom HB2 of residue 64
Atom HG12 of residue 3
P4863
P8228
P2348
P3062
P3081
P8559
Atom HA of residue 71
P6534
Atom OD1 of residue 46
P4872
P6216
P4113
P348
Atom CD2 of residue 73
P2953
P1416
P3459
P7953
P7672
P179
P3635
P2809
P3
P1356
P8042
P3091
P6313
P10754
P4475
P6902
P2189
Atom HB3 of residue 65
P5831
P3737
P6930
P4085
P7045
P6533
P6865
P3821
P12047
P4222
P1938
P4481
P4644
P2024
P7485
P6831
P6069
P4318
P4899
P7551
P6583
P8280
P2892
P7803
P5134
P7819
P6497
P3923
P7476
P3211
P6459
Atom CB of residue 34
P0
P4666
P2740
P6469
P4504
P5596
Atom O of residue 16
P2258
P6684
P12789
P7944
P6959
P1637
P11466
P7025
P5881
P5695
P3391
P6067
JeffreysRestraint_P1
P6839
P7331
P7233
P5133
P5224
P3962
P3895
P7644
P4872
P4
P7550
P6842
Atom HB3 of residue 4
P2015
P4542
P2206
P10043
P5975
P7738
P258
Atom O of residue 24
P4957
P1717
P1453
P2214
P4056
P8243
P5093
P7119
P8497
P5881
P3901
P5254
P5339
P4809
P6879
P3362
P2626
P8560
P2768
P6866
P6557
P11
P2746
P4934
P6475
P8918
P3062
P3885
P6002
GLY
P19
P6874
P8474
P2084
P1359
P4466
P3130
P3961
P2362
Atom HA of residue 2
P8246
Atom ND2 of residue 46
P4543
GLY
Atom HD11 of residue 30
P6903
P2730
P3082
P3081
P6535
P4873
P8188
P6931
P4114
P4
Atom HB3 of residue 64
P2954
Atom HE21 of residue 31
P3460
P6217
P3636
P1514
Atom CB of residue 24
P1335
Atom HD2 of residue 27
P2810
Atom HB3 of residue 8
P1477
P8043
P7954
P3092
P4900
P7552
P4476
P4936
GLN
P1417
P2223
P3063
P7820
P5832
P1638
P67
P10755
P12
P3738
P1783
P4859
Atom N of residue 73
P4086
P8246
P7046
P5134
Atom HD3 of residue 6
P4864
P1605
P4223
P4482
P4645
P1846
Atom HE22 of residue 40
P7551
P6685
P1360
P7486
Atom HG of residue 65
P2016
P6960
P7673
P9398
P6832
P4319
P12048
Atom C of residue 35
P5882
P2190
P8281
P1718
P2893
P6843
P5225
P1454
P5135
P2609
P6498
P3924
P3822
P7477
P4873
P6875
P3212
P2025
P2259
phys
P4667
P2741
P6470
P4505
P1336
P8229
P4936
P8499
P2712
P5097
P5882
P5696
P279
P4810
P3392
P6068
P2085
P6840
Atom CG1 of residue 44
P3963
P6314
P3896
P6476
P7645
P1939
Atom HD12 of residue 30
P6584
P2215
P6003
P4543
P6070
P4958
Atom CA of residue 47
P1848
P8475
P7332
P6460
Restraint 41
P6534
P7804
P4057
P5094
P8247
ListSingletonContainer198
GaussianProcessInterpolationRestraint 14
P3902
P5340
P12790
Model 2
P3363
P2627
Atom HB2 of residue 71
P2769
P6867
P10044
P6558
P2747
P11467
P8189
P7026
P5597
Atom H of residue 73
P7945
P3886
P2349
P7120
P1784
P4860
P1375
P1361
P7234
P4467
P3131
P3962
P2207
P4544
Atom HD12 of residue 8
P2731
P1418
P2224
P8240
Atom CG2 of residue 44
P3083
P5833
P105
P5976
P6932
P4115
P7739
Atom HD3 of residue 27
P6880
P8247
P1479
P3063
P2955
Atom HA of residue 7
P3461
P4865
P1606
P3637
P8919
P2811
P5253
P6686
Atom N of residue 66
P8561
P3093
P7674
P9399
P4841
P6833
P6315
P4901
P4477
P1515
Atom CG of residue 37
ARG
P349
P4935
P8282
P1823
Atom HG2 of residue 64
P6844
Atom CA of residue 10
P8230
P3064
P2610
P1639
P6499
P6218
P3739
P4874
P4087
P7047
P5135
P6535
P2017
P2713
P6536
P4224
P7553
P4483
P4646
P7552
P6961
P5098
P4320
P5883
P4811
P2026
ALA
P6841
P8044
P5226
P7821
P3925
ListSingletonContainer323
Atom O of residue 35
Atom HH21 of residue 72
P6904
P2191
P6876
P3213
P6585
P7955
P4668
P2742
Atom CA of residue 46
Model 56
P4506
Atom HA of residue 73
P1362
P7333
P6461
P1455
P2350
P5883
P10756
P259
P1940
P3393
P6069
P2260
P7487
Atom HB3 of residue 71
P3964
P10045
P11468
P3897
P7027
Atom H of residue 8
P4544
P8562
P5137
P132
P6071
P7478
P12049
P2679
P5598
Atom HG3 of residue 64
P7805
P6004
P4058
P8248
P6471
P3903
P5341
P12791
SingletonModifier 0
P3364
P2628
P2770
P6559
P3823
P2748
P8190
P4876
P1849
P5697
GLN
P6881
P1481
P7946
P3887
P7121
P7646
P8920
P4861
P7235
P4468
P3132
P3963
P75
P4959
P6905
P2732
Restraint 19
P1419
P8241
P5095
P3084
P8500
P4545
P6219
P1785
P4116
P7747
Atom NE of residue 5
P4805
P5255
P3064
P2956
P3462
P2018
Atom CD1 of residue 44
P6868
P6537
P3638
P6477
Atom HB of residue 7
P2216
P2225
P3094
P7675
P9400
P6316
P5977
P4902
P4478
Atom CA of residue 28
P8045
P8231
P3065
P7822
P2675
P3740
ListSingletonContainer568
P4088
P8476
Atom HB2 of residue 15
P7048
P6845
ILE
P6536
P2208
P6933
P4225
P4484
P4647
P5099
P4321
P2680
P4812
P8248
P7488
P5227
P1607
P3926
P4875
P2192
P5599
P3214
P6687
P6586
P1363
P2135
P1716
P7956
P4669
P8244
P1641
P2743
P4840
P6072
P7479
P4507
P7740
P4877
P5137
P7806
P4866
P8501
P2714
P6834
P10757
P6472
P7554
P2055
Covariance1DFunction 70
P3394
P6070
Atom HB2 of residue 73
P7334
P8242
P6962
P3965
P11469
P3898
P7028
P6478
P1516
P5884
P5698
P4
P12792
P2086
P7947
P1456
UnaryFunction27
P5834
P10046
Multivariate Normal distribution 14
P12050
P7647
P6877
P7553
P8283
P6842
P7236
Atom HG1 of residue 7
P4059
P6500
P3904
P4960
Atom HB3 of residue 46
P5342
Atom NE2 of residue 2
P1420
P3365
P2629
P5096
P2771
Atom OE2 of residue 64
P6560
P5884
P2749
Atom H of residue 35
Atom C of residue 2
P5256
P1366
P3888
P4545
P6869
P4856
P2027
P8477
P8249
P4469
P3133
P2217
P3964
P5978
P6934
P4903
P6906
P2261
P2733
P6462
Atom C of residue 3
P3085
P5136
P2676
P4546
P1517
P4117
Atom CB of residue 25
P3065
P2957
Atom C of residue 66
P3463
Atom HD2 of residue 6
P4867
P6005
P3639
P8191
P4821
ScoreState 37
P2019
P7122
P3095
P3824
P180
P4479
P7741
P1941
Atom CA of residue 41
P6688
P8046
P5228
P3066
Atom HA of residue 64
P5835
P2209
P6835
P3741
P4876
Atom CE of residue 11
P4089
P1367
P7049
Atom HG2 of residue 1
P7957
P65
P4226
P1786
P4485
P4648
P6882
P2087
P2351
P5097
P2715
P5100
P1608
P10758
P4322
P7555
P8923
P2681
P1850
P8284
P6843
P7489
Atom HG of residue 71
P6963
P7676
P2677
P9401
P6501
P4842
P6317
P3927
P5885
P3215
Atom H of residue 44
P4670
P8245
P2744
P6220
P7480
P4508
P12051
P4878
P6878
P7554
P8267
P6463
P6537
P8502
P6538
P260
Atom C of residue 2
Atom OD1 of residue 25
P3395
P6071
P1
P6689
Model 367
P6846
P1457
P3966
P5885
P6073
P3899
P6479
Atom HA2 of residue 35
P5699
Atom HB3 of residue 15
P1368
P7807
P2226
P7823
Restraint 104
P7648
P1942
P350
Atom HZ3 of residue 27
P6587
P4060
P3905
P4961
Atom CG2 of residue 61
P5343
P1629
P12793
P7948
Atom N of residue 65
P3366
P2630
P2772
P1640
P6561
P2750
Atom N of residue 47
P4868
P2193
P5257
P2028
P6883
P7237
P5136
Atom C of residue 1
P3889
Atom CG of residue 1
Atom O of residue 66
P4546
P11470
P8192
P7029
Atom HB3 of residue 6
P8478
P7335
Atom H of residue 42
P4470
P3134
P3965
P5138
P129
P6836
P5979
P6935
P7742
P4813
P2734
P1488
P2352
P3086
P10047
P4547
P6473
P4118
P1369
P3066
P2958
P3464
P2218
P4868
P6006
Atom HD12 of residue 71
P6539
P6318
P3825
P3640
Atom C of residue 41
Atom HD13 of residue 8
P7123
Atom HB2 of residue 64
P3096
P5101
P4480
P1518
P8924
P3067
P7677
P5836
P9402
P4843
P3742
P1787
Atom C of residue 4
P6907
P5600
P4090
P2317
P7050
Atom HE2 of residue 1
Atom HA of residue 44
P6221
P4227
P4486
P4649
P1851
P2262
P6538
GLN
P5098
P6870
P2210
P4323
P7556
Atom HG21 of residue 30
P2682
P2354
P8285
P7958
P6964
P2678
P6502
P6074
P3928
P5886
P3216
P8047
P7808
P4671
P2716
P7824
P2745
P10759
P4509
P4904
GaussianProcessInterpolation54
P7555
P8232
P6588
Atom OE2 of residue 34
P6464
P6474
P3396
P6072
P1630
P6690
P7949
SER
P6847
Atom CD of residue 51
P2227
P3967
P5886
P3900
P12052
Restraint 11
P7238
P7490
P2020
P1609
P11471
P7030
P4877
P5229
P4061
Atom C of residue 49
P5139
P5980
P7481
P3906
P4880
P5344
P281
P4814
Atom N of residue 28
P12794
P5138
P2100
P3367
UnaryFunction19
P2631
P2773
P6562
P2751
P5260
P6884
P3890
P6007
P4547
P6871
P8193
P6480
P264
P5700
P8250
P7336
P4471
P3135
P3966
P8498
P7649
P1943
P20
P6879
P2735
P1370
P1482
Atom HA of residue 42
P3087
P7124
P1870
P21
P4119
P7743
P4962
Atom HB2 of residue 56
P6908
P5601
P6844
P3067
P2959
P3465
P4872
P6540
ListSingletonContainer65
P6319
P3641
Atom N of residue 43
Atom OE2 of residue 51
P2353
Atom HD13 of residue 71
P3097
P10048
P4905
P4481
P8925
P2194
P2355
P2029
P8480
Atom HA of residue 34
P7959
P2021
P3068
P7678
P9403
P4844
P4548
P3743
P4878
Atom HD21 of residue 8
Atom HD1 of residue 4
P2263
P4091
P7051
P8048
P1458
P6503
P10760
P4228
P4487
P4650
P2219
P6222
P3826
P181
P4324
P6936
P2683
P6691
P2088
P6848
P5230
P1421
P7825
P38
P3929
P12053
Atom CA of residue 35
P3217
P7491
P1
P4672
P5837
P2746
P6075
P4510
P1788
P5261
P6880
P6589
Atom CB of residue 28
THR
P7809
P2228
Atom O of residue 49
P6475
P7482
Atom C of residue 9
P284
P3397
P6073
P1631
P5139
Atom HE2 of residue 11
P2717
P1642
ListSingletonContainer151
P3968
P1610
P3901
P7557
Atom C of residue 1
P8287
P7950
Atom HH21 of residue 72
P6965
Atom CG of residue 64
P6837
P11472
P7031
P6481
P1519
P5887
P5701
P1514
P8251
P7337
P7239
P4062
P5140
P2211
P7650
P3907
Atom CA of residue 25
P5345
P7556
Model 129
P6845
P6465
P6539
P3368
P2632
P2774
P5102
P6563
P5981
P2752
P4963
Atom HB3 of residue 56
P351
P5602
Atom HZ2 of residue 29
P3891
P4873
P2022
P4548
P6872
P5887
P8921
P1847
Atom N of residue 41
P1371
P4472
P3136
P3967
P8372
P10049
P1944
P23
P2736
P6008
P3088
P4120
P12795
P2089
P3068
P2960
P3466
P3642
P4879
P2195
P2030
P6885
P2354
P7125
P3098
P6937
P4223
P4906
P4482
Atom C of residue 2
P2356
LEU
P1459
Atom H of residue 51
P3069
P4845
P4549
P6320
P3744
P4879
Atom O of residue 2
P4816
P4092
Atom HB2 of residue 34
P7052
P8049
P7960
P2220
Atom HD21 of residue 71
P5838
P4229
P4488
P4651
Atom H of residue 28
P1
P6540
P7826
P6541
P5103
P10761
P4325
P2684
P1485
P5231
Atom HG2 of residue 6
Atom HG3 of residue 48
P1643
P3930
P7558
P3218
P1977
P7492
Atom CA of residue 66
P2023
Atom C of residue 25
P4673
P1908
P6966
P7679
P9404
P2747
P6838
P6223
P3827
P4511
P12054
P1520
P5888
P6909
P6881
P2264
P6692
P8479
P8252
P6849
P7483
P1789
GeneralizedGuinierPorodFunction 26
P7557
P3398
P6074
P6846
P6466
P5140
P3969
ListSingletonContainer180
P3902
P8922
P80
P2229
P2718
P5888
P5702
P4063
P5141
P8373
P7744
P7651
P3908
Atom HB3 of residue 15
P5346
P1515
P6590
P3369
P6009
P2633
P2775
P2614
P6564
P6076
P8
P2753
P6476
P4964
Atom HZ3 of residue 29
P1632
P7338
Atom CB of residue 3
P3892
P1431
P7810
P4874
P4549
P1945
Atom HG2 of residue 1
P6886
Atom HZ3 of residue 29
P4473
P3137
P3968
Atom CB of residue 49
P10050
P11473
P7032
P2737
P8286
P2313
P7951
P3089
P4846
P6321
P4121
P6910
P4881
P12796
P7240
P3069
P6850
P2961
P3467
Atom HD22 of residue 71
P2212
P3643
P6
Model 246
P7126
P1909
P3099
P6873
P6542
ListSingletonContainer99
P6692
ListSingletonContainer276
P5982
P6938
P4224
P6482
P4483
P5603
P1486
Atom HG3 of residue 6
P2355
P3070
P1611
P4550
P3745
P2196
P4093
P1978
P7053
Atom CB of residue 25
P7680
P9405
P6839
P4230
GLN
P4489
P4652
P2357
P6693
P6541
P5104
P4326
P1490
P2685
P1573
Atom HB3 of residue 34
P2112
P2029
P1646
P6224
P3931
P4908
P7559
P7
P3219
P8481
UnaryFunction32
Atom HE2 of residue 48
P4674
P6967
P2748
P4512
P4880
P5889
Atom HG of residue 56
P1364
P8050
P1460
Atom HA of residue 25
P5142
P7745
Atom HB3 of residue 20
P5258
P4815
P7558
P3399
P6075
P6591
P5141
P7961
Atom O of residue 51
P4941
P7827
P3970
P3828
P6477
P3903
Atom N of residue 30
P2265
P1633
P6847
P7339
P5233
P5889
P10762
ListSingletonContainer324
P6483
Atom HA of residue 39
Atom HB3 of residue 1
P282
P2031
P8253
P7493
Atom HA of residue 28
P4064
Atom CG of residue 49
P1333
P5839
P10051
P11474
P7033
P3909
P5347
P6882
P3370
P2221
P2634
P2776
P2615
P6504
P6565
P6077
P2754
P7484
P12055
Atom HG of residue 15
P4882
Atom CA of residue 43
P3893
P7811
P6010
P4550
P1612
Atom HD11 of residue 56
P21
P12797
P8288
P1365
P4474
P3138
P3969
P6874
Atom HG of residue 20
P5703
P5604
P2738
P7952
P1432
P0
P3090
P2213
P1792
P4122
P7652
P6911
P7241
P3070
P6467
P2113
P2962
Atom HB3 of residue 25
P3468
P3644
Atom HE1 of residue 1
P4112
P4965
Atom CG1 of residue 3
P2090
P1316
P3100
P5983
P4225
P4484
Atom HG2 of residue 34
P6851
P2318
P2030
P3071
P2719
P1647
P4551
P3746
P2358
P2032
P1516
P4094
P8482
P7054
P1348
Atom HD12 of residue 8
P4942
P8374
P7681
P5840
P9406
P4231
P1491
P4881
P4490
P4653
P8051
P1311
ListSingletonContainer100
P6505
P4327
P7746
P352
P2686
P0
P6694
P6887
P5142
Atom HB1 of residue 28
P7127
P6322
P3932
P6939
P1946
P1574
P3220
Atom N of residue 30
P1461
P8381
P4675
P2749
P4513
P4817
P8254
P1487
P7494
P1422
P4847
P5259
P6883
P3400
P6076
P6592
P6468
P6542
P7962
P2222
P2356
P4
P6543
P5105
P3971
P6840
P6078
P7485
P3904
P2197
P7812
Atom CD of residue 49
P10763
P6484
P1793
P7560
P1979
P8289
Atom HA2 of residue 35
P7340
P4065
P6968
P7828
P11475
P7034
P4907
Atom HB2 of residue 39
P81
P3910
P5890
P5704
P5605
P5348
P2266
P2091
P7953
P3371
P2635
P1910
P8375
P2777
P10052
P6566
P2755
P12056
P7653
P4883
P7559
P7242
P1349
P3894
P4551
Atom OE1 of residue 64
P4966
P1517
P6888
P4475
P3139
P3970
P5890
P5984
P183
Atom HD12 of residue 56
P2739
P6848
P5232
P6544
P3091
Atom HD11 of residue 71
P6544
P1648
P4123
Atom CG2 of residue 3
Multivariate Normal distribution 22
P12798
P3071
P2114
P2963
P3469
Atom HB3 of residue 6
P5143
P2616
P4848
P6478
P3645
P4113
Atom HA of residue 25
ILE
Atom HD21 of residue 25
P2720
P3101
P2214
ListSingletonContainer242
P1613
P3829
P4226
P4485
P1634
P1495
P6011
P2024
P3072
P6506
P4552
P6323
P6225
P3747
ScoreState 14
P6940
P4095
P8483
P7055
P4943
P2230
P8382
P5841
P6841
P4232
P4491
P6912
P4654
P4818
P8052
P1423
P4328
P1947
P2687
P7963
Atom HB3 of residue 48
P7128
P6875
P5106
P9407
P1649
P3933
P3221
Atom HB2 of residue 28
P1462
ASN
P4676
P2750
P10764
P4514
P7561
Atom HB2 of residue 25
Atom HE22 of residue 2
P1980
Atom HA3 of residue 35
P7495
P2357
P6969
P7682
Atom OE2 of residue 64
P5891
Atom HB2 of residue 1
P2895
P3401
P6077
P6469
P1911
P3972
P6479
P7486
P3905
P12057
P7560
P4909
Atom OD1 of residue 27
Atom HZ1 of residue 29
P6695
P8290
P4066
P5144
P7829
P0
P9
P5891
P6079
P3911
P4882
P1571
P5705
P5349
P2359
P3372
P7813
P2636
P2231
P8376
P2778
P6567
P2756
Atom ND2 of residue 44
P1794
P7654
P1492
P4884
P6593
P3895
P4552
P6545
Atom HB3 of residue 39
P4967
P6889
P1489
P7954
P2115
P5143
P5234
P4476
P3140
P3971
Atom CA of residue 49
P6876
P6485
Atom O of residue 1
P2198
P2740
Atom H of residue 34
P6849
P8255
P7243
P6545
P3092
Atom CD2 of residue 50
P6226
P11476
P7035
P4124
P283
P6884
P1518
P12799
P7341
P3072
P2964
P3470
P2223
P2617
P5985
P3830
P3646
P4114
P6913
P5606
P1635
P1424
Atom OD1 of residue 25
P3102
P10053
P4227
P4486
P7748
Atom CA of residue 30
P6012
P3073
P9408
P4849
P4553
P6324
P3748
P6941
P2034
P4096
P8484
P7056
P7129
P5107
P1614
P4233
P4883
P4492
P4655
P4819
P2267
P2
P7683
P4329
Atom HD13 of residue 56
Atom CB of residue 1
P2688
P1912
P3934
P22
P3222
P4677
P2721
P2751
P6507
P4515
P4910
ARG
P7562
P353
P8256
P7964
P4938
P6970
P5842
P2215
P6080
P184
P1790
P5892
P7
Atom HB3 of residue 25
P2896
P6885
P3402
P6078
P2092
Atom CD of residue 37
P8053
P2326
P5144
Atom HB3 of residue 28
P7814
P8383
P7830
P3973
P10765
P6480
P3906
Atom H of residue 64
P4885
P7561
P1981
P6594
GLY
P1863
Atom N of residue 40
P2360
P6696
P8291
P1490
P7955
P5235
P1463
P4067
P5145
ListSingletonContainer256
P5892
P12058
P6486
P3912
P1493
Atom CG of residue 1
Atom ND2 of residue 27
Atom HZ2 of residue 29
P5350
P6850
P7244
P7496
P3373
P2637
Atom H of residue 50
P2779
P6568
P2757
P11477
P7036
P6470
Atom O of residue 53
P3896
P2224
P4553
P5986
P7487
P82
P2199
P1572
P5607
Atom HG12 of residue 13
P4477
P3141
P3972
P2025
P6877
P6842
P1948
P2741
P6013
P3093
P3831
P4125
P5706
P8485
P2965
P3471
P2618
P3647
P7655
P4115
P1
P8384
P2358
P3103
P6546
P1650
P10054
P4228
P4487
P4968
Atom HD21 of residue 56
P1519
P6890
Atom O of residue 35
P7342
P3074
P8377
P9409
P1615
P4554
P6325
P3749
P7749
P2268
P8194
P2093
P7057
P3073
Atom CB of residue 5
Atom CD2 of residue 4
Atom H of residue 53
P6547
Atom HB2 of residue 18
P2722
P5108
P6227
P4234
P4884
P4493
P4656
P1360
P4820
P12800
P7965
P7684
P5843
P4330
P2689
P8054
Atom N of residue 29
P2232
P7130
P6508
P3935
P10766
P1791
P3223
P4678
Covariance1DFunction 27
P2752
P4851
P4516
P6942
P4911
Atom CB of residue 19
P6697
P8292
P8257
P1491
P1425
P1464
Atom CG of residue 62
P4939
GeneralizedGuinierPorodFunction 19
P46
P12059
P6914
P2897
P6886
P3403
P6079
P2033
P1636
P7497
P5145
P3974
P6081
P3907
P1949
P6595
P6471
P7815
P6843
P6228
P7488
Atom OD1 of residue 25
P5236
Atom HB2 of residue 6
P4068
P1913
P7831
P7563
Atom HA of residue 64
P3913
Atom SD of residue 1
P5351
Atom HE22 of residue 40
P8197
P1982
P7956
P3374
P0
P2638
P2359
P6971
P2780
P6569
P2758
P11478
P7037
P5893
P5707
Atom HG13 of residue 13
P7245
P3897
Model 26
P4554
P2216
P6481
P7656
Atom CG of residue 19
P7562
P6851
Atom HG3 of residue 2
P4478
P3142
Atom CD of residue 62
P3973
P1651
P10055
P5987
P4969
P1361
P5608
P2742
P1520
P7343
P3094
P5147
P8378
P5893
P6326
P4126
P2269
P1359
P2966
P3472
P2619
P3648
Atom O of residue 44
P4116
P1494
P6915
P4838
P1186
P6891
Atom H of residue 35
P6014
P8385
P3104
P6547
P3832
P4229
P4488
P4886
P2200
P2361
Atom HB3 of residue 18
P4875
P3075
P6878
P5109
P4555
P3750
P6487
P7058
P3074
P2026
P6943
P4235
P4494
P4657
P12801
P1492
P0
Atom HA2 of residue 53
P1426
P2233
Atom CB of residue 31
ListSingletonContainer183
P4331
Atom HA of residue 6
P2107
P1637
P8055
P7966
P7131
P3936
P5917
P3224
Atom N of residue 41
P7498
P2225
P4679
P9410
P2753
P6844
P10767
P4517
P4912
P1510
P1187
P2094
P6229
P7564
Atom HB2 of residue 64
P4885
P1464
P2898
P3404
P6080
P8486
P8233
VAL
P6546
P6972
P7685
P3975
P1616
P0
P3908
P12060
P7750
P5894
P6698
P1360
P1914
P6482
P7489
Atom HA of residue 1
P7563
P1983
P6852
P2116
P5237
P4069
Atom HB3 of residue 50
P7832
Atom CD of residue 31
Atom CB of residue 44
P6488
P1950
P3914
Atom O of residue 2
P5352
P8198
P3375
P2639
P2027
P0
P2781
P5844
P2217
P6570
P4850
P5894
P2759
Atom CD of residue 19
P4887
P6887
P5147
P3898
P4555
P2723
P6509
P7657
P6596
P1188
P8258
P4479
P3143
P1
P3974
P6015
P2360
P6082
P4970
P2743
P8234
P7344
Atom OE1 of residue 62
P7816
P4876
P3095
P6879
P4127
P1495
P354
P8293
P2967
P3473
P2620
P1652
P10056
P3649
P11479
P7038
P4117
P6916
P2362
P1493
P6472
P7957
P2226
P3105
P11
P4230
P4489
P5708
P12802
Atom HB2 of residue 2
P7246
LYS
P4556
P3751
P8487
P7059
P1361
P3075
Atom HG2 of residue 18
P9411
P5988
P4518
P6944
P4913
P4236
P4495
P4658
P1362
P2201
P5609
P2270
P1189
P1467
P5146
P5845
P4332
P4886
P1465
P8235
P2117
Atom HG3 of residue 41
P6
P7686
P6510
P3937
P1511
P7751
P83
P3225
Atom C of residue 37
P6699
P6892
P4680
P1654
P2754
P1638
P5238
P8386
Atom HG of residue 50
P2724
P1617
P6845
P3833
P7565
P2899
P3405
P6081
P8294
Atom HA3 of residue 53
P6973
P5110
P3976
P3909
P5895
P6888
P1521
P2095
P6473
P8056
P2234
P7132
P6327
Atom HD13 of residue 8
Atom HG23 of residue 3
P1363
P7564
P6597
P8259
P7499
P7967
P4070
P2812
Atom OE1 of residue 31
P4852
P6489
P3915
P5353
Atom N of residue 17
P6853
P8238
P7345
P1429
P6543
P3376
P2640
P2782
P6571
P8
P5895
P6230
P10768
P2760
P4888
P3899
P4556
P10057
P11480
P7039
ListSingletonContainer557
P1951
P1
P4822
P1190
P1494
P4480
P3144
P3975
P4803
P2218
P6083
P7490
P12061
P2744
P7817
P6016
P3096
P1915
P7833
P4128
P7658
P2096
Atom HB2 of residue 73
P0
P2968
P3474
P2621
P3650
Atom HD23 of residue 15
P4118
P7958
Atom CA of residue 29
P2053
P3106
P3282
P6483
P4231
P4490
P1523
P5146
Atom HH11 of residue 42
Atom HE21 of residue 41
P2361
P4557
P6328
P3752
P7752
P4971
Atom HA of residue 1
P6917
ScoreState 22
P285
Model 317
P1984
P8488
P6893
P7060
P1468
P2227
P5148
P9412
P1655
P4854
P5989
P4519
P4237
P4496
P4659
P5610
P12803
P8239
P7247
P1435
P8387
P5846
P4333
P5709
GLN
Atom N of residue 54
P7687
P5111
P6511
P3938
Model 289
P24
P2202
P3226
P8057
P2235
P4681
P6880
P2755
P108
P1466
Atom HB2 of residue 37
P6700
Atom HA of residue 62
P6945
P2900
P3406
P6082
P2271
P4
VAL
P8295
P2812
P2028
P3977
P6231
P3910
P1496
Atom H of residue 1
P1204
P7500
P6474
P4877
P7133
P2725
P1656
P6484
P4823
P2363
P6598
Atom HA of residue 22
P7968
P2054
P4071
P2813
P4804
P6084
P3834
P7491
Atom HG3 of residue 64
P3916
P5896
Atom NE of residue 54
P5354
P1639
P3377
P7818
P2641
P1916
P2783
P6572
P10769
P2761
P4914
P7566
P7659
P1952
P4887
Atom HB3 of residue 73
P7346
P3900
P4557
P6974
ListSingletonContainer239
P6846
P11481
P7040
Atom HB2 of residue 6
P2097
P7959
P4481
P3145
P3976
P5149
P10058
P5896
P66
P12062
P1512
P1535
P7565
P2745
P3282
Atom HH12 of residue 42
P3097
P7834
P6881
P1618
P6490
P4129
P4972
P288
P2969
P5239
Atom CB of residue 37
P3475
Model 201
P2622
P5990
P3651
P4119
Atom HD23 of residue 43
P4890
P5611
P6889
P8490
P8237
P7248
THR
Atom HB of residue 22
P5148
P3107
P3283
P4232
P4491
P355
Atom HG3 of residue 1
P5710
Atom CA of residue 41
P1985
P4878
Atom HA of residue 50
P4558
P6329
P3753
P6918
P6894
P7061
P2118
Atom HA of residue 61
P4855
P4520
P4238
P1497
P4497
P4660
P1524
P12804
Model 142
P1430
Atom HB2 of residue 62
P6017
Atom CA of residue 31
P4334
P6946
P185
Atom CE of residue 11
P4888
P2364
P2228
P5112
P3939
P1364
P26
P3227
P1
P8262
P8058
P4682
P2324
P2756
P4915
P1193
P1500
P7969
P2035
P7134
P4805
ListSingletonContainer238
Atom N of residue 65
P7753
P84
P5897
Atom CZ of residue 54
P2901
P3407
P6083
Multivariate Normal distribution 37
P2813
P1465
P2364
P5847
P3978
P10770
P3911
P7567
P1467
P6890
Atom CA of residue 17
P7501
Atom HG12 of residue 61
P8388
P4558
P6975
P7688
P9413
P6512
P6232
P6485
Covariance1DFunction 78
P1640
P5240
P4072
P2236
P2814
P5897
P7492
P12063
P3917
P5355
P7566
P5149
Atom C of residue 29
P3378
P2642
P2784
P2726
P6573
P1620
P3835
P2762
P6491
P6701
P8491
P3901
P7835
P6847
P6085
P1513
Atom N of residue 44
Atom N of residue 38
P2272
P1194
P2098
P6475
P2119
P4482
P3146
P7819
P3977
Atom O of residue 66
P5150
ListSingletonContainer325
P7660
P2203
P2746
P6599
P3283
Atom NH2 of residue 42
P3098
P6882
P7041
P4130
P4973
P7960
P2970
Atom CE1 of residue 45
P3476
P2623
P3652
P4120
P1365
Atom C of residue 41
P7249
P3108
P3284
P11482
P4233
P4492
P4824
P7347
Atom HG1 of residue 22
P4879
P8389
P106
P4559
P5991
P3754
Atom HE1 of residue 1
P5612
P6895
P8263
P7062
P2031
Atom HB2 of residue 50
P10059
P4521
P4239
P4498
P4661
P5711
PRO
P1191
P8236
P1427
P2229
P6018
Atom OG1 of residue 66
P4806
P4335
P6947
P7754
P4889
P1917
P5848
P5113
P1653
P3940
P1498
P4889
P3228
P1525
P4683
P7689
P9414
P2757
P6513
P6330
P4916
P1953
P2365
P1986
P1496
Model 184
P2219
P4857
P1446
P1468
P2902
P3408
P6084
P12805
P2814
Atom O of residue 29
Atom HG13 of residue 61
GaussianProcessInterpolation21
P3979
Restraint 99
P3912
P7568
Atom CE of residue 1
P6919
SingletonConstraint 0
Atom HG of residue 73
P7970
P2032
P4559
P7135
P6976
P6848
P6086
P4152
P5898
P1192
P6476
P8059
P5241
P1466
P7820
P4073
P2815
P4807
P2727
P1621
P10771
P3918
P5356
P6891
P7567
P6600
P5150
Atom HH21 of residue 42
P3379
P2643
P2785
P6574
P6233
P3836
P2763
P7042
P4825
P2273
P6702
P8489
Atom CA of residue 21
P7961
P2322
P3902
P5898
P12064
P1366
P2204
P7250
P7502
P4483
P3147
P3978
P6486
P11483
P186
Atom HB3 of residue 64
P2747
P2099
P3284
Atom NE2 of residue 62
ARG
P2237
Atom HD11 of residue 13
P3099
P7836
P5992
P7493
P4131
P5613
P6896
P0
Atom CG1 of residue 13
P2971
P1428
P3477
P1918
P5151
P2624
P2220
P3653
Atom NH1 of residue 54
P8494
P6019
Atom CG2 of residue 66
P4808
P3109
P3285
P4234
P4493
P286
P7348
Atom HH22 of residue 42
P8390
P5114
P4560
P3755
P7661
Atom O of residue 41
P1641
P7063
P2365
P6883
P10060
P6331
P4522
P6492
Atom C of residue 44
P4974
P4499
P4662
Atom HD11 of residue 73
P4336
P1514
P25
P4891
Atom CA of residue 38
P1526
P1868
P0
P3941
P184
P7755
P1954
P3229
P1987
P7971
P4880
P4684
P7136
P7690
P9415
P2758
P1447
P4153
Atom NH2 of residue 54
P2366
Atom C of residue 21
P8060
Atom N of residue 1
P10772
P1499
P407
P2903
P5712
P3409
P6085
P12806
P8260
P8289
P2815
P3980
P6234
P3913
P6948
P4890
P6920
Atom CD of residue 24
P6703
P1195
Atom CB of residue 29
P4560
P12065
P6493
P1367
P2205
P7503
P4074
P2816
P6087
P6487
P4918
P3919
P5357
P6601
P3380
P7821
P2644
P2786
P6575
P6849
P2764
P7494
SingletonScore 19
P4826
P3903
P2369
P5152
P5849
P4856
P7569
Atom HG2 of residue 64
P1497
Atom O of residue 21
P7962
P5151
Atom HB2 of residue 37
P4484
P3148
P3979
P6977
P6514
P11484
P7043
P5899
P2274
P2748
P7349
P7251
P2120
P5243
P3285
P2230
P3100
Atom HG22 of residue 12
P7837
P87
P4132
P7662
Atom CB of residue 3
P4892
Atom OE1 of residue 24
P7568
P2972
Atom H of residue 62
P3478
Atom HD12 of residue 13
P6884
P2625
P10061
P1622
P5993
P3654
P85
Atom O of residue 44
P4975
P1368
P1469
P5614
Atom CG2 of residue 13
P3110
P3286
P5899
Model 89
P4235
P4494
P6893
Atom CB of residue 41
P1643
P6477
P1919
P4561
P3837
P3756
P1196
P7064
Atom N of residue 43
P4881
P6020
P2728
P4523
P1515
P4500
P4663
P8261
P2238
P2044
ListSingletonContainer185
P4337
P5713
Atom HD12 of residue 73
P5850
P3942
P6949
P4891
Atom H of residue 54
P3230
P12807
Atom H of residue 15
P4685
P4809
P2759
P6515
P4154
P1500
P8061
P7972
P2904
P2367
P3410
P6086
VAL
P2816
Atom HE22 of residue 41
P8391
P3981
P6850
P10773
P3914
P6954
P2121
P2221
P6494
P7570
P6897
P1498
P7504
P6478
Atom HG23 of residue 14
P5152
P4075
P2817
P6978
P7691
P9416
Atom CA of residue 1
P6332
P12066
Atom CG2 of residue 5
P7756
P1955
P3920
P5900
P5358
P6704
P3381
P2645
THR
P2787
P88
P6576
P2765
P7495
P1444
Atom HB2 of residue 8
P7569
P3904
P4561
P5115
P105
P8288
P4485
P3149
P2231
P3980
P5900
P1373
Atom OE2 of residue 24
P2206
P2749
P1522
P3286
P3101
P1623
P4133
P7663
P1470
P4893
P1988
P6602
P1197
P2973
P3479
P6021
Atom HA of residue 23
P2626
P4853
P6088
P6235
P3655
P4917
P4976
P5862
P4828
P7350
P7822
P2033
P3111
P3287
P4236
P4495
P4122
P2420
P7137
P2729
P10062
P4562
P6488
P3757
P11485
P7044
Atom OG1 of residue 9
GLN
P6898
P7065
P7963
P2239
Atom HG of residue 43
P4810
P7838
P2609
ListSingletonContainer187
P6333
P4524
P4892
P4501
P4664
P7252
P5242
P3180
P1920
P4338
P5714
P6892
P2275
P8392
P1827
P5153
P5851
P5116
P5994
P3943
P6950
Atom CA of residue 3
P5615
P3231
P1198
Atom HG13 of residue 23
P4686
P2222
P2760
P6516
P287
Atom HD13 of residue 73
Atom HB2 of residue 15
P1539
P2034
P6885
P7692
P9417
P3838
P2905
P3411
P6087
P6705
P12808
P2817
P1449
P3982
P185
P3915
LEU
Atom N of residue 42
Atom HD12 of residue 43
P6851
P7571
P1956
P408
P1989
P8380
P1499
P6479
P4882
P4076
P2818
P6979
P6489
P7757
P3921
P5901
P5863
P5359
P1644
P8062
P3382
P2646
P2788
P6577
P2766
Atom HA of residue 54
P1369
P7570
Atom CG of residue 41
P6603
P8290
P3905
P7973
Atom HG21 of residue 23
P4562
P20
P6236
P1516
ILE
P28
P4486
P3150
P3981
P5901
P10774
P6495
P2368
P2750
P7505
P3287
P3102
P10063
P11486
P7045
P4919
Atom H of residue 72
P4134
P1199
Atom HD21 of residue 73
P2974
P3480
P1828
P5154
P4811
P6886
P2610
P2627
P6089
P7496
P3656
P1445
P12067
Atom O of residue 24
P5244
P7823
P6022
P7138
P3112
P3288
P4237
P4496
P4123
P1501
P4894
P8241
P4563
P3758
P86
P2207
P6899
P7066
P7964
P5153
P1450
P2232
P4883
P1921
P6334
P4525
ListSingletonContainer558
P7664
P4893
P4502
P4665
Atom CA of residue 41
P7253
P1540
P3181
P4339
P4977
P1471
P12809
Model 413
P2240
P5117
P5995
P3944
P5616
P4827
P3232
P2421
Atom CA of residue 43
P4687
P2761
P1619
P3839
P1370
Atom CD of residue 41
Atom HB2 of residue 21
Atom HB3 of residue 27
UnaryFunction36
P7693
P9418
P1517
P7758
P5864
P2906
P6894
P3412
P6088
P1501
P2818
P8063
P7840
P3983
P45
P3916
P1387
Atom HB2 of residue 54
P5715
P6706
P1200
P8291
P2730
P5852
P6951
P2276
P2122
P4077
P8393
P2819
P7139
Atom HD13 of residue 43
P2053
P6517
P6490
P6496
Atom CB of residue 22
P3922
P5360
P7506
P3383
P2647
P2789
P6578
P2767
P4920
Atom HA of residue 72
P1645
P1990
P6604
P2056
P1378
P3906
Atom C of residue 43
P7974
P4563
P73
P6090
P7497
P2369
Atom HB3 of residue 21
Atom HG3 of residue 27
P5154
P5245
P4487
P3151
P7824
P3982
P2045
P2223
P6237
P10775
P7572
Atom CA of residue 44
P4895
P2751
P7351
P6480
P3288
P3103
P6980
P6852
P11487
P7046
P4135
P5902
P8379
P7965
P2975
P3481
P5155
P4812
P6887
P2675
P2628
P10064
P3657
P12068
P7665
P1502
P7571
P7254
P3113
P3289
P4238
P4497
P4124
P4978
P2233
P1829
P7839
P5902
P4564
P5996
P3759
P1388
P4894
P5617
P7067
P1379
P4884
P8394
ListSingletonContainer186
P4526
P1957
P4503
P4666
P1371
P1472
P3182
P4340
P6895
P4829
P1502
P2123
P1451
Atom CG2 of residue 23
P5316
P3945
P5716
P3233
P6023
P4688
P2731
P5853
P2054
P2762
P6952
P187
P6900
P1543
P6518
P6335
Atom HA of residue 16
P5865
P2208
P2907
P3413
P6089
Atom OE1 of residue 41
P2819
P8064
GLY
P2
P3984
P8242
P3840
P3917
P2277
P8292
P7975
P1518
P7759
Atom C of residue 41
P4078
P2820
P2224
P10776
P7498
P6497
P7573
P3923
P5361
P1201
P1503
P7507
P6481
P3384
P2648
P2241
P1922
P6981
P4821
P2790
P7694
P9419
P6579
P2768
P4921
P5903
P2422
P1380
P3907
Atom CD of residue 40
P4564
P2676
P12069
P7572
P5155
P4488
P3152
P3983
Restraint 62
P1831
P7140
ListSingletonContainer326
P1385
P1958
P2752
Atom N of residue 22
P1991
P6707
P12810
P8381
Atom HD2 of residue 27
P3289
P3104
Atom HA of residue 57
P5903
P6853
P6091
P6491
P4136
GLU
P7352
P2976
P5246
P3482
P2629
P6238
P3658
P7666
P1372
P6605
Atom HD22 of residue 73
Atom HD21 of residue 43
P3114
P3290
P5118
P4239
P4498
P4125
P4979
Atom HD12 of residue 8
P6896
P4830
P2129
P7966
P7825
P4565
P3760
P409
P7255
P7068
Atom HD11 of residue 44
P2046
P8395
P7841
P2677
P2217
P4527
P11488
P7047
P4504
P4667
P6901
P3183
P5157
P6888
P107
P6336
P5997
P4341
P1386
P5618
Atom O of residue 41
Model 162
Atom HB3 of residue 57
Atom O of residue 119
P10065
P3946
P5717
P3234
P1642
P7353
P1381
P1544
P6024
P4689
P2763
P6953
P7760
P4896
P2209
P2370
P1338
P1452
P4885
P6854
P2908
P3414
P6090
P2820
P1832
P7695
P9420
P3985
P3918
Atom HB2 of residue 16
Atom HB2 of residue 72
P4895
P2423
P8293
Atom OE1 of residue 40
P4813
P1505
Atom NE2 of residue 41
P4079
Atom HA of residue 16
P2821
P1923
P109
P8243
P5098
P6498
P7574
P87
P3924
P5362
P12811
P1202
P8382
Atom HG12 of residue 30
Atom CG2 of residue 55
P3385
Atom HD12 of residue 44
P7976
P2234
P2649
P6982
P2791
P6580
P6092
P2769
P6492
P4922
P1519
P5904
P5866
P8065
P3908
P4565
P2225
P6239
P10777
P1473
P7573
P2278
P1992
P6606
P4489
P3153
P3984
P7141
Atom HD22 of residue 43
P5854
P5119
Model 57
P1959
P2753
P6708
P7967
P3290
P3105
P6519
P5904
P3841
P7499
Atom HB3 of residue 72
P4137
P7508
P2977
P5247
P3483
P2630
P3659
P11489
P7048
Atom CA of residue 16
P1507
P3115
P6889
P3291
P40
P113
P5998
P4240
P1389
P12070
P4499
P4126
P4897
P5619
P4831
P2371
P5157
P2732
Atom HG of residue 57
P2218
P4566
P3761
Atom CD of residue 2
P7069
P6482
P6025
P2242
P2678
P4528
P188
Atom O of residue 18
P4505
P4668
P2235
P7826
P3184
P4886
P5855
P4342
P7667
P2424
P1203
P1354
P10066
P3947
P4896
P4980
P3235
P8294
P2124
P1453
P1317
P4690
P4814
Atom CB of residue 119
P2764
Atom H of residue 6
P6897
Atom H of residue 41
Atom HD23 of residue 73
Atom HA of residue 27
Atom HB2 of residue 16
P6520
P8244
P5099
P1390
P6499
P7761
P2909
P3415
P6091
Atom CB of residue 41
P7354
P2821
Atom H of residue 55
P7977
P1339
P7696
P9421
P3986
P3919
P4923
P1520
P5867
P2210
P8066
P8232
P8396
P5156
P10778
P186
P6493
P1474
P5718
P289
Atom HG13 of residue 30
P4080
P1833
P2822
P7842
P6954
P3925
P1506
P5363
P6709
P12812
P6902
P8383
P6483
P3386
P2650
P2792
P6581
P6337
P2770
P1960
Atom CB of residue 18
P1504
P7509
P3909
P5248
P3
P4566
P2733
P6093
Atom CE1 of residue 4
Atom HD23 of residue 56
P6607
P4490
P3154
P1545
Atom NH2 of residue 74
P3985
P5120
P7500
P2754
P1355
P3291
P3106
P7142
P7575
P4138
Atom O of residue 7
P2279
P7968
P2978
P3484
P8233
P6983
P2631
P3660
P11490
P7049
Atom HG2 of residue 72
P5905
P7256
P2125
P7827
P3116
P3292
P4241
P1391
P4500
P7668
P4127
P4898
P6898
P4832
P7574
P2243
P1924
P10067
P4567
P5999
P34
P3762
Atom HD13 of residue 3
P4981
P5620
P7070
P5905
P4529
P12071
P4506
P4669
P1374
P2372
P6903
Atom HA of residue 74
P3185
P5856
P8245
P6338
P6240
P3842
P5100
P4343
P410
P53
P7355
P6026
P2226
P3948
P4897
P3236
P1993
Atom NE2 of residue 40
P8397
P4691
P2765
P2323
P1722
P5719
P292
P5156
P7843
P6521
P6955
Atom C of residue 10
P2910
P3416
P6092
P2822
P2236
Model 265
P5158
P6890
P3987
P3920
P5868
Atom HD3 of residue 38
P2
P1505
P1761
Atom CA of residue 13
P8067
P7978
P4
P6494
P1475
Atom N of residue 57
P1274
P1352
P4081
P2823
Atom HD11 of residue 43
P5121
P10779
P1392
P2
P3926
P5364
P12813
P8384
P6484
P3387
P4887
P2793
P6582
P2219
P2771
P7576
P7510
P3910
P1546
Atom HD13 of residue 44
P4567
P6984
Atom CB of residue 57
P7697
P9422
P7762
P88
P5906
Atom OE1 of residue 18
P6710
P4491
P3155
P3986
P4816
P7501
P1503
Atom N of residue 67
P4833
P7575
P2755
P8295
P7356
P1454
P3292
P3107
P7143
P2734
P4139
P2211
P2321
P2979
P3485
P2570
P1830
P2632
P5906
P3661
P4530
P12072
P6500
P1353
Atom H of residue 40
P7828
P1925
P3117
P3293
P6241
P4242
P4924
Atom HA of residue 3
P4501
P7669
P4128
P1723
Atom C of residue 5
P1375
P6899
P2280
P6608
P1205
P7257
P6027
P4568
P6094
P3763
P4982
P7071
P2
Atom HB2 of residue 74
P7844
P6891
P3843
P1521
P4507
P4670
Atom HA of residue 41
P2425
P6904
P3186
P4888
P2244
P2227
P10068
P6339
P11491
P7050
P4344
Atom CB of residue 9
P7969
P5249
Atom HA of residue 55
P5159
P3949
P4898
P4900
P2373
P3237
Atom CG of residue 50
P5158
P4692
P2766
P6495
Atom HG3 of residue 72
P5720
P1994
Atom N of residue 45
P8246
P6000
P6956
P2911
P5621
P3417
P6093
P12814
P8385
P7258
P1762
P2823
P2237
P3988
P2220
P3921
P3
P8296
P1506
P7698
P2614
P9423
P1393
ASP
P6711
P1206
P4082
P2036
P2824
P5857
P5122
P5101
P6501
P3927
LEU
P5365
P3388
P8398
P2794
P6522
P6583
P2772
P4925
Atom HG22 of residue 3
P7577
P1476
P3911
Atom HB2 of residue 48
P4568
P7144
P6985
P187
P7763
P5907
P5869
P1349
P8068
P1455
P4492
P3156
P7829
P3987
P7576
Atom HB2 of residue 41
P2756
P6609
P3293
P7979
Atom HG of residue 20
P3108
P5417
P4140
Atom HG12 of residue 3
P6485
Atom HA of residue 16
Model 368
P2980
P5250
Atom HB of residue 55
P3486
P2633
P5907
P10780
P3662
P4531
P1394
P12073
P1522
P1504
P1
Model 318
Atom CA of residue 57
Atom CD1 of residue 50
P7511
P2735
P7845
P3118
P3294
P10069
P11492
P7051
P4243
P4502
P4129
Atom CA of residue 31
P2126
Atom HA of residue 40
P151
P4569
P6095
P6242
P7502
P3764
P4899
P7072
P5159
P6028
P4815
P6892
P5859
P2228
Model 290
Atom HD2 of residue 72
P1724
P4508
P4671
P2426
P7357
P3187
P4889
P8399
P8247
P4345
P1376
P2212
P2374
P7970
Atom HG2 of residue 48
Atom N of residue 21
P5160
P34
P5418
P3950
P3844
P7670
P6901
P3238
P4693
P2767
P4983
P4834
P1350
P2238
P7699
P6001
P5102
P2912
P5622
P3418
P6094
P6905
P0
P2824
PHE
Atom CB of residue 68
P3989
P6523
ListSingletonContainer210
P6340
P3922
ListSingletonContainer559
P1961
P290
P8298
P2037
P2615
P9424
P1395
P7764
P5870
P2281
P8069
P4083
P2245
P2825
P1926
P5123
P2221
P6502
P3928
P1477
P4899
P5721
P5366
P6712
P3389
Atom NE of residue 74
P8392
P2795
P6584
P2773
P6957
P4926
Atom HE1 of residue 1
P2427
P1995
P1207
P6486
P2127
P3912
P1547
P4569
P4532
P12074
P7512
P4493
P3157
P3988
P1333
P2757
P6610
P7259
Atom HB2 of residue 16
P3294
P7980
P7830
P3109
P7145
P6096
P6496
P7503
P4141
Atom HB3 of residue 41
Atom C of residue 57
P2981
P5251
P3487
P2736
P2634
P10781
P3663
P7578
Atom C of residue 31
P12815
P8386
P1351
Atom HG1 of residue 55
Atom HA of residue 12
P6986
P3119
P6893
P3295
Atom CG of residue 119
P11493
P7052
P4244
P4503
P4130
P5908
Atom CG of residue 2
P1377
Atom HG23 of residue 30
P4835
Atom CD2 of residue 50
P1763
P7971
P8200
P4817
ListSingletonContainer152
P10070
P4570
P3765
P7671
P7577
P7073
P5160
P1396
P1962
P4984
P4509
P4672
P2213
P7358
P3188
P8281
P8400
P122
P5908
P6002
P6243
P4346
Atom HG23 of residue 5
P5623
Atom CA of residue 39
P6906
P1456
Atom CG of residue 68
P1927
P5161
P2229
P6341
P3951
P89
P1725
Atom O of residue 67
P3239
P2038
ASP
P4694
P2768
P1208
P8300
P1548
P7846
Model 229
P5419
P2913
P5722
P3419
P6095
P2825
Atom HB2 of residue 40
P4890
P6029
P8393
P3990
P3923
P6958
P6503
Atom CB of residue 22
P2282
P7260
P5124
P6497
Atom CD of residue 2
P5871
P4901
P8070
Atom CA of residue 45
P4084
P2826
P123
P3929
P6
P5367
P6900
P1996
P12816
P8387
P3390
P7981
P2796
P7700
Atom OD1 of residue 119
ListSingletonContainer143
P6585
P8248
P3845
P2774
P189
P7765
Atom O of residue 57
P1764
P3913
P8282
P4570
P2222
P10782
P7579
P4900
P1411
P2375
P1209
P7513
P4494
P3158
P3989
P6987
P2616
P9425
P12075
P1523
P5909
P2758
Model 3
P3295
Atom HG22 of residue 55
P3110
P7146
P4818
P4
P5860
P7504
P5103
P4142
P1306
P7578
Atom HG3 of residue 34
P2982
P3488
P2239
P2246
Atom HB of residue 12
P2635
P6524
P3664
P4928
P6713
P7359
P2039
P3120
P3296
P5909
P6097
P6244
P4533
P4245
P4504
P4131
P0
Atom HG23 of residue 23
P4836
Atom HG2 of residue 41
P1457
P5162
P4571
ListSingletonContainer327
P3766
P1397
P7672
P2050
Atom CB of residue 67
P6611
P7261
P7074
P5161
P124
P4985
P4510
P4673
P1478
Atom C of residue 39
Atom H of residue 50
P6487
P5253
P7831
P3189
Atom ND1 of residue 68
P5422
P8249
P4347
P1726
P4891
P78
P4
P3952
P11494
P7053
P4901
P412
UnaryFunction25
P2214
P3240
P2283
Atom HB2 of residue 24
P7972
Atom NZ of residue 48
P4695
P3
P2769
P6003
P4902
P5624
P8199
Atom HG23 of residue 55
P1928
P7847
P10071
P5104
P29
P2914
P5723
P3420
P6096
P2428
P2826
P6030
Atom HG22 of residue 30
P2737
P3991
P6525
P5097
P3924
P6959
P1400
Atom HZ3 of residue 11
P1524
P7766
Atom HD12 of residue 3
P1
P2128
Atom HB3 of residue 40
Atom C of residue 45
P6498
P6902
SER
GLY
P4085
P8401
P2827
P7701
P9426
P3930
Atom CB of residue 31
P5368
P12817
P8388
P3391
P2797
P6586
P2223
P2775
P1307
Atom HD12 of residue 23
P6907
P8299
P6488
P3914
P8283
P4571
Atom HG22 of residue 3
Atom OD2 of residue 119
ListSingletonContainer182
P6342
P7580
Atom CB of residue 2
P4495
P3159
P7982
P3990
P6988
P2617
P2327
P6098
P4534
P5910
P5872
P291
P2376
Atom HG3 of residue 41
P2759
P1765
P8071
Restraint 382
P3296
P2240
P2247
P3111
P4819
P7173
P5861
P10783
P4143
P7579
P6612
P5162
P2983
P3489
P2636
P3665
P13059
P11495
P1327
P6714
Atom HG2 of residue 24
P3121
P3297
P5910
P5098
P3846
P4246
P4505
P4132
P1963
P1378
P4839
P7514
P5125
P73
P4572
P3767
P7054
P1308
P7360
P7075
DihedralSingletonScore9
P8394
P7147
P6004
P7505
P12076
Atom CG of residue 31
P4511
P4674
P5625
P2129
P8195
P7832
P3190
P8266
P4348
P1479
P1997
P6908
Atom HA of residue 50
P6031
P2738
P5420
P6343
P3953
P4927
P4902
P3241
Atom CD2 of residue 68
P4696
P2770
P6692
P7673
P4903
Atom CB of residue 42
P6903
P8402
P1929
P10072
P5105
P90
P4986
P2915
P3421
P6097
P2827
P7973
Atom N of residue 56
P2040
P3992
P6526
P6245
P3925
P1401
P190
P1210
P5252
P6894
P7767
P2284
P1551
P7983
P4086
P2828
Atom HA of residue 3
P5163
P7702
P9427
P3931
Atom OE1 of residue 2
P5873
P5369
Atom CA of residue 35
P8072
P3392
P0
P8395
P2798
P7848
P6587
P100
P10784
P2776
P1964
Atom HB of residue 5
P2215
P5724
P2429
Atom CG of residue 70
P6489
P3915
P4892
P0
P4572
P5126
P13060
P6960
P1727
P6715
P7262
Covariance1DFunction 13
P1458
P4496
P3160
P3991
P2618
P5421
P5099
P188
P6500
P4535
P1379
P2760
P7515
P3297
P3112
P4820
P5
P2230
P6099
P4144
Atom CA of residue 67
P1998
P6613
P12819
P8390
P7361
P2984
Atom HG2 of residue 40
P3490
P2637
P3847
P7506
P3666
P11496
P1766
P7833
P2248
P3122
P3298
P0
P4247
P6504
P7581
P4506
P4133
Atom HG3 of residue 24
P6989
P6895
P76
P2224
P4573
P3768
P7055
P5911
Atom CD of residue 31
Atom N of residue 39
P7076
P8284
Atom CE1 of residue 68
P7148
P12077
P7674
P4512
P4675
P2377
P7580
P8196
Atom O of residue 45
P3191
P10073
P99
P8250
P6005
P4349
P4929
Atom CD of residue 19
P4987
P5626
Atom HZ3 of residue 29
P6909
P7974
P5164
P5911
P6344
P6246
P3954
Atom NE2 of residue 2
P3242
P1211
P2041
P4697
P2771
ListSingletonContainer464
P4904
P6904
P8369
P4893
P6032
Atom CA of residue 16
P2231
P2916
P3422
P6098
P2828
P2130
P5163
P5254
P1459
P2241
P1930
P3993
P3926
P30
P5725
P2434
Atom N of residue 71
P1552
P6961
P6505
P4903
P1480
P4087
P2829
P1402
Atom HA of residue 19
P3932
P5874
P5370
P4837
Atom HE21 of residue 41
P8073
P3393
P7984
P8396
P4838
P2799
P7849
P6588
P2777
P5106
Atom CG of residue 24
P108
P1728
P3916
Atom HG3 of residue 40
Atom CB of residue 45
P8403
P4573
P5127
Atom O of residue 20
P6527
P10785
Atom N of residue 30
P7263
P1767
P4497
P3161
P3992
P5858
P2619
P5100
P7582
Atom C of residue 67
P2285
P2761
P7516
P3298
P3113
P6990
P2739
P7703
P9428
Model 99
P4145
P7768
P5912
GaussianProcessInterpolationRestraint 30
Atom HG12 of residue 23
P1999
P6716
Atom HB2 of residue 50
P2985
P3491
P8285
P1818
P2638
ListSingletonContainer243
P7507
P3667
P12078
P361
P0
P7581
P7362
P6490
Atom HG21 of residue 55
Atom N of residue 44
P7149
P3123
P3299
P8251
P4248
P4930
P4507
P4134
P2216
Atom C of residue 35
P6896
P5912
P4574
P3848
P3769
Atom CD2 of residue 15
P2378
P2430
P7077
P5164
P7834
P2042
P2225
P6499
P7675
P4513
P4676
P4905
P6614
P8370
Atom H of residue 24
P3192
P6033
P6100
P4536
P13061
P4350
P4988
P12818
P8389
P7975
P4108
P5255
P2242
P2249
P8404
P5165
P3955
P3243
Atom HE22 of residue 41
P1212
P7264
P4698
Atom C of residue 16
P2772
P10074
P6247
P11497
P5107
P7056
P4904
Atom H of residue 2
P6905
P1
P5423
P6506
P1454
P2917
P4869
P3423
P6099
P2829
P7850
P5339
P3994
P3927
Atom H of residue 15
P33
P1481
P5726
P6910
P4894
P2740
P6528
P6345
P6006
P6962
Restraint 12
P5627
P2131
P1460
P1549
P4088
P2830
P3933
Atom O of residue 31
AngleSingletonScore8
P5371
P3394
P2800
P7704
P9429
P6589
P2778
P1403
Atom HB2 of residue 19
P6717
Atom HB3 of residue 50
P3917
P4574
P13062
Atom OE1 of residue 24
P1965
P1391
P2000
P6491
P4498
P3162
Atom CG of residue 45
P3993
ILE
P2620
P8252
P5101
Atom O of residue 8
P7583
P2762
ILE
Atom O of residue 35
Atom CG2 of residue 9
P3299
P3114
P1931
P6991
P4146
P7769
P5913
P5875
Atom HE2 of residue 4
P8074
P2986
P3492
P7835
P2639
P3668
Atom CE of residue 6
P1335
P2217
P7582
P6615
P7985
P1819
P3124
P3300
P5129
P2232
P189
P4249
P4931
P4508
P4135
Atom CB of residue 22
P4870
P7976
P8397
Atom HZ1 of residue 29
P5913
P4575
P10786
P6501
P3770
P12079
P7078
P7517
P5165
P7150
P10075
P11498
P7057
P1729
P4514
P4677
GaussianProcessInterpolation62
P6906
P2286
P2431
P12820
P8391
P3193
P2043
Atom HA of residue 68
P7852
P6101
P7508
P4537
P4351
Atom HB3 of residue 2
GeneralizedGuinierPorodFunction 41
P7265
P4109
P5256
P8286
P6034
P8405
P5340
P75
P3956
P3244
P1213
GLY
P6911
P7363
P0
Atom HG13 of residue 13
P4699
P6897
P2773
P6346
P13064
P5108
P1455
Atom N of residue 42
P2243
P7676
P1966
P2918
P3424
P6100
P2314
P1768
P2830
P1550
P4822
Atom HZ3 of residue 29
P3995
P2226
P6248
P3849
P3928
P4989
P2132
P1397
P4895
P5167
P6007
P1380
P5628
P4089
P2250
P2831
P5102
P3934
P5372
Atom N of residue 15
P4871
P8367
P3395
P2801
P2741
P7705
P9430
P6590
P2779
P6507
P7770
P109
Atom HA of residue 15
P5876
P4906
P2379
P8075
P3918
P1461
P4575
Atom HG2 of residue 11
P5727
P6718
Atom HG of residue 50
P4499
P3163
P3994
P8287
P1932
P2621
P6963
ListSingletonContainer560
P4905
P1341
P2763
P3300
P3115
P8398
P5424
ListSingletonContainer452
P6502
P12080
P4147
P7518
P2987
P3493
Atom CE2 of residue 45
P2640
P2233
P3669
Atom C of residue 6
P6616
P12821
P6
P8392
P7986
P7836
Atom HB2 of residue 68
P3125
P3301
P6529
P8255
P6102
P1
P7509
P4250
P4933
P4509
Atom HB3 of residue 68
P4136
P310
P2432
Atom HB3 of residue 1
P7266
Restraint 81
P4576
P10787
P3771
P7584
P1730
P362
P1482
P2218
P2287
Atom CA of residue 71
P7079
P7977
P7151
P6992
P6898
P11499
P7058
P1398
P5914
P4515
P4678
P1398
P3194
Atom HG23 of residue 22
P10076
P4538
P4352
Atom O of residue 28
P7677
P7583
Atom NH2 of residue 42
Atom CA of residue 30
P1769
P6492
P4110
P5259
Atom HG21 of residue 13
P4823
P5341
P2227
P6249
P3957
P4990
P3245
P7364
P4896
P4700
P1820
P5128
P2774
P5914
P6008
P2049
P4906
Atom HE2 of residue 1
P1381
P4907
P5629
Atom N of residue 35
P5167
Atom N of residue 30
Atom O of residue 24
P1342
P31
P2919
P5728
P3425
P6101
Atom HB3 of residue 43
P2831
P3996
P5109
P3929
P8368
Atom ND2 of residue 25
P1462
P4097
P2244
P2251
P7851
ListSingletonContainer175
P6530
P1399
P6035
P4090
P2832
Atom N of residue 23
P6964
P4934
P6508
P3935
P5373
P4840
P5
P6493
Atom HD11 of residue 13
P3396
P4
P8406
P2802
P6591
P2780
Atom HD1 of residue 68
P1456
P5877
P293
P6907
P2381
P8076
P3919
P4576
P2
P13097
P1483
P6912
P4500
P3164
P7987
P3995
P8288
P2742
P2622
P8256
P6347
P2764
P1214
P2133
P3301
Atom CZ of residue 45
Atom CB of residue 44
P3116
P5166
P10788
P7585
P4148
P7519
P2988
P3494
P6993
P7706
P2641
P9431
P5425
P3850
P3670
P12081
P5915
P12822
Atom HG of residue 43
P8393
P3126
P3302
P96
P7510
P4251
P191
P4510
P4137
Atom HE3 of residue 1
P7584
Atom C of residue 71
P5260
Atom H of residue 25
ListSingletonContainer176
P4577
P3772
P7771
P6719
P7365
P7267
P7080
P2047
P5915
P5103
P6103
P4516
P4679
Atom C of residue 30
Restraint 42
P3195
P8399
P4539
P4353
P4935
P7678
Atom HB3 of residue 4
ARG
P2288
P6617
P8303
P4111
Atom H of residue 45
P1821
P5342
P5130
P2234
P3958
P5110
Atom CB of residue 28
P4991
P3246
P6913
P1399
LEU
P4098
P7837
P4701
P2775
P6348
ListSingletonContainer328
Atom HB3 of residue 41
P4907
P1382
P4908
P6908
Atom C of residue 24
P7152
P1933
P2228
P3
P11500
P7059
P2920
P5729
P4841
P3426
P6102
P2832
P7978
P2245
P8407
P3997
P6009
P6503
P13098
P3930
P1967
Atom NZ of residue 6
P5630
P2252
Atom NE2 of residue 68
P6531
P10077
P2001
P6036
P4091
P0
P2833
P6899
P90
P6965
P3936
P1457
Atom HB3 of residue 2
P2312
P5374
P6494
P2134
P3397
Atom CG1 of residue 44
ILE
P6592
P2781
P1731
P5166
P3920
Atom HD12 of residue 13
P4577
P8400
P4824
P2743
P7853
P7707
P9432
P6250
Atom HD2 of residue 68
P7772
P1215
Atom HA of residue 1
P8304
Atom HH21 of residue 54
P4501
P3165
P3996
P2048
P5168
Atom HE2 of residue 29
P2623
ListSingletonContainer343
P5104
P2765
P2433
P8501
P1770
P3302
P3117
Model 71
P3851
P7586
P4149
P1484
Atom N of residue 4
P2989
P3495
P7988
P6994
P3060
P2642
P6104
P3671
P5916
P5878
P12823
P8394
P8077
P4897
Atom O of residue 34
P3127
P3303
P10789
P6504
P4252
P4511
P4138
P92
P2
Atom C of residue 56
P7585
P6618
Atom HD11 of residue 43
P1934
P5343
P5131
P2235
P4578
P3773
P6509
Atom N of residue 2
P6720
P7081
Atom HA of residue 25
P6900
P2231
P5916
Atom HG2 of residue 41
P1968
P4517
P4680
Atom CD of residue 70
P7520
Atom CB of residue 24
P1465
P3196
P8289
P4540
P11501
P7060
P4354
P2382
P2002
P7366
P4112
P7854
P77
P6010
P3959
P7511
P12082
P5631
P3247
P1216
P6914
P7842
P3571
P2776
P5426
P6349
P4938
P1732
P1383
P6909
P8502
Atom HB2 of residue 1
Atom CA of residue 15
Atom HA of residue 45
P6037
Atom CG of residue 34
P7153
P4825
P2921
P4842
P3427
P6103
P7268
P2833
P7979
P1400
Chain A
Atom H of residue 68
P3998
P3931
P7773
P7679
P1771
P1
P4898
P4702
P10078
P8253
P6251
P4992
Atom HH22 of residue 54
P4092
Model 415
P2834
P5169
P6510
P3937
Atom CG2 of residue 12
P4908
P363
P4910
P5375
Atom HB3 of residue 1
P2289
P0
P5168
P3398
P6593
P2782
P5111
P2219
Atom O of residue 56
P3921
P7989
P4578
P8401
P1828
P7708
P9433
P82
Atom CG of residue 24
P5879
P12824
P8395
P8305
P8078
P4502
P3166
Atom HB2 of residue 45
P7838
P3997
P2049
P8408
Atom HG1 of residue 22
P2624
P6532
P5105
P10790
P192
P5730
P2766
P3303
P3118
P102
P6966
Atom HE1 of residue 68
P4150
P1485
P6721
P6495
P2990
P3496
P2643
P3672
Atom CA of residue 2
P32
P2435
Atom ND2 of residue 113
P7521
P5257
P2246
P8290
P3128
P3304
P6105
P3852
P6505
P4253
P4512
P4139
Atom OE2 of residue 51
P294
P2383
P6619
P7367
P2
Atom CA of residue 44
P5132
P2232
P4579
P190
P7512
P3774
P4939
Atom C of residue 1
P7082
P2135
P1466
P6901
Linear1DFunction 17
P7587
P4518
P4681
P1384
P2050
P3197
P2253
Atom CD of residue 34
P1935
P6995
P4541
P11502
P7061
P4355
P5917
P1458
P2220
Atom HG22 of residue 30
P7980
Restraint 20
P4113
P7154
P2744
P7855
P3960
P13065
P12083
P7680
Atom OE1 of residue 24
P7586
P3248
P1217
Atom HD21 of residue 43
ILE
P8409
P2236
P2777
P10079
P6011
P4993
P5632
P8503
P1401
P4826
P5428
P5917
P4909
P2922
P4843
P3428
P6104
P7269
P2834
P5169
P7839
Atom CB of residue 12
P3061
P3999
P5112
P3932
P1733
Atom N of residue 114
Atom HB2 of residue 25
P4899
P4703
P17
P8254
P1486
P6915
P4093
P2835
P5170
P6533
P6350
P6252
Restraint 113
P6511
P3938
P5731
P5376
P6911
P7
P1772
P3399
P6038
P2052
P6594
P74
P2783
P6967
P4936
Atom N of residue 69
P6496
P3922
Atom HB3 of residue 45
Atom C of residue 44
P4579
P5344
P5880
Atom HA of residue 40
P8079
P4503
P3167
P7990
P3998
P2625
Atom H of residue 51
P2767
P3304
Atom HD22 of residue 15
P3119
P6996
P10791
P4151
P2136
P2991
P3497
P2247
P2644
P18
P5107
P3673
P7588
Atom O of residue 5
P4909
P2290
P7522
P5258
P2254
P3129
P3305
P7709
P9434
P5435
P4254
P4513
P4140
P93
P5918
P1459
P6722
P1827
P5133
P4580
P7513
P3775
P13066
P4937
P12084
Atom HA of residue 24
P7587
P2003
Atom HD22 of residue 43
P7368
P7083
P8402
P6506
P4519
P4682
P2384
P8306
P3198
P2745
P5918
P4542
P4356
P7774
P4844
P7270
P4114
P7840
P5345
P3961
P3853
P7681
Atom HG of residue 8
P3249
P6620
P12825
Atom HB3 of residue 40
P8396
Atom HB3 of residue 25
P8291
P8410
P19
P2778
P6106
P1326
Atom HA of residue 41
P1969
P4994
P6916
Atom N of residue 55
GLU
P7981
Atom OG1 of residue 12
P7155
P6902
P7718
P6351
P2923
P3429
P6105
P2835
P5170
P1936
P4000
P10080
P8257
P11503
P5113
P3933
P7062
P4704
P7856
ARG
P2894
GeneralizedGuinierPorodFunction 54
P4094
P2836
P5171
P2237
P3939
P1734
P5732
Atom CB of residue 56
P5377
P2436
P1
P3400
P4828
Atom N of residue 18
P6595
P6012
P2784
P6968
P5633
P6497
P3923
P1463
P4240
P4580
P104
P6253
Atom HG of residue 15
P364
P2004
P8504
P1314
P1773
P4504
P3168
P3999
P4900
P6039
P2626
P9435
P1385
P2221
Model 319
P2768
P6723
P3305
P8292
P3120
P6997
P3062
GaussianProcessInterpolation11
Linear1DFunction 36
P5134
P5427
P13067
P4932
P6512
P4152
P4910
P4911
P2291
P2992
P1402
P3498
P2255
Atom O of residue 44
P8403
P2645
P6507
P3674
P7589
P6910
P12826
P8397
P8307
GLU
P3130
P3306
P8258
P4543
P4255
P4514
P7775
P4141
P1970
P5919
P5881
Atom HB3 of residue 24
P2380
P8080
P2137
P6534
P4581
P3776
P7588
P6621
P7084
Atom CB of residue 12
Model 27
P7991
P8297
P7710
P1460
P4520
P4683
THR
P7982
P3199
P6903
P5919
P10792
P4357
P12085
P6917
P7523
P4115
P2248
P1829
P5346
P10081
P2236
P3962
P191
P11504
P7063
P3250
P7841
P7857
P2779
P6107
P7514
Atom HA of residue 51
P1386
P1487
Atom HG2 of residue 40
P7271
Atom HD1 of residue 45
P7156
P1937
P5172
P5106
Atom HB2 of residue 41
P4911
P1735
P2924
GLN
P1832
P3430
P6106
P7369
P2836
P5171
P2895
P4001
P5114
P3934
Atom CA of residue 69
P4705
P6254
P7682
Atom CD1 of residue 56
P295
P8505
P4901
P6040
P4095
P2837
PairPredicate 2
P6535
P3940
P4995
Atom CB of residue 24
P2222
P5378
P3401
P3063
P2746
P6596
P6013
P2785
P6513
P4912
P5634
P2316
P1774
P6498
P3924
P1464
P4241
P8411
P4581
P5429
P3854
P4505
P3169
P4000
P2627
P9436
P2237
P7776
Atom HD11 of residue 15
P5882
P2769
P8081
Atom CD of residue 49
P3306
P8293
P3121
P6352
P4153
P132
P5733
P6912
P4845
P6724
P1571
Atom OG1 of residue 12
P2993
Atom NZ of residue 33
P3499
P2646
P2238
P3675
P6969
P6622
P12827
Atom CA of residue 114
P8398
P1403
P4827
P3131
P3307
P8259
P4544
P4256
P12086
P4515
P4142
P1488
Atom HG2 of residue 1
P2292
P3
P7524
P2249
P2256
Atom HB3 of residue 42
P1830
P4582
P3777
P13068
Atom CG2 of residue 9
P2437
P7085
Atom N of residue 26
P7992
P7711
Atom N of residue 15
P6108
Restraint 105
P7515
ListSingletonContainer561
Atom C of residue 69
P4521
P4684
P7272
P2138
Atom HD2 of residue 45
P3200
P1
P5108
P10793
P4358
P7590
P1833
P6918
Atom O of residue 61
P7983
P4116
P5172
P8404
P6998
P3963
P11505
P5115
P7064
P5920
P1461
Atom HB2 of residue 51
P3251
Atom HD12 of residue 43
P8308
Atom H of residue 33
P2780
P10082
P7683
P1387
P7589
P8232
P5135
P6353
P4912
P4996
P2925
P4846
P3431
P6107
P7370
P2837
P2896
P2747
P4002
P5920
P6014
P3935
P5635
P5099
P6499
P8412
Model 247
P4706
P5347
P5430
P3855
P6508
P94
Atom OE1 of residue 24
Atom CA of residue 36
P6041
P4096
P2838
ListSingletonContainer155
P6536
P3941
P5379
Atom OE1 of residue 49
P3402
P7157
P3064
P6904
P6597
P2786
P1971
P4913
P5734
ScoreState 30
P6913
P0
P3925
P4242
P4582
P6970
Atom CA of residue 14
Atom HG3 of residue 40
1G6J_MODEL1.pdb
P4506
P3170
P4001
P8405
P8233
P7858
P2628
Atom NZ of residue 48
P5883
P2770
P2005
P1572
Atom HA of residue 20
P8309
P8082
P3307
Atom HG2 of residue 42
P3122
P5262
P2239
ListSingletonContainer184
P13069
P4154
Atom O of residue 62
P8506
Atom C of residue 114
P2994
VAL
P3500
P7993
P1938
P5173
P4829
P2647
P3676
P1489
Atom O of residue 55
P3132
P3308
P6255
P10794
P4545
P4257
P7591
P4516
P4143
SingletonModifier 1
P7525
P4902
P6999
P0
P5136
P9437
P4583
P6509
P3778
P12087
Atom O of residue 69
P1736
P5921
P1462
P2223
P7086
P2139
P2
P2339
P5109
P7516
P6514
P7777
Atom H of residue 9
P4522
P4685
P7590
P6919
Atom HB3 of residue 37
P2250
P3201
P8234
P6905
Atom CA of residue 15
P4359
Atom HZ2 of residue 27
Atom CD2 of residue 56
Model 122
P6725
P6623
P12829
P8400
P7371
P7273
P1775
Atom C of residue 36
P4117
Atom HA of residue 33
P8294
P5921
P6109
P3964
P365
P4847
P3252
P2438
P5100
P1404
P7712
P5348
P2781
P5431
P193
P7684
P1972
P1834
Atom HD13 of residue 43
P6042
P8194
P103
P8260
P6354
P11506
Model 291
P4997
P2926
P3432
P6108
P2293
P8507
P2838
P2897
P2257
P4003
P2238
P3936
P2006
P7843
P4707
P173
P7065
Atom HE21 of residue 40
Atom O of residue 60
P7984
P4903
P2839
P5174
P2748
P7859
P6015
ListSingletonContainer329
Atom H of residue 48
P3942
P2130
P5380
Atom HB2 of residue 20
Atom CB of residue 55
P3403
P7158
P3065
P10083
P6598
P3856
P2787
P6515
P4913
Atom C of residue 14
P4914
P5735
P296
P6914
P3926
P1405
P4243
P4583
P4830
P9438
P6971
Atom H of residue 56
P5636
P5173
P4507
P3171
P2252
P4002
P8406
P2629
P5263
P7778
Atom CB of residue 62
P2771
P8310
P3308
P8413
P3123
P1939
P6537
P4155
P1737
P2224
P2995
P3501
P8197
P1419
P2648
P6256
P3677
P5116
P4523
Atom HB3 of residue 51
P2439
P3133
P3309
P2240
P4258
P7592
P4517
P4144
Atom HZ3 of residue 27
Restraint 139
P1573
P6500
P7994
P8295
P7000
P5137
P4584
P6110
P6510
P3779
P5922
Atom CG of residue 6
P5884
Atom HD2 of residue 4
P7087
P8083
P5110
P10795
P4686
P131
P7591
P6624
P1776
Atom CB of residue 36
P3202
Atom HB3 of residue 73
P6906
P8261
P4546
P11507
P4360
P6726
P4118
Atom HG2 of residue 37
Atom HB3 of residue 50
P7713
P64
P5922
P3965
P3253
P7526
P2253
P70
P2782
P13070
P7066
P1461
Model 417
P8414
P7860
P2239
P6016
P7517
P12088
P1388
P2927
P3433
P6109
P2049
P8508
P1574
P2839
P5174
Atom NE2 of residue 49
P2898
P6043
P1853
P4004
P5117
P3937
ListSingletonContainer8
LEU
P4914
Atom HG2 of residue 51
P4915
P1835
P7372
P4708
P7159
ASP
P4848
P12828
Covariance1DFunction 93
P8399
P7274
P7985
Atom HD21 of residue 25
P1406
P7844
P4904
P2840
P5175
Atom HD11 of residue 73
P7685
P1973
P3943
P5381
Atom CB of residue 60
P2140
Atom HB2 of residue 33
P3404
Atom HD11 of residue 50
Atom HG3 of residue 42
P3066
P6538
P6599
P6355
P2788
P6516
P95
P4998
P6915
P6922
Atom OG1 of residue 55
P6501
P3927
P4244
P4584
P4831
P9439
P1463
Atom CD of residue 6
Atom CD1 of residue 3
P2294
P4508
P3172
P4003
P2258
P5349
P2630
P5432
P10084
Atom HA of residue 56
P2772
P2440
Atom CG of residue 114
P5101
P3309
P1692
P7995
P3124
P1420
P2749
P4156
P5885
P5637
P8084
P2996
P3502
P8198
P2649
P3678
P4524
P5736
P1
P3134
P3310
P6972
P4259
P4518
P4145
P2225
P6727
P4585
P3780
Atom HB2 of residue 40
Atom H of residue 4
P7088
P7527
P5111
P6111
P13073
P194
Atom HA of residue 48
P4687
P1462
P6625
P3203
P8407
P1940
P3857
P7518
P4547
P11508
P4361
P1412
Atom CG of residue 62
P6917
P8311
P4119
P7714
P5264
P110
P3966
P7593
Atom HA of residue 3
P3254
P1575
Atom HD2 of residue 42
P7001
P5350
P5139
P2783
P192
P6511
P5118
P7067
P5923
P7986
Atom H of residue 49
P8296
P8415
P1854
P2241
P2240
P12089
P7686
P366
P2928
P1836
P7592
P3434
P6110
P2840
P5175
P2899
Atom HB3 of residue 33
P6907
P4005
P6356
P6017
P3938
P7779
P1740
P4999
P4849
P12830
P6923
P5102
P8401
P4709
Atom HD12 of residue 73
P8262
P5923
P6258
P10796
P1464
Atom CA of residue 10
Atom HG3 of residue 51
P5638
P2007
P7275
Atom CA of residue 55
Atom CG1 of residue 36
P2141
Atom HD12 of residue 50
P2841
P7861
P5433
P10085
P3944
P5382
Atom CD of residue 114
P7373
P1777
Atom HD22 of residue 25
P3405
P7160
P3067
P6600
P2789
Atom HB of residue 3
P2295
P6502
P3928
Atom HG13 of residue 3
P2259
P4245
P4585
P4832
P1974
Model 107
P5737
Atom HD21 of residue 71
P4509
P3173
P1693
P4004
P6044
P2750
P2631
P5265
P6973
Atom HE3 of residue 27
P2773
P8509
P3310
P4905
P3125
P5177
P4157
P5886
P1389
Atom CD of residue 62
P8085
P2997
P3503
P7996
P8297
P2650
P5112
P3679
P6517
P4915
P4525
P7845
P1316
P8408
P3135
P3311
P2
P4260
P4519
P4146
P4916
P8312
Atom OG of residue 60
P0
ListSingletonContainer248
P8263
P4586
P10797
P3781
P7594
Atom HB2 of residue 48
P7089
P7528
P1407
P7002
P9440
P6539
P3858
P6512
P13074
P5924
P4688
Atom CB of residue 21
P3204
P8258
P7519
P4548
P4362
P12090
P7780
Atom CG of residue 56
P297
P7593
P2008
P4120
P6908
P3967
Atom HD13 of residue 36
P3255
P12831
LYS
P8402
P1421
P1941
P5351
P2784
P5924
Atom HD13 of residue 13
P7276
Atom CG2 of residue 36
P7862
P5434
Atom HA2 of residue 47
P7687
P1741
P2929
P3435
P6111
P6728
P6626
Atom HD22 of residue 71
P7374
P1778
P2841
P2900
P4006
P6112
P3939
P4916
P5000
P6924
P5103
Atom C of residue 55
P7987
P8298
P4710
P4833
P7715
P2226
P0
P2441
P1576
P6503
P2842
P10086
P11509
P5119
P7068
P3945
P5383
Atom CB of residue 33
P8510
P3406
P4906
P7161
P3068
P5138
P6540
P6601
P2790
P1975
Atom N of residue 16
P1390
P4917
Atom CG of residue 21
Atom N of residue 61
P5177
P3929
P4246
P4586
P8259
P6518
Atom HA of residue 38
P5738
Atom HG1 of residue 9
P4510
P3174
P4005
P6045
P8416
P2632
P5266
P6018
P6974
P2296
P2774
P3311
P7846
P2260
P3126
P2242
P6257
P4158
Atom HZ1 of residue 27
P1463
P2142
P2998
P3504
P1855
P9441
P6357
P3680
PRO
P4526
Atom OE1 of residue 62
P4850
Atom CA of residue 33
Atom H of residue 50
P3136
P3312
P4549
P4261
P4520
P7781
P4147
P1465
Atom HA of residue 59
P5639
P6918
Atom O of residue 114
Atom HA of residue 49
Atom HE of residue 54
P1408
P2251
Atom H of residue 73
Atom CA of residue 7
P8264
P4587
P10798
P3859
P3782
P7595
Atom HA3 of residue 47
P1392
P6729
P1332
P6920
P7090
P8299
P1422
P7003
P5925
P13075
P5925
Atom HD11 of residue 8
Atom HB3 of residue 38
P5887
P4689
P2315
P8086
P3205
P5176
P2751
P4363
P96
Atom HA of residue 9
P7594
P6627
P4121
P7997
Atom HD3 of residue 42
Model 58
P3968
Atom N of residue 14
P3256
P12832
P8403
P7988
P8409
P7716
P2785
P12091
P1577
P8313
P7529
P1694
P10087
P11510
P5120
P7069
P1466
P1464
P2930
P4
P3436
P6112
P7375
P2842
P2901
P4007
P5113
P6113
P6358
P4
P7520
P3940
P4917
GLU
P2227
P4851
P7277
P4711
ListSingletonContainer119
P193
P1779
Atom HB2 of residue 49
P6046
P8417
P2843
P5352
P5140
P6513
P3946
P5001
P67
P5384
P3407
P7847
P3069
P6541
P6602
P2791
P7688
P4918
Atom HB2 of residue 59
Atom CG of residue 33
P3930
P4247
P4587
P1942
P8260
P6909
Atom HB3 of residue 48
P5105
Atom HG21 of residue 23
P4511
P3175
Atom HA of residue 58
P4006
P2633
P2243
P6019
P2775
P2442
P6730
P8087
Atom HD2 of residue 11
Atom HH11 of residue 54
P3312
P3127
P8410
P1856
P7863
P4159
Atom H of residue 53
P5640
Atom C of residue 33
P8314
Atom C of residue 17
P2999
P3505
P7162
P9442
P3681
P13076
P367
P4527
P5888
Atom HA of residue 62
P8511
Atom CB of residue 114
P2143
P3137
P3313
P4550
Atom CD of residue 37
P4262
P4521
P4148
P1738
P5739
P5176
P1695
Atom HE of residue 42
P4834
P5267
P4588
P6259
P3783
P6975
P7782
Atom HG2 of residue 38
P6921
P7091
P4907
P5178
P5114
P6514
P12092
P1978
P4690
P6919
P7530
Atom HB3 of residue 58
P3206
P5436
P3860
P4364
P6519
P7596
Atom C of residue 23
P6628
P7376
P4122
P7998
P2261
Atom HD13 of residue 15
P1423
P2752
P6910
P6114
P3969
P7521
Atom HG2 of residue 48
Atom HB of residue 9
P2052
P3257
P2011
P12833
P8404
P7278
Atom O of residue 36
P4
P8302
P7717
P2786
P6359
P10799
P298
P2319
Atom HD23 of residue 71
P7989
P7004
P5353
P5141
P113
ScoreState 5
P11511
P5121
P7070
P5926
P5002
P1467
P1393
P2228
P2931
P3437
P6113
P2843
P6686
P2902
P4008
P10088
P8265
P5926
P3941
ListSingletonContainer562
P7689
P4852
P7595
P8512
P1578
P4712
P7
Atom CA of residue 16
P1465
P4512
P2844
P177
P6020
Atom N of residue 48
P3947
P5385
Atom HB3 of residue 49
P3408
P4908
P3070
P7864
HIS
P6603
P2792
Atom HA2 of residue 53
P1393
P1780
P3931
Atom N of residue 63
P6047
P4248
P4588
P4835
Atom CA of residue 37
P6520
P4918
Atom HB3 of residue 59
Atom HB2 of residue 62
Atom N of residue 72
P3176
P4007
P1943
P2634
P4522
P5740
P2776
P8088
P3313
P3128
P8411
P5268
P111
P8267
P5927
P6260
P6976
P4160
P1739
Atom O of residue 80
P8315
P3000
P3506
P8418
P7163
P5179
P2244
P6542
P3682
P4528
P5889
P4920
P5862
Atom O of residue 17
P5178
P3138
P3314
P4551
P4263
P7597
P4149
P5641
P7999
P4589
P3784
P0
P12834
P5104
P8405
P7092
P6504
P1325
Atom N of residue 59
Atom CB of residue 73
P8303
P8261
P5115
P6515
P4691
P7596
P7531
Atom HG3 of residue 1
P1696
P3207
P1857
P7005
P9443
P3
P4365
P12093
P1979
P5927
P1394
P2443
P2012
P4123
Atom HH12 of residue 54
Atom CD2 of residue 28
P6911
P5437
P3970
P7522
P3258
Atom O of residue 33
P7377
Atom HD21 of residue 15
P2787
P6544
P11063
Atom HG3 of residue 48
P97
Atom CD of residue 33
P7279
P1424
P5142
Atom CB of residue 21
P6115
P5122
P7783
P2932
P3438
P6114
P2297
P8242
P2844
P2144
bonded
P2903
P7848
P2753
P7865
P4009
P3942
P7690
Atom HA of residue 61
P8513
P6629
P6048
P4713
P13071
LYS
P4919
P5003
P1468
P2229
P6731
Atom SG of residue 80
P4513
P2262
P8421
P2845
P1944
P6360
P3948
Atom HA3 of residue 53
Atom HG1 of residue 9
Atom CG of residue 38
P1394
Atom N of residue 23
P5386
P5863
P1781
P6505
Atom HH22 of residue 54
P3409
P4909
P3071
P6604
P6261
P2793
P11512
Atom C of residue 37
P7071
P195
P1466
P5642
ARG
Atom N of residue 14
P7990
P3932
P4249
P4589
P4836
P6021
P4017
P6521
P4853
P5179
P1343
P3177
P4008
P7164
P2635
P10089
P4523
P5741
P2777
P3314
P7849
P3129
P5354
P8268
P5928
ListSingletonContainer330
P6977
P4161
Atom HD1 of residue 59
P3001
P3507
P5180
P8262
P7719
P44
P3683
P4529
P6916
P2298
P8243
P3139
P3315
P9444
P10800
Atom CD of residue 7
P4264
P4150
P5928
P5106
P4590
P6262
P3785
P4552
Atom HH22 of residue 72
P368
Atom HG22 of residue 30
Atom CB of residue 33
Atom HG3 of residue 72
P7093
ASP
LYS
P1858
ListSingletonContainer118
P7598
P4692
Atom CE of residue 33
P7597
P1344
P8000
Atom CG of residue 73
P3208
P7006
P6116
P5123
P4366
P5890
P8089
P2145
P4124
VAL
P8412
P1836
P3971
Atom SD of residue 1
P4919
P1326
P3180
P3259
P2444
P6630
P8316
P1697
Atom NE1 of residue 28
P5269
P2245
P2788
P6545
Atom CG of residue 21
P2102
P6732
P2754
P5355
P5143
P5117
Covariance1DFunction 53
P6516
P7784
P2933
P3439
P6115
P5864
P2845
P7532
P2904
P1425
P4010
P11513
P3943
P7072
P1469
P8516
P6506
TYR
P3077
P2263
P4714
P6912
P6361
P6022
P7523
P13072
P12094
P1976
P4854
P4514
P8368
P6049
P8422
P2846
Atom CA of residue 6
P3949
Atom N of residue 15
Atom O of residue 13
P5387
P5862
Atom O of residue 14
P12835
P1450
P8406
P7378
P0
P3410
P7850
P3072
P7866
P5438
P6605
P5929
P2794
Atom HB of residue 12
P5107
P7280
Atom HG3 of residue 64
P7991
P3933
Atom N of residue 55
P4250
P4590
P4839
P8300
P7691
Atom N of residue 54
Atom HG21 of residue 9
P8244
P5180
P3178
P4009
P2636
Atom CA of residue 35
P10090
P10801
P3861
P4524
P5004
P2778
P3315
ILE
P3130
P5270
ListSingletonContainer188
P6263
P4162
Atom HG23 of residue 30
P299
Atom HD2 of residue 72
P3002
P3508
P4910
P7165
P5181
P3684
P4530
Atom NE2 of residue 62
P2445
Atom HD2 of residue 4
P3140
P3316
P7720
P9445
P4265
P6522
P4151
P4920
P5891
P2009
P8090
Atom CA of residue 32
P8413
P1837
P4591
P3786
P4553
P5742
Atom CA of residue 72
P8317
P7094
P6978
P4693
Atom HE1 of residue 59
P5643
P6733
P1782
P3209
P5144
P6517
P4367
Atom CA of residue 48
P7785
P1395
P4921
Atom CG of residue 2
P8209
Atom N of residue 65
P7533
P4125
Atom HG21 of residue 17
P1698
P8369
P8263
P6117
P3972
P1541
Atom HD13 of residue 30
P5863
P3181
P3260
P8517
P6631
P12836
P8407
Atom CA of residue 63
Atom CA of residue 59
Atom O of residue 26
P6913
P2789
P3862
P7524
P5929
Atom N of residue 81
P2146
P5356
P7599
P2934
P3440
P6116
P5865
P2846
P2905
P7007
P7867
P4011
P5439
P11514
P3944
P7073
P196
P35
P7992
P3078
Atom NE of residue 21
P4715
P12095
P7692
ARG
P4921
Atom HZ1 of residue 11
P5644
P7598
P2299
P1451
P1330
P4515
P8001
P2847
P1859
P174
P6547
P10091
Atom C of residue 32
P6023
P194
P3950
P5005
P5388
P7379
P3411
Atom C of residue 44
P2246
P6606
P2795
P1977
LEU
Atom CB of residue 13
P2010
P5108
P7281
P3934
P7851
P4911
P4251
P4591
P5182
P8301
P5116
P13318
P5124
Atom N of residue 37
Atom HG1 of residue 12
P5930
P1
P4531
P6507
P5181
P1
P3179
P4010
P2264
Model 230
P8264
P2637
P5930
P10802
P6523
P4525
P2779
P3316
P8424
P3131
P3073
P5271
Atom C of residue 48
P4163
P98
P1396
P5743
Atom HD11 of residue 3
P8210
SER
P3003
P3509
P6050
P7166
P116
P3685
P6979
DihedralSingletonScore8
P1467
Atom HB3 of residue 4
P1311
P1426
P2755
P3141
P3317
P6362
P4266
P4216
P5892
Atom CA of residue 82
P36
P4922
Atom H of residue 62
P4855
Atom C of residue 72
P8091
P8370
P4592
P6264
P3787
P4554
Atom N of residue 31
P5864
P1601
Model 340
P7095
THR
P8002
Atom CG2 of residue 7
P4694
P2230
Atom HG22 of residue 17
P3210
ListSingletonContainer148
P4368
P7600
P1783
P7534
P4126
Atom C of residue 63
Atom O of residue 61
P7008
P7721
P9446
P5440
P3973
P3182
P3261
P8518
P12837
P8408
SER
P4837
P2790
GaussianProcessInterpolation37
P7525
P12096
P7786
P7599
P8240
P8414
P1860
Atom NH1 of residue 14
ASP
P2935
P3441
P6117
P8318
P7380
P2847
P2906
P4012
P3945
Atom CD of residue 74
P2300
P6734
P7282
P2147
P3079
P4716
P5413
P6363
P13319
P5125
P7693
P4922
P4532
P4857
P2651
P6632
P5182
P4516
P2848
P2247
P6118
P3951
P5006
P369
P5389
P7993
P8410
P3412
P1838
P2756
P5357
P6607
Atom O of residue 32
P2796
P6518
Atom C of residue 82
P2231
Atom HA of residue 1
Model 320
P5866
P6508
P3935
Atom C of residue 32
P4252
P4592
P5145
P10092
P3
P11515
P7074
P5931
Atom HE2 of residue 59
P4011
P8265
P6914
P2638
P10803
P4526
Atom O of residue 48
P4217
Atom CA of residue 32
P5645
P2780
LEU
P5109
Atom HD3 of residue 72
P3317
P3132
P3074
P6265
P4164
P1727
P5744
P8211
P3004
Atom CA of residue 55
P3510
P1699
P6051
P2265
P8415
P1427
P7868
P6546
P6024
P3863
P3686
P6980
Atom HA of residue 12
P38
P2446
Atom CA of residue 81
P1345
P3142
P3318
P4267
P1397
P1468
P4923
P300
P1602
Atom O of residue 63
P7852
P0
P9447
ListSingletonContainer255
P8269
P4593
P3788
P5865
P1452
P7096
P4869
P5272
P4555
P7787
P4695
Atom HG21 of residue 5
P6735
P8320
P3211
P4912
P8423
P7167
P3
P5931
P6519
P4369
P7601
P4218
Atom H of residue 7
P4127
Atom H of residue 18
P8365
Atom HD21 of residue 25
P5183
P7009
P7722
P5118
P3974
P6524
Atom NE of residue 74
P5893
Atom HG22 of residue 17
P3183
P3262
P8092
P2148
Atom O of residue 44
P1839
P6915
P2791
P7600
GLN
P6633
Atom HB2 of residue 58
P1861
P5146
P5932
P2936
P3442
P6118
P8514
P2848
P7994
P2907
P8411
Atom CA of residue 86
P5358
P4013
P3946
P12097
P5867
P7535
Atom O of residue 32
P4717
P51
P6364
P11516
P5126
P7075
P4533
P37
Atom HH of residue 59
P5646
P4858
P2652
P12839
P8410
P7381
P1784
P1346
P4517
P8003
P2849
P5441
P6119
P7526
Atom O of residue 6
P3952
Atom O of residue 54
Atom HE2 of residue 6
Atom O of residue 82
P5390
P1
P5110
Atom HE of residue 72
P7283
Model 143
P3413
Atom HB2 of residue 60
P6608
P2797
Atom CA of residue 65
P3936
P3080
P4913
P6052
P4253
P4593
P4870
P7869
P2248
P5932
Atom C of residue 32
Atom CG of residue 8
P2447
P4012
P2757
P8298
P2639
P5119
P10804
P195
P6525
P4527
P7694
P4923
P1728
Atom O of residue 37
P2301
P2781
P8321
P3318
P1700
Atom CB of residue 44
P3133
P3075
GLN
P8270
P3864
P13320
P4165
P5007
P3005
P3511
P8416
P5184
P5273
P6025
P3687
Atom HG23 of residue 17
P1940
P7168
P3143
P3319
P4268
P99
Atom CB of residue 45
P4924
Atom CA of residue 57
P1453
Atom HD21 of residue 60
P7853
P2266
P7723
P9448
P4594
P3789
P5894
P7097
P8093
P5183
Atom C of residue 86
P8419
Atom CD2 of residue 17
P6543
P115
P4556
P1398
P4696
P5745
P8213
P6509
Atom CB of residue 63
P3212
P6520
P4370
P6981
P7788
P4219
P8515
P4128
P8366
P1428
Atom C of residue 31
P3975
P12098
Atom HA of residue 7
Atom HE3 of residue 6
P2232
P3184
P3263
P7536
P4871
P6916
P2792
P6266
Atom CG1 of residue 3
P5866
P6634
Atom CB of residue 80
P7382
P8004
P8299
P5147
P5442
P6120
P7527
P13321
Atom CB of residue 54
P2937
P3443
P6119
P7284
P2849
P2908
P1840
P4014
P3947
P7602
P1469
P1603
P5868
P1785
P7995
P4718
P1862
P7010
P7870
P11517
P5127
P7076
Atom N of residue 2
P2653
Atom HA of residue 37
P4518
Atom H of residue 18
P2850
P7171
P10093
P4528
P7695
P3953
P4924
P5391
P7601
Atom C of residue 65
P3414
P6609
Restraint 98
P2798
P5008
P2448
P6510
P3937
Atom HD2 of residue 48
P3081
P4914
P4254
P4594
P6026
P370
P2302
P5184
P8412
P4013
P8304
P2640
P6365
ListSingletonContainer563
P6526
P4534
Atom CG of residue 45
P4925
P1586
P4859
P2782
P6736
Atom HH21 of residue 54
P3319
Atom HD22 of residue 60
P7854
P6053
P3134
P91
P4166
P12838
P8409
P1941
P3006
P3512
Atom CG1 of residue 44
P5185
P2812
P2758
P5359
P3688
P5746
Atom C of residue 57
P2149
Atom HB2 of residue 37
Atom CG of residue 63
P3144
P3320
P2249
P6982
P4269
Atom N of residue 83
Atom N of residue 18
Atom O of residue 86
P1429
Atom O of residue 31
P5120
P10805
P3790
Atom NH2 of residue 74
P1399
P5895
P1557
P8322
P7098
P8094
P1
P8420
P6267
P4557
Atom O of residue 26
Atom O of residue 32
P5933
P4697
P5647
Multivariate Normal distribution 30
P5867
P1604
P5111
P1701
P3213
P7724
Atom CZ of residue 14
P5933
P3865
P4371
P2233
P4129
P8005
P3976
P7603
Atom HB of residue 3
P1729
P1470
P3185
P3264
P7537
P8413
P8305
P8417
P7011
P4840
P9449
P2793
P3282
P5128
P12099
P2449
P1454
P8300
P5274
P7528
P13322
P2938
P7602
P3444
P6120
Atom CG of residue 73
P7383
P2850
P2909
P1863
P6917
P5360
P4015
P5443
P4
P6521
P3948
Atom HG12 of residue 3
Atom HD2 of residue 59
P8212
P2364
P7285
Atom HD3 of residue 48
P4719
P5149
P8271
P6121
Atom CG1 of residue 26
P7789
P301
Atom HG12 of residue 5
P2654
P6737
P4519
P2267
P2851
P1841
P6366
P4529
P7696
P3954
P4535
Atom CZ of residue 45
P49
P5392
P4860
P6635
P3415
P6054
P10094
P6610
P2799
P5009
LEU
P6511
P3938
P3082
P4255
Restraint 63
P7169
P7871
GaussianProcessInterpolationRestraint 5
P2303
P5869
LYS
P2150
P5185
P4014
P2641
P11518
P7077
P2783
P12840
P5112
Atom CD1 of residue 73
P8411
P7996
P3320
P3135
P5121
P6027
P10806
P4167
Atom H of residue 74
P1587
P8323
P3007
P3513
P2813
P5275
P6268
P3689
Atom CA of residue 54
P5747
Atom CD2 of residue 56
P1786
Atom CG of residue 19
P7855
P4915
P2759
P3145
P3321
P7725
P5934
P6983
P4270
P197
P1558
Atom OG of residue 86
P60
P10095
P8272
P3791
P6527
P4925
Atom CB of residue 32
P7099
P1702
P8296
P8418
P4841
P9450
Atom CD1 of residue 20
P3866
ListSingletonContainer331
P5934
P4698
P5868
P3214
P5187
P4372
P1730
P5896
P1471
P4130
ListSingletonContainer190
P3977
P6522
P7604
P5648
P3186
P3265
P2365
P1455
P1942
Atom CG2 of residue 22
P8414
Atom CA of residue 44
P8306
P7012
P8267
P2250
P2794
P3283
P6122
P4558
Atom CG2 of residue 26
Atom CB of residue 6
P4926
Atom HD11 of residue 61
P6738
P8095
Atom ND2 of residue 60
P7170
P2939
P7603
P3445
P6121
P1605
P8214
P6636
P2851
Atom OG of residue 65
P2910
Atom CG of residue 42
P6918
P5361
P4016
P3949
P8006
P2268
P4720
P1842
P7790
P100
P2234
Atom CD1 of residue 43
Atom HG11 of residue 5
P2655
P5870
P8295
P7538
P4520
Atom N of residue 87
P2852
P11519
P7078
P4530
P1
P3955
P4926
P1400
P5393
P12841
P8412
P3416
Atom O of residue 65
P1430
P6028
P2800
P7529
P12100
P3939
Atom H of residue 22
P3083
Model 202
P6055
P4256
Atom HG21 of residue 30
P7384
P1787
Atom CD of residue 63
P7856
P4015
P4916
P2642
P5444
P120
P13323
P4
P4536
P2784
P2366
P5113
P7286
P7997
Model 369
P3321
P3136
ListSingletonContainer77
P6611
P5935
P5122
P10807
P6528
P4168
P7697
Atom C of residue 54
Atom N of residue 57
Atom CD2 of residue 73
P8324
P3008
Atom CD of residue 19
P3514
P8297
P2814
P5276
P3690
P4155
P5010
Atom HG of residue 8
Atom H of residue 43
P5649
P2450
P6512
P1864
P3146
P3322
P5148
P5129
P4271
Atom HB3 of residue 45
P5897
P4927
Atom HD12 of residue 61
P5187
Atom OG of residue 65
Atom CG of residue 1
P7726
P8273
P6367
P3792
P7100
P4842
P7872
P8268
P9451
P6269
P3867
Atom HD11 of residue 30
P4699
P8096
Atom HE3 of residue 48
P3215
P10096
P4373
P5748
P4856
P8215
Atom H of residue 65
Atom CG of residue 24
P2151
P4131
Atom O of residue 66
P2251
P3978
P6984
P371
P1588
P3187
P3266
P2269
P1431
P2795
P3284
P4559
P7791
P2235
P1559
P1943
P7539
P6123
Atom CA of residue 14
P1472
P2940
P5869
P3446
P6122
P2304
P1606
P6739
P6637
P2852
P2911
Atom CE of residue 63
Atom H of residue 60
ListSingletonContainer580
P8419
Atom HD13 of residue 30
P4017
P7530
P3950
P8007
P4721
P5186
P2760
P5130
P7605
P1401
P2656
P5871
P4521
P2853
P7013
P6368
P13324
P11520
P7079
P3956
P4927
P5935
P5394
P12842
P8413
P8319
P7998
P3417
ASP
P2801
Model 292
Atom HD13 of residue 30
P12101
P4531
P7698
Atom CZ of residue 74
P1731
P302
P1322
P7604
P3940
P8415
P1703
P3084
P8307
P4257
P5362
P6029
P6523
P5011
P7385
P1788
P6513
Atom HA of residue 22
P4016
P2643
P5150
P5445
ListSingletonContainer265
P198
P2785
P7287
P3322
P7857
Atom H of residue 65
P3137
P6919
P6612
P5123
Multivariate Normal distribution 5
P196
P4169
Atom CB of residue 82
Linear1DFunction 35
Atom HA of residue 43
P1456
Atom O of residue 73
P8294
P3009
P3515
Atom CB of residue 66
P1865
P2815
P8269
P9
P6270
P3691
P4156
Atom HD2 of residue 45
Atom HG13 of residue 5
Atom HZ1 of residue 48
P8420
P7873
P3147
P3323
Atom NE of residue 14
P10097
P10808
P4272
VAL
P5936
P4537
P4928
P5749
Atom OE1 of residue 24
P2152
P6056
P1843
P3793
P6985
P5115
P7101
P4843
P5936
P5898
P4700
P8097
P3216
P5277
P4374
P1589
P5870
P2305
P8216
P0
P4132
P1704
P4917
P7172
P2252
P3979
P6524
Atom H of residue 3
P8284
P3188
P3267
P2451
P1560
P8008
ListSingletonContainer137
P2796
P3285
P4560
P6529
P7606
Atom C of residue 14
P1473
P1607
P7540
P5186
P7014
P7727
P9452
ListSingletonContainer448
P2941
P5650
P3447
P6123
Atom H of residue 47
P2853
P2912
P1432
P5188
P2761
P4018
P8274
P7531
P3951
P12102
P7792
Atom HG23 of residue 17
P1732
P2
P7605
P7288
Atom NZ of residue 63
P8416
P8308
P4722
P0
P5363
P5131
P7699
P5937
P2657
P1457
P7386
P4522
P2270
P1306
P8303
P2854
P5446
P10098
P6369
P3957
P2236
P5395
P12843
P8414
P3418
P7874
P2802
P4532
P101
Atom HB of residue 3
P6638
P1944
P3941
P3085
P4258
P5151
P6124
Covariance1DFunction 63
Atom N of residue 31
Atom NH1 of residue 74
P5012
P39
P6740
Atom O of residue 65
P7999
Model 185
Atom HZ2 of residue 48
P4017
P4918
P2644
P5124
P10809
P3868
Atom N of residue 6
P2786
P5872
P8296
P3323
P3138
P6920
P6613
P11521
P7080
P6530
P4170
P4928
P3010
P3516
P4844
P2816
Atom CB of residue 36
P3692
P13325
P8285
Atom HD13 of residue 61
P2367
Atom OG1 of residue 66
UnaryFunction5
P8421
P1844
P3148
P3324
P5278
P117
P4273
P4538
P1402
Atom CD2 of residue 25
P5750
P1789
Atom OG1 of residue 22
P6057
P6030
P3794
P6986
Atom CB of residue 73
P7102
P8270
ListSingletonContainer80
P5937
Atom N of residue 1
P4157
P4701
P2306
P2153
P7858
P3217
P9453
P0
P4375
Atom H of residue 45
P5871
Atom HA2 of residue 47
P8217
P6514
P4133
P7173
P5189
P7875
P8275
P3980
P6525
P7793
Atom N of residue 18
P4930
Atom HB2 of residue 43
P5651
P3189
P3268
P5188
Atom CB of residue 86
P2797
P3286
P4561
P7607
Atom HG22 of residue 5
GLN
P1307
P1866
P7015
P7728
P6271
P372
P5899
P2942
P3448
P6124
P12844
P5114
P8415
P2854
P8098
P2913
P1435
Atom C of residue 19
P4019
P13326
P3952
P7606
P2368
P6639
P1945
P1705
P4723
ListSingletonContainer235
P42
P2658
P8000
P4523
P8302
P2855
P3869
P12103
P3958
Atom HD11 of residue 3
Atom HA of residue 45
P1733
P5396
P2452
P5873
P8297
P7541
Atom H of residue 63
P3419
P8009
Atom CA of residue 65
P3059
P11522
P7081
P4533
P4929
P1590
P7387
Atom CB of residue 65
P3942
P3086
GeneralizedGuinierPorodFunction 5
P4259
P5152
P5447
P6125
P7532
Atom O of residue 48
P6741
GaussianProcessInterpolationRestraint 45
P1561
P6515
Atom HE2 of residue 48
P4018
P4919
P2762
P2645
P10810
P5132
P7700
Atom O of residue 12
P2787
P1458
P1790
P8417
P3324
P8309
P6058
P2271
P3139
P7172
P29
P6370
P6531
P4171
P2237
P1608
P3011
Atom CE1 of residue 45
P3517
P2817
P7877
P8271
P2253
P10099
P3237
P5938
P3693
P1403
P1474
P8286
P0
P3149
P3325
P5364
P4274
P5013
P4539
P8218
P5
P6031
P197
P3795
Atom N of residue 26
Atom HB3 of residue 43
LYS
P7103
P5189
Atom CG2 of residue 66
P7174
Atom CG of residue 17
P4158
P4702
P7859
P3218
P1867
P7729
P9454
P6272
P4376
Atom C of residue 15
P5900
P303
P8298
P7289
Atom HG22 of residue 30
P8099
P4134
P5190
P3981
Atom CB of residue 48
P5751
P3190
P3269
P2307
P2453
P2154
P8010
P5862
P2798
P3287
P5125
P4562
P6987
Atom HD11 of residue 13
P7794
P5938
P5116
P8418
P8310
P8422
P1
P5365
P6126
P12104
Atom HB2 of residue 45
P2943
P5652
Atom CA of residue 62
P3449
P6125
P2855
P7542
P2914
Atom HA of residue 63
P1321
P1845
P5279
P4020
P3060
P13327
P3953
P1591
P5872
P6640
P7388
P1706
P4724
P5448
P3870
P6526
P7533
P2659
P6742
P1562
P4524
P2856
P4845
P2763
P3238
P8276
P5133
P7608
P3959
Atom HE22 of residue 2
P4929
P5397
P5874
P1946
P8001
P3420
P7016
P7876
P6371
P11523
P7082
P6
Atom HD12 of residue 3
P3943
P3087
P4260
P5153
P2254
P4534
P7701
P1734
P1476
P7607
P6516
P4019
P2646
P5014
P1609
P2788
Atom CB of residue 1
P3325
P3140
P1847
P6032
P4172
Atom HA3 of residue 47
P3012
P3518
Atom HA of residue 66
P2818
Atom CD1 of residue 17
P10100
P3694
P12845
P1459
P8416
P8201
P7860
P6059
P3150
P5863
P3326
P5280
ListSingletonContainer191
P5126
P6273
P4275
P4540
Atom O of residue 29
GaussianProcessInterpolation77
P4920
P3796
P5752
P5653
P7104
P5190
P8367
P4846
P8277
P6988
ListSingletonContainer564
P6532
P4159
P4930
P5939
P4703
P2454
P5117
P3219
P2272
P8423
P10811
Atom HG3 of residue 54
P4377
P102
P5901
P2238
P8288
P8301
P7290
P8100
P2155
P4135
P7175
P5191
P3239
P5939
P3982
Atom O of residue 15
P5873
P3191
P3270
P1868
ListSingletonContainer78
P2799
P3288
P6527
P4563
Atom CG of residue 48
P1791
P8419
P8311
P8272
P5366
P7609
P2944
P3450
P6126
P2856
P7543
P2915
P1707
P7017
P1
P7730
P9455
Atom CG of residue 14
P4021
P3061
P3954
P12105
P2369
P4725
P5154
P7534
P4535
P1404
P1735
P7608
P8219
P2660
P7389
P4525
P2857
P5449
P3960
P1592
P5398
P12846
P8417
P8202
P3421
P2255
P3871
P1409
P7795
P4931
P40
P1477
P4932
Atom C of residue 62
P2308
P6743
P1563
P3944
P3088
P4261
P7878
P10101
P7702
P6641
P5413
P1947
P0
P4020
P6060
P8368
P1848
P5864
P2647
P118
P5015
Atom N of residue 48
P2789
P3326
Atom N of residue 3
P4921
P3141
P13328
P4173
P2370
P1461
P5875
P8302
P3013
P3519
P2819
P8273
P5940
P3695
P11524
P7083
P6533
P373
Atom HH22 of residue 72
P1405
P8002
P8011
P6
P4847
P3151
P3327
P5281
P5127
P6033
P10812
Atom HD2 of residue 54
P4276
Atom HG23 of residue 13
P5940
P4541
P6517
P5192
P3797
P5134
Atom HG22 of residue 3
P5753
P2
P8220
P7105
P5191
P7861
P2273
Atom CD of residue 14
P8278
P6127
P6372
P6989
P4160
P4704
P2239
Atom CD2 of residue 43
P3220
ClosePairContainer
P6274
P4378
P8325
P4136
Atom HB2 of residue 63
P7176
P9456
P3983
P4933
P5874
P3192
P3271
P1610
Atom CA of residue 65
P1792
P1316
P1433
P2764
P2800
P3289
P4564
P199
Atom CE of residue 48
Atom CD2 of residue 56
P304
P8
ListSingletonContainer332
P7610
P2945
P3451
P6127
P2857
P2916
P1869
P7018
P4022
P3062
P3955
PHE
P5902
Atom O of residue 62
P6744
P8101
P0
P4726
P8424
P4536
P5654
P8287
P7609
P2661
P6642
P4526
P8369
P2858
P7731
P5135
P1410
P3961
Atom CG1 of residue 3
P5399
P12847
Atom N of residue 4
P8418
P8203
P3422
Atom CA of residue 28
Linear1DFunction 37
P6373
P13329
P7796
P4932
P4934
P2455
P5876
P1948
P7291
P7544
P3945
P3089
P8012
Atom HB of residue 66
P4262
P11525
P7084
P1593
Atom HA of residue 7
P5118
P2156
Atom N of residue 22
P8420
P4021
P8312
P5865
P5367
P2648
P19
P2256
P6034
P6528
P7535
P12106
P5941
Atom HB2 of residue 28
P2790
P1564
P6518
P3327
P6061
P3142
P2765
P10102
P4174
P7390
P8303
P5192
P3014
Atom HB3 of residue 63
P3520
P7862
P1308
P2820
P8274
P5450
P43
P3696
P1406
P5655
P8003
P1708
P3152
P3328
P6275
P10813
P4277
Atom NZ of residue 48
P7703
Atom H of residue 56
P4542
P1478
P2309
P8326
GridCPF
P8425
P5155
P3872
P3798
P5016
P1611
P7292
P7106
P1849
P6128
P4161
Atom HG23 of residue 3
P4705
P3221
Atom C of residue 20
P22
P4379
P1736
Atom C of residue 65
P8221
P6925
P4137
P2274
P4848
P5282
P9457
P3240
P5129
P3984
P5903
P5095
P2240
P3193
P3272
P3
P1462
P8102
Atom HD2 of residue 37
P4922
P2801
P3290
P6529
P4565
P103
P1340
P5754
Atom N of residue 44
Atom HG1 of residue 66
P7732
P6990
P6534
P2946
P3452
P6128
P2858
P2917
P1434
P4023
P3956
P7797
P8289
LYS
P8420
P7545
P8205
P8013
P8361
P4727
P7177
P1870
Atom HA of residue 45
P8279
P5875
P2662
P6745
P6643
P5119
P8421
P4527
P8313
Atom C of residue 28
P2859
P5193
P7879
P5368
P5941
P7536
P11526
P5136
P1411
P3962
P5656
P5400
P2371
P7293
Covariance1DFunction 14
P3423
P8366
P10103
P6374
P3063
P1319
P7611
P4933
P1594
P5877
Atom HD2 of residue 19
P3946
P3090
Atom N of residue 38
P4263
P7019
P5156
P98
P7085
P1565
P8367
P1793
P8004
Model 4
P4022
P2649
P12107
P7704
Atom C of residue 20
P4543
P7610
P2791
P2157
P3328
P4923
P3143
P6035
Atom HZ1 of residue 29
P4175
P5017
Atom HB3 of residue 28
P4
P12849
P7391
P3015
Atom CG of residue 21
P3521
P1709
P2821
P5451
P3697
P6535
P4537
P1341
P2310
P2456
Atom HG2 of residue 63
P7863
PairPredicate 1
P2766
P3153
P3329
P13330
P4278
P1737
P41
Atom CA of residue 48
Atom O of residue 65
P6926
P8426
P1850
P5866
P5283
P3241
P3799
Atom H of residue 48
Atom HA of residue 56
Atom HG22 of residue 9
P374
P1479
P4931
P7107
Atom HE3 of residue 1
Atom CB of residue 14
ListSingletonContainer164
ListSingletonContainer275
P198
P200
P4162
P4706
P5755
P1747
P8421
P1794
ILE
P3222
P6062
P4849
P2257
P4380
P6991
Atom O of residue 20
Atom HB3 of residue 11
P1612
P1949
P4138
P8206
P5194
P3985
P10814
Atom HZ3 of residue 29
P5904
P8290
P3194
P3273
P8368
P6519
P8103
Atom O of residue 36
P8275
P2802
P3291
P8280
P5942
P6530
P4566
Atom HA of residue 2
P1407
P5876
P1463
Atom HD3 of residue 19
P7880
P7733
P3873
P2947
P3453
P6129
P2372
P2859
P5193
P2918
Atom HG21 of residue 66
P4024
P6276
P3957
P7612
P4934
P8223
P7546
P4728
P7178
P7020
P9458
P13331
Atom N of residue 62
P2663
P5120
P8327
Atom OD2 of residue 21
P4528
P8014
P2860
Model 72
Model 266
Atom HD1 of residue 45
P5128
P6129
P7537
P12108
P7798
P3963
P5942
P5401
P7611
P3424
PRO
P2275
SingletonScore 3
ListSingletonContainer447
P3064
Atom HD3 of residue 54
P2241
Atom HD23 of residue 43
P7392
P3947
P3091
P4264
P5157
P5452
P10104
P4538
P1412
P1689
P4023
P8233
P2650
P7705
P4544
P2792
P6644
P6520
P3329
P4924
MovedSingletonContainer2
P3144
P0
P5867
P11527
P5137
P4176
P5018
P305
P6746
P0
P8005
P3016
P8422
P3522
P8316
P1871
P2822
P6375
P3698
P6536
Atom C of residue 48
P5878
P3154
P3330
P6130
P7086
P4279
P5943
Atom O of residue 8
P2158
P5369
P10815
P3800
P2311
P1748
P7108
P5194
Atom HG3 of residue 63
P8304
P2767
P8276
P5943
P4163
Atom CB of residue 20
P4707
P5756
Atom CB of residue 65
P8422
P1950
P3223
P6063
P8234
P7734
P6036
Atom N of residue 30
P4381
P6992
Atom HB2 of residue 56
P1595
P5657
P12848
P8328
P4139
P5195
P6277
P3986
P4935
P1408
P1475
P8291
P3195
Atom HD2 of residue 11
P3274
P8369
P7864
P9459
P3059
P3292
P3874
P4567
Atom HH11 of residue 54
P5877
P2457
P4529
SingletonScore 9
P7179
Atom C of residue 55
P3242
P7799
P2948
P3454
P6130
P2373
P1567
P7294
P2860
P1
P2919
P8423
P8317
P8427
Atom CB of residue 17
P4025
P2
P3958
P7613
Atom CD of residue 48
Atom HB2 of residue 2
P1738
Atom N of residue 44
P1613
P1710
P4729
P7021
P5284
P2258
P5130
P6131
P13332
P1690
P5905
P2664
P5121
P6927
P8104
P8237
P2861
P5370
P114
P6376
P6531
P3964
P5402
P7612
P6645
P1327
P3425
P3
P4850
P8281
P3065
P5138
P1413
Atom HB of residue 7
P8006
P3948
P3092
Atom H of residue 66
P4265
ListSingletonContainer79
P12109
P4539
Atom N of residue 34
P5879
P7547
P4024
Atom CB of residue 37
P8305
P11528
P7087
P5944
P4545
P2793
P8222
P7393
P6521
P1739
P3330
Atom O of residue 44
P6064
Atom HE3 of residue 1
P3145
P1872
P5868
P5453
P7538
P4177
P104
P6747
P3017
Atom HD2 of residue 63
P3523
P8015
Atom O of residue 55
P1846
P2823
P3699
Atom O of residue 12
Atom OG of residue 65
P2159
P1
P2276
P7881
P3155
P3331
P5159
P4280
Atom HG of residue 56
Atom CG of residue 15
Atom O of residue 33
P5285
P10105
P6278
P10816
P7706
P1853
P7109
P5195
P4925
P3060
P3244
P4164
P5019
P4708
P1596
P2242
GLU
P2458
P12850
P1711
P3224
P4851
P8282
P5944
P6037
P4382
P6537
P1460
P8329
P7295
P6928
P4140
P8428
P7735
P95
P3987
P3801
P1739
P8292
P3196
P3275
P1795
Atom HB3 of residue 37
P7865
P9460
P3293
P5131
P199
P4568
P5906
P5122
P8419
P8105
P4530
P6532
P2949
P5757
P3455
P6131
P1614
P8364
P2861
P2920
P8424
P8207
P8318
Atom CG of residue 33
P8277
P2259
P4026
P3875
P3959
P6993
P7800
Atom HA of residue 9
P2312
P1951
Atom CG of residue 48
Atom CG2 of residue 7
P4730
P7180
P5197
Atom CB of residue 45
P13333
P12110
P4540
P5658
Atom CD1 of residue 45
P2665
P1749
P7548
P2862
P5371
P6377
Atom HE2 of residue 29
P3965
P4943
P375
P1347
P5403
P5878
P6646
P7394
Atom CB of residue 44
P3426
P7882
P5454
P78
P3066
P7539
Atom HH12 of residue 54
P6748
P3949
P3093
P4266
P3235
P3243
P7614
Atom CB of residue 11
P1854
P8224
P2374
P5880
P8007
P1740
Atom O of residue 21
P4025
P8238
P8306
P7022
Atom O of residue 14
P11529
P7088
P2548
P2794
Atom C of residue 19
P3331
P3146
P6038
P4178
P7707
P5945
P7613
P2459
P3018
P3524
P8016
Atom CE of residue 48
P4926
P2277
P2824
P3700
P13334
P5020
P3
P12851
Atom CB of residue 55
P3156
P8278
P3332
P4281
P6538
Atom CD1 of residue 36
P4546
ListSingletonContainer581
P306
P5286
ListSingletonContainer267
P10106
Atom HG2 of residue 2
P2243
P8293
P7296
P7110
P6522
P7866
P5869
P3061
P5139
P4165
P1691
P4709
P3225
P1873
P4852
P8283
P1
P4383
P1414
P1348
P5758
Atom CA of residue 34
P6929
P1796
P4141
P8208
Atom CD of residue 33
P6279
P3988
P3802
P6994
Atom C of residue 44
P3197
P3276
P1712
Atom H of residue 7
P5158
P3294
P5132
P6132
P10817
P4569
P5907
P1750
Atom O of residue 19
P8106
P5197
P4531
P2768
P1740
P2950
P5879
P3456
P6132
P1952
P8365
P2862
P2921
P8314
Atom C of residue 4
P4027
P0
P3960
Atom HH21 of residue 54
ListSingletonContainer565
P1597
P8331
P4731
P7181
P5945
P13335
P7615
P8225
P2666
P1568
P7549
P2160
Atom CZ of residue 4
P6065
P2863
P8429
P7023
P7736
P9461
P2260
P12111
P3966
P2549
P5404
P3427
P2410
P3067
P7540
P5140
P5659
P7614
P7395
P3950
Atom HD3 of residue 63
Atom CB of residue 61
P3094
P8017
P4267
PairsRestraint 4
P1567
P7883
P5455
ListSingletonContainer189
P6378
P4026
P7801
Atom HD11 of residue 56
P1692
Atom O of residue 11
JeffreysRestraint_P0
P2313
P1616
P2795
P6749
P8425
P3332
P3147
P5196
P5372
P10107
P3876
P6533
P4179
P7708
Atom HB2 of residue 65
P6647
P7297
P6523
P3019
P3525
P2825
P5870
P3701
P4541
P4942
Atom HA of residue 36
P5021
P12852
Atom NZ of residue 48
P1874
P3157
P8279
P3333
P4282
P105
P4547
P1855
P5881
P5123
P8308
P6280
P11530
P7089
Atom O of residue 43
Atom O of residue 44
P2375
P7111
P8008
P1741
Atom CE of residue 1
P8430
P3062
P6133
P10818
P13336
Atom CB of residue 26
P1415
P4166
Atom HG3 of residue 2
P4710
P1823
P2411
P3226
P8315
P2278
P4384
P5946
P43
P2244
P5759
P4663
P1
P2161
P4142
P7867
P1568
P5160
P96
P3989
P3803
P6995
P3198
P3277
P2769
P5287
P3295
P5133
P4570
Atom HE2 of residue 63
P4927
Atom OG1 of residue 55
P9462
Atom OG of residue 36
P6534
P2951
P5880
P3457
P6133
JeffreysRestraint_P1
P2863
Atom CD2 of residue 45
P2922
Atom HG21 of residue 5
Atom CA of residue 44
P4853
P4028
P112
P3961
P6539
Atom HD12 of residue 56
P5660
Atom C of residue 34
P1569
P8305
P6931
P4732
P5946
P6379
P7616
P1741
P1598
P8226
P2667
P4532
P8204
P1713
P6066
P2864
P7024
P7737
P8284
P6039
P3967
P5908
P5405
P8294
P6750
P8107
P8426
P3428
P5373
ListSingletonContainer333
P3068
P5141
P201
P7615
Atom HB3 of residue 65
P6648
P5124
P5196
P3951
P3095
P4268
Atom HG3 of residue 34
P3245
Model 59
P376
P1617
P4027
Atom CG of residue 5
P7182
P5198
P7802
P2796
P2460
P5882
P8330
P7550
P3333
P8018
P3148
P11531
Atom HE of residue 54
P7090
P4180
P4938
P2314
P4664
Atom OG1 of residue 9
P3020
P3526
P4928
P2826
P5871
P7541
P3702
P12112
P4542
P1693
P12853
ScoreState 45
P7884
P3158
P3334
P2261
P10108
ListSingletonContainer270
P6134
P4283
P6540
P4548
P46
Atom HG1 of residue 7
P1953
P7396
P1742
P1326
P7868
LYS
Atom CG2 of residue 55
P5161
P5456
P0
Atom H of residue 26
P2376
SingletonConstraint 1
P1751
P7112
P8009
Atom C of residue 44
Model 248
P8431
P5288
P5134
P10819
P0
P7709
P4167
P4711
P4
Atom CE1 of residue 45
P1856
P3227
P3877
P13337
P4385
P5947
P5022
P4143
P2569
P4854
P3080
P3990
P3804
P8295
Atom O of residue 34
P3199
P3278
P2279
Atom HG3 of residue 40
P3063
P3296
P5947
P4571
P5760
P2550
P6524
P4533
Atom H of residue 48
P8307
P8280
P7738
P9463
P8285
P6535
P6996
Atom CE1 of residue 4
P5909
P2952
P3458
Atom HG21 of residue 7
P2864
P8108
P2923
P1
P4029
P3962
P1416
Atom CB of residue 43
P1742
P5661
P7551
P2162
P1714
P4733
P6281
P7715
Atom HD13 of residue 56
P307
P8227
P2668
P0
P2865
P5199
Atom C of residue 14
P6040
P7803
P3968
Atom HB of residue 36
P2245
P5406
P6134
P5198
P3429
P8019
P3069
P5881
P6751
P6649
P5125
P7298
P3952
P3096
P4269
P7542
P2
P2461
P12854
P1752
P8332
Atom HD22 of residue 56
P4028
Atom N of residue 35
phys
P7183
P7885
P10109
P6135
P7617
P4549
P2797
P5883
P1954
P8304
P6930
P3334
P3149
P7025
P11532
Atom CG1 of residue 23
P7091
P4181
P4939
Atom CG of residue 43
ILE
P4665
P6525
P3021
P3527
P4929
P2827
ListSingletonContainer136
P6380
P3703
P5142
P12113
P4543
P7616
P8427
P4803
P0
P3159
P3335
P13338
P4284
P6541
P5948
P5023
P1599
P2315
P7397
P4104
P6067
P5162
P5457
P6282
P1694
P1857
P1573
P7299
P7113
P8010
P7869
P1875
P5374
P3878
P4168
Atom HG12 of residue 36
P4712
P5761
P2551
P1323
P4534
Atom HA of residue 48
P3228
P2770
P8281
P5872
P4386
P6997
P4144
P3991
P3805
P7710
P5662
P8296
P3200
P3279
P2462
Atom HE3 of residue 63
P8309
P2262
P3064
P3297
P3246
ListSingletonContainer192
P4572
Atom HB of residue 9
Atom H of residue 65
P8228
P2377
P2412
Atom HE21 of residue 40
P10820
P200
P1417
P5910
P2953
P3459
P2865
P8109
P5199
P2924
P6068
P2280
P100
P4030
P5948
P3963
P202
P5882
P1615
P7552
P1743
P8428
P4734
P8432
P7739
Atom CD1 of residue 23
P106
P2669
P8333
Atom HB of residue 26
P2866
P5200
P5289
P7618
P3969
P5407
P6135
Restraint 126
P2163
P3430
Atom O of residue 3
P7184
P1876
P7026
P5375
P9464
P5135
P3070
P6536
P3953
P3097
P8020
P4270
Atom CG2 of residue 7
P4855
P8286
P6381
P7543
Covariance1DFunction 38
P5143
P12114
P7804
P7617
P1753
P8306
P6932
LYS
P4029
P4804
Atom HB3 of residue 56
P4550
Atom CD1 of residue 43
P2798
P3
P7398
P3335
P3150
P2771
P5458
P10110
P119
P0
Atom CA of residue 26
P4182
P1574
P4666
P7300
P6526
P3022
P3528
P2413
P2828
Atom O of residue 17
P37
P3704
P4544
P1601
P2246
Atom CA of residue 44
P6650
P5127
P1955
Atom HG12 of residue 26
P6069
P3160
P5873
P3336
P3247
P13339
P4285
P5024
P2
P1695
P6752
P4105
P1715
P7886
P5163
P6041
P6283
GeneralizedGuinierPorodFunction 34
P0
P5884
P7114
Atom HZ1 of residue 63
P8310
P0
P5290
P11533
P7092
P4169
P5949
P1745
P4713
P44
P2552
P8299
P2316
Atom HD23 of residue 56
P4535
P3229
P4930
GLY
Atom HA of residue 14
P10821
P4387
Atom HG13 of residue 36
P4145
Atom HB of residue 55
P2263
P5949
P3992
P3879
P3806
P6542
P7711
P377
P5762
P3201
P3280
Atom HA of residue 65
P12855
P8011
P1744
P8433
P3065
P3298
P5136
P4573
P6998
P5663
Atom CG2 of residue 14
P2954
P3460
P1858
P2866
P5200
P2925
P7870
P7185
P9465
P4031
P6042
P6537
P3964
P5883
P8429
P4735
P4857
P8282
Atom CD2 of residue 53
P7805
P2670
P8334
P8307
P6933
P2164
P4805
P2867
P5201
P8288
P6136
Atom H of residue 23
P7619
Atom CG of residue 60
P3970
P5408
P1754
P3431
P7027
P5376
ListSingletonContainer193
P3071
P6544
P5911
P308
Atom HG22 of residue 7
P1575
P8110
P3954
P3098
Atom CD of residue 48
P4271
P6382
Atom HE21 of residue 2
ClosePairContainer
P8300
P7618
P2378
P6651
Atom HG13 of residue 26
P4030
Atom HE22 of residue 40
Atom C of residue 26
P4551
P13622
P6
P2799
P3336
P2414
P3151
P7887
P5164
P22
P12115
P4183
P1825
P2247
P8229
P5885
P4667
P7553
P3023
P3529
P2829
P3705
P11534
P7093
P4545
P5950
P2463
P12856
P7399
P7301
P1716
P4931
P2281
Atom CA of residue 35
P3161
P5874
P3337
P6137
P6043
P7544
P13340
P4286
P1418
P6753
P4106
P8021
Atom HG1 of residue 55
P8283
P1746
Covariance1DFunction 71
P1956
P7115
P8012
P8311
P5291
Model 293
P4170
P4714
P6527
P3230
P10111
P10822
P5144
P4388
Atom CD2 of residue 43
P1859
P4146
Atom HB of residue 14
P5202
P5459
P3993
P3807
Atom OD1 of residue 60
P5025
Atom HA of residue 54
P3202
P3281
P2317
Atom HG of residue 57
P5126
Atom NE2 of residue 62
P3066
P3299
P3248
Atom CE1 of residue 53
P5950
P5137
P6284
P4574
Atom HG23 of residue 7
P4806
P7740
P2955
P3461
VAL
P6934
P2867
P5201
P1745
P2926
Atom H of residue 14
P4536
P7871
P9466
P107
P4032
P3965
P7712
P5912
P2553
P5
P8111
P4736
P4858
Atom CA of residue 14
P2264
Atom HE22 of residue 2
P1696
P5763
P8230
P2671
P2379
P8335
P8308
P2868
Atom N of residue 41
P201
P6999
P7806
P3971
Atom H of residue 36
GridCPF
P5409
P13623
P3432
P8434
P3880
P3072
P12116
P6545
Atom CB of residue 28
P1419
P107
P5664
Atom H of residue 20
P7554
P3955
P3099
P4272
P7186
P6383
P5145
P5884
P6652
P7400
Atom N of residue 57
Atom CG1 of residue 61
P4031
P4807
P6070
P6138
P7545
P13341
P7094
P1602
ASP
P2800
P6754
P3337
P3152
Atom CA of residue 74
Atom O of residue 23
P7620
P4184
P4552
P8297
P5886
P4668
P3024
Atom HZ2 of residue 63
P8430
P3530
P2282
Atom C of residue 35
P7028
P2830
P7888
P1
P5377
P5460
P6538
P3706
P11535
P4546
P12857
P6528
Atom CD2 of residue 67
P3162
P3338
Atom CD2 of residue 73
P4287
P5951
Atom H of residue 43
P2248
P7619
Atom HE2 of residue 11
P1576
P1957
P4107
P8022
P2772
P8284
P5026
Atom HB2 of residue 54
P7116
Atom HA of residue 20
P8013
P2165
P5202
P8312
Atom H of residue 62
P6285
P4171
P4715
P3231
P4808
P8435
P10112
P4389
Atom CA of residue 17
P2464
P5128
P4147
P7872
Atom NH1 of residue 42
P5875
P3994
P3808
Atom HD12 of residue 36
P3203
P7302
P1717
Atom CG2 of residue 36
P3067
P3300
P4575
Atom ND2 of residue 60
Atom CD of residue 11
P5764
Atom CA of residue 6
P8336
P2415
Atom HA of residue 67
Linear1DFunction 2
P5292
P5165
P8289
Atom HA of residue 73
P7000
P7713
P378
P2956
P3462
P6935
P2868
P2927
P4537
P4937
Atom H of residue 55
Atom C of residue 70
P7741
Atom CE1 of residue 20
P4033
P10823
Restraint 103
P6539
P3966
P1697
P5913
P45
P1603
P2554
P8112
P4737
P4859
P72
P6384
P1743
P5885
P8231
P2672
P8309
Atom H of residue 26
P1746
SER
P6071
P2869
P5139
P3972
P5410
Atom C of residue 12
P3433
P2
P2265
P5461
P3249
P5951
P7621
P5665
P1860
P7555
P3956
Atom HZ3 of residue 63
P8431
P3100
P2283
P4273
P7029
P2773
P5378
P9467
P5146
P12117
Atom H of residue 28
P2473
Atom CG1 of residue 17
P4032
Atom C of residue 74
P6044
P7546
ListSingletonContainer566
P1420
Atom HD13 of residue 36
P7620
P2318
P2801
P7401
P3338
P8023
P3153
Atom CB of residue 70
P7742
Atom CG of residue 53
P6139
P3073
P4185
P4553
P2380
P4669
P3025
P3531
P8313
P5203
P2831
P3707
P6547
P4547
P7807
P8368
P6755
P1577
Atom HG23 of residue 5
P3163
P3339
P10113
P3881
Atom HB3 of residue 37
P4288
GaussianProcessInterpolation55
P6653
P5129
P2166
P4108
P7187
P7889
P5876
P5166
P8290
P7095
P5027
P1762
P7117
Model 345
Atom CD1 of residue 36
P4172
P4716
P13624
Atom C of residue 17
P5887
Atom HB2 of residue 20
P3232
P1666
P8436
P5293
P11536
Atom HB2 of residue 73
P4390
Atom N of residue 3
P309
P12859
Restraint 140
P4148
P1718
Atom CE2 of residue 20
P3995
P10824
P3809
P1604
P2249
P3204
P7303
P2416
Atom HB2 of residue 67
Atom HE3 of residue 11
P4860
P3068
P3301
P4576
P13342
P5952
P5765
Atom HG1 of residue 9
P8310
P6936
P8014
Atom HA of residue 55
Atom HG3 of residue 37
P7001
P7714
Atom O of residue 6
MovedSingletonContainer3
P2957
P3463
P1755
P2869
P6529
P2928
P2
P4538
P3
P4940
P6072
P8285
P4034
P3250
P6540
P3967
Atom H of residue 60
P2555
P5666
P1861
P1747
P7873
P4809
P4738
P9468
P5886
Atom OE2 of residue 18
P2673
P1958
P2870
Atom O of residue 74
P5204
P6045
P6286
P3973
Atom O of residue 3
P5411
P2465
P2382
P3434
P5952
P7622
P1744
P3957
P3101
Atom CG2 of residue 17
P4274
P7030
P5914
P8369
P2328
Atom CA of residue 58
P6756
P8113
P5203
VAL
P4033
P2266
Atom CD1 of residue 53
P7621
P2802
P6654
P3339
P3154
P7890
ListSingletonContainer107
P8291
P3074
P4186
Atom N of residue 37
P4554
Atom HB3 of residue 54
Atom CG1 of residue 13
P4670
P8337
P3026
P3532
Atom HA of residue 62
P2832
Atom CG1 of residue 70
P5138
P3882
ListSingletonContainer334
P3708
P4548
P1421
P7808
P1698
P5888
P7556
P6530
Atom O of residue 57
P8024
P2284
P3164
P3340
P13343
P11537
P5147
P7096
P4289
Model 296
Atom HB2 of residue 60
P1763
P5130
GLU
P8432
P4109
P7188
P5877
P5167
P7547
P12118
P1756
P7304
P7118
P1667
P6287
P4173
P4717
P7402
P8015
P3233
P5379
P6140
P6385
P4391
P2381
P4149
P1719
P6073
Atom HE3 of residue 27
P1
P8286
P7743
P10114
P3996
P10825
P3810
P6546
Atom HA of residue 28
P128
Atom HG2 of residue 54
P3205
Atom HB3 of residue 62
ARG
P3069
P3302
P4577
Atom HD2 of residue 37
P5953
P5028
Atom HG23 of residue 22
P1959
P2167
P2774
P5462
Atom C of residue 3
P2958
P3464
PairPredicate 11
Atom C of residue 58
P2870
P5204
P2929
P8314
P4035
P5953
P6046
P3968
P1600
P7
Atom N of residue 64
P4739
P9469
P5915
P2674
P12858
P8338
P8114
P8433
P4810
P2871
P8437
P5205
P3974
ILE
P2250
P5766
P5667
P5412
P1862
Atom CD1 of residue 8
Atom CB of residue 57
P4539
P3435
P2417
P7874
P5294
P7002
P2466
P3958
P3102
P4275
Atom CB of residue 74
P5380
P6386
P6541
P7809
P7557
P8025
P4034
P3251
P5148
Atom HB1 of residue 28
P5887
Atom CG2 of residue 13
P3059
P6757
P6655
P2
P3340
P3155
P5140
P3075
P7548
Atom CB of residue 73
P4187
Atom CB of residue 8
P1699
P4671
P8311
P6937
P3027
P3533
P7189
P4856
P2833
P7744
P8287
P3709
P7623
P4549
P7716
P4555
P5889
P6531
Atom CB of residue 67
P7031
P3165
P3341
P13344
P11538
P7097
P4290
P1422
ILE
P5131
P1748
P4110
Atom HZ1 of residue 27
P2775
ASP
P3883
P12119
P2556
P7622
Atom N of residue 8
P2327
P7119
Atom CA of residue 16
P8315
P6288
P4174
P5954
P5029
P4718
P7403
P8016
P3234
Atom CG2 of residue 23
Atom CB of residue 36
Atom N of residue 70
P5295
P5463
P6141
P4392
Atom HA of residue 11
P8364
P7305
P4150
P2285
Atom HG2 of residue 62
P6047
P3997
P3811
PRO
P3206
P2168
GLU
P4935
P7891
P5878
P5169
P2267
P3070
P3303
P4578
Atom HG3 of residue 54
Atom O of residue 58
Atom HD13 of residue 36
P0
P1720
P4811
P8438
Atom C of residue 17
P10115
P2959
P5767
P5668
P3465
P2871
P5205
P2930
P7875
P1668
P4036
P3969
P7003
P6543
P12860
P4740
P7745
P10826
P6542
P5916
P2251
Atom HG21 of residue 13
P1764
P2467
P2804
P8339
P8312
P6938
P8115
P3
P8434
P2418
Atom CD1 of residue 23
P2872
Model 231
P8287
Atom C of residue 67
P5954
P3975
Atom HD2 of residue 11
P5413
P5888
P3060
Atom O of residue 1
P4540
P3436
P5141
P202
P5149
P3959
Atom OG of residue 57
P3103
P4276
P5381
P6387
Atom HD3 of residue 37
P7624
P1863
P7558
P4035
Atom CD of residue 74
P7032
P9470
P5132
P1960
P7404
P3341
P8026
P3156
Atom HZ2 of residue 27
P5207
P7549
P12120
Atom HB2 of residue 28
P4188
P7810
P7623
P4672
P3028
P3534
P2834
P3710
P4550
Atom C of residue 3
P4556
P3059
P1757
P1749
P3166
P3342
P5464
P6142
Model 383
P4291
Atom CB of residue 11
P7306
PRO
P4111
Atom CA of residue 10
P6074
P7190
Atom HB3 of residue 60
Atom CA of residue 37
Atom CA of residue 23
P2557
P6656
P7120
P8316
P7892
P8288
P5879
P3252
P4175
P5030
P379
P4719
P6758
P3235
P2776
P5296
P10116
P2812
P4393
Atom CG2 of residue 30
P8365
P2383
P5890
P6532
P4151
Atom CG1 of residue 36
P2268
P3998
P3812
P13346
P11539
P7098
P150
P5955
GaussianProcessInterpolation22
PairsRestraint 5
P3207
P12861
P1721
P4936
P3071
P3304
P10827
P4579
Atom CB of residue 5
Atom HG12 of residue 70
P1669
ListSingletonContainer138
P5955
P6289
P1423
GaussianProcessInterpolationRestraint 23
P2960
P5768
P3466
P2872
P8017
P2931
P7876
P6075
P4037
P3884
P3970
P7004
P3282
P1700
P5669
P1765
P4741
Atom N of residue 38
P2252
P8313
P6939
Atom CA of residue 57
P2286
P2873
P8242
P9471
P3976
P5414
P5889
Atom HG22 of residue 13
P3061
P1758
P1961
Atom HA of residue 12
P4541
P3437
Atom H of residue 23
Atom HG3 of residue 62
P5168
P5142
P5150
P7811
P47
P1864
P2329
P5207
P3960
P3104
P4277
P8439
P7625
Atom HD2 of residue 54
Atom N of residue 58
P4
Atom HD21 of residue 69
P4036
P7033
P7717
P5917
P8341
P8116
P3342
P4812
P3157
Atom HE2 of residue 27
P4189
Atom HD21 of residue 60
P7624
P6657
P4673
P2169
P3029
P3535
P2419
P2835
P3711
P4551
P4557
P8435
P3167
P3343
P5382
P6388
P6543
P4292
P12121
P5891
P7559
P6533
P4112
P7191
P7
P2269
P6048
P11540
P7099
P5956
P2805
P7307
P7121
Atom CA of residue 64
P8289
P5880
Atom N of residue 14
P6143
P7550
P382
Atom CG1 of residue 5
P1701
Atom CD1 of residue 30
P4720
P1324
P8303
P6759
P8027
P3236
P5206
P7893
P7746
P10117
P6290
P10828
P2813
P4394
P8018
P4152
P7877
P6076
P8440
P3253
P3999
P3813
ILE
P3208
P2330
Atom HD21 of residue 50
P12862
P1750
Atom N of residue 3
P2777
P3072
P5465
P3305
P4580
P1424
P129
Atom HG21 of residue 22
P2558
ILE
P2468
P5133
P8318
P8243
P6544
P5031
P2961
P3467
P2873
P2170
P2932
Atom HE21 of residue 62
Atom NE of residue 74
P5297
P4038
P5956
P6049
P3971
P3283
Atom NE of residue 42
Atom C of residue 57
Atom HG of residue 20
P4932
P2287
P4742
Atom CB of residue 42
Model 405
P7405
Atom HD22 of residue 69
P2874
P5170
P9472
P13345
P5151
P7718
P3977
P5918
P5415
LEU
P3062
P3
P8117
P4542
P3438
Atom C of residue 72
P5143
P5769
P4089
Atom CA of residue 37
P3961
P3105
P4278
P7005
P7812
Atom CD1 of residue 4
Atom O of residue 3
P356
P1962
P8436
P7
P4037
P5383
P6389
P7551
P4
P12122
P5670
P3
P1766
Atom CA of residue 6
P2384
P8315
P6941
P7560
P3343
P1722
P2420
P1670
P3158
ListSingletonContainer82
P0
P4190
P5890
P6658
P4674
P3030
Atom N of residue 21
P3536
P2836
P6144
P3885
P3712
P4552
Atom CD1 of residue 3
P8304
P6760
P3168
P3344
P5466
P10118
P4293
P7626
P2469
P5892
P5134
P5206
Atom C of residue 64
P4113
P8028
P7034
P11541
P7100
Atom CA of residue 13
Atom HD22 of residue 50
P7122
P5208
P2778
P8292
Atom CB of residue 66
P5957
P4558
P4721
Atom HD3 of residue 54
Atom HB of residue 44
P7625
P2331
P8340
P3237
P7747
ASN
P2814
P4395
P5032
P2253
P1865
P8019
P4153
P1331
P4813
P8441
Atom CZ of residue 74
P5298
P6050
P4000
P6545
P3814
P7719
P1702
P3209
P12863
P7878
P4933
P6077
P7192
P7894
P2270
P3306
P4581
Atom HG2 of residue 37
phys
P2559
Atom C of residue 37
P1751
Atom HG2 of residue 2
P5881
P5171
P2962
P3468
P7308
P2874
P2933
P4039
P5144
P10829
P3972
P3284
P2168
P5770
P4090
P2806
P2385
P6534
Atom CZ of residue 42
P4743
P3073
P13347
P7006
Atom O of residue 4
Multivariate Normal distribution 23
Atom HG2 of residue 18
Atom HG12 of residue 44
P7406
P2875
P3978
P5919
P5416
P1767
P0
P8118
P4543
P3439
P2288
P1671
P8246
P3254
P6291
Model 115
P5891
Model 341
P1759
Atom HB3 of residue 57
P2171
P3962
P3106
P4279
P8317
P7748
P3886
Atom C of residue 13
P1323
P1723
P8029
P4038
P2
Atom CG of residue 66
P5957
P7552
P7627
Atom H of residue 30
P5671
Atom HG21 of residue 9
P3063
P7561
Atom O of residue 64
Atom H of residue 75
P3344
P3159
P7035
P9473
P12123
P4191
Atom H of residue 6
P2332
P4675
P1963
P3031
P3537
P4934
P5209
P2837
P8293
P3713
P4553
P8305
P7626
P5208
ASP
P3169
P3345
P6145
P5152
P4294
P2254
P5135
P6535
P4114
P10119
P7813
Atom HA of residue 60
P380
P2548
P6761
P12864
P8342
P7123
P8437
Atom HA of residue 5
P7895
P46
P4559
Atom HA of residue 7
P4722
P1866
P6659
P8314
P6940
P3238
P5882
P6292
P2815
P4396
P5033
P4154
P5384
P6390
P4001
P3815
P7720
Atom O of residue 124
P3210
P2807
P5893
Atom HB2 of residue 37
P7193
P3307
P6051
P4582
P13348
P11542
P7101
Atom CE2 of residue 4
Atom HA of residue 30
P5771
P2560
P1760
Atom HA2 of residue 75
P4814
Atom HB2 of residue 62
P5172
P10830
P2169
P1703
P2963
P3469
Covariance1DFunction 86
P7309
P2875
P2934
P2421
P8247
P4040
P3255
Atom OD1 of residue 66
P3973
P5958
Atom HG of residue 57
P8020
Atom HD23 of residue 69
P8209
Atom HD13 of residue 36
P4744
P9474
P3074
P6546
P7007
Atom CB of residue 5
P2876
P2271
P3979
Atom HG3 of residue 18
P5672
P5417
Atom HG13 of residue 44
P2333
P2470
P8438
P4544
P3440
P7879
P6078
P1672
P8319
P8442
P7749
Atom CA of residue 17
P5467
PairScore 3
P3285
P110
P5892
P2172
P3963
P3107
P4280
P5299
P0
P4554
P48
P5209
P0
P4039
P2779
P5385
P5958
P6391
P98
P5153
P7628
Atom CB of residue 124
P4091
P3064
P2386
P1964
P1752
P3345
P3160
P7036
P3887
P4192
P5920
P2549
P6762
P4676
P8343
P8119
P3032
P3538
Atom N of residue 37
P5210
P2838
P8294
P3714
P2255
P8306
P7627
P6660
Atom CB of residue 64
P3170
P3346
P5145
P4295
Atom HD23 of residue 50
P7407
P6536
P4115
P2289
Atom N of residue 52
P7814
P7721
P357
P5894
P8316
P7124
P6942
P7562
P1724
P2422
P104
P11543
P7102
Atom CZ of residue 4
P4560
P4723
Atom CA of residue 8
P3239
P4815
P8210
P7194
P5883
P6293
ListSingletonContainer335
P2816
P7553
P4397
P12124
PRO
P1704
P7310
P4155
P5300
P4002
P3816
P3
P3211
AngleSingletonScore3
P2471
P2808
Atom CA of residue 26
Multivariate Normal distribution 45
P5137
P8021
Atom HA3 of residue 75
Atom N of residue 70
Atom CG of residue 74
P3308
P6146
P4583
P13349
P2561
P1768
Atom O of residue 22
P5173
P5468
P10120
P10831
Atom HB of residue 30
P2964
Atom H of residue 22
P3470
P7408
P2876
P2935
P8320
P8443
P7750
Atom CE of residue 13
P4041
P3974
P5959
P5034
P1867
Model 370
P1753
Atom CD of residue 64
Atom N of residue 43
P4745
P9475
P3075
P6547
P0
Atom C of residue 47
P8030
GeneralizedGuinierPorodFunction 55
P2877
P2780
P7896
P5959
Atom C of residue 38
P3980
P5772
P5418
P12865
P2173
P8439
P4545
P3441
P7880
P6079
P5146
P6052
P3286
P5921
Atom N of residue 37
P8120
P3964
P3108
P4281
Atom CG1 of residue 70
P1
P4555
P5673
P8307
P5210
P4040
P1673
P3
P8244
P5386
P3256
P6392
P5154
P7008
P4092
P3065
Atom N of residue 51
P3346
P3161
ASP
P4193
P7815
Atom CG1 of residue 124
P2170
P1769
P4677
P8344
P8317
P6943
P7563
P3033
P3539
P5211
P2839
P2272
P3715
P5893
P6763
P6661
Atom C of residue 26
P7409
Atom O of residue 47
P4816
Atom NZ of residue 27
P3171
P3347
P26
P7554
P4296
P8511
Atom HG21 of residue 44
P4116
P1725
Atom C of residue 22
P8290
P1
P7629
P2256
P8527
P5895
P7125
Atom HD11 of residue 36
P7037
P11544
P7103
P4561
P4724
P2387
P1763
Atom N of residue 58
P3240
P8211
P5174
P5469
P2817
P4398
P12125
P7722
Atom HZ of residue 4
P7628
P2550
P4156
P5301
Atom NZ of residue 13
P4003
P3817
P5960
P5035
P3212
P2809
P12866
P6537
P8022
LEU
P7195
P3309
P6147
P4584
P13350
P2562
Atom HB of residue 22
P1965
P7311
Atom HD3 of residue 27
P8031
P2423
P2290
Restraint 64
Atom CG2 of residue 70
P7897
P10121
P3888
Atom O of residue 38
P5061
P2965
P5773
P3471
P1868
P2877
P2936
P7881
P6080
P8321
P5884
P4042
P6294
P3975
P61
Atom HG22 of residue 5
P4746
P8245
P7751
P3258
P5674
Atom CG1 of residue 70
P2878
P7009
P3981
P381
P5419
P8528
P5136
P4546
P3442
Atom CD of residue 74
P5147
P6053
P10832
P3287
P2171
P5922
P8121
P3965
Atom N of residue 76
P3109
P4282
P1674
P5212
P5960
P4556
Atom N of residue 18
GLN
P5894
Atom HG2 of residue 11
P1340
P5211
P1754
P0
P4041
P8444
Atom H of residue 27
P5155
P111
P5062
P8512
Atom HG22 of residue 44
P3066
P2472
P3347
P3162
Atom O of residue 57
P8291
P2273
P2812
P12126
P7630
P4194
P1705
P4678
P8345
P8318
P6944
P7564
P3034
Atom H of residue 47
P3540
P7038
P2840
P9476
Model 285
P3716
P2388
P1764
Atom HD2 of residue 19
VAL
P3172
P3348
P7555
P4297
P7816
P7723
P7629
P1770
P4093
P8440
P4117
Atom CZ of residue 74
P5387
P6393
Atom HD3 of residue 29
P7126
P6538
ListSingletonContainer83
P3257
P6148
P13351
Atom CG2 of residue 124
P4562
P4725
P7312
P2174
Atom HE2 of residue 27
P8032
P3241
P4817
P4
Atom HD12 of residue 36
P2781
P10122
P2818
P4399
P6662
P5896
ASP
P4157
Atom OG of residue 57
P5885
P5470
P6295
P4004
P3818
P5036
Atom CG of residue 4
P8308
P3213
P2810
P6764
P12867
P1966
Covariance1DFunction 0
P2291
P8445
P7196
TYR
P3310
P3889
P3282
P4585
P2563
P1341
Atom C of residue 5
Atom HD3 of residue 19
Atom CE2 of residue 45
P11545
P7104
P5961
P2966
P5774
P358
P3472
P2551
P2878
P2937
P8213
P8322
Atom H of residue 70
P7898
P4043
P6054
P10833
P3976
P2257
P0
GLU
GLY
P2424
Atom CA of residue 70
P4747
Atom CB of residue 15
P5302
P5961
Atom CA of residue 52
Atom CA of residue 41
Atom N of residue 33
P5138
P8023
P5212
Atom OE1 of residue 64
P7882
P6081
P2879
P5156
P7010
Model 297
Atom CB of residue 15
P3982
P5675
P5420
P8529
Restraint 3
P4547
P3443
P1726
Atom CB of residue 6
P3288
P2172
GLU
P1706
Atom C of residue 8
P8346
P3966
P3110
P4283
P5175
P9477
Atom CB of residue 22
P5895
P7410
P1755
P4042
P5149
P7817
Atom CB of residue 38
P5063
P3067
P8441
P3348
P3163
P2782
P7752
P5388
P2813
P6394
P7631
P4195
P1765
P4679
P8319
P6945
P3035
P3541
P7039
P2841
Atom H of residue 57
P3717
P4557
Atom CD1 of residue 124
P5923
Atom CA of residue 22
P8309
P8122
Atom NH1 of residue 74
P4818
P3173
P3349
P2274
P4298
P7630
P1869
Atom CA of residue 51
P6663
P5897
P4118
P7724
P1339
P7127
P2175
Atom C of residue 43
Atom CD of residue 13
P4563
P8513
P4726
P1771
P4094
P7565
P3242
ListSingletonContainer135
P2819
P11546
P7105
P4400
Atom CG of residue 15
P5962
Atom CD2 of residue 4
P2389
P7313
P4158
P1675
P8323
P5213
P5886
P4005
P7556
P3819
P3214
P2811
P6765
P1
Atom HA2 of residue 47
P1727
P8446
P5303
P3311
P10123
P3283
P4586
P2580
LYS
P5139
P8024
Atom OE2 of residue 64
P7883
P6082
P8248
P5176
P3890
P2967
P3473
P2552
P2879
Atom N of residue 20
P2938
P4548
P2425
Atom C of residue 70
P2292
Atom CG of residue 15
Atom CD of residue 27
P4044
P10834
Atom HE3 of residue 29
P3977
Atom C of residue 52
P1329
P2474
P8033
P1381
P4748
P5037
Atom HB2 of residue 42
P12869
P7411
P6539
Atom HA of residue 70
P2880
P7197
P7899
P5471
P5962
P6055
P12127
Atom CG of residue 38
P3983
P5064
P5421
P1967
Atom O of residue 43
P3444
P13352
P3289
P8514
P5775
P1761
P8320
P6946
P1756
P3967
P3111
P4284
P9478
P6296
P4558
P5924
ScoreState 23
Atom CA of residue 58
P8123
P4043
P8212
P5214
P2173
P2258
P1870
P3068
P3349
Atom HG3 of residue 27
P3164
P7753
P2814
Atom O of residue 52
P7011
P4196
P7818
Atom C of residue 42
P5896
P4680
P3036
P3542
P2842
P3718
P5676
P8310
Atom C of residue 51
P7566
P2783
P3174
P3350
P6
P4299
Atom HG22 of residue 9
P8530
P6664
Atom CA of residue 76
P4119
P7557
P2564
P6766
P7128
P6540
P5213
Atom HA3 of residue 47
P10124
P3259
P7632
P4564
P4727
P2679
P5898
P8442
P3243
P1676
P7040
P8249
P2820
P11547
P7106
P4401
P8338
Atom C of residue 41
P8347
P8025
P4159
P5148
P6297
P4006
P3820
P5157
P5963
P1707
P7631
P3215
P8034
P5389
P3312
P6395
P4587
P13353
P112
P5038
Atom HB3 of residue 42
P5140
P1442
Atom HB of residue 70
P7900
P5177
P2275
P6056
P7725
P2968
P3474
P4095
Atom CB of residue 37
P7412
P2880
P2939
P4549
P1728
P7884
P4819
P6083
P1382
P4045
P3978
Atom CA of residue 19
P5776
P4749
Atom CE of residue 27
P5887
P106
P3891
P3284
Atom CD of residue 38
P1345
ListSingletonContainer9
Atom CB of residue 13
P1762
P1968
P7314
P2881
P7198
P1
P5472
P12128
P3984
P5065
P5422
P2390
P5214
P3445
Atom O of residue 74
Atom N of residue 33
P7754
Atom HG2 of residue 29
P7012
P3290
Atom CB of residue 9
P8515
Atom HZ1 of residue 11
P5897
Atom C of residue 58
P2176
P3968
P8443
Atom CB of residue 43
P3112
P8214
P4285
P8447
Atom C of residue 57
P10835
P4559
Atom CA of residue 125
P2174
P5925
P2259
P8124
Atom HD2 of residue 27
P4044
P8324
Atom HB2 of residue 25
P5215
P8250
P5304
P5158
Model 321
P1871
P8531
P2553
P3069
P2475
P2680
P3350
Atom O of residue 70
P2293
P3165
P7041
P5390
P2815
P6396
P4197
P2565
P12868
P4681
P8348
Atom HE3 of residue 27
Restraint 172
P3037
P3543
P2843
P5963
P3719
P7633
P1708
P5677
P359
P7567
Atom HA of residue 39
Atom C of residue 76
P2426
P4820
P3175
P3351
P4300
P8339
P5066
P4120
Atom CA of residue 33
P5150
P7558
P7632
P7129
P6541
P8035
P2784
LEU
P1346
P4565
P4728
Atom HG2 of residue 42
Atom CA of residue 33
P3244
P42
P10125
P2821
P4402
P7819
P8312
P6767
P7413
P8321
P2170
P6947
P4160
P1757
P9480
P6298
P4007
P3821
Atom CB of residue 52
Atom O of residue 41
Atom OG1 of residue 14
P3216
P6665
P2
P5888
P5305
P3313
P4588
P13354
P5039
Atom O of residue 8
P5141
P2177
P5473
P3
P7726
P2969
P3475
P1772
P4096
P5899
P2881
P2940
P4550
P8325
P7199
P4046
P6057
P11548
P3979
P7107
Atom O of residue 58
P8026
Atom HB3 of residue 39
P8215
P4750
P8448
P10836
P3285
Atom C of residue 125
Atom CA of residue 38
P7315
Atom CG of residue 64
P4837
P2882
Atom HD21 of residue 25
Atom H of residue 25
P3985
P5964
P383
P5777
P5423
P360
P2171
P5215
P3446
P1677
P5179
P3892
P7013
P3291
Atom HG3 of residue 2
P2391
P12870
P3969
P8444
Atom CA of residue 43
P1729
P3113
P4286
P2276
P3260
P6921
P4560
Atom OG1 of residue 9
P5678
P0
Atom O of residue 76
Atom CB of residue 70
P7885
P4045
P6084
P7755
P5159
P5898
P2554
P3070
P2476
P2681
P3351
Atom HD2 of residue 27
Atom C of residue 33
P3166
P7042
P7901
P5391
P2816
P6397
P4198
P2260
P2566
P4682
P8349
P8322
P6948
Atom H of residue 61
P3038
P3544
P2427
P2844
Atom CG of residue 13
P5964
P3720
P7634
Atom C of residue 9
P1872
Atom HZ1 of residue 27
P3176
P8266
P3352
P5151
P4301
P5067
P6768
P2172
P8125
P4121
P2785
Atom CG of residue 52
P12129
P1709
P8516
P6920
P7633
P6666
Atom C of residue 33
P7130
P1441
P1340
Atom HG2 of residue 18
P4566
P5927
P4729
P8532
P5142
P1969
P1758
Atom HG12 of residue 13
P3245
P2294
Atom HG13 of residue 70
P5216
P2822
P4403
P7820
P7727
Atom CG2 of residue 14
P5900
P7568
P4161
P4008
P3822
P11549
P7108
P2175
P3217
Atom CG of residue 38
P1383
P5889
P5306
P3314
P7559
P4589
Atom O of residue 125
P1698
P8340
P1773
P2392
P7316
P6542
P4838
Atom HB3 of residue 25
P3261
P2970
P3476
P2882
P8027
P2941
P8036
P1678
P8326
P4047
P3980
P12130
P113
Atom CA of residue 119
P12871
P2178
P4551
Atom C of residue 20
P8216
P4751
P5474
P10126
P6299
P10837
P3286
P6922
P50
P8311
Atom HG3 of residue 42
P1311
P2883
P7200
P7756
P13356
Atom C of residue 18
P3986
LYS
P5965
P5040
P386
P5424
Atom H of residue 61
Atom HD3 of residue 27
P3447
P1730
P7902
P2277
P3292
Atom HG3 of residue 18
Atom HD13 of residue 3
Atom CG of residue 11
P8533
P3970
P1341
P3114
P4287
Atom HG21 of residue 70
P5965
P6544
P7886
P4046
P6085
P0
P3353
P6058
P3893
Atom CB of residue 41
P2555
P3071
P2682
Atom HG22 of residue 66
P8126
P3352
P3167
P8449
P2817
P4199
P8341
P8517
P6921
P5778
P2567
P5679
P1873
Atom O of residue 33
P4683
P8323
P6949
P1572
P3039
Atom H of residue 76
Atom O of residue 20
P3545
P2845
P3721
P7014
P4561
P6667
P1970
P4821
P1384
P5217
P3177
P5178
P5152
Atom N of residue 73
P4302
P12131
P7821
P2477
P7414
P7569
P5216
P4122
P5160
P5899
P6769
P7131
P8445
P2295
P8251
P5392
P9481
P6398
P7560
P4567
P5928
P4730
Atom C of residue 119
Atom CB of residue 13
P8351
P3246
P2823
P4404
P7635
Atom CG2 of residue 13
P2176
P1710
P5901
Atom HA of residue 38
P4162
P8037
P2428
P7043
P4009
P3823
P11550
P7109
P1699
P52
P2261
P3218
P2053
Atom HA of residue 37
P62
P5475
P3315
P6300
P4590
P7728
Atom N of residue 125
P7634
Atom HD2 of residue 42
P8450
P5966
P5041
P2971
P3477
P7415
P2883
P8028
Atom HA of residue 61
P7
Atom CG of residue 37
P4048
P3981
P5069
Atom CG of residue 41
P8313
Atom CD of residue 11
P7317
Atom HZ2 of residue 27
P2180
P1906
P4552
P8217
P4752
Atom ND2 of residue 25
P10127
P3287
P6923
Atom N of residue 13
P1573
Atom OD1 of residue 39
P7887
P6086
P1679
P2884
P7201
P2786
P5890
P5307
P3987
P5425
P12872
Atom HG23 of residue 66
P1759
P2942
P3448
Atom HB2 of residue 32
P7757
Atom N of residue 19
P3293
P6922
P5779
P5680
P8534
P5143
P3971
Atom HA2 of residue 76
P3115
P4288
P8328
P7903
P0
P3
P64
P3262
P7015
Atom N of residue 19
P6545
Model 186
P4047
Atom HG22 of residue 70
P3354
P6059
P10838
P1143
P51
P3072
P2683
P8127
P5217
P3353
P3168
P2818
P5966
P5161
P4200
P8342
P5900
P4684
P3040
P8446
P3546
P4822
P0
P1438
P2846
P5393
P5180
P9482
P2278
P6399
P3722
P13355
P4562
Atom N of residue 3
P5929
P1666
Atom CB of residue 59
VAL
Atom CB of residue 20
P3178
P5153
P4303
P7636
Atom CB of residue 8
P7570
P4123
P7044
P1971
P7132
P1
Linear1DFunction 38
P7561
P7822
P1711
P4568
P4731
P7635
P8325
P2149
P6951
Atom HZ3 of residue 27
P2181
P1731
P2429
P3247
P3894
P2824
P4405
P8518
P1144
P8314
P1774
P6668
P7416
P4163
Atom HB of residue 61
P2296
P4010
P3824
ARG
Atom CD1 of residue 13
P3219
P7318
PairScore 12
P4553
P8038
P8218
P5218
P59
P3316
P10128
P4591
Atom HG13 of residue 17
P2478
P2393
P5144
P8451
P8252
P5891
P5308
P5476
P5042
Atom CD of residue 41
P2972
P3478
P1874
P2556
P6770
P2884
P1760
P1907
Atom HG2 of residue 27
Atom CG of residue 25
P4049
P3982
Atom CG of residue 59
P5902
GLU
P8350
Model 163
P4753
P3288
P11551
P6924
P7110
P5967
P384
Atom HE3 of residue 33
P2885
P9483
P6060
P10839
P3988
Atom H of residue 3
P1145
P2262
P5426
P12873
P2943
Model 29
P3449
Atom HA of residue 8
P0
P2787
P5967
P3294
P2177
P77
P6923
P5780
P8029
P3972
P3116
P7888
P4823
P6087
P4289
P1680
P5181
Atom CB of residue 13
P108
P7016
P7729
P8519
P5681
P4048
Atom HG11 of residue 70
Atom OE1 of residue 34
P3355
P5154
P6301
P12132
P5068
P2684
P1574
P3354
P3169
P7202
P7904
P2819
P13357
P4201
P1700
P1667
P5901
P8315
P1775
Atom HB2 of residue 38
P4685
P3041
P3547
P2847
P3723
P4563
P7823
Atom HZ1 of residue 33
P5219
P3179
P7758
P4304
P7637
P114
Atom CA of residue 17
P1313
P3073
P2479
P6547
P4124
P8327
P1385
P7045
P2279
P3263
P5930
P8535
P7133
P8128
P2320
P1732
P1
PRO
P4569
P4732
P7636
P2394
P6669
P2150
P5218
P3248
P8254
Model 60
P2825
P11552
P4406
P1972
Atom N of residue 28
P4164
P8447
P23
P4011
P3895
P3825
Atom HG21 of residue 17
P7730
P8343
Atom HB2 of residue 4
P3220
P5903
Atom CA of residue 51
P7417
P7571
Atom OE2 of residue 34
P3317
P6302
P4592
P5162
P7111
P5968
P315
Atom HG23 of residue 9
P5145
P7319
P0
P2052
Atom HG3 of residue 27
Atom OD1 of residue 25
P5892
P5394
P6400
P7562
P2973
Atom OD1 of residue 59
P1
P3479
P2557
P6771
P12874
Atom HB3 of residue 38
P8352
Atom N of residue 67
P2885
P4050
P10129
P3983
P2178
P1875
P8324
P6950
P8030
P0
P7889
P6088
P4754
P3289
P6925
P1701
P2263
P2886
P9484
P10840
P12133
P3989
P5427
P2944
P3450
P8039
P1681
P7905
P13358
P3295
P5043
P1712
P3973
P1346
P4554
P3117
P4290
P1386
Atom HG12 of residue 70
P5182
P5477
P5968
P6061
Atom HG22 of residue 12
P8520
P8448
P2430
P4049
P2320
P8452
P3356
Atom CG of residue 20
P0
P2685
Atom CA of residue 67
P1575
P5219
P3355
P8219
P3170
P7203
P5309
P2820
P3264
P5163
P4202
P8536
P4686
Atom O of residue 73
P8129
P3042
Atom CG1 of residue 5
P3548
P8563
P2848
P5395
P6401
P3724
P4564
Atom CA of residue 19
P6924
P5781
SingletonConstraint 2
P5220
P2788
P7759
P7017
P4305
P7824
P4943
Atom CB of residue 42
Atom HD3 of residue 42
P3074
P4125
P4824
P3896
Model 294
Atom HG3 of residue 1
P8344
Atom HB3 of residue 4
Atom HD2 of residue 11
P5682
P2395
P7134
P7572
P8330
Atom CA of residue 74
P4570
P4733
P5902
P6670
P1973
P1761
P3249
P7
P5
P8255
P2280
P2826
P7563
P11553
P4407
Atom CB of residue 50
P6772
P8353
LYS
P1576
P4165
P2
P3
P10130
P4012
P3826
P7638
P8316
P3221
P5904
P1347
P2431
Atom N of residue 60
P7046
P3318
P5155
P6303
P4593
Atom OE2 of residue 18
P7112
P1668
P6546
P2179
P8220
Atom CE1 of residue 68
P5310
P9485
P5969
P79
P2974
P7637
P3480
Atom HE of residue 42
P2558
P6952
P2886
P1908
P1733
P4051
P3984
P12134
P5044
P5931
Atom HG2 of residue 38
P8031
P4755
P6062
Model 286
P3290
P8328
Atom CB of residue 73
P7890
P6089
P2887
P8453
P3990
P2179
P5428
Atom HG3 of residue 31
SingletonModifier 2
P5147
P7418
P2945
P3451
P8040
P5893
P13359
P3296
P1702
Atom CG of residue 8
Atom C of residue 51
P7320
P3974
P4555
P3118
P4291
P7204
P5183
ListSingletonContainer85
P5478
P7731
P1713
P6925
P5782
Atom HZ2 of residue 33
P2480
P2396
Atom C of residue 67
P8449
P4050
P3357
P7760
P6926
P7018
P4944
P1
Atom HG23 of residue 12
P2264
P1876
P2686
P5220
P1762
P3356
ASN
P4825
P2297
P3171
P2821
P10841
P5164
P4203
Atom HE22 of residue 2
P4687
P8130
P3043
P3549
P8331
P2849
P2789
P5396
P6402
P3725
P4565
P5903
P1776
P12875
Atom O of residue 22
P1737
P5156
P4306
Atom CG of residue 50
P5932
P3075
Atom CA of residue 27
P4126
P5969
P7639
Atom C of residue 74
P385
P5683
P8317
Atom O of residue 51
P7135
P7573
P1577
P1909
P7047
P7906
P4
P3265
P115
P4571
P8521
P4734
P3250
P1
Atom NE2 of residue 68
P8256
P3897
P2827
P7564
P4408
P82
P7638
P8537
P8354
P6953
P4166
P5222
P4013
P3827
P12135
P1132
P1669
P3222
P1684
P3319
P10131
P4594
P7825
P5045
P316
Atom CD1 of residue 8
P6773
P8329
Atom CG of residue 73
P2298
Atom H of residue 34
P5311
P8345
P2975
P3481
P2559
P6671
P2887
P8041
Atom CD2 of residue 50
P5894
P4052
Atom HA of residue 44
P3985
Atom C of residue 2
P4945
P2324
P4556
P8221
P1387
Atom CB of residue 54
P4756
P5184
P9486
Atom O of residue 13
P5479
P3291
P7732
Atom HE21 of residue 31
Atom HZ3 of residue 33
P5905
P6543
ASP
P1734
P2432
P2888
Atom H of residue 5
P6063
P6304
P11554
P6927
P7113
P3991
Atom C of residue 19
P5429
Atom O of residue 15
P1777
P2481
P12876
P7419
P2946
P3452
Atom CB of residue 64
P2
P10842
P13360
P3297
Atom HG2 of residue 54
Atom HG13 of residue 3
P7321
P3975
P3119
P4292
P2281
P5970
P2180
P6926
P5783
Atom HH11 of residue 42
P1877
P8538
Atom CD of residue 38
P8032
P4051
P3358
P7019
P1703
P2687
P3357
Atom HA of residue 50
Model 249
P3172
P7205
P2822
Atom HG12 of residue 44
P4204
Atom O of residue 74
P5684
P4688
P3044
Atom HG12 of residue 61
P3550
Atom CA of residue 60
P7891
P6090
P8456
P2850
P7907
P7761
P3726
P4566
Atom CB of residue 3
Atom CD1 of residue 50
P8346
P8522
P2265
P5904
P5146
P1976
Atom OE1 of residue 18
P1763
P8257
P5157
P4307
Atom HZ3 of residue 11
P4127
P4826
Atom CD of residue 64
P5970
P7640
Atom HD2 of residue 54
P1714
P2132
P7136
P5222
P3
P7048
P5165
P4572
P4735
P6774
Atom O of residue 67
P8131
P8450
P3251
P1388
Atom HA of residue 34
P5397
P6403
P2828
P4409
P7639
P6672
P8355
Model 144
P6954
P4167
Atom N of residue 18
P1685
P4014
P3828
P3223
Atom CB of residue 51
Atom CG of residue 54
P1590
P9487
P3320
P2812
P2397
P5906
P7574
P6305
P11555
Atom HB3 of residue 25
P7114
P7733
Atom O of residue 15
P2976
P3482
P1989
P7420
P2888
P1578
Model 381
P5895
Atom O of residue 16
P4053
P7565
P13361
P3986
P7826
P4946
P5933
P7322
Atom H of residue 30
P4557
P8329
P4757
P2790
P3266
P3292
Atom O of residue 19
P1823
Atom HH12 of residue 42
Atom HG23 of residue 26
P8033
P8042
P2433
P2889
P8457
P5221
P1738
P6928
P3992
P1704
P5046
Atom HD2 of residue 6
P5430
P12877
P2947
Atom CA of residue 21
P3453
P5312
P2282
P5480
P10132
P10843
P3298
P2181
P2560
P3976
Atom HG13 of residue 61
P3120
P4293
P7762
P3898
P5971
P1330
P8539
P3282
P1910
GLU
Atom HB2 of residue 50
P4052
P8223
P3359
Atom HG13 of residue 44
P1133
P2688
P3358
P4827
P3173
P7206
Atom OE1 of residue 64
P2823
P5971
P4205
P5148
P4689
P1977
P3045
P3551
P7892
P6091
P2851
P6064
P3727
P5166
P4567
P8347
P2482
P8326
Atom CB of residue 67
P8132
P8451
P1735
P2299
Atom H of residue 68
P7908
P5398
P6404
P4308
Atom CB of residue 74
P1715
P6927
P5784
P5685
P8356
P4128
P5185
Atom HD22 of residue 25
P7020
P12136
Atom CD2 of residue 50
P2266
P8468
P7137
P1764
P4573
P4736
P1670
P7575
Atom C of residue 60
P3252
P2791
P110
P2829
P4410
Atom CB of residue 15
P1134
Atom HE22 of residue 31
P5905
P6775
P6673
P1990
P6955
P4168
Atom CD of residue 54
P1316
P1591
P1739
Atom N of residue 17
P5159
P4015
P7566
P3829
P7827
Atom HA of residue 4
P8523
P5934
P3224
P1389
P3321
P7641
Atom N of residue 10
P1878
P2813
P5907
P8043
P7049
P9488
P11556
P7115
Atom CG of residue 74
P2977
P3483
P2889
Atom HB of residue 30
P5221
P5313
P2283
P4054
P5481
P3987
P12137
Atom H of residue 50
Atom HD2 of residue 19
Atom ND2 of residue 39
P317
P7640
P4558
P2434
P4758
P5223
P3293
P5972
P5047
P78
P5149
P7421
P8034
P1911
P2890
P8458
P8253
P5896
P3267
P3993
P1135
P5431
P8469
P7323
Atom N of residue 27
P2948
P3454
Atom HA of residue 68
P10133
P3899
P3299
P7734
P116
P3180
P1778
P2561
P2483
P2398
Atom CG of residue 51
P3977
P3121
P7893
P6092
P4294
P1682
P5186
Atom N of residue 32
P3283
P4053
P3360
P7763
P8524
P6928
P5785
P1671
P5686
P2689
P3359
Atom CA of residue 18
P4828
P3174
P2824
P6306
P6929
P7021
Atom HE1 of residue 1
P4206
P4947
Atom HD3 of residue 19
Atom N of residue 40
P12879
P4690
P3046
P3552
P2300
P2852
Atom CA of residue 76
P10844
P3728
P4568
P8327
P8133
P5972
P13362
P4309
P5906
P1879
P6956
P1827
P1765
P4129
P1736
Atom OD2 of residue 58
P6065
P7138
Atom O of residue 60
P8222
P7207
P7909
P7642
P8239
P4574
Atom CD1 of residue 15
P5935
P4737
GLY
P8540
P7576
P3253
P1826
P7050
P2830
P4411
P2182
Atom CB of residue 19
P1136
Atom HH21 of residue 42
P1974
P4169
Atom HA of residue 13
P1
P3268
P4016
P7567
P3830
P12138
P7828
P1705
P7641
P3225
P8452
Atom CB of residue 50
P5224
P2792
Atom C of residue 13
P3322
P8348
P1779
P2814
Atom CD of residue 51
P1991
P7422
P5223
P1912
Atom HG21 of residue 61
Atom NE of residue 54
P5897
P6307
P5167
Atom HA of residue 50
Atom HA of residue 54
P2978
Atom CD of residue 42
P3484
P7324
P2890
P8044
Atom HA of residue 58
P1390
P8454
P5399
P4055
P10134
P6405
P3988
Atom CD of residue 74
P6674
P4759
Atom CA of residue 64
P5482
P3294
P5048
P6776
P5150
P8357
P2891
P1740
P5158
P3900
Atom H of residue 44
P3994
Atom HG3 of residue 2
P1716
P2267
P2313
P5432
GaussianProcessInterpolationRestraint 38
P5908
P8470
P2949
P3455
Atom HB2 of residue 48
P13363
P11557
P6930
P7116
P3300
P7735
P5973
P4948
P3181
P2562
P3978
P4559
P3122
P4295
P0
Atom HB2 of residue 68
P5187
P9489
P2284
P10845
Atom HH22 of residue 42
P3284
P4054
Atom CZ of residue 54
P3361
P5973
P8525
P6929
P5786
P5687
P2803
P8035
P8453
P3360
P1737
P7894
P4829
P6093
P1683
P3175
P2825
Atom C of residue 76
P6066
P7022
P4207
Atom CG of residue 19
P4691
P1
LEU
P3047
P3553
P2853
P7910
P5314
P3729
P5168
P4569
P8240
Atom N of residue 20
THR
Atom HD12 of residue 8
P8541
P5400
P6406
Atom H of residue 25
P4310
P1137
P5907
P1880
P2399
P4130
P2435
P8224
P7829
P1706
P7139
Atom HG12 of residue 30
P7208
P1592
P7764
P7643
P8349
P2183
P1717
P4575
P4738
P4803
P5224
Atom HG22 of residue 61
P3254
P8455
P7051
ListSingletonContainer86
P2831
P4412
Atom H of residue 4
P12878
P8134
P4170
P2301
P1
P4017
P3831
Atom HE21 of residue 2
P7642
P3226
P6675
P0
P8358
Atom HB of residue 23
Model 267
P5225
P3323
P12139
P2815
P1975
Atom HB1 of residue 46
Atom HB2 of residue 58
P6308
P5936
P1138
P2979
P3485
P5909
P7423
PairScore 0
P2891
Atom O of residue 17
P7577
Atom HD22 of residue 71
Atom HB3 of residue 48
P2793
P5315
P4056
P11558
P3989
P7117
P7736
P5974
P54
P1992
P7325
Atom CB of residue 60
P1392
P4760
P5898
P5160
P3295
P7568
P2268
P1784
P6777
P1
P6957
P1766
P2892
P10135
P3995
P5433
P2484
P1447
P8036
Atom HG13 of residue 30
P2950
P3456
P7895
P4830
P6094
P13364
P6931
P3301
P4949
P3182
P2563
P5151
P0
P3979
P1913
P4560
P3123
P4296
P9490
Atom OD2 of residue 18
P10846
P3901
P8241
P1672
P3285
P8045
P4055
P1593
P3362
Atom CA of residue 88
P117
P5049
Atom CD of residue 19
Atom N of residue 43
P2400
P8454
P3361
P1332
P8225
Atom NH1 of residue 54
P3176
P2826
P5483
P5974
P6067
P4208
Atom NE of residue 74
GaussianProcessInterpolation70
P1881
P4692
P3048
Model 395
P3554
P2854
P1741
P3730
P5169
P4570
P8359
P4804
P2436
P4
P7209
P5401
P5189
P2285
P6407
P4311
P1139
P318
P8471
P8135
P4131
Atom HB2 of residue 50
P6930
P5787
P5688
P7140
Atom HB3 of residue 68
P7765
P7023
P7830
P4576
P4739
P12880
P2651
Atom HE2 of residue 48
P5225
Atom HB2 of residue 46
P3255
P2302
P2832
Atom CB of residue 34
P4413
P8526
P6958
P7578
P4171
P3269
P4018
P3832
P5908
P3227
P8542
P6676
P5415
Atom CG of residue 60
P5226
P3324
P5161
P7569
Atom HG21 of residue 5
Atom N of residue 3
P2269
VAL
P2816
P2485
P6778
P1767
P2794
P7911
P10136
P7644
P1718
P5937
P2980
P1673
P3486
P5910
P1993
P2892
P7052
P5316
Atom C of residue 16
P4057
P11559
P3990
P7118
P8350
P2184
P1785
P5152
P2
P4761
P9491
Atom CB of residue 76
P3296
P5975
Atom HG22 of residue 9
Atom H of residue 69
P7643
P1782
P1448
P2893
P3996
P5050
P1140
Atom O of residue 4
P5434
Atom CB of residue 17
P8037
P1914
P2951
P1
P3457
P109
P6068
P6309
P12140
P3302
Atom CZ of residue 74
P1707
P3183
P2580
Atom HB2 of residue 1
Atom HZ1 of residue 48
Atom H of residue 61
P3980
P4561
P5416
P3124
P7896
P6095
P4297
P4664
P4097
P1742
PairPredicate 8
P7424
P4805
P3286
P8046
P4056
P1393
P5899
P3363
P7737
P8543
P8472
P7326
P3362
Atom HD23 of residue 71
P8226
GLN
P3177
P2827
P5484
P4209
Atom HB3 of residue 50
P6931
P5788
P5689
P4693
P3049
P3555
P2855
P7766
P3731
P13366
P6932
P7024
P4571
P4950
P12881
Atom HG23 of residue 61
P10847
Atom CD of residue 34
P4312
P8351
P8527
P8136
P4132
Atom CB of residue 58
P3270
P2
P5909
P7141
P5417
P7210
P5227
P3902
Model 298
P8238
P4577
P4740
P2401
P2652
P5226
P3256
P2303
Atom HD1 of residue 68
P7912
P5975
P2833
P5170
P4414
P7645
P5938
LEU
P0
P8360
P6959
P7579
P4172
P8455
Atom OD1 of residue 60
Atom NH2 of residue 54
Atom HG2 of residue 48
P7053
P5402
P6408
P4019
P3833
Atom H of residue 4
Atom H of residue 3
P3228
P4831
P5188
P2286
P3325
Atom SG of residue 76
P5162
P7570
P1708
P1825
Atom HA of residue 69
P7644
P2817
P2185
P1719
P1309
P2981
P3487
P2564
P2893
P5318
P4058
P10137
P6310
P3991
P7831
P7738
P6779
Atom CA of residue 14
P4762
P4098
P3297
P1141
P2403
P6677
P4806
P8047
P2437
P2894
P5900
ListSingletonContainer169
P3997
P5051
Atom N of residue 10
P2270
P5435
P1783
P2952
P5418
P3458
Atom CA of residue 62
P9492
P5485
P12141
P3303
P3184
P8232
P5911
Atom CA of residue 42
P3981
P0
P4562
P3125
P4298
P1394
P4665
P6069
P11560
P6933
P7119
P4951
P7425
Atom HZ2 of residue 48
P3287
Atom HD11 of residue 61
P4057
P2795
P3364
LYS
P10848
P8544
P1786
P7327
Atom HA of residue 30
P3363
P4832
P8227
P3178
P1594
P5319
P2828
P4210
P5976
P6932
P5789
P5690
P4694
P8038
P3050
P3556
Model 203
P2856
P3732
P7025
P4572
Atom CE1 of residue 4
P12882
P5227
P1768
P1915
Atom HB3 of residue 46
P3271
P5171
P4313
P8352
Atom CA of residue 43
P5153
P8361
P1449
P8456
P4133
P7897
P6096
Atom H of residue 54
P1743
P7767
P5403
P5976
P6409
Atom O of residue 37
P5910
P8233
P1994
P4807
P7142
P7211
P0
P4578
P4741
P1146
P319
P2486
P8473
P2653
Atom N of residue 72
P3257
Atom HG3 of residue 48
P2834
P4415
P7646
P2565
P4173
P2438
P7054
P7913
P5190
P2287
Atom N of residue 77
P4020
P1
P3834
P13365
P3229
P6780
P8137
P3326
P5163
P118
P1720
P8528
P7645
P2818
P6678
P1769
P1
P5419
Atom ND2 of residue 60
P2982
P3488
P2
Atom C of residue 14
P2894
CHARMMStereochemistryRestraint1
P9493
P4059
P3903
P3992
P12142
P7832
P1709
P1674
P8234
P2402
P5912
P6961
P7580
P4763
P4099
P1595
P3298
P11561
P7120
P5939
P1147
P7426
Restraint 161
Atom HD2 of residue 68
P5901
Atom CA of residue 13
P112
P7571
P6934
P3998
Atom HB3 of residue 2
P5436
P8362
P7328
P2953
P3459
P8228
P5228
P3272
P3304
P3185
P1882
P8474
P5154
Atom HD13 of residue 23
P1451
P8039
P3982
P4563
P3126
P8048
P4299
P4666
P4952
P1787
P3288
P1916
Atom N of residue 47
P4058
P3365
P5317
P5486
P10138
P5977
P10849
Atom OE1 of residue 34
Atom HG of residue 43
P2487
Atom HG13 of residue 70
P3364
P4833
P2304
P3179
P2796
P7768
P2829
P4211
P5052
P8529
P2271
P8235
P4695
P4808
P3051
P3557
P2857
P6311
P3733
P4573
P12883
Model 5
ARG
P7
P4314
P5977
P2186
Atom HG2 of residue 2
Atom HB2 of residue 69
P1995
Atom HA of residue 51
P4134
P7898
P6097
Atom C of residue 62
P5191
P6070
P7143
P8138
P5164
P136
P7739
GLY
P4579
P4742
P1148
P6933
P5790
P1675
P5691
P1780
P2654
Atom HZ3 of residue 48
Atom H of residue 60
P3258
P2835
P13367
P4416
P7026
P5940
P8545
P2566
Atom N of residue 24
P4174
P8199
P4021
P3835
P7833
Atom CG of residue 2
P8236
P3230
P7581
P1770
P5229
ListSingletonContainer165
P3327
P5912
P1883
P2819
P6781
P6679
P8458
P5420
P2439
P7212
Atom HE1 of residue 68
P7914
P1744
P2288
P7572
P8353
P2983
P5
P3489
Covariance1DFunction 42
P4060
P6312
P5172
P3993
P7647
P5913
P5228
P8049
P4764
P4104
P7055
P5404
P9494
Atom O of residue 76
P6410
P3904
P3299
P11562
P7121
Atom HD12 of residue 61
Atom HB3 of residue 51
P0
P5487
Atom OE2 of residue 34
P12143
P3999
P1710
P2
P5437
P7646
P2954
P3460
P2305
P3305
P5053
P3186
P1337
P8475
P5155
P7427
P8040
P3983
P4564
P3127
P4300
Atom O of residue 62
P1391
P4667
P1788
P12884
P7329
P3289
P4059
P3366
Atom N of residue 20
P10139
P5978
P2187
Atom N of residue 5
Atom CA of residue 10
P6934
Atom HB3 of residue 69
P1781
P6960
P3365
Atom C of residue 70
P7899
P6098
Atom HD2 of residue 48
P5902
P2830
P6935
P4212
Atom HD11 of residue 43
P1721
P8530
P8237
P4696
P3052
P8459
P3558
P8200
P2858
P7769
P3734
P4574
P55
Atom HG1 of residue 22
P5791
P5692
Atom N of residue 49
P1452
P1324
P13368
P5173
P7027
P4315
PHE
P4953
P8546
P0
P4135
P5405
P5192
P6411
P6071
P10850
P1157
P1338
P7144
P8139
P4834
P4580
P4743
P2488
P2655
P5229
P3259
P8229
P7915
P1745
P2836
P4417
P7747
P8354
P2272
P2567
P4175
P4022
P3836
P7648
P1722
P3231
P1989
P7582
P5230
P7056
P2797
P3328
P3273
P5913
P2820
P1996
P2546
P1917
Atom CA of residue 72
P7213
Atom HD3 of residue 48
P5830
P7573
P12144
P7834
P2984
P7647
P3490
P3
Atom HE1 of residue 4
Atom HG2 of residue 74
Atom N of residue 13
P4061
P6313
P3994
P119
P1158
P56
P2404
P7428
P4809
P2440
P4765
P4105
Atom OE1 of residue 18
Atom NE2 of residue 121
P3300
P1711
P7330
Atom HG23 of residue 23
GLY
P8050
P2306
P1596
ListSingletonContainer87
P10140
P5978
P7740
Atom O of residue 12
P4000
Atom HG22 of residue 22
P5438
SingletonScore 16
P6680
P1771
P2955
Atom HH12 of residue 72
P3461
P5903
P5488
P5165
P3905
Atom HZ of residue 4
P3306
P5054
P320
P3187
P6782
P3984
P4565
P3128
Atom O of residue 9
P4301
P4668
Atom C of residue 10
P5914
P6962
P3290
Restraint 21
P4060
P3367
P2289
P11563
P6936
P7122
Atom CA of residue 45
P5979
P4954
ListSingletonContainer11
P6935
P3366
P8230
P9495
P2831
P6072
P10851
P4213
P5941
P1159
P4697
P3053
P8460
P3559
P4835
P8201
VAL
P2859
P3735
P4575
P2188
P2107
P5792
P5693
P5157
P8041
Atom HD13 of residue 61
P5421
P7900
P6099
P2798
P13369
P5174
P7028
P4316
P1789
P1918
P4136
Atom HG22 of residue 13
P5406
P5193
P6412
Atom HB3 of residue 42
P8476
P7145
P1453
P4581
P2547
P4744
P2273
P5914
Atom O of residue 43
P2656
P5230
P3260
P5831
Atom N of residue 122
P2837
P4418
P7835
P1676
P1884
Restraint 141
ListPairContainer 0
P8140
P4176
Atom O of residue 67
Atom HG3 of residue 74
P7214
P1597
P7770
P4023
P3837
P7649
P7741
P8531
P2103
P57
P3232
P12885
P1997
P4810
Atom C of residue 72
P7057
P3329
P5166
P8547
P2821
P1320
Atom CA of residue 47
P5979
Atom HE2 of residue 63
P2985
P7648
P3491
P6681
P2568
P2441
Atom HE2 of residue 48
Atom HD11 of residue 3
P4062
P3274
P3995
P12145
Atom HG3 of residue 42
P2489
P5422
P4766
P3301
Atom CG of residue 34
Atom HD12 of residue 43
P8355
P5915
P7429
P6963
P7583
P1772
P5232
P11564
P7123
P4001
P5980
P5942
P5439
Atom HD12 of residue 69
P7331
P2956
P3462
Atom CG of residue 67
Atom CB of residue 62
P7916
P5904
P130
P7574
P3307
Atom HG23 of residue 22
P3188
P3985
P4566
P3129
P2307
P4302
P4669
P10141
P6314
P1142
P3291
P8042
Atom OE1 of residue 51
Atom HB of residue 22
P7901
P4061
P6100
P8197
Model 73
P3368
P3906
Atom HE3 of residue 63
P6937
P4955
Atom HG23 of residue 70
P1790
P6783
P3367
P8231
P5194
P9496
P2832
P10852
P4214
P7742
P2108
Atom HG23 of residue 9
P1677
P1885
P8548
P8477
P4698
P3054
P8457
P3560
P8051
P2860
P1746
Atom CA of residue 16
P3736
P4576
P5055
P12886
Atom HG22 of residue 12
P5832
P5489
P6073
P13370
P4317
P1454
P8141
P4137
P5423
P131
P1712
P8356
P2189
P8532
P2405
P4811
P7146
Atom O of residue 14
Atom O of residue 72
Atom HG23 of residue 13
P2799
P2290
P4582
P4745
P58
P2657
P1919
P3261
P5980
P2838
P4419
Atom CB of residue 45
P6936
P5793
P5694
P4177
P7771
ALA
P4024
P3838
P5175
P7029
P7836
P2274
Atom HD13 of residue 69
P3233
P2490
P5156
Atom N of residue 62
Atom C of residue 47
P5407
P111
P3330
P5167
P6413
Atom CD of residue 37
Atom HD13 of residue 43
P2822
Atom HE3 of residue 48
P7584
P4836
P7215
Atom CG2 of residue 61
Atom HD2 of residue 42
P1723
P5943
P2986
P3492
P6682
P2569
P5232
Atom CD1 of residue 67
P1537
P7917
P4063
P7575
P3996
Atom HG3 of residue 34
P5915
P8198
P4767
P10142
P6315
P3302
P7650
Atom H of residue 5
P2125
P1
P1886
P5916
P6964
P7058
P11565
P7124
P4002
P5440
Atom N of residue 71
P6784
P2957
P3463
P9497
P3308
Atom HA of residue 5
P5981
P3189
P7649
Atom CB of residue 43
P3986
P4567
P3130
Atom HG21 of residue 22
P4303
Atom CG of residue 62
P4670
P1747
P132
P5056
P2406
P1998
P3292
P8043
P4062
P3369
P6074
P13371
P12146
P321
P12887
P3368
P7902
P6101
P2833
Atom NE2 of residue 2
P4215
P2190
P8549
P4699
P7430
P3055
P3561
P8052
P5231
P2861
P5905
P7772
P3907
P3737
Atom N of residue 12
P4577
P1
Atom HA of residue 22
P7332
P7184
Atom CB of residue 72
P2442
Atom N of residue 19
P5490
P3275
P4318
P120
Atom CG of residue 45
P6937
P5794
P5695
P4138
Atom HD2 of residue 74
P2291
P5176
P6938
P7030
P1714
P8357
P4956
P7147
P3
GLN
P2308
P5408
Atom CE of residue 12
P6414
P10853
P4583
P4746
P2658
Atom CB of residue 14
P8142
P3262
P2839
P4420
P4
P8478
P5158
P4178
P1538
P2800
Atom HG22 of residue 30
P4025
P3839
P5916
P3234
P4812
P1920
P5833
P3331
P7651
Atom HA of residue 5
P1724
Atom HD21 of residue 69
P2823
P1791
P7585
P7185
P4839
P7216
P7059
P5195
Atom CA of residue 122
Atom HD21 of residue 43
P8533
P2987
P3493
P1999
P2570
Atom O of residue 47
P1335
P4064
P7576
P3997
P5944
P7650
P2126
Atom CG of residue 43
Atom HD3 of residue 37
P1450
Atom O of residue 39
P4768
P7918
P5981
P3303
P7743
P2109
GLY
P6684
P6965
P1600
P10143
P5169
P7837
P4003
P5441
P6785
P2958
P3464
P1748
P3276
P3309
Atom HB2 of residue 52
P2275
P3190
P4821
P3987
P4568
P3131
P8053
P4304
P4671
P5906
THR
P5057
P2491
P2407
P8479
P3293
P5231
P7186
Atom CG of residue 72
P4063
P3370
P9498
P5491
P12147
Atom CD1 of residue 45
ScoreState 38
P5917
P3369
P5424
P5233
P2834
P6075
P11566
P6939
P7125
P4216
P4957
P4700
P7431
P3056
P3562
P2443
P2862
P10854
P3738
P4578
Atom O of residue 20
Atom H of residue 42
P8534
P1678
P6685
P7333
P5834
P6316
Atom HG3 of residue 63
P4319
Atom HG2 of residue 31
P5982
P6938
P5795
P5696
P5159
P8044
Model 371
P4139
Atom CG of residue 39
PRO
Atom HG23 of residue 30
P5196
P7031
P1887
P12888
P7148
P4584
P4747
P2659
Atom N of residue 3
P7187
P7903
P3263
P6102
P2801
P79
P2292
P2840
P4421
Atom HG of residue 69
P4179
P1921
P1
Atom CA of residue 67
Atom CD of residue 62
P4100
P4026
P3840
P3235
P8550
LEU
P1792
P3332
Atom C of residue 122
P5982
P13372
P7652
P5917
P2824
P6686
P6966
Atom H of residue 47
P7060
P7744
Atom HG3 of residue 31
P2988
P3494
P0
P6786
P2571
P8143
UnaryFunction26
P2309
Atom HD3 of residue 74
Atom HD11 of residue 30
P4065
P3908
P3998
Atom N of residue 53
P1715
P8358
P2110
P7651
P4104
Atom CB of residue 28
P4769
P1601
P6317
P3304
P5177
P2191
Atom N of residue 38
P7188
P5409
P9499
P6415
GLN
P12148
P7842
P4004
P1679
P5442
P5918
P7586
P2959
P5425
P3465
P7217
P5234
P7919
P7773
P11567
P7126
P3310
P3191
P2000
P7432
P4813
P5233
P3988
P4569
P3132
P4305
P4672
P5907
P7577
Atom CB of residue 20
P6687
P8480
P7334
P3294
Atom CA of residue 62
P1
P4064
Atom OE1 of residue 62
P3371
Atom C of residue 45
P5945
P2127
P1
Atom CD2 of residue 8
P8045
P3370
P2835
P6940
P4217
P4958
Atom HB of residue 5
Atom CD1 of residue 43
P4701
P3057
Atom N of residue 21
P3563
P2863
P1749
P5492
P10144
P3277
P5168
P10855
P3739
P4579
P8535
P2492
P7189
P8054
Atom OD1 of residue 39
P1539
P5835
Atom OD1 of residue 18
P13373
P4320
P7745
P5983
P5058
Atom HA of residue 74
P2276
P1680
P1888
P12889
P5160
P4140
P4870
P5197
P5178
P7838
Atom CA of residue 35
P8551
Atom CA of residue 71
P2408
P7149
P5410
P114
P5983
P6416
P121
P4585
P4748
P6688
P2660
P2
P7904
P3264
P6103
P6076
P2841
Atom HG2 of residue 1
P4422
Atom HE21 of residue 31
P8144
P4180
P4101
P4027
P3909
P3841
P8359
Atom HG12 of residue 5
P6939
P5796
P5697
Atom HD11 of residue 69
P3236
Atom H of residue 28
ASP
P3333
P7032
P2192
P322
P2825
P1339
P7190
P2444
P2310
P1716
P2989
P3495
P2572
P7587
Atom C of residue 62
P7920
P4066
P3999
Atom CD1 of residue 61
P4121
P6787
P5234
P4770
P1540
P115
P3305
P7578
Atom HG2 of residue 2
P1598
P2293
P7653
P4005
P5443
P1793
P5919
P2960
P3466
Atom HE of residue 74
P7218
P5235
P7061
P7774
P9500
P6318
P11568
P7127
P3311
P3192
P5918
Atom CD2 of residue 43
P2001
P3989
P4570
P5427
P3133
P4306
P4673
P2802
P5493
P12149
P7839
Atom O of residue 45
P7652
Atom C of residue 9
P3295
P1922
P7191
P4065
P3372
Atom CB of residue 42
P5984
P5059
P2111
Atom HB2 of residue 74
P5946
P7433
P8046
P3371
Atom NE2 of residue 62
P2054
P2836
P5170
P4218
P2128
P2493
P4702
P7335
P6967
P3058
P3564
P2445
Atom HG12 of residue 70
P2864
Atom SD of residue 12
P10145
P3740
P4580
P2277
P4815
P1340
P7905
P6104
P5908
Atom CB of residue 122
P65
P13374
P4321
Atom C of residue 35
Atom C of residue 71
P5161
P4141
Atom HA2 of residue 47
P4871
P5179
P6940
P5797
P5698
P7150
Atom HH11 of residue 72
P8055
P5411
ListSingletonContainer142
P6417
P6941
P7033
P4959
P4586
P4749
P8481
P2661
P7192
P3265
P6077
P10856
P2842
Atom H of residue 32
P4423
P4105
Atom CG of residue 74
Atom CE1 of residue 68
Atom HA of residue 28
P8145
P4181
P5837
P4028
P3842
GLY
P3237
P1750
P5199
P3334
P3910
Atom HG13 of residue 5
P8536
Atom HD13 of residue 30
P2826
P12890
Atom HG3 of residue 18
Atom O of residue 62
Atom CA of residue 21
Atom OD2 of residue 39
GeneralizedGuinierPorodFunction 15
P7654
P1717
P2990
P3496
P8552
P2409
P2573
P7588
Restraint 65
Atom HH12 of residue 74
P1599
P7062
P4067
P5984
P4000
P5235
P2311
P4771
P7219
P3278
P3306
P7579
P12150
P7840
P1681
P7653
P1794
P6689
P6968
P7193
Atom HB3 of residue 37
Atom HE22 of residue 31
P4006
P8360
P5947
P5444
P2002
P7434
P2961
P3467
P2055
P1543
P5236
P2803
P18
P5171
P3312
P3193
P5919
P7336
P3990
P1923
P4571
Atom HA3 of residue 47
P3134
P4307
P4674
Atom HG13 of residue 70
P10146
P7746
P2112
Atom HE3 of residue 48
Atom N of residue 19
Atom NE2 of residue 68
P3296
P4
P4066
P5909
P3373
P5494
Atom N of residue 123
P2193
P5060
Atom O of residue 35
P6788
P5162
P3372
P2
P2837
Atom CD1 of residue 3
P3
Atom HD13 of residue 73
P2494
P5920
Atom CD of residue 74
P4703
P3572
P3565
P8056
P2865
P7921
P2294
P3741
P11569
P6942
P7128
P4581
P5985
P4960
P8553
P8482
Atom N of residue 2
P9501
P6078
P10857
P4322
GeneralizedGuinierPorodFunction 27
P4106
P12891
P4142
P2446
P6320
Atom CA of residue 53
P4219
P60
P6941
P5798
P5699
P2410
P7151
Atom C of residue 28
P8047
Atom HG2 of residue 37
P7906
P6105
Atom HD11 of residue 36
P7775
P5414
P7034
P8361
Linear1DFunction 9
P4587
P8537
P4750
Atom N of residue 31
P2662
P5426
P3266
Atom H of residue 39
P3279
P2843
P3
P4424
P2278
Atom HG3 of residue 18
P2129
P4182
P1751
P5985
P4029
P3843
P13376
Atom HA of residue 32
P3238
Atom CG of residue 71
P4814
P2
P3335
P3911
P5180
P2827
Atom CB of residue 3
GLY
P6418
P7655
Atom N of residue 32
P2991
P3497
P2574
P4840
P5237
P7063
P4068
P4001
P1682
P323
P5920
Atom H of residue 43
P8146
P5236
Atom CA of residue 7
P4772
Atom CA of residue 5
P7776
P3307
P7654
P6690
P6969
P5836
ListSingletonContainer88
P12151
P7841
P4007
P2194
Atom HG3 of residue 74
P5445
P2962
P3468
Atom HD13 of residue 36
P7220
P5198
P5172
P3313
P122
P1713
P3194
Atom HD21 of residue 73
P5921
P7435
P7589
P3991
P4572
P3135
P4308
P4675
P7922
TRP
P11570
P7129
P5986
Atom HG21 of residue 5
P5948
P6
P7337
P3297
Atom CB of residue 62
Atom N of residue 48
P4067
P5910
P3374
ListSingletonContainer445
P7580
P6789
PRO
Atom H of residue 68
P7194
P3373
P2295
P2838
P10147
P1575
P4704
P8048
P3566
P8057
P7907
P6106
P2312
P2866
P3742
P6943
P4582
P5324
P4961
P59
P8554
Atom CD1 of residue 71
P4841
P9502
P10858
P4323
Atom C of residue 53
P8362
P4107
P12892
Atom H of residue 11
P4143
P1545
P7777
P4220
Atom N of residue 35
P7152
Atom CB of residue 51
P2804
P5495
P6079
P5181
P4588
P4751
P2130
P1795
P2003
P2663
Atom O of residue 28
P1924
Atom HG3 of residue 37
P2447
P3267
P6419
P2844
P4425
P2113
Atom CB of residue 37
P2495
P4816
P4183
P5428
Atom HH21 of residue 74
P1
P6319
P4030
P3844
Atom HD2 of residue 74
Atom N of residue 19
P3239
Atom HA of residue 43
P6691
P8483
P8147
P5237
Atom HA of residue 3
P3336
P5986
P2279
P6942
P5799
P5700
P2828
P5163
P2056
P1565
P7035
P2992
P3498
P2575
P3573
P5413
P4069
P3280
P4002
P8538
P7590
P4773
Atom HG21 of residue 70
P5838
P3308
Atom HG22 of residue 5
P5949
P2411
Atom CG of residue 62
P1752
P1814
P5200
Atom O of residue 122
P1
P7581
P13375
Atom HA of residue 4
P7748
P4008
P0
P5446
P5921
P6790
P2963
P3469
P7221
P10148
P5173
P3314
P7656
P3195
P6692
P5922
Atom NE of residue 74
P3992
P4573
P3136
P8058
P4309
Atom N of residue 37
P4676
P7064
ModelScoringFunction8
P3912
P11571
P7130
P2195
Model 130
P3298
Atom N of residue 40
P4068
P7923
P3375
P9503
P5987
P7655
P1576
P1796
P8484
P6971
P7195
P3374
Atom CG of residue 12
P2839
P2114
P4705
Atom CE3 of residue 111
P8049
Atom CG of residue 51
P5429
P3567
Atom C of residue 48
P2057
P2867
P2805
P6080
P3743
Atom HB2 of residue 32
P12152
P4583
P1337
JeffreysRestraint_P0
P7908
P4842
P6107
P5238
P2296
P4324
P8539
P4108
P5164
P7436
P4817
P4144
Atom HH22 of residue 74
P5911
P113
P4221
P2004
P7338
P7153
P1925
Restraint 46
Atom HD11 of residue 13
Atom CB of residue 39
P5496
P4589
P4752
P6943
P5800
P5701
P2664
Atom CA of residue 40
P3268
Atom HG22 of residue 70
P2845
P6944
P4426
P7036
P4962
Atom HA of residue 68
P4184
P2313
P1544
P4031
P10859
ListSingletonContainer378
P3845
Atom HB3 of residue 52
P5322
P3240
P12894
P8148
P1567
P1754
P5839
P3337
P7749
ScoreState 24
Atom CD1 of residue 45
Atom HD22 of residue 73
P8555
P2829
Atom CZ of residue 74
P1815
P5201
P8363
P2993
P5922
P3499
P2496
P2576
Atom HB2 of residue 11
P4070
P5174
P6321
P4003
P7657
P2280
P7591
Atom HZ of residue 45
P4774
P7065
P3309
P13377
Model 342
Atom CZ2 of residue 111
Atom CB of residue 3
P7582
P5182
P4009
P5950
P5447
P7656
P2131
P2964
P3470
P5239
P5987
P6420
P3315
P5323
P3196
P3993
P7196
P4574
Atom O of residue 48
P3137
P4310
P4677
P10149
Atom HB3 of residue 32
P6791
P6693
P3299
P8059
P2571
P4069
P3376
P7843
P123
P8485
P5238
P3574
Atom CD of residue 51
P3375
P5912
P7778
P2690
P2840
P3281
P2196
Atom HD23 of residue 73
P4706
P1740
P3568
P7222
P2868
P7924
P1753
P9504
P5497
P3744
P4584
Atom CE2 of residue 4
P1797
P2412
P5923
ALA
Atom C of residue 40
P6081
P11572
P6945
P7131
P4325
Atom HD11 of residue 71
P4963
P8540
P324
P4109
Atom O of residue 71
P5165
P7437
P4818
Atom HB2 of residue 68
P4145
P2058
P2806
P10860
P3913
P12153
P4222
Atom HB2 of residue 43
P7339
P7154
P7197
P5430
PRO
P1568
P5183
P7750
P5988
P2115
P4590
P4753
P6944
P5801
P5702
P8556
P2665
P6970
P8050
Atom HD12 of residue 13
P3269
P6421
P2846
P4427
P7037
P8364
Atom HB3 of residue 74
Model 108
JeffreysRestraint_P1
P4185
Atom CD of residue 62
P5
P4843
Atom HG23 of residue 70
P5202
P51
P6322
P4032
P3846
P3241
Atom N of residue 46
P7909
P6108
P2314
P5840
Atom OH of residue 20
P3338
P13378
P7658
Atom HG11 of residue 5
P2830
Atom C of residue 28
P2994
P3500
P2132
Atom NH1 of residue 74
P2577
P0
P0
P4071
P4004
P5325
Atom HG1 of residue 12
P5923
P5239
P1708
P4775
P7066
P1816
P2323
P3282
P3310
P6792
P2005
P8149
P1546
Atom N of residue 1
Atom O of residue 50
P4010
P5448
P7657
P12893
Atom CZ3 of residue 111
P3575
P2965
P7198
P3471
Atom OD1 of residue 60
P2
P5240
P7779
P2691
Model 61
P5988
P3316
Atom OE2 of residue 51
P3197
P1577
P3994
P1926
P4575
P3138
P4311
P4678
P7925
P9505
P6694
P5924
P7592
P3300
P4070
P3377
P11573
Atom HD21 of residue 56
P7132
Atom HD12 of residue 71
P2197
P7438
P1741
P3376
P5913
P2841
P7583
P12154
P7844
Atom HB3 of residue 43
P2497
P7340
Atom OE1 of residue 62
P3569
Atom CA of residue 37
P7223
P2869
P3745
P4585
P5951
Atom N of residue 74
P2413
P8051
Atom OE1 of residue 51
P3
P5175
P3914
P6946
P4326
P4964
P2281
P4110
P4819
Atom HD11 of residue 15
P4146
P4844
P5498
P10150
P6323
P10861
Atom OD2 of residue 39
P1798
P4707
P7155
P6972
P8060
Atom HD12 of residue 30
P5184
P5989
P2116
P4591
P4754
P7
P2666
P3270
P2059
P2807
P6422
P2847
P1319
Atom CG2 of residue 17
P4428
P1343
P7751
Atom CB of residue 71
P8486
P4186
Atom CE1 of residue 4
Atom HH11 of residue 74
P5203
P4033
P82
P3847
P5326
Atom HH12 of residue 74
Atom HG2 of residue 74
P5802
Atom HG21 of residue 12
P3242
P5167
Atom O of residue 28
P5431
P7910
P6109
P1569
P5841
P3339
P6082
P13379
P2831
P1578
P2006
P8150
P1927
Atom N of residue 71
Atom CB of residue 50
P2438
P8541
P6945
P2995
P5703
P3501
P2578
P2315
ListSingletonContainer156
P4072
P5989
P4005
P7038
Atom H of residue 51
Atom H of residue 39
P8557
P5240
P4776
P1547
P7780
P3311
P2133
P2498
P12895
Atom NH2 of residue 74
P7593
P2297
P7659
P1344
P4011
P5449
P6793
P3576
P2966
P3472
P2692
P1817
Atom CB of residue 12
P5176
P7584
Model 295
P3317
Atom HH22 of residue 74
P3198
Atom HD2 of residue 68
P3995
P4576
P3139
Atom HA of residue 60
P4312
P4679
P7658
P1579
P5925
Atom CH2 of residue 111
P3301
Atom HB2 of residue 39
LYS
P4071
P7224
P7067
P3378
P9506
P11574
P7133
P2439
Atom HG13 of residue 3
P5924
P6695
P4820
Model 164
P3377
P2842
P5499
P12155
Atom HB3 of residue 2
P6973
P3570
P5242
P2870
P1755
P3746
P4586
P5990
P8495
P5952
P2282
P7439
P8052
Atom NE2 of residue 62
ALA
P3283
P4327
P4111
P8558
P1799
P8487
Atom OE2 of residue 51
P4147
Covariance1DFunction 16
Atom N of residue 31
P10151
P2117
P5803
P2499
P4708
P7156
Atom HD12 of residue 15
P8061
Atom CD1 of residue 4
P7911
P6110
P2808
P5914
P5842
P2298
P3915
Atom H of residue 17
P4592
P4755
P325
Atom H of residue 69
P2667
P7341
Atom N of residue 112
P5432
P3271
LEU
P7926
P5204
P2848
Atom HD23 of residue 56
P4429
P8542
P6946
P5704
P2414
P4187
P7199
P1570
P76
P4034
P3848
P6947
P7039
P7845
P5327
P4965
P74
Atom O of residue 5
P3243
P7781
P3340
P6083
P10862
P13380
P124
P2198
ARG
P2832
P12896
Atom HA of residue 74
P2
Atom HE1 of residue 68
P1742
P8151
Atom C of residue 46
P6324
P5185
P2996
P3502
P2579
Atom HD12 of residue 36
P2030
P4073
P6423
P4006
Atom HB2 of residue 4
P6696
P2007
P1928
P4845
P4777
P3284
P3312
P7660
P7752
Atom HA of residue 39
P7659
P2134
P7594
P2316
P7068
P1818
P5990
Atom HD13 of residue 71
P4012
Atom N of residue 75
Atom HG21 of residue 3
P5450
P5166
P3577
P2967
P3473
P2693
P5177
P7585
P12156
P3318
THR
P3199
Restraint 127
Atom HG of residue 43
Atom HZ2 of residue 27
P3996
P4577
P3140
P4313
P4680
P5953
P2283
P2282
P7440
P3302
P5242
Atom HG2 of residue 1
P4072
P1
P1709
P2323
P3379
Atom NH2 of residue 21
Atom N of residue 7
P5925
P3378
Atom CA of residue 48
P4
P1548
Atom N of residue 16
P2843
P10152
P6974
P4595
P8062
P1
P7225
P2871
P5915
ListSingletonContainer89
P5500
P3747
P4587
P8496
Atom HA of residue 69
P6794
P4328
P8559
P5927
P2611
P4148
P4846
P6325
P11575
P6948
P7134
Atom CG of residue 50
P5991
P4966
P4709
P7157
Atom H of residue 62
P9507
P6084
P10863
P83
P13381
P7846
P4593
P4756
Atom CA of residue 74
P1580
P2668
P3272
P2849
P5186
P4430
P6947
P5804
P5705
ARG
P8053
P1
P4188
P7200
P7912
P6111
P5241
P6424
P4035
P3849
P7040
P2199
P5328
Atom HA of residue 51
P3244
P7342
P1743
P3341
P2833
P12897
P8488
P5433
Atom O of residue 60
Atom C of residue 1
P2031
P5991
Atom HD21 of residue 71
P2997
Atom HG23 of residue 5
P3503
Atom N of residue 69
Atom O of residue 46
P2060
P1582
P4074
P4007
Atom CA of residue 1
Atom HD11 of residue 43
P6697
P4838
P1929
Atom CG2 of residue 23
P4778
P1756
P3313
P7661
P7753
P8543
P1800
P5168
P7069
P7927
P2440
Atom CA of residue 14
P4013
P2118
P5451
P5926
P2135
P2415
P2008
P8152
P3578
P2968
P3474
P2809
P2694
P5843
P4018
Atom HD11 of residue 56
P3319
Atom HB3 of residue 51
Atom HB2 of residue 39
P3200
Atom CB of residue 45
P7660
P2283
P3997
Atom H of residue 51
P4578
P4596
P3141
P2317
P4314
P1710
P4681
P5205
P2299
P7135
P12157
P3303
P4073
P1549
P3380
P2612
P7441
P7595
P1348
P3379
Atom HG13 of residue 30
P2844
P11576
P5992
P5954
P8489
P6975
Atom HA of residue 62
P0
P4847
P7226
P2872
P5916
P5179
P7586
P3748
Atom HG3 of residue 16
P4588
P7847
P1581
P6795
P1575
P10153
P10864
P4329
Atom CD1 of residue 50
P2284
P5928
P8054
P4149
P8063
P7913
P6112
P6326
P6949
P5329
P4967
P8544
Atom CG of residue 45
P4710
P7343
P5241
Atom CG of residue 38
P1583
P7928
P7782
P9508
Atom HH11 of residue 74
P4594
P4757
Atom HB2 of residue 74
P2669
P3273
P5243
P1757
P3285
ListSingletonContainer444
P2850
P4431
P8497
P4189
Atom N of residue 69
P1819
P5501
P6085
P4036
P3850
P3245
P2500
P6698
P7158
Atom HB3 of residue 68
Atom CD1 of residue 23
P5844
P3342
P7754
P2834
P5169
P2061
P5206
P116
P7041
Atom CD1 of residue 13
P2998
P3504
P8560
P2416
P8153
P1349
P7201
Atom CB of residue 60
Atom O of residue 12
P4075
P5992
P4008
P125
Atom HH11 of residue 72
Atom HB3 of residue 39
P6948
P5805
P5706
P1801
P8490
P2613
P7596
Atom HA of residue 51
P4779
P7783
P3314
P2119
P1335
P2009
P1930
P5434
P2810
P4014
P5452
P4822
Atom CA of residue 112
P1744
P3579
P2969
P3475
P3
P1824
P1333
P2695
P2300
P13382
P5187
P3320
P5955
P326
P3201
P12898
P6976
P3998
Atom O of residue 40
P4579
P4597
P3142
P2322
P4315
P4682
P6425
P3916
P7587
P7136
P2200
Atom HG2 of residue 51
P5927
Atom HB2 of residue 69
P6796
P3304
P4074
Restraint 164
P3381
P10154
P7662
P5929
Atom HB3 of residue 74
P3380
Atom CB of residue 46
P8064
P5244
P7070
P7929
P2845
P11577
Atom C of residue 4
Atom CE2 of residue 45
UnaryFunction4
P1576
P2873
P9509
P3749
P4589
P2441
P5993
P7661
P0
Atom N of residue 17
P4330
P8499
P2136
P2501
P8055
P5243
P4150
Atom HA of residue 38
P2032
P118
P6086
P12158
P8545
P62
P4711
P7344
Atom CG of residue 40
P7914
P6113
P1550
P6426
Atom HD13 of residue 3
P4758
P2670
P7442
Atom H of residue 3
P3274
P4848
P7227
P5917
P1820
P2851
P5188
P4432
P7042
Atom HD22 of residue 71
P8561
P4190
P1584
Atom CB of residue 20
P5502
P5178
P4037
P10865
P3917
P3851
Atom CB of residue 22
P2285
P6949
P5806
P5707
Atom HD12 of residue 15
Atom CZ of residue 45
P3246
P2284
Atom HD12 of residue 43
P7159
P7784
P5845
P3343
P6328
P13383
P6950
P4968
P2835
P5170
Atom HD1 of residue 68
Atom HB of residue 23
P5207
P2999
P3505
P6699
P8154
P7202
P1758
P4076
P4009
P7755
Atom H of residue 13
P12899
P2581
P7597
P4780
P3286
P3315
Atom CE1 of residue 4
P5928
Atom CA of residue 7
Atom HB3 of residue 69
Atom C of residue 112
P1745
P5435
P1711
Restraint 5
P7663
P4015
P5453
P3580
P2970
Atom H of residue 46
P3476
P2325
LEU
P7071
P2696
ListSingletonContainer379
P3321
Atom CD2 of residue 50
P2201
P3202
Atom OG1 of residue 22
P5244
P3999
Atom HB2 of residue 62
P4580
P4598
P3143
P4316
P4683
P7588
P7848
P5330
P5956
P7662
P2417
P3305
P4075
P3382
P5993
Atom C of residue 19
P3381
P2415
P5245
P2846
P10155
P6797
P8491
Atom HG2 of residue 74
P4823
P7345
Atom CD of residue 40
P8065
P2874
P3288
P3750
P4590
Atom N of residue 4
P2137
P1802
P1931
P2033
P5918
P2301
P4331
P8500
P2120
Atom CG of residue 24
P5829
P4151
P2811
P9510
P5503
P12159
P2285
Atom HD13 of residue 43
P2010
P4712
Atom H of residue 23
P4849
P7930
P6427
P6087
P11578
P6951
P7137
P7849
Atom N of residue 72
P4969
Atom HG3 of residue 51
P4759
Covariance1DFunction 79
Multivariate Normal distribution 38
P5930
P2671
P7443
Atom O of residue 26
P7203
P3275
P7228
P33
P5180
P10866
P2852
P5189
P4433
P2019
Atom H of residue 50
Atom HA of residue 3
Atom HD2 of residue 27
P6700
P6977
Atom O of residue 19
P4191
P2326
P1712
P2062
P1552
P4038
P3852
P2442
P7756
P5994
P5331
P6950
P5807
Atom H of residue 45
P3247
P8492
P7160
P8056
P3344
P13384
P7043
Atom HD13 of residue 15
P2836
P5171
Atom HG2 of residue 62
P1585
P7785
P1315
P3000
P3506
Atom CB of residue 48
P5436
P7915
P6114
P4077
P4010
P8546
P2419
P2582
P4781
P1821
P3316
Atom CB of residue 19
Atom OE1 of residue 24
P8562
P4824
Atom CB of residue 26
P5847
ListSingletonContainer2
Atom CZ of residue 4
P7664
P4016
P2286
P5454
P5929
Atom CG2 of residue 3
Atom CB of residue 42
Atom O of residue 9
P3581
P2971
P3477
P7072
P2697
P5209
P6327
P3322
P3203
Atom HA of residue 45
P6798
P8155
P0
P5245
P4000
P4581
P3144
P4317
P4684
P7663
P3306
Atom H of residue 24
P1577
P4076
P3383
P5994
P2121
P327
P7204
P3382
P1759
P9511
P2847
P3287
P3918
P12160
Atom O of residue 2
P1803
P8493
P6978
P7598
P1932
P4599
Atom HA of residue 23
P2063
P2875
P2302
P3751
P11579
P7138
P4591
P7850
Atom N of residue 52
P2502
P12900
P7444
P7346
Atom CA of residue 69
P5246
P2812
P5919
Atom NE2 of residue 15
P5181
P7589
P4332
P2020
Atom HD3 of residue 27
P126
P8501
P1399
P1454
P2011
P4152
P7229
P2443
P5957
P2418
P4713
P8057
P6952
P2202
P4970
Atom H of residue 18
P4760
Atom H of residue 74
P5172
P2672
P1746
P3276
P1586
P117
P5504
P10156
P10867
P2853
P4434
Atom CG of residue 19
P2286
Atom CG of residue 48
P4192
P5437
P8066
P4039
Model 90
P3853
Atom HA of residue 50
P5995
P5332
P8547
P63
P3248
P6701
P7161
Atom CB of residue 19
Atom CA of residue 46
P2034
P3345
P7757
Atom HG of residue 69
P2837
Atom HE22 of residue 2
P6428
P3001
P5708
P3507
P2138
Atom HG3 of residue 62
Atom HB2 of residue 24
P1578
P7916
P6115
P7931
P1822
P4078
P6088
P5190
P4011
P2583
P8156
P2324
P4782
P84
P3317
Atom CA of residue 2
P2287
P6951
P5808
P5931
P4825
P4850
P1760
P5995
P6329
P13386
P7044
P4017
Atom OE2 of residue 24
P5455
Atom HB2 of residue 45
P2503
P4
P8494
P3582
P2972
P3478
P1553
P2698
P3323
P3204
P7599
P4001
GLN
P4582
P3145
P4318
P4685
P7786
P6799
P3307
P4077
Atom N of residue 18
P5247
P3384
Atom CA of residue 12
P3919
P7590
ARG
P8502
P1400
P1747
P5246
P7205
P3383
P1579
P2848
P7665
Atom HD21 of residue 43
P12901
P6979
P5438
P4600
Atom C of residue 69
P7073
P2876
P5846
P9512
P2303
P1
P3752
P11580
P7139
P4592
Atom HA of residue 32
P2203
P2122
Atom HA of residue 18
P65
P5930
P1455
Atom OE2 of residue 24
Atom HG21 of residue 30
P4
P5208
P5505
P5182
P4333
P12161
P7851
P7664
P4153
P1713
P5996
P5958
P5709
P5932
P4714
P7445
P8058
P4851
Atom N of residue 2
P4761
Atom HD11 of residue 69
P2673
Atom SD of residue 1
P3277
P7230
Restraint 97
P10157
P6429
P2854
Atom HB of residue 3
P4435
P2139
Atom C of residue 5
P4193
P8067
P7917
P6116
P2035
Restraint 85
P4040
P3854
P5191
P3249
P7347
P7162
P2327
P1827
P3346
Atom CB of residue 38
P2444
Atom CA of residue 72
P6952
P5809
P2287
P2838
Atom HA of residue 24
P2012
P5921
P6330
P6953
P7045
P4971
P3002
P3508
P2813
P7932
P4079
P6089
P10868
P4012
P1804
P2584
Atom CA of residue 40
P8157
P1933
P4783
P3318
P5333
P2504
Atom HE21 of residue 62
Atom C of residue 12
P2021
P4018
P8548
P5456
P6702
P5247
P3583
P2973
P7206
Atom N of residue 51
P3479
P2699
P3324
P7666
P7758
P2288
P3205
Atom HD22 of residue 43
SingletonConstraint 3
P5173
P7600
P4002
P4583
Atom HD11 of residue 23
P3146
P2329
P4319
P1714
P4686
P1554
P7074
P7787
P5996
Atom CG of residue 38
Atom HB2 of residue 51
ASN
P3308
Atom CB of residue 37
P4078
P3385
P7591
P12162
Atom HB3 of residue 27
P7665
P4827
P3384
GLU
P5848
P2849
P3289
Atom HB3 of residue 45
P2453
P5959
P5710
P7446
Atom CA of residue 4
P4601
P2877
P5210
P3753
P13385
P4593
P5412
P1401
P5931
P1748
P1589
P5
P10158
P5183
P3920
P4334
Atom HB2 of residue 32
Atom O of residue 24
Atom CD of residue 48
Atom HG23 of residue 5
P4154
P8068
P1761
P5506
P2204
P2123
P6800
P2420
P4715
P4852
P2328
P2064
Atom CB of residue 18
P127
P8549
P4762
P1805
P2674
P6981
Atom C of residue 25
P1934
P3278
P7231
P6430
P2855
P11581
P6954
P7140
P4436
P5997
P4972
Atom HB of residue 7
P12902
P4194
Atom HD12 of residue 23
P1580
P2814
P9513
P6090
P4041
P10869
P3855
P2022
Atom C of residue 72
P3250
P2288
P2505
P7348
P7163
P5248
P7933
P1829
P3347
P7852
P6953
P5810
P328
P2140
P1314
P2839
P5174
P8059
Atom HE22 of residue 62
Atom CD of residue 24
P7918
P6117
P5922
P6331
P7046
P3003
P3509
Atom HB2 of residue 24
P2013
Atom C of residue 40
GLU
Atom O of residue 69
P4080
P87
P4013
P1456
P2585
P4784
P7788
P5997
P3319
Atom HD1 of residue 45
Atom CD of residue 38
P5933
Atom HB of residue 3
P5439
P2304
P4019
Atom HB2 of residue 18
P5457
P5932
Atom CD2 of residue 71
P6703
P3584
P2974
Atom CA of residue 5
P3480
P8200
P2700
P5849
ListSingletonContainer90
P3325
P7667
P7759
P8498
P5334
P3206
Atom NZ of residue 48
P4003
Atom HD13 of residue 67
P4584
P3147
P4320
P4687
P7075
P5211
P5192
P2445
Atom HG21 of residue 55
P3309
P8158
P7207
P4079
P2065
P3386
P5184
P1
Model 299
P7666
Atom O of residue 40
P3385
P2332
P1715
P2036
P2850
P13387
P12163
P1329
P12903
P4602
Atom O of residue 42
P2878
Atom CG of residue 18
P3754
P4594
Atom HD12 of residue 69
P7447
P7601
P5249
P11582
P7141
P4335
P5998
P2124
Atom N of residue 17
P5960
P0
P5711
P4155
P1581
P3921
P7592
P2205
P1402
P2289
P6801
P4716
P7349
P1749
Atom HD22 of residue 67
P10159
Atom CD1 of residue 56
P8550
P4763
P1458
P2804
P4826
P8060
P5248
P8069
P7919
P3279
P6118
P5923
P6431
P2856
P6955
P4437
P4973
P64
Atom O of residue 25
P4195
P9514
P4042
P10870
P3856
P5193
Atom HG22 of residue 55
Atom H of residue 71
P3251
P1806
SingletonModifier 3
P7164
Atom HB3 of residue 54
P1935
P5440
P1762
P3348
P7853
P2840
P5934
P5175
P4853
P2815
P2305
P5507
P6091
P6332
P2023
P1333
Atom HB3 of residue 18
P3004
P3510
P6704
P7232
P7934
von Mises sufficient 12
MET
P4081
P3290
P4014
P7760
P2141
P2586
P6980
Atom HG3 of residue 62
P2037
P4785
Atom CB of residue 69
Atom O of residue 45
P1828
P3320
Atom H of residue 56
P8370
Atom HB3 of residue 62
P3059
P8159
P2
P7208
P2321
Model 272
P5998
Atom HB3 of residue 29
Atom HD2 of residue 45
P4020
P6954
P5811
P5458
Atom HD23 of residue 43
P3585
P2975
P3481
P2333
P7789
P2701
P5850
P13388
P7047
P3326
Atom HB3 of residue 32
P3207
P2421
P4004
P4585
P3148
Atom HD21 of residue 71
P4321
P4688
P1551
P5212
Atom H of residue 48
Atom HD13 of residue 69
P7602
P3310
P1324
Atom N of residue 19
Atom CA of residue 69
P4080
P3387
P2446
P5961
P2289
Atom CD of residue 24
Atom HG2 of residue 54
P5249
P3386
Atom HA of residue 22
P2851
P7593
P2506
P6802
P12904
P2014
P4603
UnaryFunction29
P2879
Atom CG of residue 45
P10160
P3755
P7668
Atom HG3 of residue 62
VAL
Atom CA of residue 51
P8070
P1716
P8199
P2
P5250
P7076
P1763
P6432
P88
P11583
Atom HG3 of residue 29
P7142
P4336
P1750
P4156
P9515
P3922
P5999
P7667
P4717
P4828
P5441
P1331
Atom N of residue 1
P3291
P7854
P2206
P4764
P1403
P8061
LYS
Atom HB3 of residue 62
PRO
P3280
P4854
P6092
P6333
P2857
P4438
P12164
P8494
P5337
P5935
P7350
P4196
P7920
P6119
ListSingletonContainer147
P4043
P3857
P5194
P5712
P3252
P7448
P7165
Atom HE21 of residue 62
Atom CE2 of residue 45
P5924
P2306
P3349
P5185
Atom CG1 of residue 5
Atom HG23 of residue 55
P8371
P5933
Atom HA of residue 71
P2841
P2422
P1587
P2816
P5508
Atom HD23 of residue 71
P2290
P6955
P3005
P5812
P3511
P2142
Atom N of residue 44
P1807
P6982
Atom HG22 of residue 23
P7233
P7935
P7790
P1851
P4082
P6956
P4015
P7048
Atom N of residue 33
Atom HA of residue 56
P4974
P329
P2587
P4786
P1
P10871
P3321
P2024
P2447
P2125
P8551
P6705
P8160
P1936
P5213
P7761
P4021
P5459
P5177
Atom ND2 of residue 59
Atom HG2 of residue 24
P3586
P2976
P7209
P3482
P2038
P2702
P5851
P13389
P3327
P3208
P2015
P2805
P4005
P4586
Atom C of residue 69
P3149
P4322
P4689
P2066
Atom CZ of residue 45
P7669
P2290
P1459
P7603
P3311
GeneralizedGuinierPorodFunction 56
P4081
P2330
P1717
P8195
P7077
P3388
Atom OD1 of residue 19
P5250
P3387
P2852
P7594
Atom HE2 of residue 45
Atom HE21 of residue 62
P5962
P7668
Atom HA of residue 48
P4829
Atom HG3 of residue 54
Atom C of residue 51
P4604
Atom HG1 of residue 22
P8532
P2880
P5999
P3756
Atom HD2 of residue 29
Atom NH2 of residue 72
Model 6
Atom CA of residue 63
P10161
P5186
P4337
P8495
P5338
P6803
PairsRestraint 0
Atom CG of residue 37
P4157
P8071
Atom CG of residue 69
P5713
P4718
Atom HD23 of residue 71
Atom H of residue 45
P5925
Atom HA of residue 33
Atom OE2 of residue 18
P4765
P2507
P12906
P5442
P3281
P2331
von Mises sufficient 11
P9516
P5509
P2858
P4439
P12165
P1808
P6983
P4197
Atom CA of residue 19
Atom HG23 of residue 23
P5252
P1852
P6093
P4044
P3858
P11584
P6957
P7143
P7855
P4975
P3253
P7449
P7166
P7234
ListSingletonContainer93
P3350
P10872
P86
ARG
P8552
P2291
P5934
P2842
P6706
P2067
P1588
P5214
P7762
P1
P6000
P0
P6956
P3006
P5813
P3512
P1460
P8062
Atom HG of residue 67
P2817
P5852
P2307
P4083
P3292
P3923
P4016
P7049
P2025
P2126
Atom HB2 of residue 71
P5936
Atom HG13 of residue 36
P2588
P1937
P4787
P7791
P6433
P3322
P5195
Atom HB3 of residue 33
P2207
P7921
P6120
Atom CD1 of residue 69
Atom ND2 of residue 19
P4022
P5460
P3587
P2977
P3483
P4855
P2039
P2703
P13390
Atom HZ of residue 45
P3328
P1404
P3209
Atom HB2 of residue 48
P2516
P2423
Atom N of residue 60
P1751
P4006
Atom O of residue 51
P4587
P3150
P4323
P4690
P8533
P7936
P6334
P7670
Atom H of residue 72
Atom N of residue 56
P3312
P4082
P2334
P8196
P7078
P3389
P6804
P2016
P8161
P3388
P1764
P2853
ListSingletonContainer570
P151
Atom HB2 of residue 56
P7669
P4830
P4605
UnaryFunction0
P2881
P6000
P3757
Atom HB2 of residue 18
P5176
P7210
P9517
P5187
Restraint 102
P4338
P12166
GLN
P8372
PHE
P7604
P4158
P1449
Model 250
P11585
P7144
P7856
P5714
P2143
P2291
ILE
P4719
P2806
P7450
P7351
Atom HE22 of residue 62
P5252
Atom O of residue 69
P7595
LEU
P4766
P1
P5926
P2859
P4440
P5963
P6984
Atom HB3 of residue 1
P8063
P4198
P4857
P4045
P3859
P6958
P4976
Atom HB3 of residue 71
P3254
Atom HG21 of residue 36
P7167
Atom HD2 of residue 54
Atom HD11 of residue 71
P5510
P3351
P10162
P6434
P10873
Atom H of residue 29
P5196
P2843
P8072
Atom HA of residue 12
Atom N of residue 12
P123
P6335
P5
Atom CA of residue 61
P6001
P8374
Atom H of residue 62
P3007
P3513
P6707
Atom OG1 of residue 22
P1718
P7235
P4084
P13391
P4017
P8496
P2448
P7763
P2208
P5335
P2292
P12905
P5937
P2589
Atom C of residue 63
P5443
Atom CB of residue 27
P2335
P4788
PHE
P3323
P1461
P2508
Atom CG of residue 51
P7922
P6121
P2040
P5251
P6094
Atom HG2 of residue 33
P4023
P1405
P5461
Atom CA of residue 44
Atom CD of residue 41
P1752
P8162
Atom HB2 of residue 1
P3588
P2978
Atom CB of residue 69
P3484
Atom CD2 of residue 69
P1765
P2704
P3329
Atom HB3 of residue 56
P8553
P6957
P5814
P3210
P1324
P4007
P4588
P3151
P1450
P4324
P4691
P7937
P6001
P7050
Atom HD2 of residue 37
P3313
Atom HA of residue 8
P4083
P3390
P3293
P3924
P7596
Atom CA of residue 31
P2127
Atom CA of residue 5
P5935
P7605
Atom HG22 of residue 23
P3389
P2818
P7792
P2308
P2854
P1809
P6805
P5178
P2807
P4831
LYS
P4606
P1710
P2336
P2882
P3758
P2017
P7211
P4111
P1853
P5853
P4339
P2026
P7671
P8498
P2449
Atom CA of residue 10
P330
P2144
P6921
P2292
Atom NE2 of residue 41
P2424
Atom O of residue 63
P1938
P4159
P4858
P7079
P8534
P5215
P9518
P11586
P7145
P4720
SER
P5511
P12167
P7857
P4767
P7670
P7352
Atom HB3 of residue 8
P6435
P2860
P4441
Atom O of residue 61
P6002
P8375
P8554
P5964
P5936
P7451
P6985
P8064
P4199
Atom HD11 of residue 23
Atom CD of residue 51
P1719
P5189
P4046
P3860
P3255
P5938
P7168
Atom CG of residue 27
P3352
P10163
P35
Atom C of residue 4
P5715
P2844
P8073
P7923
P6122
P6336
P3008
P3514
P12907
P5251
P2068
P7236
Atom CD2 of residue 15
P4085
ListSingletonContainer380
P4018
P5336
P6958
P5815
Atom CE of residue 48
P2590
P5444
P2337
P4789
P5253
P5927
P3324
P6959
P7051
Atom HA of residue 72
P4977
Atom C of residue 44
P7353
P8535
P7938
P5216
P3294
P6095
P10874
P4024
P5462
P2509
P8163
P3589
P2979
P3485
P1766
P2705
P1854
P5854
P3330
P3211
P5179
P4832
Atom HD3 of residue 54
P4008
P1939
P4589
Atom CG of residue 69
P3152
P4325
P4692
P3925
P19
Atom C of residue 31
P5937
P6708
P2018
P3314
P7212
P4084
P2819
P3391
P7597
P5197
P7672
P7764
Atom C of residue 10
Atom HA of residue 37
P6922
Atom H of residue 41
P1457
P2425
P7606
P3390
P1711
P7080
P7793
P2855
P6002
Atom HE1 of residue 45
P2128
P2293
P2808
Atom CA of residue 60
P4607
P2883
P3759
P12168
P2027
Atom C of residue 61
P2209
Atom CE1 of residue 4
P1406
P7671
Atom C of residue 5
P1753
P4112
Atom O of residue 30
P13392
P4340
P8499
Atom HG3 of residue 33
P5965
P2293
P1811
P7452
P6986
P4160
Restraint 86
P5069
Atom HG of residue 71
P4721
Atom CB of residue 63
P2338
P2041
P2069
Atom CE1 of residue 15
P127
P5415
P10164
P2451
P4768
P5716
Atom HD12 of residue 23
P8074
P2309
P5512
P2861
P4442
Atom CA of residue 56
P8555
P6806
P12908
P4200
Atom HG of residue 8
Atom HG2 of residue 51
Atom CD of residue 27
P4047
P3861
P3256
P7169
P0
Atom OE1 of residue 51
P5445
P4859
P5254
P3353
P11587
P5198
P6960
P7146
Atom HB2 of residue 72
P6003
P4978
Atom CA of residue 65
Atom HB2 of residue 37
P2145
P2845
Atom HD11 of residue 36
P5253
P9519
P6096
P10875
P152
P3009
P3515
P4086
P6437
P4019
P7858
Atom O of residue 61
Atom CD2 of residue 56
P6959
P5816
P2510
P2591
P8065
P1451
P7924
P6123
P4790
P5928
P5855
P5416
P3325
P1320
P7052
P8376
P8536
P5217
P5188
ListSingletonContainer443
P4025
Atom CG2 of residue 5
Atom CD of residue 2
P5463
P5939
P3590
P2980
Atom N of residue 52
P3486
P7794
P2706
P6003
P6338
P13393
P3331
P135
P3212
Atom C of residue 58
P5180
P7354
Atom CA of residue 63
P1646
P4009
P4590
P3153
P4326
P4693
P7237
P7939
P2210
P5070
P6709
P3315
P4085
P1767
P3392
P1855
P7673
P7765
Atom HD2 of residue 33
P6923
Atom C of residue 60
P3391
P8425
P1720
P7081
P2856
P3926
Atom O of residue 31
P1407
P0
Atom C of residue 3
P2809
P1754
P8164
Atom HE of residue 54
P7213
P4608
P3
Atom CB of residue 30
P2884
P5417
P3295
P3760
P7672
Atom O of residue 44
Atom CD1 of residue 69
P4113
P5
P4341
P12169
P2450
Atom HD11 of residue 71
P4161
P2042
P2426
P2
P4722
P7453
P7607
P4860
P2310
Atom CG of residue 97
P11588
P7147
Atom C of residue 56
P6004
P5966
P4769
P5717
P331
P2294
Atom HD12 of residue 36
P5254
Model 187
P1712
Atom CB of residue 11
P125
P2862
P7598
P4443
P8377
P2294
Atom O of residue 58
Atom HA of residue 41
P6807
P12909
P4833
P4201
P2820
P10165
P4048
P3862
Model 391
Atom C of residue 65
P3257
P2146
P5940
P7170
P8066
Restraint 22
P8075
P1452
P7925
P6124
P5255
P5929
P3354
P5199
P6961
P2129
P4979
P2846
P1647
Atom CE of residue 27
P9520
P10876
P2028
P8500
Atom N of residue 73
P3010
Atom HB3 of residue 37
P3516
P1812
P2019
P5446
P4087
ListSingletonContainer381
P4020
P7859
P2592
P7355
Atom CG of residue 63
P1721
P4791
P5513
P5190
P6097
P3326
Atom CB of residue 61
P5071
P5938
P6710
P6987
P1940
ASP
Atom HA of residue 23
P7766
P4026
P8556
P5464
Atom C of residue 63
P3591
P2981
Atom CD1 of residue 8
P3487
P8426
P2707
P3296
P13394
P36
P3332
P3213
Atom CD2 of residue 15
P5181
P8165
Atom HH11 of residue 54
P4010
P7214
Atom CB of residue 51
P4591
P3154
P4327
P4694
P7238
P7940
P6004
P6960
P5817
P3316
P4086
P3393
P7795
P5856
Atom CD of residue 97
P6436
P7053
Atom CB of residue 31
P6924
P3392
Atom O of residue 27
P5218
P2857
P2211
Atom CB of residue 44
P2810
P4834
P7608
P1755
P4609
P2070
P2885
P1856
P3761
Atom O of residue 56
P5967
P4114
Atom HG2 of residue 62
P8537
P6337
P7599
P4342
Atom HA of residue 29
Atom HB2 of residue 41
P6808
Atom CD of residue 63
P4162
Atom CD2 of residue 69
P2043
P2821
P10166
P7674
Atom O of residue 65
P2295
P4723
P7356
P8076
P4861
P7082
Atom O of residue 18
P11589
P7148
Atom HB3 of residue 72
P2452
Atom H of residue 41
P2130
Atom CB of residue 4
P4770
P2295
P0
P5255
Atom NZ of residue 27
P9521
P5418
P2863
P4444
P2029
P8501
P6005
P8378
P7673
P12910
P2020
P6988
P4202
P5447
P1453
P1713
P2311
P4049
P3927
P3863
P7860
P3258
Atom CB of residue 58
P2511
P7171
P8067
P5256
P1768
P3355
P5191
P6098
P12170
P1408
P5939
P2847
P1813
P7926
P6125
P8557
P3011
P5718
P3517
Model 322
P7454
Atom O of residue 63
P5930
P4088
P4021
Atom HB2 of residue 33
P2427
P5182
P2593
P1941
P4792
P3327
Atom HG2 of residue 72
Atom HB2 of residue 41
P5072
P6961
P5818
Atom HG22 of residue 36
P2071
P7239
P1
Atom CG1 of residue 30
P7796
P5200
P6962
P7054
P4027
P4980
P5465
P3592
P2982
P3488
P8427
Atom CB of residue 27
P1722
Atom HG3 of residue 62
P2708
P5514
P10877
P3333
P6
P3214
Atom HD12 of residue 71
P6711
P8166
P4011
Atom CD2 of residue 8
P4592
P3155
P4328
P4695
P5857
P6438
P7767
P2147
P3317
P7215
P4087
P8538
P3394
P5219
Atom HG23 of residue 5
Atom HG2 of residue 37
P6925
Model 145
P3393
P4856
P1857
P2858
Atom CE of residue 97
P7675
P262
P2811
P4835
P7609
Atom HB of residue 12
P4610
P7083
P2886
P3297
P6339
P3762
P13396
Atom H of residue 15
P2512
P5941
P4115
P7941
P1769
P7600
P4343
P2343
P2212
P5968
P1409
P7674
P12911
P1756
P4163
P0
P6005
Atom HB2 of residue 29
P1327
P4724
Atom CG2 of residue 30
P5257
P10167
1G6J_MODEL1.pdb
P4771
P6809
P5256
Atom HZ3 of residue 33
P8077
P2044
P2822
P5419
P2864
P4445
Atom O of residue 9
P256
P8373
Atom CB of residue 65
P5719
P5940
Atom HD13 of residue 71
P6989
P4203
Atom CA of residue 10
Atom HB2 of residue 51
P130
P4050
P3864
GeneralizedGuinierPorodFunction 10
P2131
P2296
P3259
Atom CG1 of residue 44
P7172
P5448
P9522
P3356
P5192
P12171
P2030
P2848
P6099
P11590
P5201
P6963
P7149
P7861
P4981
P3012
P3518
P2148
P7455
P7357
P1648
P4089
P5515
P10878
P4022
Atom HG3 of residue 72
Atom CE of residue 1
P7
Atom N of residue 6
P6712
P2594
P4793
P6439
P3328
P7768
P6006
P6962
P5819
P2428
P8068
GLU
P1835
P3928
P7055
P4028
Atom HB3 of residue 41
P5466
Atom HG3 of residue 37
P2296
Atom HG23 of residue 36
P3593
P2983
P3489
P8428
P7797
P2709
P2312
P3334
P8497
P332
P3215
Atom CG of residue 58
P5942
P2021
Atom N of residue 63
P4012
P4593
Atom H of residue 69
P3156
P7927
P1714
P6126
P4329
P4696
P7240
Atom HE21 of residue 62
P6340
P2455
P8558
P2679
P3318
Atom CG1 of residue 5
P4088
DistancePairScore 0
P3395
P5073
P3394
von Mises sufficient 9
P4868
P2072
P5931
P2859
P3298
P7676
P4611
P1725
P7084
P2887
P3763
P2344
P2213
P4772
Atom CG2 of residue 44
P6810
P1757
P8167
P5257
Atom CE of residue 63
Atom HG1 of residue 12
Atom H of residue 27
P4116
P7942
Atom O of residue 11
ILE
P4344
Atom OG of residue 65
P5941
P7675
P5183
P4164
P5858
P5420
P6006
P6926
Atom OE1 of residue 41
P2022
P4725
P1649
P7216
P2045
P8539
P5220
P9523
P12172
P4837
P7610
Atom C of residue 10
Atom CD1 of residue 30
P2865
P11591
P7150
P4446
P7862
Atom HD13 of residue 3
P5720
P1810
P2429
P7456
P4204
P1770
P4051
P7601
P3865
P13395
P5202
Atom HB3 of residue 24
P8559
P1410
Atom HD21 of residue 71
P3260
P7173
Atom HB3 of residue 73
Atom CA of residue 27
P2823
P3357
P5193
P5969
P2849
P1340
P8069
Atom HB2 of residue 27
P5932
P1858
P6964
P2132
P4982
P3013
P3519
P2680
P7358
P8429
P5859
P4090
P5516
P10168
P10879
P4023
P2031
P5943
P2595
P6991
Atom NZ of residue 63
Atom CA of residue 34
Atom HA of residue 69
P8078
P1836
P1715
P4794
P6440
P3929
P3329
P6007
LYS
P2297
Atom H of residue 36
P2513
P6713
P12912
P7928
P7769
P4029
P5074
Atom HB3 of residue 29
P5467
Atom OD2 of residue 58
P3594
P2984
P5449
P3490
P5260
P8540
P2710
P3335
P3216
P2149
P5184
P4013
Atom O of residue 10
P4594
P3157
P4330
P4697
P7241
P6100
P6341
P3319
P8168
P4089
P3396
P5221
Atom ND1 of residue 15
Atom CA of residue 98
P2311
P6963
P5820
P3395
P6127
P1726
Atom HE22 of residue 62
P7943
P2860
P6007
P7056
Atom HD2 of residue 72
P6927
Atom H of residue 68
P4612
P2888
P3764
P7
P8376
P4773
Atom HA of residue 36
P7611
P4117
P2073
P7798
P2313
P4345
P2454
Atom HG2 of residue 41
Atom CD1 of residue 44
P6811
P4165
P5421
von Mises sufficient 14
P7602
P1332
P4726
Atom HG of residue 73
P7217
P5194
P7677
P1
P5261
P7085
P1859
P5860
P9524
P3299
P2866
P13397
P11592
P7151
P4447
Atom N of residue 25
P2514
P12913
P7359
P4205
Atom C of residue 27
P1323
P2824
P5517
P4052
P3866
P5203
P12173
P1337
P7863
P8560
Atom HG2 of residue 29
P1411
Atom HD2 of residue 37
P7676
P3261
P7174
P7929
P8269
P3358
P6008
P2133
P5970
P2850
P7457
P8070
Atom HD3 of residue 11
Atom HD13 of residue 69
P263
P3014
P3520
Atom HD13 of residue 15
P2681
Atom HB3 of residue 27
Atom HA of residue 32
P4091
P10169
P4024
P2345
P2214
P5721
P2596
P4836
P1758
P5260
P8079
Atom CA of residue 37
P4795
P6441
P3330
P2032
P257
Atom HD2 of residue 33
P5944
P1559
Atom H of residue 63
Atom HB2 of residue 69
ListSingletonContainer481
Atom HG2 of residue 1
P4030
P5075
P6964
P5821
P5468
Atom CA of residue 43
P3595
P2985
P5450
P3491
P1716
P6128
P2046
P3
P8541
P2711
P3930
P6965
P7057
P3336
Atom CB of residue 20
P4983
Atom CA of residue 6
P3217
P2150
Atom HA of residue 68
P5185
P4014
P3158
P4331
P4698
Atom HG21 of residue 36
P6101
P6342
P10880
P2
P8377
P3320
P8169
Atom C of residue 34
P4090
P3397
P5222
Atom HG3 of residue 41
Atom H of residue 65
P333
P5942
Atom CA of residue 9
P6990
P3396
Atom HB3 of residue 32
P1771
P5933
P2861
P5422
P2
P2297
P6928
P2298
P6714
P7218
P4613
P3
P2074
P2889
P3765
Atom HD22 of residue 69
P7678
P7770
P4774
P7612
P8430
P1837
P8270
P4118
P7242
P0
P7086
P7944
P7799
P6008
P13398
P4346
P1353
Atom HB of residue 36
Restraint 142
P5261
P4166
P2314
P7603
P12174
Atom OG of residue 20
Atom HD3 of residue 72
Atom C of residue 6
Atom HD3 of residue 37
P7677
P4727
Atom HD11 of residue 44
Atom CA of residue 11
P3300
P33
P5971
Atom H of residue 44
P7458
Atom C of residue 7
P8080
P5262
Restraint 106
P2867
P5204
P4448
Atom C of residue 1
Atom HA of residue 65
P1412
GaussianProcessInterpolationRestraint 31
P5943
P2430
P12914
P2023
P1560
P4206
P2
LYS
P10170
P4053
P3867
Atom HD3 of residue 72
P8264
P5722
P3262
Atom H of residue 58
P4872
P7175
P1650
Model 379
Restraint 166
P5518
P3359
P6442
P2456
Atom HG3 of residue 29
P2851
P6812
Atom HD21 of residue 15
P7360
Model 268
P2346
P2215
P2298
P3015
P3521
P2682
P1759
P5451
Atom C of residue 37
P4092
P11593
P6966
P4025
P7152
P6009
P4984
Atom HE of residue 72
Atom HE2 of residue 33
P2597
Model 372
P4796
P1772
P9525
P6102
P6343
P10881
P3331
Atom O of residue 34
P2047
P1326
P7864
P4031
P6965
P5822
P5469
P1354
P2151
P8071
P3596
P2986
Atom HD12 of residue 44
P3492
P8431
P1717
P6129
P1723
Atom HG23 of residue 36
P5934
P2712
P5195
P7058
P3337
P8561
P3218
Atom OE2 of residue 16
P4015
P3159
P4332
Atom HG21 of residue 14
P4699
Atom H of residue 20
P2134
P2515
P6992
P3321
P1838
P4091
Atom N of residue 33
P3398
P7800
P1860
Atom C of residue 11
P6009
Atom O of residue 41
P8265
P2299
P3397
Atom HG2 of residue 27
P0
P2862
Atom NZ of residue 97
P5076
P6715
P5945
Atom CG of residue 18
P4614
P2890
P2825
P3766
P7679
P7771
P4775
Atom HA of residue 44
P5187
P1651
P8271
P4119
P7243
P7087
P7945
P5861
P5423
P13399
P4347
Atom H of residue 24
P5944
P2431
P8170
P5262
P7219
P4167
P6
P8542
P5224
P3931
P2033
P8378
P7678
Atom HA of residue 58
P4728
P7930
P3301
P12175
Atom O of residue 6
Atom HB2 of residue 65
P6929
P2024
P7459
P7361
Atom HA of residue 13
Atom HA of residue 73
P5258
P1773
P2315
P2868
P4449
Atom CG of residue 41
Atom HB2 of residue 68
P7613
P4207
P2075
P4054
P3868
P11594
P7153
P6010
P5972
P5723
P3263
P4873
P7176
P1319
P3360
P5196
Linear1DFunction 18
P7604
P2852
P6813
P5424
P10171
MolecularDynamicsMover6
P3016
P3522
Atom HG12 of residue 36
P2683
P8072
P8081
P6130
Atom CA of residue 63
P1861
Atom CD2 of residue 20
P4093
P6967
P4026
P4985
P8562
P12916
P2598
P4797
P5935
P9526
P10882
P3332
P6993
Atom CD of residue 18
P5452
P1724
P5205
P8379
P7865
P7772
P4032
P5470
P3597
P2987
P3493
Atom HG3 of residue 27
P8432
P2713
P5519
P6103
ListSingletonContainer382
P3338
P8266
P5077
P3219
P6716
SingletonConstraint 4
P4016
P3160
P1718
P4333
P4700
Atom HA of residue 41
P2216
GaussianProcessInterpolation63
P3322
Atom H of residue 16
P1839
P4092
Atom HG22 of residue 14
P3399
P2135
P8171
P7220
P3398
P7244
P8543
P2826
P2863
P6010
P6443
P2347
P6966
P5823
Atom N of residue 38
Atom HB3 of residue 68
P5946
P4615
P7931
P2048
P2891
P7801
P5425
Atom N of residue 98
P3767
P7059
Atom HG2 of residue 72
P4776
P6930
P2432
P4120
P5862
P13400
Atom HG of residue 69
P4348
P2034
Atom CD of residue 41
P1415
P2299
Atom HG2 of residue 42
P7614
P5258
P4168
P2076
P5259
P6344
Atom HA of residue 24
P5973
P5945
P2053
P4729
Atom HG2 of residue 19
P7605
P2457
P2152
P6814
P10172
P2869
P4450
P7680
P5
Atom C of residue 43
Atom HG13 of residue 36
P7362
P4208
Atom HB of residue 13
P8273
Atom C of residue 63
P7088
P7946
P4055
P3869
P11595
P7154
Atom HD2 of residue 11
SingletonScore 8
P3264
P5186
P7177
PairScore 1
P1561
Atom HG1 of residue 55
Atom HD11 of residue 36
P9527
P2316
P3361
P5197
Model 384
P6011
P334
P7679
P2853
GeneralizedGuinierPorodFunction 42
P5453
PRO
P5223
P5206
P7866
P3017
P3523
P2300
Atom HE3 of residue 33
P2517
P2684
P7460
P8073
Atom OD2 of residue 32
P4094
P6104
P4027
P12176
P2599
P4839
Atom HG3 of residue 19
P6131
P4798
P6444
P3932
P3333
Atom HB3 of residue 65
P5724
P6994
P1862
P8380
P4033
P264
P5471
P2433
P1652
P3598
P2988
Atom H of residue 18
P3494
P2714
P5520
P3339
P2348
P2217
P5078
P6967
P5824
PRO
P3220
P5947
P4017
PHE
P3161
P7932
P4334
P4701
P7802
P6345
ListSingletonContainer482
P6968
P7060
Atom HH11 of residue 74
P4986
Atom HB of residue 44
P3323
Atom N of residue 34
P4093
P5936
P3400
P3302
P10883
P13401
P6717
P12915
P8172
P3399
P2055
P2864
P0
P5259
P7221
P4616
P8082
P8434
P1840
Atom HG21 of residue 13
P2892
P3768
P1324
P4777
P1416
P2300
P6931
Atom HD1 of residue 68
Atom HD2 of residue 42
P1562
P4121
P7245
Atom NZ of residue 33
P4349
P7681
Atom OD1 of residue 58
P7615
P4169
Atom O of residue 63
P7089
Atom HD3 of residue 11
P2153
P2301
P6
Atom CD2 of residue 73
P4730
Atom HG21 of residue 55
P1719
Atom HG3 of residue 63
Atom HD12 of residue 36
P7606
P1378
P2136
P5974
Atom CB of residue 43
P7680
P8544
P2827
P1774
P6011
P2870
P4451
Atom HZ1 of residue 33
P5188
P7461
Atom HG22 of residue 23
P4209
Atom CG of residue 19
P7947
P10173
P4056
P3870
P3265
P6815
P4840
P7178
P1653
P1981
P5225
P3362
P2035
P7773
Atom HG of residue 65
P5725
P2854
P0
P5207
Atom OE1 of residue 41
Atom N of residue 21
P3018
P5946
P3524
Atom HG12 of residue 44
P2685
P5454
Atom HA of residue 27
P5340
P9528
P2317
P4095
P5521
P3933
P4028
P12177
P2458
P8299
P0
P2600
Atom CA of residue 45
P4799
P2077
P6445
P6105
P3334
P11596
P6969
P7155
P1379
Atom N of residue 4
P7867
Atom HH12 of residue 74
P4987
P7363
P6995
Atom HD2 of residue 19
P8272
P3303
P5199
P10884
P4034
P5472
P6718
P1317
Atom H of residue 73
Atom CD of residue 19
P3599
P2989
P3495
P2715
P3340
P6012
P6968
P5825
P3221
P8074
P4018
P3162
P4335
P4702
P8545
P1863
P5426
P6346
P52
P7061
P2518
P12917
P5
P3324
Atom HB3 of residue 18
P4094
Atom CD of residue 42
P2895
P5937
P3401
P7803
P2349
P5948
P3400
P1841
P6132
P2865
P1824
P4617
Atom HD2 of residue 63
P2893
Atom N of residue 34
P3769
ASP
Atom HE1 of residue 59
P5079
P2137
P4778
Atom CG of residue 43
Atom CA of residue 5
Model 402
P4122
P4350
P7682
P8381
P5189
P4170
P7933
P1720
P7090
P1775
Atom HD2 of residue 68
P6816
P4731
P8173
P2828
P7948
P5226
P7681
P1310
P6012
P2871
P4452
Atom NE2 of residue 41
P6932
P2302
P6996
P4210
P7222
P1982
P8433
P5341
P9529
P4057
P3871
P12178
P1380
P2036
P2218
Atom HE2 of residue 11
P1413
P2301
P3266
P2434
P4841
P7179
P7616
Atom C of residue 26
P2078
P3363
P13402
P11597
P7156
P7868
P7774
P5726
P2855
P7462
P8083
ListSingletonContainer403
P7607
P5208
P3019
P5947
P3525
P12918
P2686
P1654
Atom HD12 of residue 23
Atom C of residue 45
P7246
Atom N of residue 63
P4096
P1686
P4029
P8300
P5975
P335
Atom CA of residue 38
Atom HG13 of residue 44
P2601
P8075
Atom O of residue 12
P8274
P4800
P5427
P3304
P3335
P6970
Atom OE2 of residue 16
P4988
P2154
P7364
P5938
P5522
P10174
P10885
P3934
P4035
P5473
P5949
P2895
P3600
P2990
P3496
P4097
P2716
P1864
P3341
P6013
Atom HE3 of residue 11
P3222
P6719
P8503
Atom HA of residue 73
Atom HA of residue 19
P4019
P3163
P4336
Atom CB of residue 26
P4703
P8546
Atom HE2 of residue 59
P5080
P2519
P3325
Atom HG22 of residue 55
P5455
P3
P4095
P2896
P3402
P6447
P8382
P2459
P3
Atom HG2 of residue 18
P3401
P7934
P6133
P2866
P6106
Atom HD3 of residue 42
P8174
P4618
P5198
P3770
P2350
P4779
P6969
P5826
P4123
P2318
P6013
P6348
P13403
P7062
P4351
P6933
Atom HE2 of residue 1
P5190
P1563
P4171
P2219
P2138
P4732
P7617
P2609
P7804
P5227
Atom CZ3 of residue 62
P2
Atom HD3 of residue 33
Atom HE1 of residue 68
P6817
P8084
P8435
Atom HG22 of residue 36
P2872
P7608
P5209
P4453
Covariance1DFunction 10
P2302
P5948
P4211
P7223
bonded
P7247
P7949
P4058
P3872
P7683
P1330
P3267
P4842
P7180
Atom HD13 of residue 44
P8275
P7091
P9530
P3364
P11598
P7157
Atom HH21 of residue 74
P8268
Atom CG of residue 4
P5976
P2155
P2303
P2856
P7365
P1842
P1776
P5523
P1687
P12179
P7869
P1414
P3020
Atom C of residue 38
P7682
P3526
P12919
P2687
P1655
P4098
P2079
P8194
P4030
P6014
P133
Atom O of residue 43
P8504
P2602
P8076
P1721
P4801
P3336
P1525
P2829
P10175
Atom H of residue 16
P4036
P5727
P5474
Atom HG21 of residue 44
P2435
P7463
P2896
P3601
P2991
P3497
P7935
P6134
P2717
P3305
P1351
P3342
P3223
Atom HE of residue 42
P5950
P1564
P4020
P3164
P4337
Atom HD3 of residue 63
P4704
P5342
P2037
P5081
P6970
P5827
P3326
P5456
P4096
Atom CG1 of residue 26
P2897
P3403
ListSingletonContainer491
P6971
P7063
P2460
P7775
P4989
Atom H of residue 18
Atom N of residue 56
P3402
P1983
Atom HG23 of residue 23
P2867
P5428
P5200
P6107
P10886
P8269
P6934
P6997
P8175
Atom HZ2 of residue 11
P4619
P2610
P1777
P5939
P2319
P3771
P3
Atom HD12 of residue 15
P4780
Atom HE21 of residue 41
P2520
P8436
P4124
P8197
P3935
P13404
P4352
P2351
P2437
P6720
P5191
P7224
P4172
P1423
THR
Atom CA of residue 95
P7684
Atom HH of residue 59
P5977
Atom HB2 of residue 73
P4733
P4843
P7618
P7092
P8547
P7805
P5228
P6014
P6446
P8383
Atom CB of residue 41
Atom HH22 of residue 74
Atom O of residue 12
P1865
P2873
P7609
P4454
P12180
Atom CH2 of residue 62
P7776
P2220
P2139
P2303
Atom O of residue 38
P7683
Atom HG12 of residue 23
P4212
P1526
Atom N of residue 45
P7950
P5343
P10176
P4059
P3873
P1352
P5728
P3268
P2304
P7181
P1843
P1722
P8276
P3365
P6347
Atom N of residue 2
P5949
Atom HB3 of residue 1
Atom N of residue 42
P2857
Atom CD of residue 41
P8085
P1330
P2830
P3021
P3527
Atom HG22 of residue 44
P2688
Model 74
P5524
P4031
Atom N of residue 60
P2156
Atom C of residue 59
P6818
P8505
P2603
P7366
P1656
P1984
P4802
P7248
P5429
P3337
P2038
P12920
P7464
P6998
P5457
P8194
P2080
P5940
P1866
P11599
P6972
P7158
P4037
P6015
P4990
P5475
P0
P1566
P2897
P2992
P3498
P2718
P9531
P5201
P6108
P10887
P3343
P8384
Atom HG21 of residue 36
Atom N of residue 8
P3224
P4021
P1424
P3165
Model 204
P4338
P4705
P2320
Atom C of residue 95
P1688
P2461
P7870
P7777
P6971
P5828
P7
Atom HB3 of residue 73
P3327
P8077
P6135
P2898
P3404
P7064
Atom CE of residue 29
Atom N of residue 69
P5192
P3602
Atom NZ of residue 29
P3403
P2868
P5210
P8270
Atom CA of residue 38
Atom CB of residue 59
P4620
P2675
P8548
P7806
P5229
P6015
P3772
P4781
ASP
P2436
P8437
P7936
P4125
P8198
P4353
P5082
Atom HD13 of residue 15
P336
Atom NH1 of residue 42
P6721
P5951
P4173
Atom N of residue 26
P3306
P6448
P7685
ILE
P4734
Atom HG22 of residue 30
P8197
GeneralizedGuinierPorodFunction 6
P7249
P7093
P133
Atom HB2 of residue 58
P2140
P5950
P6935
P8176
Atom OE1 of residue 41
P7225
P8086
Atom HG22 of residue 23
P2874
P4455
Atom CG2 of residue 3
P7684
P1334
P4213
Atom HA of residue 29
P8199
P5344
P6349
P4060
P3874
P13406
P1
P12181
P5729
P3269
P2521
P7367
P7182
P8277
P3366
P3936
P1355
P2221
P4
Atom CB of residue 38
Atom CA of residue 39
P2858
P12921
Atom HG3 of residue 42
P7619
LEU
Atom CD of residue 18
Atom HE3 of residue 63
P2831
GaussianProcessInterpolation6
P11600
P5211
P7159
P2352
P6016
P3022
P3528
P2689
P1723
P7610
P4032
LEU
P6819
Model 343
P8506
P2604
Atom N of residue 60
P2081
P7951
P5202
P3338
P2039
ASN
P7465
P6999
P8078
P6136
P1778
P1867
P6973
Atom HG12 of residue 26
P4038
P4991
P5476
Atom NZ of residue 29
P2898
P2993
P1985
P3499
P2719
P9532
P5430
Atom O of residue 95
P1689
P10888
P3344
P8385
Atom HB3 of residue 58
P3225
P4022
P5458
P3166
P2676
P4339
P4706
P1359
P7871
Atom HG22 of residue 36
P4
P2157
P4844
P1565
P3328
PRO
Atom OG1 of residue 66
P1844
P7937
1G6J_MODEL1.pdb
P2899
P3405
P5525
P6109
P5083
Atom C of residue 38
Atom HB of residue 13
P2305
Atom CG of residue 59
P6722
P3603
P3404
P2869
P6449
Atom N of residue 63
P5978
P2304
P6854
P1657
P4621
P3773
Atom N of residue 75
P4782
P2522
P8177
P7226
P1425
P8438
P4126
P2321
P10177
P6016
ListSingletonContainer478
P4354
Atom HG21 of residue 26
P134
P6972
P5952
Atom CA of residue 56
P4174
P8200
P7807
P6350
P7065
P6936
P4735
P8198
P2677
P8278
P2222
Atom CG of residue 38
Atom C of residue 39
P7620
Atom CG2 of residue 66
Atom HB2 of residue 29
ASN
P8087
P1846
P2875
P4456
Atom O of residue 38
P5951
Atom HG23 of residue 44
LEU
P4214
P7250
P7094
P8549
P5941
P4061
P3937
P7611
P3875
P8271
P3270
P6820
P8507
P4845
P7183
P1527
P3367
P1360
P7686
P2462
P2353
P2859
P5193
P7368
Restraint 66
Atom C of residue 14
P3307
P11601
P5212
P7160
P3023
P3529
P2803
P1568
P5230
P9533
P4033
P6017
Atom HD1 of residue 4
P7685
P2605
P2832
P7952
P5345
P5203
P3339
P7872
P7778
P2158
ARG
Atom HG of residue 73
P8079
Atom CA of residue 19
P1724
P6110
P13405
P12182
P4039
Atom CA of residue 75
P5477
Atom OE2 of residue 18
P2899
P2994
P3500
P6137
P2720
Atom N of residue 96
TRP
P3345
P2040
P2141
P5979
P2305
P6855
P5730
P3226
P4023
P3167
P4340
Atom HZ1 of residue 63
P4707
P1868
Atom N of residue 59
P2306
P3329
P1986
P8439
P2900
P8550
P3406
P5526
Atom HG22 of residue 26
P5084
P6973
P2
P5953
P7466
P7001
P1658
P3604
P3405
P7938
Atom H of residue 23
P7808
P2870
P6450
P6974
P7066
P4992
Atom H of residue 54
Atom HD11 of residue 44
P12922
P0
P4622
P1779
ListSingletonContainer364
P10889
P3774
Atom HG of residue 56
Atom CA of residue 60
P4783
P2438
P6723
Atom C of residue 56
P8178
P1528
Atom NE2 of residue 41
P4127
P5942
P10178
P4355
Atom H of residue 18
P5194
P7227
P4175
Atom O of residue 50
P2082
P7095
P5431
LYS
P6351
P1358
P8386
P8272
P6937
Atom CD1 of residue 59
P4736
P5459
P1426
P2678
Atom N of residue 45
P5231
P1690
P7687
P337
P7621
P2876
P4457
Atom HD11 of residue 73
P4215
Atom H of residue 66
Atom CA of residue 60
P7251
P2322
P4062
P3938
P7612
P3876
Atom HB2 of residue 54
P7686
P3271
P4846
P7184
P1847
Atom O of residue 14
P5346
P3368
P3308
P6017
Atom HD12 of residue 56
P7779
P1353
P2860
P7953
P13408
P2463
Atom HG23 of residue 36
ListSingletonContainer4
P3024
ScoreState 31
P3530
P6821
P8088
Atom CG of residue 50
P2833
P5204
ListSingletonContainer404
P4034
P2041
P5980
P5731
P2606
P1725
Atom HZ2 of residue 63
P8195
Atom CA of residue 45
P3340
P5213
Atom C of residue 75
Atom HG1 of residue 7
P5952
P12923
P2
Model 273
P9534
P5527
P12183
P4040
P2142
P2306
P5478
P7467
P2900
P2995
Atom H of residue 41
P5460
P3501
P8279
P2721
P1869
P6111
P4
P11602
P6975
P7161
P3346
P2354
P4993
P6856
P3227
Atom CG of residue 29
P2523
P7369
P4024
Atom CG of residue 29
P1987
P3168
P4341
P4708
P5432
P10890
Atom CA of residue 63
Atom CB of residue 27
P6724
P3330
P2901
P8551
P5943
P3407
P7873
P6018
P2223
P6974
Atom O of residue 39
P8508
P8080
P3406
P2871
P6451
P7067
P1363
P8387
Atom C of residue 60
GeneralizedGuinierPorodFunction 20
Atom CD2 of residue 59
P1541
P4623
P7809
P1691
P3775
Atom HG21 of residue 7
P4784
Atom HB2 of residue 38
Atom HB2 of residue 4
Atom HD12 of residue 44
P1354
Atom HA of residue 18
P5954
P6138
P4128
P2083
Atom HD12 of residue 44
P4356
P5195
P4176
P1427
P6352
P2464
P5085
P2159
P4737
P3076
P5232
Atom CA of residue 96
P7688
TYR
P7000
P7939
P7096
P2877
P13409
P4458
P7780
Atom HD11 of residue 36
Atom HB3 of residue 54
P2307
P6822
P1569
P8179
P4216
P8089
Atom CD1 of residue 50
P1780
ListSingletonContainer203
P4063
P3877
Atom HD13 of residue 56
P7687
P3272
Atom CD of residue 27
Atom HD12 of residue 73
P7185
Atom HB3 of residue 25
P8440
P8280
Atom C of residue 45
P5433
P3369
P6018
P5214
P6938
P2861
Atom HG23 of residue 55
P7228
P1319
P12184
P8273
P3025
P3531
P4847
P1659
P7622
P10179
P3309
P11603
P4035
P7162
P1364
Atom HA of residue 26
P5732
P8509
P2607
P8196
P7252
P7954
P3341
P7613
P5953
P2524
P2439
P12924
Atom HG22 of residue 3
P2355
P4041
P2224
Atom H of residue 4
P5479
Atom CB of residue 39
Atom CD of residue 29
P7468
P1
P8081
P2901
Atom HA of residue 66
P2996
Atom C of residue 60
P3502
JeffreysRestraint_P0
P2722
P6452
P6976
P3347
P4994
P6857
P3228
Atom CG2 of residue 3
P7370
Atom HD22 of residue 25
P4025
Atom HA of residue 41
P3169
P4342
P4709
P5528
P10891
P2307
Atom HB3 of residue 38
P2309
P5955
P3331
P2902
P3408
P5347
P27
Atom C of residue 59
P6019
P5981
P1315
P6725
P6149
Restraint 47
P3407
P1848
P5944
P2332
P2872
P10180
P6353
P5086
Atom HE22 of residue 62
Model 30
P4624
P1692
P3939
P3776
P7874
Atom O of residue 75
P8274
P4785
P3
P8441
P6139
P0
P4129
P2834
P9535
P5205
P6112
P4357
P7781
P2160
P8180
P1529
P4177
P1726
P1781
P2143
P6975
P4738
P7002
P1660
P5461
P6019
P7068
P2042
P6939
P1570
P7940
P8552
P2878
P13410
P4459
P1361
P8388
P2440
P4848
P7623
P4217
P1988
P8090
P7810
P4064
P3878
Atom HD12 of residue 36
P68
P3273
P6823
P5197
P7186
P8281
Atom HE2 of residue 63
P2084
P5348
P3370
ListSingletonContainer362
P7614
P5215
P5954
P2862
P7229
P4099
Chain A
Atom HD13 of residue 44
P5234
P10181
P7689
Atom HA of residue 4
Atom CA of residue 1
P3026
P3532
Atom HE22 of residue 41
Atom N of residue 63
Atom HB of residue 66
Atom O of residue 60
P3
P7097
P11604
P4036
P7163
P6858
Atom HG22 of residue 13
P8510
P2608
P7371
Atom N of residue 26
P2614
P7253
P7955
P9536
P5529
P3342
P12185
P7688
P1428
P1362
P4042
P6020
P5982
P5480
Atom HD12 of residue 23
P8082
P2902
P6150
P2997
P3503
P2723
P5206
P3348
Atom N of residue 5
LEU
P338
P3229
Covariance1DFunction 94
Atom HB3 of residue 25
Model 165
P4026
P1530
P3170
P4343
P4710
P1315
P3940
P8389
P7875
Atom H of residue 75
Atom CZ of residue 54
P5733
P3332
P1849
P6140
P2903
P3409
Atom C of residue 5
Atom HD13 of residue 44
P12926
P5956
Atom O of residue 6
P3408
P2873
P3310
P49
P8
P5087
P6976
P2310
P2525
P7469
P7003
P5462
P4625
Atom C of residue 50
P2835
Atom CB of residue 95
P3777
Atom HB2 of residue 56
P6977
P7069
P2043
P8275
P4995
P4786
P8442
P7941
P1727
P4130
P8553
P5434
P6113
P10892
P4358
P2144
Atom HD13 of residue 23
P8181
P4178
P1693
P13407
P2465
P2225
Atom O of residue 59
P4739
P1326
Atom HB2 of residue 41
P2329
P2308
P6940
P6726
P7230
P1989
P4100
P5945
P6453
P2879
P4460
P7690
P2356
Atom CA of residue 27
P1661
P7624
P4218
P2085
P7098
P7811
P6020
P4065
P3879
Atom HG23 of residue 22
P3274
P7187
P5349
P3371
P7615
P5216
P12186
P7689
P2161
Model 123
P2863
P1429
P7254
P1782
P6354
P28
P1356
Atom CD of residue 16
Atom CG1 of residue 23
P5983
P3027
P3533
P6151
P4037
P5955
Atom N of residue 45
P1330
P8091
P2615
P2330
P3343
P5734
Atom CD of residue 38
Atom HG23 of residue 13
P2441
P8283
P5530
Covariance1DFunction 54
Atom O of residue 59
P4043
P5481
P2526
P6824
P5196
Atom N of residue 26
P2903
P2998
P3504
Atom N of residue 25
P2724
P5207
P3941
P3349
Atom N of residue 23
P3
P3230
Atom CD2 of residue 83
P7470
P4027
P3171
P4600
P4711
PairRestraint 0
P5233
P11605
P6978
P7164
P8390
P7876
P6021
P4996
P8512
P7372
P3333
P5463
P2904
P7956
P3410
P6114
P10893
ListSingletonContainer479
P7782
Atom HD13 of residue 69
P4849
P3409
Model 31
Atom CA of residue 45
P2874
P2466
P2226
P1411
P6977
P7004
P8083
P4626
P6141
P3778
P7070
Covariance1DFunction 47
Atom CD1 of residue 23
P4787
Atom O of residue 58
P1586
Atom HG1 of residue 66
Atom OD1 of residue 60
P4131
P9537
P5435
P1694
P6454
P4359
P1357
P4179
P7812
P6021
P6355
Atom N of residue 24
ASP
Atom CG1 of residue 13
P4740
P7942
P50
P7635
P1
P5217
P2358
P5088
P6859
P2311
P6727
P12925
P5957
Atom HB3 of residue 41
P4101
P5946
P10182
P3311
P2880
P4461
P7691
P7783
Atom HB2 of residue 4
P4219
P8444
P1845
P7099
P4066
P3880
P5956
P3275
P7188
P8182
Atom H of residue 25
P7231
P8092
P1728
Atom CA of residue 25
P8554
P3372
P8276
P69
P7690
P2864
Atom CB of residue 60
P4850
P2836
P12187
Atom CB of residue 59
P3028
P3534
P2162
P6941
P8361
P4038
Atom OE1 of residue 16
P2145
Atom H of residue 40
P2309
Atom HA of residue 38
P1664
P7625
LYS
P4601
P7255
P2331
P5436
P3344
P11606
P7165
P2044
P7877
GLY
P6022
P5735
P5198
P2
P5350
P7616
ILE
Atom HD21 of residue 69
P4044
P5482
Atom CB of residue 58
P6825
Atom CA of residue 84
P2904
P2999
P1990
P3505
P2725
P5235
P3350
P2359
P6860
P3231
Atom CA of residue 21
P7471
P8084
P4028
P3172
P6142
P2023
P4712
P1783
Atom C of residue 21
P6979
P4997
P5984
Atom CA of residue 52
P3334
P6152
P1531
Atom ND2 of residue 60
P2616
Atom C of residue 45
P2905
P7957
P3411
P9538
P10894
P3942
P2467
P1412
P339
Atom N of residue 75
P3410
P1430
P2086
P8555
P2875
Covariance1DFunction 72
P70
P2442
Atom CG2 of residue 13
P7373
P7005
Atom HG21 of residue 66
P4627
P7943
P8282
P5531
P5209
P6115
P3779
P5089
P4788
Atom HG22 of residue 23
P6728
P4132
P5947
P10183
P6455
P4360
P7784
P2227
Atom HB3 of residue 4
P1587
P4180
P5464
Atom H of residue 8
P6356
PHE
P12927
P8511
P4741
P8183
P7232
P3312
P6022
P8391
P8277
P6978
P5958
P4102
P2837
P7813
P2881
P4462
P7071
P2045
GaussianProcessInterpolation31
P6942
P4220
Atom C of residue 25
P8362
P4067
GaussianProcessInterpolation38
P3881
P2146
P3276
Atom ND2 of residue 60
P7189
P7626
P8093
P3373
P146
P5957
P2865
P5199
P4851
P1578
P1729
P5351
P2335
P7617
Atom HA of residue 40
P2310
P3029
P3535
P6826
Atom O of residue 63
P1532
P1991
P5236
P5437
P4039
P7692
Atom N of residue 73
P2468
Atom HZ2 of residue 33
P4602
P2087
P7256
P7100
P1695
P3345
P11607
P7166
Atom HG3 of residue 1
P5985
P2527
P1665
P6153
Atom HG2 of residue 41
P8443
P7878
P4045
P6023
P5483
P7691
GLY
Atom C of residue 21
P2905
P3000
P3506
P1431
P2024
P7958
P2726
P9539
P5218
P3351
P71
P6861
Atom CG of residue 58
P3232
Atom C of residue 52
P2443
Atom HA of residue 25
P7374
P7006
P8085
P4029
P3173
P4713
P6116
P12188
P3335
P6143
P2617
P2906
P3412
P5736
P3411
P8284
P8556
P1784
P2876
P10184
P8363
P2163
Atom CA of residue 45
P12928
P4628
P5532
P2
P3780
P8392
P5090
P4789
P6979
Atom HA of residue 19
P5959
P7472
P7944
P4133
PairScore 4
P7814
P2336
P6456
P6980
P7072
P4361
P2360
P4998
Atom O of residue 21
P8513
P4181
P5465
P1579
P10895
P7785
P4742
P8184
P5948
P2228
P1413
Atom CB of residue 23
Atom CG of residue 49
P7233
P4103
P3943
P2882
P4463
P6943
P6729
P4221
P5438
P3313
P5208
P4068
P3882
P7693
Atom HD22 of residue 69
PHE
P3277
P2528
Atom C of residue 84
P7190
P7627
Atom N of residue 45
P7101
P2838
P3374
P6358
P2046
Atom H of residue 1
P2866
P5200
Atom HG3 of residue 41
P7618
P2147
P398
Atom N of residue 34
P3030
P7692
P3536
Atom CB of residue 60
P4
P0
P5237
P1696
P6023
P5219
P4040
P8278
P1588
P8445
P4603
P3346
P72
P2320
P6827
Atom CD of residue 49
Atom HG22 of residue 66
P1992
P8094
Atom CA of residue 59
P4046
P5986
P5737
P5484
P4852
P2906
P6154
P3001
P3507
P8285
P2088
Atom HG2 of residue 24
P2727
P10185
P7167
P3352
P1679
P1332
P3233
P5958
P2164
Atom CB of residue 4
P7375
P4030
P3174
Atom HA2 of residue 35
P4714
P5533
P12189
P4861
Atom HB2 of residue 19
P7473
P3336
P1432
P2618
P7264
P1560
P2907
P7959
P3413
P6457
P6117
P11608
P6981
P2361
Atom CA of residue 45
P4999
P399
Atom HD1 of residue 4
Atom OD1 of residue 58
P2308
P8514
Atom HG11 of residue 5
P3412
P5466
P5352
P2877
P10896
P6
Atom H of residue 12
P12929
P4629
P5949
P9540
P3781
P7879
P6024
P4790
P6980
P6862
Atom H of residue 60
P8086
P1
P4134
P8502
P7073
P4362
P8279
Atom HE2 of residue 1
P2444
P4182
P2058
P7815
P2469
P2229
P1414
Atom HB2 of residue 40
Atom O of residue 52
Atom O of residue 84
P5960
P4743
Atom CB of residue 63
Atom HG23 of residue 66
P1732
P6144
P2025
Atom HH11 of residue 72
P1589
P1580
P5210
P2883
P4464
P5091
P0
P7007
P1662
Atom CG of residue 11
P4222
P8557
P1785
P4069
P3883
P7694
P8393
P4862
P3278
Atom C of residue 45
P7191
P8446
P7945
P7102
P4
P2333
P5439
P3375
Atom OD2 of residue 21
Atom HD1 of residue 4
P340
P2867
P6828
P6730
P5201
P8185
P8095
Atom HA3 of residue 35
PHE
P5353
P7786
P2148
P2321
P3031
P7693
P3537
Atom CA of residue 75
P4853
P5238
P6024
P5220
P4041
P7168
P2047
P6944
Atom HA of residue 60
P7376
Atom C of residue 19
P7234
Atom CG of residue 60
P7257
P8503
P3944
P3347
P12190
P7628
P2839
P13503
P11609
Atom HB2 of residue 20
P1680
P4047
Atom HD2 of residue 4
Atom HB3 of residue 40
P5738
P5485
Atom OD2 of residue 58
Atom OE1 of residue 49
Atom CG of residue 63
P8087
P2907
P1533
P3002
P3508
P8286
P2728
P3314
P6357
P7619
P3353
Atom HD23 of residue 69
Atom HB2 of residue 2
P3234
P5959
P4031
P1993
P3175
P4604
P2059
P4715
P1561
P2334
Atom CD2 of residue 3
Atom H of residue 21
Atom CD1 of residue 61
P6863
Atom HG2 of residue 37
P7474
P3337
P6155
P2619
P2089
P2908
P7960
P3414
P6982
P8394
P5000
GLU
P2165
P8515
P3413
P2878
P5534
P10897
Atom CB of residue 52
P12930
P5961
P7008
P2218
P4630
P1433
P2026
P9541
P1697
P3782
P7880
Atom HD2 of residue 11
P6025
P5987
P4791
Atom O of residue 45
P4135
P5950
P5211
P29
P4363
Atom HB3 of residue 20
P8280
P5092
P2323
P5202
P4183
P1733
P7258
P8558
P1786
P2529
P4744
P6145
P149
P6118
P6731
P1663
P8186
Atom N of residue 67
P5467
P2884
P4465
P6981
Atom HG1 of residue 12
Atom CA of residue 23
P5239
P6025
P4070
P3884
P7074
P4863
P6945
P7192
P1590
P1534
Atom O of residue 19
Atom CG of residue 18
P8447
P1581
P7946
P1502
P8464
P3376
P2470
Atom OE1 of residue 18
Atom C of residue 75
P2868
P2445
P7629
P8096
P7816
P5354
P13504
CHARMMStereochemistryRestraint4
P2048
P7787
P3032
Atom HB3 of residue 19
P3538
P6829
P1434
P10186
P6458
P6359
P3945
P7620
P5221
P4042
Atom C of residue 45
P2149
P5960
P3279
P7235
P2840
Atom N of residue 106
P8504
P3348
P7695
P2615
P1415
Atom HB2 of residue 60
P7377
Atom CD of residue 63
P6156
P7103
P11610
P7169
P4048
Atom CA of residue 34
P5486
P8088
Atom N of residue 12
P2219
P2908
P3003
P3509
P8287
P2338
P2729
P5535
P5440
GaussianProcessInterpolationRestraint 6
P12191
P3354
Atom N of residue 5
Atom HG2 of residue 40
P3235
P7694
P12931
Atom O of residue 72
P4032
P3176
P1582
P4605
P4716
P2090
P9542
P1698
P7881
P6026
P2230
P2322
P2530
P3338
P1994
P2620
P2909
P3415
P8395
Atom HG of residue 20
Atom HA of residue 21
P8516
P3414
P5468
P1434
P8465
P2879
P10187
P3
P7
P5739
P4854
P7009
P4631
P6146
P3783
P1681
P5001
P5988
P4792
P2166
Atom HB3 of residue 37
P5962
P4136
P5212
P6459
P4364
Atom N of residue 70
P5093
P400
P6982
Atom N of residue 84
Atom NE2 of residue 49
P7475
P4184
P2027
P1562
P7961
P6983
P7075
P4745
Atom CD of residue 18
P7947
P1503
P3315
P6119
P10898
P2471
Atom CE1 of residue 45
P2446
P6732
P8187
Atom C of residue 23
ASN
P2885
P4466
P7788
P6864
Atom HG2 of residue 19
P6360
P4071
P3885
P5222
Atom O of residue 45
Atom CA of residue 22
P6946
P7193
Chain A
P7236
P8448
P7259
P5951
P3377
P147
P7696
P1416
P2869
P1435
P7630
P1730
P7104
P8559
P7817
P6026
P13505
P8281
Atom HE1 of residue 4
P3033
P3539
JeffreysRestraint_P0
P1591
P8288
P7621
P4043
P12192
P2616
P2353
P341
P7695
P3280
SingletonModifier 4
Atom CB of residue 72
P3349
Atom CE of residue 1
P4864
Atom HB2 of residue 58
Atom HA of residue 49
P4857
P3946
P4049
Atom HB3 of residue 16
P2324
P5487
P5961
P8517
P2909
P3004
P3510
P8097
Atom HG12 of residue 30
P1787
P2730
P5355
P5441
P10188
P3355
P2231
Atom NE2 of residue 31
P1344
P5740
P3236
P2364
P5203
P4033
P3177
P1583
P4606
Atom O of residue 35
P4717
P5536
P5002
P5989
P6865
P6830
P3339
Restraint 162
P2621
P2060
P2910
P3416
P5240
P30
P403
Atom CG of residue 60
P7476
P3415
P8466
P2880
P5213
P11611
Atom C of residue 32
P6984
P7170
P1682
P7882
P6027
P2150
P2167
Atom CB of residue 45
P7378
Model 7
P4632
P8560
P8505
P6120
P10899
P3784
P265
Atom CA of residue 70
P4793
Atom OD2 of residue 52
P6733
Atom CA of residue 63
P4137
P1563
ListSingletonContainer357
P6460
P4365
P6983
Atom H of residue 75
P8089
P6157
P4185
P6147
P2841
P7962
P9543
P3316
P7076
Atom CG of residue 40
P1345
Atom C of residue 22
Atom HG3 of residue 37
P2531
LEU
P4746
Atom HG3 of residue 16
P1537
P8449
P4097
Multivariate Normal distribution 31
P7011
Atom OE2 of residue 18
P2028
P7260
P7818
P6027
P2886
P4467
P8396
P8282
P12932
P7948
P2091
P1504
Atom CA of residue 106
P4072
P3886
Atom HA2 of residue 35
P5094
P2354
Atom CD2 of residue 45
P5963
P7194
P1995
P5952
P3378
P7697
P4865
P7789
Atom HB2 of residue 2
Atom HB3 of residue 58
P2870
P5204
P1593
P1435
P1731
P7105
P6361
P13506
P2617
P2325
P3034
P5962
P3540
P2447
P8188
P7237
P8098
P2061
P5356
P5241
P5442
P1699
P4044
P2472
P1417
P7696
P3281
P3
P5469
P40
P3350
P12193
Atom HG2 of residue 16
P6947
P4858
Atom OE2 of residue 16
P4050
P5488
Atom CG1 of residue 61
P7631
P2220
P2910
P3005
P3511
P2731
P5214
P11612
Atom O of residue 32
P7171
P3356
P7883
Atom HA3 of residue 35
P6028
Atom HZ3 of residue 33
P5741
P3237
Atom CG of residue 45
P2365
P1436
P4034
P3178
P4607
P4718
P2056
P1788
P9544
P10189
P8506
P7622
Atom CD of residue 40
Atom HB2 of residue 31
P6866
Atom H of residue 52
Atom HD3 of residue 37
P6831
Atom OD1 of residue 60
P3340
P2622
Atom H of residue 35
P2911
P3417
Multivariate Normal distribution 6
P2151
Atom HE2 of residue 4
Atom HA2 of residue 75
P2114
P7477
P2
P8090
P6158
P3416
P6148
P0
P2881
P6985
P5003
P5990
P12933
P7379
Atom C of residue 63
P1538
P4633
P8561
P7963
P10900
P3785
P5223
P4098
P4794
JeffreysRestraint_P1
P8289
P4138
P7261
P2842
P3947
P4366
P8397
P2232
Atom HG3 of residue 19
P6734
P4186
P1584
P7949
P5537
P148
P6121
P5095
Atom HG1 of residue 14
P4747
Atom H of residue 16
Atom N of residue 38
P2029
P5953
P1700
ListSingletonContainer405
Atom O of residue 29
P7790
P8518
Atom N of residue 17
P3317
P2887
P13507
P4468
P2326
P8189
P7238
P1996
P5470
P1505
Atom CG1 of residue 61
P8467
P6028
P6461
P4073
P3887
P6984
P5964
P7195
Atom CG of residue 72
P1436
P2092
P7819
P3379
P7077
P6948
P2871
Atom HB2 of residue 49
P5205
P2221
Atom O of residue 67
P6362
P3035
P3541
P2168
P2532
P7632
P8099
P5242
P5224
P4045
P1683
Atom C of residue 70
P5963
Atom CZ of residue 45
P7010
P1789
P3351
P7623
P8283
P1760
P6832
P1564
P5443
P7698
P4051
P1418
P76
Atom HB2 of residue 18
P5489
P1437
P2911
P3006
PRO
P3512
P8450
P8290
P7106
P2732
Atom C of residue 106
P11613
P7172
P3357
P5991
P3238
Atom CA of residue 12
P7380
P4035
P3179
P4608
P4719
P7884
Atom N of residue 36
P2618
P6029
P7697
Atom HA3 of residue 75
P1594
P3341
P6149
P2623
P2912
P3418
P2473
P4866
Atom OE1 of residue 40
Atom HD2 of residue 19
P2366
P1328
P2448
P1550
P8519
P4860
P3
P8091
P3417
P2882
P6122
P12194
P12934
P6159
P4634
P5357
P3786
Restraint 111
P2233
P5096
P401
P2355
P4795
P5742
P1
ARG
P1585
P4139
P4367
Atom O of residue 70
Atom CB of residue 7
P6867
P342
Atom H of residue 58
P4187
P5471
P0
P7964
P8468
P5538
P10190
Atom O of residue 106
P8508
P6462
P4
P1584
P8284
Atom HG21 of residue 3
P6985
P5965
P4748
P7478
P7950
Atom HB2 of residue 46
P7820
P6986
P7078
P5004
Atom CG of residue 52
Atom HB3 of residue 49
Atom HA of residue 16
P6363
P10901
P2888
P4469
Atom CB of residue 29
P7791
P2327
P2533
P8190
P1565
P5954
P1701
P4074
P3888
P7699
P1684
P2152
P7196
P2222
P7239
Atom CB of residue 67
P8451
P1506
P8562
P2843
P3380
P5215
P3948
Atom N of residue 32
Atom CB of residue 33
P4099
P8398
P4867
P73
P2169
P6949
P2872
P6735
Atom NE of residue 72
P1342
P9545
P5444
ListSingletonContainer366
P3036
P3542
P7012
P7633
P7107
P5358
P3318
P5225
P4046
Atom H of residue 45
P1535
Model 227
P2062
Atom H of residue 30
P3352
P7624
Atom CD of residue 31
P1419
P7698
Atom N of residue 38
P1997
P8100
P5244
P6029
P8509
P266
P4052
P5490
P1761
P1551
P5207
P2912
P3007
P3513
P1437
P2030
P8291
P2093
P1790
P2733
P3358
P3239
P6833
P1595
P4036
Atom CA of residue 38
P4609
P4720
PairRestraint 1
Atom CD of residue 33
P2356
P5992
P5743
P2449
P3342
P2624
P7263
P2913
P3419
P2619
P6868
P5964
P8520
P7381
P3418
P2883
P5539
P5216
P13508
P12195
P8399
ILE
Atom HE2 of residue 48
P7479
P4635
Atom HB3 of residue 46
P6123
ListSingletonContainer406
P3787
P11615
P6987
P7173
P5005
P4796
Atom HA of residue 58
P1343
P1808
P2
P4140
P10902
P4368
P1585
Atom O of residue 75
P6160
P4188
P1440
P7965
P5955
P10191
P7885
Atom CB of residue 70
P6030
P8285
P2153
Atom OG1 of residue 7
P2328
P6986
Atom OD1 of residue 52
P4749
P8092
P5472
P2844
P9546
ListSingletonContainer480
P7079
P4100
P2474
ILE
Restraint 128
P12936
P4859
P2063
P1791
P7821
P2889
P4470
Atom NE2 of residue 40
P5966
P1438
P7013
P4075
P3889
P7700
Atom HA of residue 45
P6920
P7197
P8452
P3381
P4868
P2367
P2873
PRO
P6736
P1552
P1536
P8101
P7262
P0
P8469
P0
P1702
P3949
P13509
P1685
P2234
P3037
P7699
P3543
P2450
Atom HA of residue 68
P2223
Model 188
P7951
P7108
P5359
P5445
P4047
P8191
P1998
P6463
P3353
P7792
P2534
Atom HB2 of residue 16
P2031
P2094
ListSingletonContainer207
P6030
P8510
Atom CG of residue 29
P4053
P5491
Atom HD3 of residue 19
P6950
P7382
P2913
P3008
P7240
P3514
P1441
P2734
P12196
Atom CE of residue 33
P3359
Atom HG2 of residue 49
P3240
P2170
P7634
Atom CG of residue 2
P4037
P4610
P4721
P1507
Atom CB of residue 106
P6364
P5226
P7174
P5744
P3343
Atom HB3 of residue 27
P2625
P2914
P3420
P3319
P7625
P2475
P5965
P6161
P3419
P3
P2884
P10192
P5217
P8400
P7480
Atom CZ of residue 72
P8093
P4636
P8293
P9547
P8470
P3788
P6988
Atom CA of residue 36
P5006
P4797
P2329
P5206
Atom OE2 of residue 24
Atom CG of residue 67
Atom HG22 of residue 30
Atom N of residue 73
P4141
P5540
P10903
P4369
P2620
P2368
P5967
P4189
PairRestraint 2
P5243
P6464
P7886
P6031
P2235
P1420
P5993
P1762
P6834
P8522
P6921
P4750
P4855
Atom HB3 of residue 16
P5956
P4101
P343
P6737
P1553
P2
P2890
P4471
P2154
P2357
Atom HB2 of residue 68
P7014
P6124
P4076
P3890
Atom CD of residue 29
Atom H of residue 40
P402
Atom CB of residue 17
P6869
P7198
P1348
P8192
P7966
P3382
P1703
P31
P4872
P6987
Atom HD3 of residue 48
P2874
Atom H of residue 49
Atom HG21 of residue 30
Atom HA of residue 24
P1567
P6031
P6365
P13510
P11616
P7080
P1586
P3038
Atom N of residue 20
P3544
P6951
P1312
P2224
Atom SD of residue 1
P5473
P1809
P7952
P4048
VAL
P8286
Atom HG3 of residue 49
Atom HB3 of residue 24
P12935
P7635
P8102
P7822
Atom CG of residue 106
P3950
P3354
P5227
P1686
P7793
Atom NH1 of residue 72
Atom HG2 of residue 27
P8454
Atom CA of residue 6
P8507
P7626
P4054
P5492
Atom HG2 of residue 40
P5966
P2171
P6835
P2914
P3009
P7241
Atom CD1 of residue 67
P3515
P1508
P2735
P3360
P7701
P2476
DihedralSingletonScore3
P3241
P7700
P1439
P7383
Model 346
P4038
P4611
Atom N of residue 47
P4722
P7109
P2845
P5360
P3320
P7175
P3344
P2626
P1568
P2915
P3421
P5541
P5446
P12197
P6870
P1592
P3420
P7265
P5245
P2885
P137
P7887
P6032
Atom CA of residue 8
P1763
Atom HG3 of residue 24
P2535
P6922
P5208
P1349
P8094
P4637
P1792
P8471
P3789
Atom CA of residue 33
P2621
P4798
Atom CG1 of residue 17
P1554
P1999
P4142
P9548
P10193
Restraint 167
P4370
P1421
P2358
P5745
Atom HE22 of residue 2
P4190
P2032
P6465
P5994
P2451
P5968
P4751
P4856
P0
P5218
P4873
P267
P6988
Atom HG3 of residue 40
Atom H of residue 64
P7481
P2095
P2891
P6989
P4472
P7081
P5007
P7015
P7953
P8292
P6125
P4077
P10904
P3891
P8401
P8287
P2369
P6738
P7199
P8193
P6162
P1443
P7967
P3383
Atom CE of residue 29
P7794
P2236
P2155
P2330
P1443
P2875
Atom HG11 of residue 70
P2064
P2846
P6366
Atom HD11 of residue 30
P3039
P6952
P3545
P12937
P8521
Atom HB2 of residue 24
P7242
P5474
P5957
Atom OD1 of residue 106
P4049
P4104
P7702
P1687
Atom C of residue 31
P1587
Atom HD3 of residue 33
P7636
P1350
P7110
P7823
P5361
P6032
P3951
P2144
P3355
Atom HB2 of residue 2
Atom HD2 of residue 37
P7627
P12198
P4055
P5493
P7701
P2172
Atom NH2 of residue 72
P2915
P3010
P3516
P1810
P2736
P3361
Atom HA of residue 40
P3242
P5209
P2225
P4039
Atom CD2 of residue 67
P4612
P1704
P1313
P5967
P1440
P3345
P2000
P8103
P3
P2627
GLY
P2916
P2
P3422
P5246
P5447
P10194
P13511
Atom HD12 of residue 30
Atom C of residue 8
P6871
P5746
P3421
P2096
P7266
P2886
P5542
P3321
P5995
Atom CG2 of residue 17
P2536
Atom HB3 of residue 68
P6923
Atom CZ of residue 42
P4638
P8453
P4723
P1569
P6126
P3790
P4799
Atom N of residue 25
Atom HA of residue 64
P7482
P2033
P4143
ScoreState 6
P5228
P6990
P7176
P4371
P7888
P6033
P5008
P1764
P7384
P7016
Atom H of residue 16
Atom HG2 of residue 16
P4191
Atom CG of residue 38
P2065
P5219
P8371
P10905
P11617
P8402
P6836
P6739
P4752
Restraint 23
P6163
P1509
P32
P1507
P4874
P2359
P6989
P1444
P8095
Atom HG12 of residue 70
P8294
P7968
P2892
Atom CD of residue 42
P4473
P7082
P2477
P2239
P2331
SER
P1328
P12938
P5475
P1793
P4078
P3892
Atom CB of residue 31
P2156
Atom HE21 of residue 49
Atom HD2 of residue 68
Atom HE3 of residue 33
P7200
P1811
P7824
P9549
P8472
P3384
P6033
P6466
P1422
P2876
P7954
Atom CA of residue 2
P91
P3040
P3546
P2452
P5969
P1442
Atom HA of residue 38
P5958
P11618
P4050
P4105
P7703
P7795
Atom HB2 of residue 40
P8525
P7111
P2847
P1706
P0
P3356
P5229
P2622
P5968
Atom HG3 of residue 16
P7243
P8104
P5448
P13512
P4056
P8288
Atom O of residue 8
P5494
P7702
Atom HB2 of residue 4
P2916
Atom HA of residue 27
P3011
P3517
P1511
P2737
P6368
P12199
P3362
Atom N of residue 50
P344
P3243
P5210
P4040
Atom CG of residue 24
P1442
P4613
P2173
Atom CD of residue 72
P7637
P3346
P2001
Atom CB of residue 1
P2628
P2917
P3423
P5247
P3952
P7177
P7889
P1588
P6034
P5747
Atom C of residue 74
P2454
Atom HA of residue 16
P3422
P8455
P2337
P2887
P10195
P8372
Atom CB of residue 84
P7628
P4941
P2370
P6837
P4639
P4724
P3791
P4800
P2332
P7483
P8096
P0
P8295
P4144
P2097
P5362
P6991
P4372
P1688
P5009
P5996
P1563
P7385
P4192
P1
P10906
P1508
P92
P6872
P2537
P4753
P2226
Atom H of residue 67
P8473
P3322
P6467
P8289
P1765
P6740
P6924
P6164
P1812
P7955
P5543
Atom CB of residue 7
P2893
Atom HD13 of residue 30
P4474
Atom HE21 of residue 40
Atom H of residue 24
P12939
Atom HE1 of residue 68
P1570
P5959
P4079
P3893
P7796
P1423
P2360
Atom CA of residue 20
P8526
P7201
Atom CA of residue 47
P7267
P7969
P9550
P3385
P2623
P1320
P2877
Atom O of residue 74
P1327
P7244
P5476
P6034
P5220
P138
P8403
P6990
P3041
P3547
P5970
Atom HB3 of residue 4
Atom C of residue 43
P2034
P3
P11619
P4051
P7083
Model 426
P4106
P2478
P0
Atom HB2 of residue 38
Restraint 87
P5363
P1
P3357
P5230
P2371
P1443
P7017
P7638
P8105
P2
P1794
P7825
P7178
P4057
P1589
Atom CG of residue 40
P2333
P5495
P5969
P1441
Atom HB of residue 5
P2917
P3012
Atom N of residue 17
P3518
P8456
Atom C of residue 23
P2848
P2738
P1707
P6127
P7629
P3363
P268
P3244
P2174
P1555
P5211
Atom HB2 of residue 27
P4041
P5449
P7704
Atom CB of residue 8
Atom HB2 of residue 64
P6838
P2453
P3347
P2629
P1512
P2918
P7112
P3424
P5248
Atom CD2 of residue 84
P2417
P5997
P7386
Atom HG13 of residue 70
P3423
P2888
P7890
P4942
P6035
P6873
P7703
GaussianProcessInterpolationRestraint 46
P2002
P4640
P4614
P4725
P3792
P13513
P1689
P2157
P4801
P6925
P8097
P8296
P2066
P4145
P2098
P6367
P4373
P12200
Atom N of residue 68
Atom HE22 of residue 40
P4193
P5221
Atom CG of residue 31
P5748
P1766
Atom HZ1 of residue 33
P4754
P9551
PairScore 13
P8290
Atom HG2 of residue 64
P5477
Atom HA of residue 67
P1571
P0
P5544
P10196
P33
P3953
P4475
P6991
P12940
P5971
P7484
P7018
P2227
P1439
P7956
P2035
Atom C of residue 47
P4080
P3894
P11620
P6992
P7084
P1415
P5010
Atom CG of residue 8
Atom CD of residue 40
P7202
P6165
Atom CB of residue 23
P7268
P7970
P3386
P8373
P10907
P7797
P2362
P2878
Atom O of residue 38
P1795
P5960
P8406
P3042
P3548
Atom CB of residue 74
P7245
P8474
P3323
P13514
P4052
P4107
P2624
P404
P6741
P1556
P5212
P5364
P5450
P3358
P7705
P1442
P2538
P1444
P7639
P7113
P2849
Covariance1DFunction 22
P5249
P6468
P4058
P5496
Atom N of residue 69
P2918
Atom HG21 of residue 70
P3013
P3519
P8457
P2067
P2739
P6128
P7630
P3364
P1509
P3245
P7704
P1384
P4042
P7826
Atom CA of residue 4
P6035
Atom CD of residue 31
P1590
P2158
P3348
P2630
P2919
P3425
P1708
P5231
HIS
P345
Atom C of residue 20
P2372
P8256
P1665
P3424
P2003
P8106
P2889
P8374
P2479
P1424
P5998
LEU
P5749
P8523
Atom HZ2 of residue 33
Atom C of residue 16
P4641
P1813
P4615
P4726
P1513
ListSingletonContainer354
P6369
P3793
Atom CG1 of residue 61
P7179
P4802
P5970
Atom HG3 of residue 64
P6926
P7387
Atom CG2 of residue 23
P8299
P4146
P8475
P5545
P4374
P12201
P6839
P12941
P1332
P7485
P1
P4194
Atom O of residue 47
P2068
P2099
P1796
P5222
P6993
P2237
P5011
P1334
P75
P1313
P4755
P6166
P4
P7269
P6469
P10908
P3954
Atom NZ of residue 29
P8431
GaussianProcessInterpolation78
P2228
Atom HG21 of residue 7
P5961
P10197
P4476
P7891
P1416
P6036
P6992
P2175
P2539
P1446
P7019
Atom HD13 of residue 56
Atom CG of residue 11
P8098
P5478
P9552
P4081
P3895
P7085
P1690
P411
P7203
P3387
P7180
P1510
Atom C of residue 9
Atom OE1 of residue 40
P6874
Atom O of residue 20
P2879
P5972
P2036
P8300
P3324
P2373
P11621
P2053
P4939
P1425
P3043
P3549
P1393
Atom CB of residue 38
Atom OD1 of residue 32
Atom N of residue 85
P13515
P4053
P1767
P6742
P1557
P7827
P3359
Atom HA of residue 29
P7706
P8291
Model 373
Atom HB2 of residue 67
P7957
P7114
P7971
P5451
ListSingletonContainer497
P5232
P2625
P4059
P5497
P1385
P8257
P2919
P3014
P3520
P8107
P8458
P2740
P5365
P3365
P2480
P7798
P269
Atom CA of residue 50
P8432
P3246
P7705
Atom O of residue 16
P4043
Atom HH11 of residue 72
Model 274
P1709
P6036
P6370
Atom NH2 of residue 42
P2363
P2455
P7388
P3349
P1666
P7246
P2631
P2920
P3426
Atom HG23 of residue 30
P12202
P1394
Atom CG of residue 74
P7640
Atom HG22 of residue 7
P3425
P7271
P2890
P8375
P7181
P1591
P6875
P5750
P2540
P8524
P4642
P4616
P4727
P7631
P3794
P8407
P4803
P5971
Atom CG of residue 37
P8301
P4147
Atom H of residue 32
P8476
P10198
SER
P4375
Atom OE1 of residue 31
P6840
LEU
P5213
P7486
Atom HD21 of residue 56
P8099
P4195
P9553
P3955
P6994
P2159
P5012
P4756
P1574
P2850
P5250
P5546
P6470
P6129
P10909
P87
P4940
Atom HA of residue 42
P2176
P5973
P1542
P1814
P11622
P1375
P4477
P1691
P7892
P6037
P2238
P5999
Atom H of residue 40
P2373
P6927
P3
Atom O of residue 6
P5962
P4082
P3896
P6743
P7204
ILE
P3388
P2374
P5224
Atom CA of residue 68
P2054
P8292
Atom N of residue 65
P2880
P2004
Atom HB3 of residue 67
P7182
P2481
P3044
Atom CB of residue 20
P3550
P1395
P8459
P7972
P5366
Atom HB2 of residue 29
P4054
P8408
P1511
P6993
Atom CD of residue 74
P1558
P7021
P2037
P7828
P3325
P6037
P6130
P3360
P7086
P1417
P1768
P12942
P5214
P6167
P5479
P7958
P2069
P2627
P4060
Atom CD1 of residue 8
Atom C of residue 50
P5498
P7641
P2920
P3015
P3521
P8108
P1797
P2741
P3366
P7799
P2364
P8433
P3247
P4044
Atom N of residue 71
P6371
P7632
Atom HA of residue 40
P5972
P3350
P2229
Atom HB of residue 3
Atom CA of residue 52
Atom O of residue 23
P2632
P2921
P3427
P5251
P7707
Atom O of residue 31
P1592
P6841
P7389
P3426
P2102
P7115
P2891
P13516
P6038
Atom HD13 of residue 3
P6876
P7247
P4643
P4728
P1575
P5547
P5452
P17
P3795
P12203
Atom HB2 of residue 42
P4804
P7706
P1386
Atom HE2 of residue 33
THR
Atom HD11 of residue 23
P4148
P4376
P7893
P2160
P1396
P2374
P6928
P8100
P4196
P2851
P1313
P6131
Atom CA of residue 85
P5233
P1837
P1441
P4757
P8258
Atom O of residue 61
P1667
P9554
P10199
P5751
SER
P7270
P7973
P3956
P4478
P1692
P6000
P12943
P5974
Atom CA of residue 13
P4353
P8376
P4083
P3897
P11623
P66
Atom C of residue 68
P6994
P1559
P7487
P7205
P2005
P7829
P3389
P6995
P7087
P5013
P346
P2
P2881
P2456
P6168
P7959
P8477
P6471
P10910
P405
P3045
P3551
P6744
P2038
P8304
P18
P1705
P4055
P8409
P4875
P7800
P1418
P2177
Atom HD1 of residue 68
Atom N of residue 16
LEU
P3361
P1426
P5215
P5480
P1815
P1510
P5963
P5234
P7708
P1512
P4061
P5499
Atom O of residue 10
P8259
P7642
Atom O of residue 42
P2230
P2921
P3016
P3522
P2070
P7116
P2742
P5223
P13517
P3367
P8293
Atom CD2 of residue 8
P3248
P4045
Atom C of residue 52
P7248
Atom OG1 of residue 12
P6372
P7633
P12204
Atom HD11 of residue 73
P7707
P3351
P2633
P2103
P2922
P3428
P5252
P6038
P139
P2055
P270
Atom HB2 of residue 40
P7020
Atom HD22 of residue 56
P3427
P0
P2892
P1838
Atom HE22 of residue 49
P5973
P1769
P5
P2541
P4644
P8109
P4729
Atom CB of residue 32
P1798
P5453
P10200
P3326
P2375
P3796
P2628
P4805
P5752
P1397
P2548
P8460
P4149
P5548
Atom CG of residue 29
P6996
P4377
P6001
P1387
P2457
Restraint 143
P6929
P1
P1668
P4197
P5367
P8377
P8434
P4758
P7488
Atom HA3 of residue 75
P8305
P152
P7894
P5014
P6877
P2375
P6842
P7390
P8478
P6472
P10911
P7183
P4479
P8294
Atom HH21 of residue 72
P6745
P12944
P4354
P1572
P4084
P3898
Model 300
P4876
Atom SD of residue 1
Atom HD12 of residue 73
P6995
P7206
Atom NZ of residue 33
P8101
P1
P3390
P7088
P2482
P1693
P1593
Atom NH1 of residue 42
P1398
P2882
P5481
P1816
P7272
P7830
P6921
P3046
Atom H of residue 10
P3552
P2178
Atom NH1 of residue 74
Atom CA of residue 19
P6169
P9555
Atom HD2 of residue 4
Atom CG of residue 84
P4056
P1427
P1324
P1329
P7960
P3
P2852
P6373
P3362
P1513
P2361
P5975
GLU
P5964
P5368
P2376
P5225
P3957
P11624
P5235
P2056
P7709
P8404
P7801
P4062
P6039
P2161
P5500
P8260
Atom HD13 of residue 23
P2922
P3017
P3523
P8461
P7117
P2743
P3368
P3249
P5974
P1770
P2542
Atom HA of residue 33
P4046
P7249
P8110
P5454
P7708
P7022
P3352
P2549
P2006
P2634
P2923
P3429
P12205
P1419
P6843
P1571
P3428
P2039
P7974
P2893
P154
P6132
P1839
P8435
P7643
Atom N of residue 76
P4645
GeneralizedGuinierPorodFunction 57
P8306
P4730
P7273
P6039
P3797
Atom O of residue 68
P7895
P4806
P6878
P5753
P1399
P5216
P4150
P2100
Atom N of residue 14
Atom CG of residue 32
P10201
P7634
P13518
P6997
P7184
P4378
Atom HB of residue 14
Atom HG22 of residue 70
P4198
Model 269
P5254
P2483
Atom C of residue 19
P4759
P7489
P8102
P2629
P5015
P6002
Atom H of residue 21
P7391
P6922
P10912
P4480
P1694
P8295
Atom NH2 of residue 74
P4355
P1573
P3327
P4085
P3899
Atom HG3 of residue 16
P1594
P6746
P6930
P7207
Atom HB3 of residue 25
P7961
P1799
P5549
P3391
Atom HD13 of residue 73
Atom NE2 of residue 40
Atom HB3 of residue 64
P2883
P2458
Atom HD13 of residue 15
P5965
P5226
P8378
Atom CD1 of residue 84
P7802
P2162
P6996
P3047
P3553
P5976
Model 146
P0
P2853
P9556
P4057
Atom CB of residue 68
P347
P1388
P12946
Atom HD23 of residue 56
Atom HG12 of residue 23
P2231
P1669
P7250
P5482
Atom HD2 of residue 27
P8479
P3363
P13519
VAL
P1400
P7023
P6170
P2007
P5369
P11625
P7089
P2057
P8405
P4063
P6040
Atom CG1 of residue 26
P5501
Atom HB2 of residue 33
P2923
P8234
P3018
Atom HG3 of residue 51
P3524
P1817
P8462
P7975
P2744
P6473
P6133
ListSingletonContainer407
P3369
P3250
P2376
P1560
P7644
P4047
P8111
P7831
P6040
P7725
P1420
P406
P5975
P5217
P3353
P2040
P2635
P2924
P3430
P7635
Atom N of residue 1
P1771
ListPairContainer 1
P3429
P8368
P5455
P2377
P5236
P4646
P4731
P7274
P7118
P8379
P3958
P3798
P2484
P4877
P6003
P4807
P7392
P4151
P1840
P7185
P4379
P7896
P271
P7709
P2179
P8261
P8235
P4199
THR
P8480
P6374
P1514
Atom HA2 of residue 10
Atom HG1 of residue 14
P6931
P4760
P2550
P8103
Atom HG23 of residue 70
Atom HD21 of residue 25
P2101
P67
P12206
Atom H of residue 26
P1389
P2543
P5977
P1670
Atom HD3 of residue 27
P1683
P3328
P6923
P6474
P4481
P7710
Atom N of residue 17
Atom HB2 of residue 21
P8436
P6997
P5754
P4356
P9557
P4086
P3900
Atom O of residue 19
P7208
P2232
P5483
P5550
P3392
P10202
P2884
P1562
P7490
P6171
P7962
P2
Atom CB of residue 56
P1800
P5253
P5227
P11626
P6998
P7090
P5016
P3048
P6879
P7730
P3554
Atom HD21 of residue 15
P2854
P10913
P4058
P4878
P7803
P1401
P2377
P6844
P5966
P6134
P3364
P13520
Atom CG of residue 68
P1695
P2163
P7024
P7251
P4064
P1595
P8296
P0
P5502
P6747
P2924
P3019
P3525
P8369
P7976
P2745
P5456
P5237
P3370
P3251
P2180
P2459
P7645
P4048
GLY
P2008
P7119
P7832
P6041
P6375
P2058
Atom HD21 of residue 73
bonded
P8437
Atom HA3 of residue 10
P2544
P1561
P3354
Atom HA of residue 21
P2636
P2925
P3431
P7636
P7186
P12945
P8262
Atom N of residue 57
P8239
P3430
P5370
P2626
Atom HG3 of residue 37
P1402
Atom NE of residue 74
P4647
P8464
P4732
P8380
P3799
P1841
Atom CA of residue 73
P4808
P6880
P1772
P8112
JeffreysRestraint_P0
P4152
P2378
P3959
P0
P4380
P7711
P6004
P5755
Atom CG of residue 33
P4200
P1818
Atom HA of residue 59
P8481
P6041
P5976
P6932
P5218
P4761
P7393
P1684
P1801
P5551
Atom CD1 of residue 61
P10914
P140
P12207
P1515
P1597
P7710
P7491
Atom HB2 of residue 21
P7275
Atom CG of residue 56
P6924
P6475
P6999
P4482
P1696
P5017
Atom HA of residue 26
P1418
P6845
Atom HE2 of residue 27
P2041
P4357
P4087
P3901
Atom HA of residue 18
P1390
P7209
P2551
P2233
Atom CA of residue 67
P5967
P5255
P3393
P10203
P3329
P6135
P7897
P1421
P6998
P2885
P8104
Atom CA of residue 76
P5484
P9558
P5228
P7091
P2364
P8297
Atom HA of residue 12
P3049
P3555
P1671
P7977
P4059
P4879
P6042
P4
P1403
P2460
P7833
P6042
P3365
P11627
Atom HD22 of residue 73
Atom H of residue 69
P7025
Atom HB2 of residue 59
P2855
P6376
P2485
P4065
P5503
P6748
P1564
Atom C of residue 27
SER
P2925
P3020
P3526
P8370
P2746
P5371
P3371
P2059
P2164
P3252
P4049
P7963
P7120
P5457
Atom HG21 of residue 30
P141
P8438
P2378
P12947
P5219
P3355
P8113
P2637
Model 382
P2926
P3432
P7804
Atom N of residue 11
P2181
Atom CZ of residue 74
P6172
P3431
P2009
P1773
P7394
P7252
P4648
P4733
P2379
P3800
P13521
P7187
P12208
Atom CA of residue 6
P4809
P6881
P5978
P7646
P1819
Atom HD23 of residue 50
P4153
P7276
P4381
P7712
P1422
P6043
P8298
GaussianProcessInterpolation56
Atom OD1 of residue 21
P5756
P348
P6846
P4201
Atom H of residue 25
P2042
Atom H of residue 34
P7637
P1404
P4762
Atom HB3 of residue 21
P5256
P10204
Atom HG23 of residue 30
P10915
P3960
P5238
P7711
P1419
P7492
P8263
P8105
P9559
P5229
P6925
P7000
P4483
P5018
Atom OD2 of residue 21
P5977
P2234
P8463
P4358
Atom O of residue 16
Atom C of residue 67
P5552
P4088
P3902
P1391
Atom CB of residue 27
P7210
P2552
Atom C of residue 76
P3394
P8381
P13522
P11628
P1697
P7898
P2365
P273
P6005
P2886
Atom HA of residue 69
P6933
P7026
P8238
GLU
P8366
P5968
P1598
P3050
P3556
P6749
P1565
P1672
P8482
P6476
ListSingletonContainer498
P4060
P1842
P1516
GaussianProcessInterpolation15
Model 323
P2545
P2856
P7978
P3366
P12948
P6043
P4066
P2165
Atom HG21 of residue 30
P6999
P5504
P2926
P6173
P3021
P3527
P1820
Atom HB3 of residue 59
P7834
P2747
Atom HD11 of residue 30
P5239
P7092
P3372
P3253
P8264
P4050
P5485
P7964
P1685
P13523
P4880
P2461
P5979
P5220
Atom CB of residue 12
P7647
P3356
P2010
P8114
P2638
P2927
P3433
P7805
P3077
P3432
P6377
P7638
P7253
P4649
P4734
P3801
P7188
P2486
P4810
LYS
P2182
Atom HB2 of residue 51
P7395
P8236
P4154
Atom CD1 of residue 56
P7121
P4382
P8301
Covariance1DFunction 25
P260
P5978
P1405
P6934
P4202
P2043
Atom O of residue 67
P1802
P5458
P12209
P6847
ScoreState 46
P4763
Atom HG23 of residue 14
Atom HE3 of residue 27
P8367
Atom HB2 of residue 34
P5372
P5257
P2380
P8382
P6136
P7899
P1423
P8439
P2379
P8106
P0
P8465
P4484
P2060
P1628
P6882
P4359
P9560
P8483
P10205
P6477
P4089
P3961
P3903
Atom HA of residue 21
P5757
P7211
Atom CA of residue 51
Atom CB of residue 16
P3395
ListSingletonContainer209
P13524
P6006
P7712
P1392
P2887
P1673
P1686
Atom CD2 of residue 56
P10916
P11629
P1843
P7713
P1517
P265
P7000
P3051
P3557
P1774
P1406
P7493
P2235
P7277
P7835
P6926
P7001
P4061
P7093
ARG
P5019
P1420
P7965
P6137
P3367
P4881
P1599
Atom C of residue 19
P6750
P12949
P5980
P8237
P0
P1803
Atom C of residue 30
P7806
P4067
P465
P5505
P2927
P3022
P3528
P7979
P2748
P5373
P5553
P5240
P3373
P0
P3254
P0
P8265
PairsRestraint 1
P2553
P4051
P6174
Atom O of residue 76
P7254
P5486
P5969
Atom HD12 of residue 30
P5230
P7189
Atom CA of residue 11
Atom HG2 of residue 51
P7648
P3357
Atom HZ1 of residue 27
P2639
P2928
P7122
P3434
P6378
P6044
P8302
P3078
P3433
Atom HB of residue 55
P7639
P12210
P2167
P2183
P7027
P4650
P4735
P3330
P6044
P3802
P2362
P4811
Atom O of residue 19
P8440
P2380
P8466
P4155
P4383
P6883
P5979
P1407
P6935
P5222
Atom N of residue 15
P4203
P8115
Atom HD1 of residue 59
P2857
P5459
P10206
P5758
P1566
Atom N of residue 27
P4764
P5260
P2061
P1629
P6007
P349
P2462
Atom HB2 of residue 69
P2044
P8297
Atom CB of residue 67
P5554
P2381
P10917
P68
P4485
P7714
Model 419
P7494
P4360
P7278
P6927
P4090
P3904
P7002
Atom CD2 of residue 62
P2487
P7900
P1424
Atom CA of residue 74
P5020
P7713
P7396
P7212
P2011
P3396
P6138
P13526
P7094
Atom CG of residue 16
P1775
P2888
P6751
P5231
P3962
P7001
P3052
P3558
P1421
P6848
P8107
Atom H of residue 56
P7980
P3331
P8383
P4062
P1600
Atom HG21 of residue 12
Atom H of residue 76
P5487
P1687
P7836
P3368
P2168
P12950
P7028
P2236
P9561
P8484
ModelScoringFunction15
P4068
P6045
P5506
P1408
P1567
P2928
P3023
P3529
P1821
Atom HG1 of residue 55
P7966
Atom HB3 of residue 34
P2749
P5374
P153
Atom O of residue 30
P3374
P3255
P8300
P2554
P1
P4052
P0
Atom HD21 of residue 50
P1326
P5970
P5460
P6478
P11630
P7807
P1393
P3358
P2640
P2929
P7123
P3435
P5261
P3079
P5980
Atom CD1 of residue 4
Atom HB3 of residue 69
Atom HB3 of residue 1
P6175
P7255
P3434
P8116
P1844
P7190
Atom O of residue 20
P272
Atom CG2 of residue 61
P5981
P1674
P4651
P4736
P6045
P3803
P5241
P12211
Atom NE1 of residue 62
P2363
P4812
P8467
P8298
P4156
Atom CG of residue 67
P8384
P4384
P1518
P4882
Atom CD of residue 16
P8318
P7649
P4204
Atom HD21 of residue 15
P7279
P2488
P7901
P5759
P4765
LEU
P2045
P2858
P8485
P10207
P6379
P7640
P2546
P2381
P1822
P10918
Atom HA of residue 56
P4486
P7715
P2463
P7495
P8108
P2012
P4361
Atom HD12 of residue 44
P6928
P6479
P4091
P3905
P7003
P5021
P6008
P8441
Atom HG12 of residue 13
P7714
P7397
P7213
Atom HG2 of residue 34
P1804
P3397
P1425
P0
P2889
P12951
P5221
Atom HZ2 of residue 27
P5232
P6139
P3053
P3559
P2184
GeneralizedGuinierPorodFunction 35
P6849
P6752
P6936
P7967
P4063
P6046
P6884
Model 344
Atom HG2 of residue 24
Atom CB of residue 17
P0
P5971
P2382
P3369
P4883
P7808
Atom C of residue 11
P8319
P1409
Atom HG3 of residue 51
P7029
P9562
P7095
P2062
P4069
P5507
P1568
P2929
P6176
P3024
P5488
P3530
P1688
Atom HD13 of residue 44
P2750
P5555
Atom H of residue 61
P1845
P7191
P3375
P1519
P2169
P261
P7002
P3256
P1776
P1394
P5982
P2555
P4053
P6046
P11631
Atom HB3 of residue 56
P5242
Atom H of residue 33
P1630
P3359
P2641
P2930
P3436
P6380
P1331
P8442
P7650
P1675
P3435
P8117
Atom HA of residue 56
P7837
P13525
P5981
P1422
P2464
Atom HG of residue 69
P4652
P1823
P4737
P7981
P5375
P3963
P7641
P3804
Atom CB of residue 20
P4813
P1410
Atom HD3 of residue 33
P2237
P8468
P4157
P74
P8385
P4385
P3080
P6885
P8299
P4205
P7124
P1805
P3332
Atom CB of residue 30
Atom C of residue 74
P6009
Atom O of residue 11
P4766
P7398
Atom HD22 of residue 15
P8486
P7902
P7
Atom N of residue 25
Atom HA2 of residue 76
Atom HZ3 of residue 27
P4487
P1596
P2568
P5760
P6850
P6937
P8109
P4362
P7280
P6480
P4092
P3906
P12212
P6047
P466
P1631
P5223
P7214
P2171
P2
P3398
P2383
P2489
P2185
P2890
Atom N of residue 52
P8557
Atom HG3 of residue 34
P9563
Atom C of residue 5
P69
P2063
P3054
P3560
Atom CG1 of residue 17
P5489
Atom HG23 of residue 55
P2859
P5556
P5461
P10208
P10919
P4064
P7716
P7003
P5983
P7496
P7968
Atom HE1 of residue 59
P6929
P3370
P11632
P7004
P7096
P4884
P5022
P8320
P7715
P1411
Atom CB of residue 22
P1689
Atom CE2 of residue 62
P7809
P4070
P5508
P1777
P2382
P2115
P2930
P3025
P3531
P2046
Atom HB2 of residue 56
P5972
P2751
P5234
P3376
P1520
P2166
Atom HB2 of residue 33
P350
P3257
P1423
P4054
P7256
P2013
P7982
Atom CE1 of residue 45
P5376
P6140
P13527
P7192
ASN
P6753
P3360
P8469
P2642
Atom CD1 of residue 67
P2931
P3437
P6381
Atom HH21 of residue 72
P1846
Atom HD23 of residue 73
P8443
P2
P7031
P7651
Atom HA3 of residue 76
P3436
P7125
P7842
P5258
P3333
P6047
P3964
ListSingletonContainer423
Atom CG1 of residue 30
P1426
P12952
P4653
P4738
P7642
P3805
P4814
Atom HB3 of residue 60
P4158
P4386
Atom CB of residue 74
Atom OD1 of residue 25
P3081
P6886
P5761
Atom HD11 of residue 69
P4206
P7281
Atom SD of residue 1
P5224
P4767
P2238
P2172
P6177
P8118
Atom N of residue 56
Atom CE3 of residue 62
P6010
Atom C of residue 25
Atom CB of residue 11
P1412
P8558
P5243
P4488
P2569
P1346
P5982
P6938
P8267
P7399
P4363
P4093
P10920
P3907
P7717
P1395
P2383
P7497
P7215
P2556
P1676
Atom HE2 of residue 59
P7838
P5557
P3399
P6930
P7005
P5023
P7716
P2891
P6851
Atom HA of residue 18
Atom HE3 of residue 33
P2860
P8386
P12213
Atom H of residue 25
P3055
P3561
P1836
Atom CD2 of residue 67
P5973
P5462
P10209
P2384
P156
P4065
P7903
Atom HG22 of residue 13
Atom N of residue 74
P7004
P8110
P5490
P9564
P8487
P6481
P3371
P13528
P7097
P2064
P1521
P1427
P1632
P12953
Atom N of residue 28
P2047
P5244
P4071
P5509
Atom HD21 of residue 60
P1569
Atom OG1 of residue 22
P2931
P3026
P2014
P3532
Atom HA of residue 34
P1806
P2752
P6048
P11633
P3377
P3258
P4055
P6141
P2490
P6754
P3361
P7257
P2643
P2932
P7983
P3438
P3965
Atom CD1 of residue 56
P4885
P1347
P2186
P1424
P5984
P3437
P7969
P7126
Atom HG22 of residue 44
P5259
P2465
P2239
P4654
P8119
P4739
P171
P3806
P1847
P7810
P4815
P8321
P1396
Atom HD13 of residue 69
P1690
P4159
P7839
P5233
P4387
P3082
P8268
P7400
P4207
P6383
P7193
Atom CG of residue 74
P6048
Atom O of residue 25
P1413
P5225
P4768
P7652
P1677
P2341
Atom HH of residue 59
Atom HB3 of residue 20
P5762
P6852
P7498
P7030
P7258
LEU
P5377
P8387
P7643
P4489
P12214
Atom CZ2 of residue 62
P2570
P8444
P5983
P1778
P4364
P2894
P10210
P4094
P10921
P3908
P7718
P6887
P7216
P2557
P8111
Atom HG3 of residue 33
P8470
P1807
P9565
P8488
P3400
P3334
P6931
P6482
P7006
Atom N of residue 5
LYS
P136
Atom HG13 of residue 23
P5024
Atom HB3 of residue 33
P7717
P2892
Atom HB2 of residue 24
P3056
P3562
Atom HB3 of residue 51
P1570
P11634
P4066
P7904
Atom HA of residue 25
P6049
P6011
P6939
P6178
Atom H of residue 67
P7282
P5974
P6142
P3372
P13529
Atom HG23 of residue 13
Atom HA of residue 61
P1633
P6755
P12954
P2173
P5558
P2385
P39
P5245
P4886
P4072
P5510
P2384
P5985
Atom HB of residue 23
P2932
P3027
P3533
ALA
P2753
P3378
P2491
Atom HG of residue 20
P3259
Atom HD22 of residue 60
P1414
P2466
P4056
P2342
P8559
P5378
P131
P6049
ListSingletonContainer499
Atom CD1 of residue 63
Atom C of residue 27
Atom HG22 of residue 23
P7005
P8322
P2187
P3362
P2644
P2933
P3439
P7840
P7098
P2065
P467
P80
P351
Atom CG of residue 11
P8269
P3438
P5491
P7970
P2861
P1848
Atom HZ of residue 45
P1779
P7653
Atom N of residue 30
P4655
P8120
P4740
Atom CA of residue 10
P7984
P5463
Atom CB of residue 28
P5235
P3807
P7811
P4
P4816
P8471
P4160
P7644
P4388
P3083
GaussianProcessInterpolationRestraint 24
P8445
P5984
P6179
P4208
Atom HG21 of residue 55
P2048
P1691
P3966
P7194
P6888
P1397
P1425
P5226
P4769
P7401
P7032
P2015
Atom OG1 of residue 12
P7127
P2895
P3335
Atom HG23 of residue 23
Atom HG2 of residue 33
P4490
P12215
P2571
P2385
Atom HE2 of residue 4
P6853
P1678
P4365
ListSingletonContainer340
P4095
P3909
P7905
P6050
P1415
P6940
P7217
P2558
P8112
P7283
P5464
P3401
VAL
P2492
Atom HB of residue 61
P2893
Atom H of residue 58
Atom HD2 of residue 33
P2174
P8560
P9566
P10211
P6382
Atom N of residue 46
Atom HG12 of residue 13
Atom CD2 of residue 63
P1428
P3057
P5763
P3563
P7499
P2339
P4067
P1634
P6012
Atom HG2 of residue 24
P2
Atom HD2 of residue 59
P2386
P8388
P3373
P13530
P11635
P7719
P7006
P1607
P7259
Atom C of residue 10
P1808
P8209
P5559
P6932
P7007
P7099
P2066
P4073
P5025
P5511
P7718
P2467
Atom HD21 of residue 69
P2240
P2933
P3028
P3534
P7971
Atom HA of residue 67
P2862
P2754
P8492
P6143
P10922
P3379
P3260
P6756
P5986
P4057
P7985
P5379
P5236
P7812
Atom N of residue 21
Atom CD of residue 11
P3363
P6180
P2645
P2934
P3440
P6483
Atom N of residue 61
P1400
P12956
P3439
P5492
P2340
P2054
P5975
P7841
ListSingletonContainer339
P5465
P7195
P1416
P5227
P7033
P7654
P4656
P4741
P7128
P3808
P4817
P6
CYS
P8472
Atom HG22 of residue 55
P4161
Atom H of residue 28
P7645
P5246
P4389
P12216
Atom CB of residue 25
P3084
P1780
P1426
P1572
P8270
P4209
P3
Model 75
P6050
P8389
P4887
P8323
P4770
P2016
von Mises sufficient 10
P7284
P2896
P1850
P5985
Atom HA of residue 58
Atom CA of residue 28
P8121
P8493
P10212
P3967
P4491
P1429
P2572
P1310
P5764
ILE
P2241
Restraint 48
P7260
P4366
P8210
P3336
P4096
P3910
P6013
P2468
P6941
P7218
P2559
P1809
P3402
P6484
P6384
P10923
P13531
P7720
P1522
P6051
P8446
P2188
P2894
P7500
P1679
P8561
Atom H of residue 40
P5560
P155
P6933
P7008
P7906
P5026
P3058
P7719
P3564
Atom HD22 of residue 69
P7402
Atom HB2 of residue 67
P132
P6144
P134
P4068
Atom HG13 of residue 13
Atom NE1 of residue 63
P6757
P1608
Atom HD1 of residue 4
P2175
P1692
P3374
P6548
P7007
P6889
P1
P0
P8113
P172
P7100
P4888
P4074
P5512
P8324
P1417
P2934
P3029
P5493
P3535
P2863
P2755
P3380
P3261
P4058
P8209
P5976
P9567
P5237
P3364
P2646
Atom HG23 of residue 26
Atom HB2 of residue 40
P2935
P3441
P5247
P1573
P8271
P7261
P3440
P8122
P135
P11636
Atom HB of residue 5
P7813
P137
P8447
Atom CE of residue 11
P2386
Atom HD11 of residue 15
P7034
P4657
P7972
P4742
P7129
P3809
P1851
Atom HG22 of residue 26
GLY
P4818
P5986
P2
P4162
P5380
P174
P7196
P4390
P1523
P3085
P1635
P2189
P1418
P5987
P6181
P4210
P6051
P8390
P12217
ALA
P6890
P0
P1332
P4771
Atom C of residue 28
Atom N of residue 61
P2897
P54
P6385
P2067
P81
P12955
P7655
P2343
LYS
P1693
P7986
P8494
P2387
P6549
P4492
P7907
P2573
P5765
P0
P8474
P4367
P8211
P10213
P6934
P7646
P3911
Atom CA of residue 19
Atom CA of residue 61
P1783
P7219
P2560
P1680
P7285
P3403
P8195
P6485
P10924
P3968
P7721
P2493
P468
Atom HA of residue 33
P1310
P352
P7501
P8114
P8210
P6
Atom HA of residue 28
P7009
P5027
P6014
P3571
P7720
P3565
P5228
P7403
P5977
P4069
Atom CA of residue 61
Model 228
P6145
P3375
P1427
P6758
P6942
P2242
Atom O of residue 34
Atom CA of residue 46
P4889
Atom C of residue 30
Atom CE2 of residue 63
P4075
P5513
P8325
P1419
P2176
P3030
P2017
P3536
P2756
P5466
P3381
P7814
P6052
P1889
Atom NZ of residue 11
P3262
P4059
DihedralSingletonScore0
Atom HB3 of residue 40
P9568
P5561
P5238
Atom HD2 of residue 37
Atom C of residue 35
P3365
Atom CA of residue 87
P5494
P4097
P2647
P2936
P2864
P1810
P3442
P5381
P3337
P7197
P7008
P2935
P3441
P8123
P6052
P13532
P11637
P7101
Atom HG23 of residue 13
P8448
P2469
P7035
P4658
Atom O of residue 28
P4743
P173
P3810
P1524
P1636
P4819
Atom HD12 of residue 15
Atom HB2 of residue 58
P1609
P7656
P2344
Atom CA of residue 27
P4163
P7987
P6550
P4
P4391
P3086
P5987
P2190
P5988
P4211
P7973
P7843
P7647
P2
P1852
P2068
P12957
P5229
P4772
P7404
P7286
P2898
P2388
P8196
P6386
P2494
P3
P7130
P8489
Atom HB1 of residue 28
P4493
Atom C of residue 19
P2574
P6015
P3572
P6891
P1784
P1420
P2387
Atom HD11 of residue 3
Atom HB3 of residue 67
P2
P3912
P5248
P7908
P8272
P7220
P2561
Atom C of residue 61
P1694
P3404
Covariance1DFunction 36
Atom N of residue 59
P6943
P8115
P6182
Atom CB of residue 34
P8211
P5562
P12218
Atom O of residue 30
Atom CE3 of residue 63
P3566
P2018
P5467
P8391
P4070
1G6J_MODEL1.pdb
P5766
P1428
P7262
P9569
P8213
P158
P5239
P6935
P3376
P13533
Atom C of residue 46
Atom HB of residue 5
P2177
P5495
P8473
P4098
P10214
P6486
P10925
P7722
Atom O of residue 19
P4076
P1890
P7009
P5514
Atom HD12 of residue 69
P7502
P3031
P3537
P2757
P11638
P70
P7010
P7102
P3382
P6053
P5028
Atom H of residue 11
P3263
P7721
P7036
Atom C of residue 87
P4060
Atom HB3 of residue 15
P2865
P3338
P3969
P7815
P1610
P3366
Model 166
P0
P2648
P2937
P3443
P5249
Atom HD11 of residue 13
Atom HD3 of residue 37
Atom O of residue 37
P5989
P8273
P2244
P2936
P1681
P3442
P7974
P3
P6146
P7198
Atom HB3 of residue 18
P4890
P2191
P6759
P12958
P4659
P4744
Atom HG of residue 67
P3811
P0
P1849
P4820
Atom C of residue 61
P1398
P7657
P8562
P4164
P7131
P8490
P6053
P6551
P4392
P138
P3087
P8326
P4212
P7988
P1811
P7648
P5230
P4773
Atom HG2 of residue 40
P7844
P1500
P2899
P6387
P2470
P4494
P2575
P3573
P8124
P5978
P5382
Atom HB2 of residue 28
P8392
P0
P3913
P6016
P8449
P5767
P7221
P2562
Atom HG22 of residue 5
P5468
P3405
P469
P5988
Atom HD22 of residue 25
P6944
P6183
P1682
Model 380
P6487
P10926
P12219
P2069
P7723
P3567
TYR
P7503
P1695
P2389
P6936
P7011
P4071
P2495
P6054
P5029
P353
P7722
P2
P7263
P2019
Atom HG of residue 15
P2345
P8475
ListSingletonContainer98
P3377
P13534
Atom O of residue 35
P1637
P2388
P8491
P10215
P7909
P4077
Atom H of residue 75
P7010
P6893
P5515
P8116
P3032
P5496
P3538
P8213
Atom HG13 of residue 26
Atom HB of residue 36
P2758
P9570
P3339
ListSingletonContainer367
P7103
P3383
P4891
P3264
P1429
Atom HZ of residue 4
P4061
VAL
P3367
P2649
P2938
P3444
P5383
P6054
P3970
P11639
P5250
Atom HB3 of residue 31
Atom HE21 of residue 2
P8327
P8274
P7405
P2243
P2937
P3443
P7975
P7287
P8212
P6147
P1781
P6760
P12959
P1
P1611
P3
P4660
P4745
Atom HG3 of residue 40
P1501
P6388
P3812
P53
P4821
P2471
P5990
Atom HB3 of residue 60
P4165
Atom HD11 of residue 67
P7132
P4393
P3088
P7264
P4213
P2651
P8125
P5979
P5563
P5240
ListSingletonContainer424
P7816
P1891
P8450
Atom CD2 of residue 15
P1399
P4774
P7658
P2178
P2900
P5469
P1
ALA
Atom HG3 of residue 16
P7989
P1572
P7199
P4495
P12220
P2497
ILE
P2576
P1638
P3574
P1430
P7037
P6184
P2866
P6552
P3914
Atom HB2 of residue 1
P5768
P7222
P8476
P133
P3406
P7649
Atom CG1 of residue 44
Atom H of residue 35
Atom HG13 of residue 13
P5989
P2389
P5232
P8199
P1696
P10216
P2390
P10927
Restraint 175
P7724
Atom N of residue 12
Atom HA2 of residue 75
P3568
P1
Atom HG13 of residue 5
P7504
P8117
P2346
Atom CA of residue 34
Atom HG12 of residue 36
P6937
P7012
P4072
P2070
P5030
P7723
Atom CG of residue 87
P1683
P7288
Atom O of residue 76
P7845
ListSingletonContainer211
P3378
Atom H of residue 68
Model 421
P2563
P8393
P3971
P11640
P7910
P4078
Atom N of residue 60
P6055
P6017
P5516
P6945
Atom C of residue 62
P3033
P3539
P7976
P1812
P2759
P6148
P3384
P3265
P6761
P4062
P5241
Atom HG3 of residue 31
PairScore 6
P5991
P3368
P2650
P2939
P3445
P5384
P8214
P5564
P3340
P13536
P2496
P6892
Covariance1DFunction 87
Atom CA of residue 26
Atom CA of residue 59
P7406
P2938
P3444
P5980
P6055
P6488
P1892
P7011
P12960
P7038
P7659
P4661
P4746
Atom HA2 of residue 76
P3813
P7104
Atom HB2 of residue 68
P4822
Atom N of residue 17
P7265
P5497
P8212
P4166
P7990
P54
P4394
P3089
P1782
P1612
P2245
P2179
P4214
P2652
P8126
Model 275
P1502
P9571
Atom HB of residue 70
P6553
P5251
P7817
P4775
Atom HD12 of residue 67
P2901
P8394
P7650
Atom CG2 of residue 44
PHE
P4892
Atom CA of residue 30
P5990
P8328
Atom HB3 of residue 37
P8200
P2867
P0
P1573
P7200
P4496
P2577
P8275
Model 393
P7133
P3915
P2472
P7223
Atom OD1 of residue 87
P8477
GaussianProcessInterpolation27
P7289
P1813
P3407
P12221
P83
P6185
Atom C of residue 34
P7846
P6489
P1
P7911
ASN
P6056
P8451
P3575
P3569
Multivariate Normal distribution 46
P6946
P8118
P6389
P4073
THR
P470
P1639
P10217
P3379
P139
P5769
P2580
Atom HA of residue 15
P9572
P8215
P5565
P4079
P2144
P6018
P5517
P3034
P3540
P2760
P10928
P11641
P3385
P7012
P3266
P8329
P2192
P12961
P5231
P7505
Atom O of residue 62
P4063
P7977
Atom HA3 of residue 76
Atom HG11 of residue 70
P5242
P6938
P3972
P7013
P7105
P5031
P7724
Atom C of residue 59
P3369
P1684
P7266
Model 205
P2940
P3446
P4893
P6762
P5992
P2939
P3445
P2391
P5252
Model 301
P7818
Atom HB3 of residue 68
P7039
P4662
P2347
P8214
P1697
P4747
Atom HD13 of residue 67
P62
P5470
P3814
Atom CD1 of residue 44
P2071
P4823
P8452
Atom HG2 of residue 37
P5498
P4167
Atom HA of residue 40
P1814
P157
P7201
P4395
P3090
P1893
P6894
P354
Atom H of residue 15
P8276
P7660
P4215
P2653
P7134
P5385
Restraint 168
P6554
Atom HA3 of residue 75
Model 116
P2390
SingletonConstraint 5
P4776
P1613
P7291
Atom H of residue 36
P2902
P8395
P6390
P7651
P13535
P12222
P86
P5981
P7847
P1503
P6056
P4497
P2578
P1431
P3916
Atom N of residue 16
Atom CA of residue 35
P2145
P5991
GLN
P7407
P7224
P2564
P8127
P8478
P5471
P3408
P10218
P5770
P2193
Atom HB3 of residue 25
P2180
P6186
P6490
Atom HE21 of residue 31
P6019
P3576
Atom HA of residue 15
P3570
P6947
P7991
P10929
P4074
P6057
P7506
P2392
P6939
P3380
P7014
P7912
P5032
P7725
P2246
P1699
P8216
P4080
P1642
P5518
P2473
P6763
SingletonModifier 5
P5233
P3035
P0
P3541
P8195
P2868
P2761
P5566
P3386
P7013
P3267
P8330
Atom C of residue 41
Atom CG of residue 6
P7408
P8119
P4064
P1685
Atom HG21 of residue 13
P2348
P8215
P7106
P2072
Atom H of residue 5
Atom N of residue 76
Atom CA of residue 21
P3370
P5499
P7290
P2941
P3447
Atom HG12 of residue 70
P7728
P2498
P6895
Atom O of residue 87
P2940
P7267
P3446
P0
P5386
P5244
P2391
P4748
P7135
P3815
P4894
Atom HE22 of residue 31
P4824
P8453
P4168
P5982
P175
P11642
P4396
P7819
P8362
P3091
P2194
P7041
P4216
P2654
P7978
Atom HA of residue 36
P9573
P13537
GLU
Atom CA of residue 60
P5992
P4777
P2565
P4
P8128
P8479
P1504
P2903
P5472
P6391
P3973
P7202
Atom O of residue 46
P1432
P5993
Atom HG21 of residue 61
P6057
Atom CB of residue 44
P4498
P12223
P2579
GLU
P2146
P5771
P12962
P7409
Atom CB of residue 62
P3605
P7992
ListSingletonContainer457
P3917
P1894
P7225
P7661
P2181
P3409
P6555
P5253
P7913
P8277
Atom CD of residue 64
P2247
Atom HG22 of residue 13
P10219
P3341
P7652
P7726
Atom CD2 of residue 68
P3577
P4595
Atom HB3 of residue 58
P5234
P10930
P4075
Atom HB2 of residue 15
Atom O of residue 41
P7507
P8120
GLY
P6940
P8396
P176
P3381
P7015
P5033
P1643
P6020
P7726
Atom HG23 of residue 61
P2869
P8217
P4081
Atom CA of residue 24
P6896
P5519
P1614
Model 8
P6187
P3036
P3542
P8196
P2762
P6491
P3387
P140
P3268
Atom C of residue 21
P6764
P6948
P4065
P8216
Atom HD21 of residue 67
P7292
P1607
Atom CA of residue 55
P3371
Atom CB of residue 87
P2942
P5983
P3448
P2393
P7820
P6058
P2611
GLY
P2392
P2941
P3447
P2349
P9574
P13538
P5254
P2073
P12963
Atom HD2 of residue 48
P8278
Atom CG of residue 62
P5500
P4749
P3342
Atom HG13 of residue 70
P3974
P3816
P7203
P7727
P4895
P8232
P4825
P7014
Atom CB of residue 46
P2474
P1587
P3606
P4169
P1815
P7848
P5567
P6058
P11643
P7107
P4397
Atom N of residue 32
Atom C of residue 60
P3092
Atom C of residue 16
Atom OE1 of residue 64
P4217
P2655
P7979
P1362
P8331
Atom O of residue 21
P4778
P7662
P2566
P8129
P2904
P6556
P355
P5993
P5994
P7268
P4
P7136
P5473
P7653
P4499
P1895
P4596
P3918
P84
Atom HD3 of residue 48
P7226
P7993
P5387
P3410
P5243
P8397
Atom C of residue 1
CHARMMStereochemistryRestraint3
P6021
P8454
Atom C of residue 31
P2195
Atom HD22 of residue 67
P7849
P8218
P6393
P2499
P7914
P3578
P5235
Atom HG23 of residue 13
P6492
P13539
P4076
P5772
P6949
P7040
P8121
P1588
Atom HD11 of residue 61
P1
P4099
P1505
P3382
P12224
Atom C of residue 24
P2147
P1615
Atom HA of residue 37
P1700
P4082
P2612
GaussianProcessInterpolation19
P5520
P2475
Atom N of residue 3
P6188
P3037
P3543
P8480
P1608
P1816
P2763
P3388
Atom C of residue 55
P1363
P3269
P4066
P5501
P8217
P9575
P10220
Atom HG21 of residue 70
P10931
P3975
P7729
Atom HG13 of residue 5
P4896
P7015
P7508
P3372
P7294
P2943
P3449
P2394
P159
P6941
P11644
P7016
P7108
Atom O of residue 60
P6059
P5034
P7727
Atom CD1 of residue 62
P2942
P3448
P7980
P5388
P5255
P7821
P8332
Atom CB of residue 41
P12964
P8279
P2248
P2182
P4750
Atom HG2 of residue 18
P3817
Atom CA of residue 76
P4826
P6897
P5995
Model 347
P3607
P2350
P4170
P5568
P7204
P4398
P2074
P3093
P6765
P7410
Atom HB2 of residue 21
P4218
P2656
P1336
ListSingletonContainer492
P2500
P2393
Atom O of residue 16
P4779
P7663
P2567
Atom OE2 of residue 64
P7137
P5984
P2905
P6059
P5245
P6557
P8455
Atom CA of residue 19
P7269
P2870
P7850
P7654
P4500
P4597
P3919
Atom HE2 of residue 29
Atom HG2 of residue 31
P2613
P5773
P1364
P2196
P7227
P7042
P8481
P4100
P3411
P6493
Model 385
Atom CG of residue 32
P2148
P1640
Atom HH21 of residue 72
Atom HB2 of residue 37
P8130
P6022
P3579
P5236
P1589
Atom HB3 of residue 21
P7293
P7994
P13540
P4077
P5994
P2476
P6950
P6189
P0
P8218
P1701
P5474
P3343
P10932
P3383
P12225
Atom O of residue 42
Atom HB3 of residue 15
P7509
P2183
Atom HD11 of residue 13
P1506
P6942
P7017
P7730
P4083
P6060
P5035
P6898
P5521
P7728
Atom H of residue 46
P3038
P3544
P2764
P8398
P3389
Atom CG of residue 42
P3270
Atom CG of residue 41
Atom O of residue 19
P4067
P10221
P2395
P6392
P7915
P1896
P7016
P1616
P3373
P8122
P2249
P5502
P2944
P3450
P5569
P70
P7109
P7411
P2943
P3449
P2871
P5389
P3976
P13541
Atom C of residue 76
P4751
P5985
P8219
P6060
P3818
P11645
P2075
Atom CG of residue 60
P4827
P7270
P3608
P7981
P4171
Atom HG3 of residue 18
P9576
P4399
Atom OD1 of residue 32
P413
P3094
P6766
Restraint 153
Atom HB of residue 61
P4219
P2657
P2351
P0
P5246
ListSingletonContainer425
P1739
P5996
Atom C of residue 19
P4780
P7138
P1817
P2906
P5256
P12966
Atom HB3 of residue 37
P8131
P1609
P71
P4501
P7822
P141
P8333
P4598
Atom HD21 of residue 43
P5237
P7043
Atom H of residue 64
P7296
P7995
P7851
P3920
P2
P2581
Atom O of residue 76
P5774
Atom HA of residue 46
P8280
P7228
P8482
P4101
Atom HD23 of residue 67
P3412
P3344
P6494
P7205
P12226
P7731
Atom HG of residue 15
Atom HG21 of residue 13
Atom HE2 of residue 48
P7664
P1664
Atom N of residue 22
Atom HD12 of residue 13
P6558
P2501
P4897
P3580
Atom HA of residue 22
P8220
P8401
P7655
P4078
P1641
P8456
P5995
P2394
P5475
P10222
Atom HG22 of residue 70
P3384
P1897
P7510
P8123
P0
P2250
P6943
P7018
Atom HH22 of residue 54
P4084
P5036
P85
P6899
P5522
P7729
P6190
P3039
P3545
Atom HB2 of residue 45
P0
P4
P2765
P6394
P10933
P3390
Atom HE3 of residue 29
PHE
P3271
P0
P7412
P1617
P4068
P2184
P11646
P7916
Atom OD1 of residue 60
P6061
P6023
P8334
P1335
Atom O of residue 19
P6951
P3374
P1590
P7982
P2945
P3451
P2149
P6767
P2944
Atom HB of residue 22
P3450
P13542
P1556
P5997
P4752
P1507
P5570
P3819
P5257
P4898
P4828
P3609
P4172
P2872
P5986
P9577
P6061
P4400
P1740
P3095
P8457
P7017
Atom HD22 of residue 43
P2477
Atom HA of residue 64
P2658
Atom HB3 of residue 45
P8219
P5247
P7110
Atom H of residue 41
P4781
P8281
P7271
P5503
Atom N of residue 68
P1610
P5390
P2907
P6495
Atom HG12 of residue 23
P7665
P8132
Atom HD13 of residue 50
P6559
P4502
P7823
DihedralSingletonScore2
P1395
P7044
Model 28
P4220
P2
P2396
ListSingletonContainer212
P8402
P7656
P3921
P2582
Atom HG22 of residue 13
P5996
P7229
P4102
P5476
P3413
P7206
P2076
Atom HB1 of residue 46
P1698
P7139
P3977
P3581
P4599
P2395
P1665
Atom HD2 of residue 37
P7295
Atom HD13 of residue 50
P6395
P4079
P12227
Atom HD2 of residue 29
P12965
P7413
P2
P1818
P3385
P7917
Atom HE21 of residue 2
P6062
Atom HG3 of residue 1
P5775
P6952
P8124
P2352
P8484
P8220
P7852
P8221
Atom N of residue 71
P4085
Atom HB2 of residue 41
P2150
P5523
Atom CA of residue 41
P6191
P3040
P3546
P2766
P10223
P3391
P3272
P1317
P1591
P4069
Atom HD22 of residue 50
P7996
P1508
P5571
P2502
P6024
P8335
Atom HE3 of residue 48
P5238
P3375
P2946
P3452
P9578
P3345
P11647
P7018
P1557
P7511
P2945
P2185
P3451
P7983
Atom HD21 of residue 50
P6944
P7019
P7111
P5037
P1396
P1898
P6901
P408
Atom HG1 of residue 22
P7272
P4753
P5391
P10934
P3820
P4899
Atom H of residue 76
P4829
P6768
P5998
P3610
P4173
P2873
P13543
P4401
P7824
P3096
P8458
P2659
P5248
P178
Atom O of residue 32
CHARMMStereochemistryRestraint2
P414
P2396
Atom HD3 of residue 19
P4782
P5504
Atom HD1 of residue 45
P2908
P7207
P7732
P1555
P7666
Atom HD23 of residue 69
P7140
P2397
P6560
P4503
P7731
P7045
Atom HD3 of residue 37
P4221
P7657
P3922
P12228
P2583
P2478
P7230
P1618
P2251
P4103
P5987
P3414
P160
P6062
P3978
P1741
P142
Atom HG22 of residue 14
P5776
P1318
P5258
P2077
P3582
P5997
P4600
P12967
P5239
P8282
P8133
P1819
P5477
P10224
P8403
P6396
P4080
Atom HB2 of residue 46
Atom N of residue 20
P2353
P7997
P3386
P2503
Atom HD3 of residue 29
P6025
P6953
Atom HD13 of residue 13
P1611
P7853
P3346
P4086
P6063
P5524
Atom NE2 of residue 41
P7512
P3041
P3547
Atom HD22 of residue 50
P2767
P6945
P6496
P7020
P3392
P7918
Atom HB3 of residue 41
P5038
Atom HG23 of residue 7
P3273
P4070
P8221
P10935
Atom HA2 of residue 76
P6769
P3376
P2947
P3453
P5572
Atom CB of residue 60
P1899
P7019
P1556
P8125
Atom HB2 of residue 64
P2946
P3452
Linear1DFunction 6
P1509
P8223
P5249
P7112
P2252
P2186
P6192
P5505
P8483
P2056
P4754
HIS
P3821
P5259
P4830
Atom HD23 of residue 43
P8283
P1619
P1666
P7273
P3611
P4174
P13544
P4402
P3097
Atom H of residue 41
P7732
P7046
P1592
P2660
P2874
P162
P417
Atom O of residue 9
P4783
P1820
P2909
P9579
LEU
P11648
P13033
P7733
P1397
P8336
P7984
P7141
P4504
P4900
P8235
P2151
P6900
P5998
P1737
P12968
Atom HB3 of residue 64
P4222
P8134
P5478
P8404
P3979
P3923
P7208
P1742
P7825
Atom CB of residue 32
P2584
P1558
Atom HB3 of residue 46
P5999
SER
P7414
P7231
P5988
P3415
P6063
P6497
P71
P12229
Atom HB of residue 44
Atom N of residue 44
Atom N of residue 14
P1612
P7854
P5392
P7658
Atom HG23 of residue 14
P8459
P3583
P4601
P5240
P7667
P56
P6397
ListSingletonContainer571
P6561
P4081
P7919
P5777
P10225
P3387
P13035
P7998
P10936
Model 91
P4087
P8238
P5525
P1337
P7513
P8126
P3042
P3548
Atom N of residue 46
P2768
P2398
P6946
P7021
P3393
P5039
P6026
P3274
P2479
P7415
P4071
P2354
P1
P2057
JeffreysRestraint_P0
Atom CA of residue 68
P7297
P3347
P2078
Multivariate Normal distribution 24
Atom HG22 of residue 7
P3377
Atom HG of residue 50
P2948
P3454
P9580
Atom CA of residue 71
P2504
P6770
P6954
P2253
P2947
P3453
P8485
P2152
P1738
P7733
P1667
P6193
P4755
P5393
P3822
P5260
P13036
P7734
P6064
P4831
Atom HA of residue 41
P8337
P8284
P1620
P1593
P3612
P8223
Atom C of residue 24
P4175
P1510
P6064
P6
Atom HG11 of residue 5
P4403
P4901
P8239
P3098
P2661
P5506
P1320
P7209
Atom HG2 of residue 41
Atom NE2 of residue 62
P7020
P1559
P2397
P4784
P5989
P2910
P5573
P11649
P7113
P2080
Atom HG12 of residue 44
P6902
P2398
P7985
Atom CD1 of residue 30
P8222
P7659
P4505
P8460
P12969
P1338
P7668
P8135
P2
P6398
P6562
P3924
Atom CA of residue 7
P2585
P1398
P5999
P6000
P7232
P3
Atom HG2 of residue 64
P7274
P5479
P3416
P6498
P1
P5097
P5250
P3980
P7826
P1900
P3584
P409
P4602
ILE
P2187
Atom HG2 of residue 37
ALA
P7142
P2875
P2399
P4082
Atom HA of residue 62
P6027
P2480
P7416
Atom C of residue 49
P0
Atom CB of residue 24
P7298
Restraint 88
P7855
P3388
P13037
P7920
P7047
Atom HA of residue 30
P1743
P4088
Atom C of residue 10
P5526
Atom HB of residue 7
P6955
P8127
P3043
P3549
P8487
Atom CB of residue 2
Atom C of residue 68
P2769
P12230
P3394
P1
P3275
P5242
P4072
Atom HB of residue 55
P7999
Atom C of residue 71
Atom HA of residue 13
P5778
P3378
P6194
THR
P2355
P2949
P3455
P87
P2052
Model 131
P2948
P3454
P5507
P2058
P10226
P8399
P10937
P143
Atom HG3 of residue 41
P7021
P2398
P7514
P1557
P4756
P5394
P1511
P6947
P3823
P11650
P7022
P7114
P5040
P4832
P1901
P6903
P3613
P7986
P4176
P164
P4404
P415
P2153
P3099
P2662
Atom HD23 of residue 50
P5251
P5261
P6065
Atom N of residue 47
P6001
P4785
P2254
P1613
P1821
P2911
P8224
P5574
P7210
Atom CG of residue 6
P7734
P6771
P1618
P5098
P4506
P2505
P7827
P1399
P1560
P2481
P12970
P7048
P1621
P7669
P1668
P7143
P5990
P3348
P6563
P3925
P8237
P2586
P8338
P7233
P1594
Atom O of residue 49
P7275
P8222
P7856
P3417
P7660
Atom HB2 of residue 41
P8285
P2188
P7299
Atom HG1 of residue 55
P2876
P6
P7735
Atom HB2 of residue 62
P3585
P4603
Atom CA of residue 14
Atom N of residue 51
P9581
P5262
P4083
P4902
Atom HG22 of residue 12
Atom HG3 of residue 37
P8136
P8000
Atom HB of residue 30
P3389
P1744
P6028
P8461
P5779
P2399
P7417
P1558
Atom CG of residue 24
Atom N of residue 19
P2400
P6500
P4089
P90
P5527
P6000
JeffreysRestraint_P0
P6956
P3044
P2399
P3550
P8488
P1822
P2770
P5480
P13038
P12231
P3395
Atom HD2 of residue 4
Atom CD of residue 6
P3276
P7515
Atom HG3 of residue 64
P4073
P6065
P6948
P7023
P5041
GLY
P3379
Atom O of residue 68
P1614
P2950
P3456
P6399
P10938
P3981
P7736
Atom HB of residue 13
P8339
Atom CA of residue 44
P1421
Atom C of residue 30
P2949
P3455
P10227
P38
P8400
P7921
P6066
P7022
P8128
P6195
P5508
P4757
P8225
P5575
P3824
P7115
P4833
P6904
P1739
P3614
P2059
PRO
P4177
Atom HG23 of residue 70
Atom C of residue 17
P4405
P4903
Atom HA of residue 1
P3100
P12971
P5241
P2663
P1655
P5991
P5252
P11651
ListSingletonContainer576
P13047
Atom HG22 of residue 44
P1902
P8462
P4786
P7276
P1619
P7987
P2912
P8236
P2154
Atom HB3 of residue 41
P7735
P6772
P8286
P1669
P5395
P5099
P3349
P93
P4507
P7828
P1422
P6002
P7049
P1595
P2356
Atom HE2 of residue 45
P8224
P7144
P3926
P2081
P2506
P2587
P7234
P8137
P0
P3418
P1561
Atom C of residue 14
P1823
P7857
P3586
P4604
P2255
P2400
Atom HG21 of residue 55
P1512
P6400
P4084
P7211
P12232
Atom CD2 of residue 15
P1567
P7670
Restraint 24
Atom N of residue 65
Atom HE1 of residue 45
P9589
P3390
P6564
P1400
P5780
AngleSingletonScore6
P2
P7661
P5263
P7737
P4090
ASP
P5528
P6001
P1740
P3045
P3551
P8489
P2771
P5481
P10228
P4663
P3396
Atom HA of residue 41
P3277
P7516
P2050
P8129
P4074
P2189
Atom CB of residue 49
Atom CB of residue 68
P7301
P6066
P6949
P7024
P5042
Atom CE of residue 6
Atom C of residue 44
P3380
P2951
P3457
P10939
Linear1DFunction 4
P8340
Atom CA of residue 47
P1423
P2950
P3456
P2401
P11652
ListSingletonContainer484
P7922
Atom HG23 of residue 44
P6067
P6029
P2402
Atom O of residue 30
P6957
P7418
P6196
P1318
P1620
P2357
P7988
Atom CA of residue 19
P4758
P1615
P9582
P8226
P6499
P3825
P13039
P2507
P4834
P6905
P410
P7736
P6773
P5243
P3615
GLU
P1656
P4178
P2877
P8001
P5396
P4406
P4904
P7829
P144
Atom CA of residue 21
P3101
P6003
P2664
P8225
P5576
Atom O of residue 17
Atom CG of residue 62
P2155
P8463
P4787
P2061
P5992
P2913
P3350
P3982
P1745
P7023
P2482
Atom CB of residue 30
P5100
P4508
P7116
P2082
Atom CG of residue 49
P7277
P5509
P161
P3927
Atom HB3 of residue 16
P2588
Atom HG21 of residue 12
P1562
P7235
P7671
P8138
P2
Atom HZ of residue 45
P4663
P3419
P5254
P4664
P6565
P1903
P1624
P2256
P1
P1513
P7662
P3587
P6002
P4605
P1424
P8490
P5482
P6401
P4085
P7212
P1401
P8287
P7051
P2190
P7145
P3391
Atom H of residue 15
P416
P1825
P2400
P12972
Atom HG22 of residue 55
P9583
P12233
P4091
P5529
P5244
P1559
P1670
P3046
P3552
P2878
P2772
P3397
P7738
P7923
P6068
P3278
P6958
P8130
P4075
P7858
Atom H of residue 53
P88
P6906
P3381
P2401
Atom O of residue 14
P2952
P8002
P3458
P10229
P2402
ListSingletonContainer361
P1746
Atom OE1 of residue 31
P5781
P2951
P1596
P3457
P7300
P5577
P6501
P5265
P6030
P2483
P8289
P7419
Atom HE2 of residue 45
P4759
P1616
P1836
P8227
P3826
P11653
Atom C of residue 21
P4835
P7024
P7517
P3616
P7989
P4664
P1657
P4179
Atom HG23 of residue 55
VAL
P5101
P6950
P7025
P7117
P4407
P5043
P3102
P7278
P2665
P2358
P8491
P8226
P10940
P3983
ListSingletonContainer384
P7830
P6774
P6004
P4788
P2914
Atom NZ of residue 6
P6197
Atom CD of residue 49
P9584
P6067
P4509
P13034
Atom HG2 of residue 16
P8341
Atom C of residue 47
P12973
P5510
P1621
P3351
P3928
P7213
P4905
P2589
P1
P7737
Atom CB of residue 30
P7236
P1625
P1560
P7672
Atom HA of residue 8
P7146
P3420
P4665
P6566
P1425
Atom O of residue 6
Atom CG of residue 68
Atom CA of residue 26
P7663
P12234
P8428
P3588
P4606
JeffreysRestraint_P1
P1671
Atom O of residue 3
P5993
P5397
P4086
P8464
P1597
P3392
Atom HG13 of residue 44
Atom HA2 of residue 53
P1613
P6003
Atom CB of residue 14
P8139
P2337
P5483
P10230
P6068
P4092
Atom HB2 of residue 1
P2156
P5782
P5530
P2401
P5245
P3047
P3553
P2773
P5253
P6502
P39
P3398
P6031
P1741
P6959
P8290
P7420
P0
P4076
P2062
P7859
P1514
P8228
P6403
P6069
P2484
P1426
P7518
Atom O of residue 68
P3382
P7303
P2953
P2879
P3459
P6951
P7026
P7924
P5044
P1402
P1563
Atom HB3 of residue 24
P7050
P2952
P3458
P1617
P8003
P10941
Atom O of residue 1
Atom H of residue 31
P3279
P6775
P2257
P2402
P4760
Atom N of residue 56
P5578
P3827
P1747
P2508
P4836
P7025
Atom H of residue 6
P7738
P8131
P3617
P4665
P4180
P2338
P5398
P7118
P4408
P7739
P3103
P8342
Atom O of residue 47
Atom H of residue 35
P2666
P5511
P8227
Atom ND1 of residue 68
MD 6
P4906
P411
Atom CG1 of residue 30
P4789
Model 189
P7279
P2
Atom CZ of residue 4
P1658
P2915
P6069
P6198
P1622
P2359
P8486
P3984
P5264
P4510
P2079
Atom HG3 of residue 24
P12974
P2191
Atom HZ of residue 45
ListSingletonContainer213
P3929
P11654
P2590
P8465
P6907
P7237
P3
P7990
Atom C of residue 26
P7147
P3421
P2403
P4666
P0
P6004
P1742
P1427
P8140
P7304
P5484
P7214
P8429
P7831
P3589
P4607
P6005
P1672
P1835
P5994
P4087
P12235
Atom HG of residue 20
Atom HA3 of residue 53
GaussianProcessInterpolation9
P1904
P1614
P7860
P3393
P145
Atom CG of residue 68
P7673
Atom OE1 of residue 49
P2339
P5255
P6567
P7925
Atom HG21 of residue 44
P4093
P5783
P5531
GaussianProcessInterpolationRestraint 39
P3048
P3554
P2063
P1
P2774
P5102
P10231
P9
P7664
P3399
P5045
Atom C of residue 44
P2157
P4077
P5
P2509
Atom CB of residue 5
Atom N of residue 8
P1564
P1428
P5246
P7519
P7052
P3383
P8132
P1598
P2192
P2954
P3460
P1515
P3523
P6952
P7027
P6032
P7421
P2953
P3459
P8228
P9585
P10942
P2548
Restraint 10
P1403
P3280
P1622
P4761
P2880
P3828
P4837
P6908
P6776
P6960
P3618
P4666
Atom C of residue 13
P4181
P8004
P5399
P4511
P4409
P7747
P3104
Atom HA of residue 6
P8291
P6199
Atom N of residue 46
P2667
P1659
P6402
P1748
Atom HG22 of residue 12
P6070
Atom CG of residue 44
P89
P4790
Atom HA3 of residue 35
P2360
GLU
Atom CD2 of residue 68
P7302
P2916
P1429
P2258
P2
P2340
P5103
P7215
Atom O of residue 51
P7026
Atom CA of residue 13
P2370
P1836
P5995
P8229
P5579
P2404
P6503
P3930
P11655
P7119
Atom HA of residue 31
P2591
Atom N of residue 25
P7238
P1345
P7991
P3422
P4667
P8343
P1561
P7674
Atom NE2 of residue 49
P8141
P1618
P6568
P7832
P1905
P3590
P6005
P4608
Atom H of residue 47
P2485
P6006
P7280
P2403
P5512
Atom CD of residue 42
P5485
P7665
P40
P2894
P4088
P7740
Restraint 129
P12976
Atom CD of residue 68
Atom OE1 of residue 40
P1623
P3394
P4907
Atom O of residue 5
P5247
P7053
P1673
LEU
P7148
P5258
P4094
Atom N of residue 54
P6033
P8466
P5532
P7739
P7422
P3049
P3555
Atom CA of residue 18
P7861
P2775
P8430
P3400
P2549
P2510
P7926
P8292
P4078
P9586
P3352
P4016
JeffreysRestraint_P0
Atom HA of residue 70
P6961
P3384
P8133
Atom O of residue 13
P2955
P8005
P3461
P6504
Atom O of residue 22
P12236
P1623
P2954
P3460
P2881
P46
ListSingletonContainer385
Atom N of residue 36
P5784
P3281
P8344
GaussianProcessInterpolation71
P1599
P2193
Atom H of residue 40
P1346
P4762
P8230
P6070
P3829
P5046
P4838
P6909
P3619
P4667
P4182
P10232
P6404
P4512
P4410
P1749
GLU
ARG
Atom OD1 of residue 44
P2158
P3105
P7027
P2403
P7520
P1562
P2668
P2371
P6953
P11656
P7028
P7120
P4908
Atom HB2 of residue 31
P6071
P1615
P1565
P4791
P2404
P5513
P4
P7992
P2343
P2917
P10943
P7741
Atom H of residue 1
Atom CB of residue 51
P8467
P2259
P6200
P5104
P7833
Atom HA2 of residue 47
P6007
P2060
P1837
Atom CE1 of residue 68
P5400
P1516
P5580
P3931
P7216
Atom HB of residue 70
P2592
Atom H of residue 24
P6777
P1430
P7239
P1619
P9587
P3423
P4668
P2511
P1404
P7675
P8229
Atom CA of residue 56
P7149
P5996
P3353
P6569
P3591
Atom HB2 of residue 6
P1743
P4609
P7281
P1624
Atom HD13 of residue 30
Atom HG23 of residue 30
P7862
Atom N of residue 23
P7666
P2895
P4089
Atom CB of residue 56
P1674
P3395
P418
P7054
Atom C of residue 1
Atom C of residue 18
P1660
P7305
P2405
P96
P4095
P0
P5533
P1616
Atom CB of residue 18
Atom NE of residue 68
P3050
P3556
P2361
P8142
P2776
P8431
P3401
P146
ILE
P6034
P5785
P7747
P2404
P8293
P7423
P4079
ALA
P2372
P6071
P1406
P6006
P2486
P6962
P3385
Atom N of residue 36
P2956
P3462
P5486
P6505
P6405
P3985
P12237
P2159
P12975
P7521
P2955
P1600
Atom HA of residue 40
P3461
P5514
P8503
P6954
P7029
P6072
P5047
P8345
P1378
P4763
P8231
P10944
P3830
P7742
P4839
P1596
P3620
P4668
P4183
P10233
P5259
P4513
P4411
P2550
P7927
P3106
P7028
P1567
P8134
P2194
P2669
P2
P8230
Atom NE2 of residue 68
P5401
P1517
P5581
P7121
P4909
Atom CA of residue 18
Atom CA of residue 54
P1744
P7740
P1431
P5248
P4792
P2918
P8468
Atom HZ1 of residue 48
P6201
P5997
ListSingletonContainer214
Linear1DFunction 19
P94
P11657
P6911
Atom HB3 of residue 6
P2405
Atom CA of residue 46
P7282
Atom N of residue 31
P7993
P8006
P3932
P2593
P6778
Atom CG of residue 56
Atom CG of residue 18
P7240
P1620
P3424
P4669
P3986
P2
Atom HG11 of residue 70
P7834
P6008
Atom ND2 of residue 25
P2405
Atom HG2 of residue 33
P7150
P2882
P8504
P3354
P1906
P3592
P4610
Atom CZ of residue 68
P2260
P8143
P2341
P5105
P2896
P4090
P8432
P1379
P1838
Atom O of residue 12
P1661
P7863
P2407
P3396
P1750
P421
Atom CG of residue 51
P7055
ILE
P0
P7306
P6072
P7217
P12238
GLU
P4096
P1407
P5534
P1597
P7676
P3051
P3557
P2777
P6570
P3402
Atom N of residue 44
P5786
P8288
P4080
P2362
P7667
P0
P1617
P6007
P7741
P12977
P5249
Atom HA of residue 25
P3386
P1625
P2957
P3463
P5487
P10234
P5260
P6406
Atom HZ1 of residue 6
Atom CA of residue 5
P7522
P8135
P0
P2956
P3462
P2342
P6955
Atom N of residue 8
P7030
P7928
P5048
Atom HA3 of residue 47
P4764
P1622
P6506
P10945
P3831
P2551
P2512
P2160
Atom CD of residue 51
P4840
P108
P1907
P3621
P4669
P4184
P11658
P4514
P4412
P7743
Atom NE2 of residue 31
P6073
P3107
P6035
P1566
P6963
P7424
P1675
P2670
P7994
P8231
P8007
P9588
P90
P2487
P6779
P4793
P1563
P2373
P2919
P7835
P6009
Atom C of residue 46
P2406
Atom HG3 of residue 33
P1518
P5582
P8434
Atom CD1 of residue 56
P2261
Atom HG3 of residue 27
P1377
P6
P5998
P5106
P3933
P2594
P7029
Atom HG2 of residue 6
P8346
P7241
P1839
P3425
Atom O of residue 31
P4670
P2
P7122
P4910
P7742
P7056
P1601
P7283
P8505
P163
P6073
P2
Atom CA of residue 24
P8194
P3593
P4611
P1432
P7677
P6202
P8144
Atom HG13 of residue 30
P2883
P5261
P6571
P2897
P4091
Atom CB of residue 40
P5402
P3397
P7668
P8469
P6910
P6008
P12978
Atom HB2 of residue 25
P5515
P1623
P5488
P7218
P1751
P7929
P8411
P5535
P3052
P3558
Model 270
P7151
P2344
P2778
P3355
P3403
SingletonScore 4
Atom N of residue 48
P4081
P1626
P6507
P12239
Atom HG12 of residue 70
Atom C of residue 54
Atom CA of residue 39
Atom NE of residue 54
Atom O of residue 36
P2
P1568
P5250
P1564
P3387
P2958
P3464
P6407
P91
Atom CB of residue 29
ListSingletonContainer485
P6074
P6964
P8136
P2957
P3463
P1662
Atom H of residue 68
P7864
P1988
P1618
P1598
P2488
P2546
P1603
Atom CE of residue 11
P4765
P57
P3987
P3832
P8435
P2552
P8197
P4841
P5787
P1676
P3622
P4670
P4185
P8379
GLU
P5583
P4515
P4413
P3108
P1408
Atom OE1 of residue 51
P6036
P7425
Atom HD2 of residue 27
P2671
P2363
P7307
P5403
P11659
P2161
P7030
P361
P8347
P4794
P7523
Atom CB of residue 68
P7995
P8008
P2920
P5107
P6956
P3
P7031
P7123
P4911
P5049
Atom NH1 of residue 54
P1745
P7284
Atom HA of residue 3
P10235
P10946
Atom CD of residue 29
P2513
P7836
P147
P6780
P6010
Atom CG of residue 31
ARG
P3934
P2595
P7242
P2195
P2345
P1519
P3426
P4671
ListSingletonContainer476
P8470
P2406
P1433
Atom CD2 of residue 56
P2407
P5516
Atom C of residue 64
P2408
P7219
Atom O of residue 48
P8412
P3594
P4612
P7678
P6203
P1347
P2374
P7152
P6572
P2898
P4092
P419
P6912
Atom HA of residue 68
P8380
UnaryFunction15
P3398
P7669
P12240
P8433
Atom HG13 of residue 70
Atom O of residue 54
Atom CB of residue 36
P3
P12979
Atom O of residue 46
P5999
P6408
P5536
Atom HA2 of residue 35
P3053
P3559
P2779
P3356
P3404
Atom C of residue 39
Atom HG3 of residue 6
P6009
P1569
P1566
P4082
P8145
P1624
P5489
P7744
P5788
Atom N of residue 49
P3388
P1663
P2959
P2884
P3465
P8506
P1409
P6037
P1746
Atom HB2 of residue 15
Atom HG2 of residue 19
P6965
P7426
P2958
P3464
P1840
P7865
P10236
P3988
P24
P6075
P7524
P7057
P1604
P4766
P9590
P2409
P5256
P6957
P3833
P7032
P1752
Atom O of residue 42
P8198
P5050
P4842
P2568
P2262
P3623
Atom HD2 of residue 33
P2364
P4671
P4186
P10947
Atom CE of residue 29
P41
P4516
P4414
P2514
P3109
P1599
P7743
P5252
P2672
P1348
P7308
P5404
P5584
Atom O of residue 39
Atom NH2 of residue 54
P7031
P2407
P4795
P8137
P2375
P3
P1520
P2921
P5108
P7124
P2162
P1908
P2489
Atom H of residue 56
P5517
Restraint 165
Atom O of residue 64
Atom CB of residue 37
P6074
Atom CB of residue 48
P0
P2200
P1306
P2196
P7285
P8009
P2346
P166
P3
P3935
P2596
P109
P6913
P7243
P6204
P1627
P3427
P4672
P6508
P2553
Atom CG of residue 25
P11660
Restraint 117
P7930
Atom OE2 of residue 51
P3595
P8348
P4613
P12980
P1677
P7996
P7153
Atom N of residue 29
P2899
P4093
Atom HD2 of residue 6
P6010
LYS
Atom HG3 of residue 19
P8146
P8381
P5490
P3399
P7220
P7745
P7837
P6011
P7058
P2263
Atom HB2 of residue 68
P6000
P8507
P10237
P6075
P12241
P4912
P5537
P6781
UnaryFunction13
P3054
P3560
Atom HD3 of residue 33
DihedralSingletonScore1
P7866
P2780
P9591
P3405
P8471
P7679
P4083
Atom HB3 of residue 27
P2408
P2885
P6573
P1753
P5789
P3389
Atom CB of residue 46
P1841
P2960
P3466
P7670
P1909
P1565
P2959
P3465
P7309
P6509
P7744
P7525
P8138
P4767
Model 276
Atom CD of residue 31
P5257
P6958
P3834
P7033
Atom N of residue 37
P5051
P4843
P1600
P8349
P1434
P2569
P7427
P3624
P4672
P4187
P10948
P4517
P4415
Atom HG22 of residue 9
P3110
P1307
P2673
P8010
P5109
P3357
Atom CA of residue 36
P8413
P6038
Atom HB3 of residue 15
P6966
P4796
P1628
P1357
P2922
P6409
P92
P4913
P1619
P6782
P2201
P1605
P1621
P3989
P7931
Atom HG21 of residue 70
P6076
Atom H of residue 51
P8472
P362
P12981
Atom CA of residue 29
P3936
P2597
P6914
Atom CA of residue 48
P7244
P1945
P5405
P3428
P2894
P4673
P7221
P2554
P7746
P2515
P148
P7032
P5251
P1679
P4
P1664
P6001
P5585
P6076
P11661
P7125
P3596
P4614
P6205
P7997
Atom C of residue 2
P9592
P2900
P4094
P7745
Atom HG21 of residue 22
P7680
P5518
P8147
P1358
P1522
P3400
P6574
P7842
Atom HD13 of residue 3
Atom HA of residue 16
Atom HD3 of residue 6
P6011
P2490
P6012
P7059
P7286
P2365
P7311
P2347
P5491
P7671
P8436
P8414
P5538
P1435
P3055
Atom HG2 of residue 27
P3561
P2781
Atom CA of residue 29
P3406
P2163
P2408
P4084
Atom HE2 of residue 33
Atom HB3 of residue 68
P7154
Atom OE1 of residue 31
Atom CB of residue 54
P7428
Atom HB of residue 66
P3390
P1317
P2961
P3467
P7867
P6410
P42
P1405
P1574
P2960
P3466
Atom H of residue 2
Atom HZ2 of residue 63
P6510
ListSingletonContainer472
Atom HG22 of residue 70
Atom CG of residue 48
Atom CD1 of residue 129
P1747
Atom HG22 of residue 22
P6967
P1309
P8139
P2264
P1
P1665
P4768
P8382
P8508
P3835
P12242
Model 302
Atom CA of residue 63
P4844
P1620
P8350
P2570
P1606
P3625
P4673
P4188
P3990
P4518
P4416
P7932
P7838
P420
Atom C of residue 36
P3111
P5790
P2409
P2674
P2406
Atom C of residue 29
P4797
P2197
P2376
P5406
P2923
P4914
P7033
P7526
Atom H of residue 46
P5519
P4
P6959
P11662
P7034
P7126
P6077
P5052
P6039
P8473
Atom C of residue 48
Atom NH1 of residue 74
P2409
Atom HB3 of residue 56
P1629
P7998
P1842
P1946
ListSingletonContainer215
P10949
P3937
Atom CD of residue 48
P2598
P6915
P5253
P7245
Model 147
P1569
P2052
P2886
P1523
P3429
P10238
P2895
P4674
P2555
Atom HG21 of residue 36
P3
P6013
P1308
Restraint 163
P5586
P3358
P16
P7222
P8437
P3597
P4615
P6206
P1355
P8509
P5110
P6077
P2901
P4095
P1754
P1910
P1601
P2491
P7681
Atom HD1 of residue 68
P7155
P8011
P2348
P6002
P9593
P3401
P6575
P1748
Atom HG1 of residue 66
P7287
Atom CD of residue 42
P7868
P7672
Atom HB2 of residue 16
P8415
P2164
P5539
P1575
Atom CB of residue 23
P6783
P2202
Atom C of residue 85
P3056
P3562
P8662
Atom HE2 of residue 1
P2782
P3407
P2516
P7839
Atom CD2 of residue 129
P4085
P2410
P2367
P8383
Atom C of residue 63
Atom NH2 of residue 74
P1436
P3391
PairPredicate 4
P2198
P2962
P3468
P1311
P6411
P107
P6917
P5791
P7429
P7061
P2961
Atom HA of residue 46
P1436
P3467
P1356
P2377
scons: *** Error 1
isd module unit tests FAILED
Running isd module unit tests
scons: *** [modules/isd/test/fast-test.results] Error 1
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/example/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/example/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/example/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/example/examples/range_restriction.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/example/examples/fast-test.results.out) > /dev/null
Run example range_restriction.py ... ok

----------------------------------------------------------------------
Ran 1 test in 0.637s

OK
example examples succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/example/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/example/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.example --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/example/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/example/test/test_assembly.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/example/test/test_filter.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/example/test/test_modifier.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_example_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/example/test/fast-test.results.out) > /dev/null
Test getting complex assembly ... in 4.640s ... ok
Test example filter ... ok
Test example modifier ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 7 tests in 5.671s

OK
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
PairsRestraint 0
ClosePairContainer
Model 0
NBLInput Container 0
P0
P0 P1
P1
GridCPF
DynamicNearestNeighbor3D0
SoftSpherePairScore 0
HarmonicDistancePairScore 0
MovedSingletonContainer1
example module unit tests succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/kmeans/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/kmeans/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/kmeans/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/kmeans/examples/kmeans_example.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/kmeans/examples/fast-test.results.out) > /dev/null
Run example kmeans_example.py ... ERROR

======================================================================
ERROR: Run example kmeans_example.py
----------------------------------------------------------------------
Traceback (most recent call last):
  File "", line 5, in test_run_example
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/test/__init__.py", line 499, in run_example
    exec open(filename) in vars
  File "/scratch/nightly-build-3697/imp-SVN.r14111/modules/kmeans/examples/kmeans_example.py", line 2, in 
    from IMP.kmeans import KMeans
ImportError: No module named kmeans

----------------------------------------------------------------------
Ran 1 test in 0.002s

FAILED (errors=1)
scons: *** Error 1
kmeans examples FAILED
Running kmeans examples
scons: *** [modules/kmeans/examples/fast-test.results] Error 1
modules/kmeans/src/internal/KCtree.cpp:413: warning: unused parameter 'bnd_box'
modules/kmeans/src/internal/KCtree.cpp:824: warning: unused parameter 'p'
modules/kmeans/src/internal/KMdata.cpp:47: warning: unused parameter 'p'
modules/kmeans/src/internal/KMdata.cpp:54: warning: unused parameter 'p'
modules/kmeans/src/internal/KMfilterCenters.cpp:244: warning: unused parameter 'fancy'
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/kmeans/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/kmeans/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.kmeans --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/kmeans/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/kmeans/test/test_kmeans.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_kmeans_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/kmeans/test/fast-test.results.out) > /dev/null
test_simple_kmeans (_test_1.KMeansTest) ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... FAIL
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

======================================================================
FAIL: Test that module function names follow the standards
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_kmeans_standards.py", line 22, in test_functions
    spelling_exceptions)
  File "/scratch/nightly-build-3697/imp-SVN.r14111/build/lib/IMP/test/__init__.py", line 453, in assertFunctionNames
    message)
AssertionError: 2 != 0 : All IMP methods should have lower case names separated by underscores and beginning with a verb, preferably one of ['add', 'remove', 'get', 'set', 'create', 'destroy']. Each of the words should be a properly spelled english word. The following do not (given our limited list of verbs that we check for):
KMeans.execute
KMeans.print_centers
If there is a good reason for them not to (eg it does start with a verb, just one with a meaning that is not covered by the normal list), add them to the function_name_exceptions variable in the IMPModuleTest call. Otherwise, please fix. The current verb list is ['add', 'remove', 'get', 'set', 'evaluate', 'show', 'create', 'destroy', 'push', 'pop', 'write', 'read', 'do', 'show', 'load', 'save', 'reset', 'clear', 'handle', 'update', 'apply', 'optimize', 'reserve', 'dump', 'propose', 'setup', 'teardown', 'visit', 'find', 'run', 'swap', 'link']

----------------------------------------------------------------------
Ran 5 tests in 0.772s

FAILED (failures=1)
scons: *** Error 1
kmeans module unit tests FAILED
Running kmeans module unit tests
scons: *** [modules/kmeans/test/fast-test.results] Error 1
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/parallel/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/parallel/examples/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-examples.py --excluded= --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/parallel/examples/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/parallel/examples/local_distance.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/parallel/examples/tasks.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/parallel/examples/fast-test.results.out) > /dev/null
Run example local_distance.py ... ok
Run example tasks.py ... ok

----------------------------------------------------------------------
Ran 2 tests in 0.466s

OK
parallel examples succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/parallel/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/parallel/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.parallel --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/parallel/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/modules/parallel/test/test_sge.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/parallel/test/test_startup.py /scratch/nightly-build-3697/imp-SVN.r14111/modules/parallel/test/test_tasks.py /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_parallel_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/parallel/test/fast-test.results.out) > /dev/null
Test _SGEPESlave class ... ok
Test SGEPESlaveArray class ... ok
Test that slave tasks can start up and communicate ... ok
Test context startup callable ... ok
Make sure that startup failures cause a timeout ... ok
Test that startup with no slaves causes a failure ... ok
Check that NaN and Inf floats are pickled correctly ... ok
Test that exceptions can be passed to and from tasks ... ok
Test that exceptions raised by a task are propagated ... ok
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 13 tests in 2.074s

OK
parallel module unit tests succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/pepdock/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/pepdock/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.pepdock --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/pepdock/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_pepdock_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/pepdock/test/fast-test.results.out) > /dev/null
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 4 tests in 0.013s

OK
pepdock module unit tests succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/modules/scratch/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp modules/scratch/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --module=IMP.scratch --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/modules/scratch/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/test/test_scratch_standards.py >/scratch/nightly-build-3697/imp-SVN.r14111/modules/scratch/test/fast-test.results.out) > /dev/null
Test that module class names follow the standards ... ok
Test that module function names follow the standards ... ok
Test all objects have show ... ok
Test that module classes are either values or objects ... ok

----------------------------------------------------------------------
Ran 4 tests in 0.013s

OK
scratch module unit tests succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/applications/EModel2D/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp applications/EModel2D/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --application=EModel2D --pycoverage=no --pyexe=em2d_domino_model.py --pyexe=em2d_cluster_solutions.py --pyexe=em2d_score_updated.py --pyexe=em2d_docking.py --pyexe=convert_spider_to_jpg.py --results=/scratch/nightly-build-3697/imp-SVN.r14111/applications/EModel2D/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/applications/EModel2D/test/test_argminmax.py /scratch/nightly-build-3697/imp-SVN.r14111/applications/EModel2D/test/test_buildxlinks.py /scratch/nightly-build-3697/imp-SVN.r14111/applications/EModel2D/test/test_cluster_solutions.py /scratch/nightly-build-3697/imp-SVN.r14111/applications/EModel2D/test/test_csv_related.py /scratch/nightly-build-3697/imp-SVN.r14111/applications/EModel2D/test/test_database.py /scratch/nightly-build-3697/imp-SVN.r14111/applications/EModel2D/test/test_dock_related.py /scratch/nightly-build-3697/imp-SVN.r14111/applications/EModel2D/test/test_domino_modeling.py /scratch/nightly-build-3697/imp-SVN.r14111/applications/EModel2D/test/test_mc_modeling.py /scratch/nightly-build-3697/imp-SVN.r14111/applications/EModel2D/test/test_sampling.py >/scratch/nightly-build-3697/imp-SVN.r14111/applications/EModel2D/test/fast-test.results.out) > /dev/null
EModel2D application unit tests succeeded
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/applications/foxs/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp applications/foxs/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --application=foxs --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/applications/foxs/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/applications/foxs/test/test_saxs.py >/scratch/nightly-build-3697/imp-SVN.r14111/applications/foxs/test/fast-test.results.out) > /dev/null
Simple test of SAXS profile application ... foxs /scratch/nightly-build-3697/imp-SVN.r14111/applications/foxs/test/input/6lyz.pdb /scratch/nightly-build-3697/imp-SVN.r14111/applications/foxs/test/input/lyzexp.dat 
Computing profile for /scratch/nightly-build-3697/imp-SVN.r14111/applications/foxs/test/input/6lyz.pdb
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
Atom CD1 of residue 75
Atom OE1 of residue 41
Atom N of residue 7
Atom OD1 of residue 65
Atom CG1 of residue 58
Atom CG2 of residue 69
Atom CE1 of residue 23
Atom CG2 of residue 89
Atom N of residue 114
Atom N of residue 12
SER
Atom CD2 of residue 3
Atom NH1 of residue 112
Atom CB of residue 122
Atom O of residue 82
Atom CB of residue 37
Atom O of residue 11
Atom CD of residue 61
Atom OD1 of residue 103
Atom OG of residue 85
Atom CE2 of residue 123
Atom O of residue 62
Atom CA of residue 109
Atom CE of residue 13
Atom NE of residue 21
ALA
Atom O of residue 72
Atom O of residue 88
Atom O of residue 10
Atom O of residue 68
Atom OG of residue 50
Atom CB of residue 112
Atom C of residue 90
Atom O of residue 48
Atom O of residue 63
Atom CA of residue 13
Atom CA of residue 27
Atom OG of residue 81
Atom OD1 of residue 19
Atom N of residue 49
Atom ND2 of residue 77
Atom CA of residue 21
Atom CA of residue 72
ASN
Atom CB of residue 93
Atom CD of residue 79
SER
Atom O of residue 78
Atom N of residue 101
Atom CD of residue 7
Atom CG of residue 57
Atom N of residue 3
Atom N of residue 40
Atom O of residue 111
Atom O of residue 65
Atom NE1 of residue 63
Atom C of residue 56
Atom O of residue 105
Atom C of residue 117
Atom O of residue 34
Atom CD2 of residue 75
Atom O of residue 96
Atom N of residue 106
Atom CE of residue 12
ALA
Atom CB of residue 110
Atom CB of residue 64
Atom CB of residue 2
Atom CD2 of residue 56
Atom CA of residue 71
Atom CH2 of residue 123
ASN
Atom NE1 of residue 62
Atom CA of residue 103
Atom CA of residue 29
Atom CG1 of residue 120
Atom OG of residue 36
Atom CA of residue 30
Atom C of residue 41
Atom O of residue 99
Atom CA of residue 107
Atom OD2 of residue 66
Atom N of residue 34
Atom CB of residue 95
Atom C of residue 87
Atom O of residue 46
Atom CA of residue 14
Atom CA of residue 57
Atom O of residue 115
Atom OD1 of residue 52
ILE
Atom CA of residue 47
MET
Atom CD1 of residue 129
Atom CE2 of residue 20
Atom N of residue 15
Atom CE of residue 116
Atom CB of residue 84
Atom NE of residue 128
Atom CG2 of residue 124
VAL
Atom N of residue 127
Atom CG of residue 18
Atom OG1 of residue 40
Atom CA of residue 39
Atom CD1 of residue 98
Atom O of residue 19
Atom N of residue 95
Atom CA of residue 128
Atom CD of residue 5
Atom N of residue 37
Atom NH2 of residue 114
Atom NZ of residue 97
Atom CB of residue 89
GLY
GLU
Atom N of residue 112
Atom CD1 of residue 108
Atom ND2 of residue 19
Atom CA of residue 26
SER
Atom CB of residue 63
Atom C of residue 13
Atom C of residue 77
Atom N of residue 93
Atom CE1 of residue 53
Atom C of residue 91
Atom N of residue 25
ASP
Atom O of residue 28
Atom N of residue 122
Atom CB of residue 86
Atom N of residue 89
Atom NH2 of residue 45
Atom CG of residue 8
Atom CA of residue 52
Atom CZ of residue 3
VAL
Atom N of residue 110
Atom CB of residue 10
Atom C of residue 60
Atom CB of residue 70
Atom CZ2 of residue 108
Atom CE1 of residue 15
Atom N of residue 84
Atom CG of residue 114
Atom CB of residue 79
Atom CB of residue 119
Atom CA of residue 102
Atom ND2 of residue 27
Atom CA of residue 60
Atom O of residue 113
Atom CE1 of residue 38
Atom O of residue 20
Atom CB of residue 29
Atom CA of residue 94
Atom N of residue 86
Atom N of residue 62
Atom CG of residue 33
Atom O of residue 97
Atom CB of residue 34
Atom N of residue 70
Atom C of residue 14
Atom CB of residue 76
Atom CA of residue 24
Atom CD1 of residue 3
Atom NH2 of residue 112
SER
Atom C of residue 98
Atom N of residue 129
Atom CG2 of residue 47
Atom ND2 of residue 103
Atom CB of residue 127
Atom CA of residue 22
Atom CB of residue 51
Atom C of residue 128
Atom NH2 of residue 5
Atom NE of residue 73
Atom CH2 of residue 63
Atom ND1 of residue 15
Atom C of residue 22
GLY
Atom C of residue 116
Atom CG of residue 106
Atom N of residue 79
Atom NE of residue 5
Atom N of residue 119
Atom O of residue 90
Atom CG of residue 125
Atom CB of residue 13
Atom CG2 of residue 55
Atom O of residue 104
Atom CB of residue 17
Atom N of residue 13
Atom O of residue 38
GLY
Atom NZ of residue 13
Atom ND2 of residue 44
Atom CG of residue 93
Atom CA of residue 85
Atom CD1 of residue 123
Atom CB of residue 11
Atom OE1 of residue 7
Atom CG2 of residue 120
Atom NZ of residue 96
Atom NH1 of residue 68
SER
THR
Atom CB of residue 111
Atom CA of residue 73
Atom NH2 of residue 125
Atom C of residue 69
ARG
Atom CA of residue 100
Atom O of residue 117
Atom CA of residue 7
Atom N of residue 76
Atom CB of residue 46
ASN
Atom CE2 of residue 23
Atom O of residue 83
Atom CA of residue 38
Atom N of residue 65
Atom OE1 of residue 57
Atom C of residue 27
Atom CZ of residue 20
ALA
Atom C of residue 21
Atom CE2 of residue 111
Atom CA of residue 108
Atom N of residue 80
Atom OD1 of residue 18
Atom NE of residue 61
ARG
Atom CE2 of residue 34
Atom CB of residue 99
Atom N of residue 67
Atom N of residue 46
Atom CZ of residue 21
Atom CA of residue 32
Atom ND2 of residue 65
Atom CG2 of residue 58
Atom CB of residue 82
Atom CG of residue 37
Atom O of residue 14
Atom CB of residue 115
Atom OD2 of residue 52
PHE
Atom CA of residue 55
Atom CG of residue 112
Atom CB of residue 48
Atom CD of residue 45
Atom CE2 of residue 62
Atom CG of residue 84
Atom C of residue 121
Atom CG1 of residue 124
Atom CA of residue 120
Atom C of residue 103
Atom CG of residue 25
Atom CB of residue 68
Atom C of residue 43
Atom CG of residue 23
Atom O of residue 53
Atom CG of residue 101
Atom CA of residue 122
Atom CB of residue 128
ASN
Atom CB of residue 105
Atom CZ of residue 128
TRP
CYS
Atom C of residue 92
Atom CB of residue 59
Atom C of residue 57
Atom CE2 of residue 3
Atom O of residue 60
Atom N of residue 111
Atom C of residue 47
Atom CB of residue 19
Atom C of residue 30
Atom C of residue 65
Atom O of residue 16
ASN
LEU
Atom CA of residue 59
Atom C of residue 109
Atom CA of residue 19
Atom CE2 of residue 38
Atom CB of residue 28
Atom OE2 of residue 7
ARG
Atom C of residue 39
Atom N of residue 51
ASN
Atom C of residue 73
Atom N of residue 82
Atom CE2 of residue 63
Atom N of residue 123
ASP
Atom CA of residue 6
Atom N of residue 33
Atom CA of residue 45
Atom N of residue 20
Atom NE of residue 14
Atom CE2 of residue 28
Atom CA of residue 12
Atom C of residue 75
Atom CZ3 of residue 108
Atom CG of residue 63
LEU
HIS
Atom C of residue 58
Atom N of residue 124
Atom CG of residue 79
Atom CG of residue 119
Atom N of residue 68
Atom CB of residue 113
CYS
Atom O of residue 42
Atom CG1 of residue 29
Atom CD of residue 35
Atom N of residue 63
Atom N of residue 99
Atom CE3 of residue 123
Atom C of residue 67
Atom CG of residue 129
Atom N of residue 115
Atom C of residue 52
Atom N of residue 98
Atom CA of residue 54
Atom CB of residue 78
Atom N of residue 2
Atom OD1 of residue 106
Atom O of residue 13
Atom C of residue 107
Atom CB of residue 38
Atom O of residue 56
Atom CA of residue 18
Atom N of residue 45
Atom CA of residue 50
Atom CB of residue 96
Atom N of residue 48
Atom CA of residue 81
Atom CB of residue 97
PHE
Atom CA of residue 37
Atom CZ of residue 73
LEU
Atom OD1 of residue 74
Atom O of residue 116
PRO
Atom CZ of residue 5
ASP
Atom C of residue 24
Atom CD1 of residue 55
Atom N of residue 105
Atom NZ of residue 116
Atom NE2 of residue 41
Atom O of residue 21
Atom N of residue 28
Atom CB of residue 88
Atom CD2 of residue 108
Atom C of residue 26
Atom N of residue 97
Atom O of residue 43
TRP
Atom CD of residue 33
Atom CA of residue 36
Atom NH2 of residue 68
Atom O of residue 73
Atom O of residue 69
Atom N of residue 4
Atom OD1 of residue 37
Atom OE1 of residue 121
Atom CB of residue 14
Atom CD of residue 57
Atom CA of residue 125
Atom CB of residue 83
Atom CA of residue 5
Atom C of residue 6
Atom N of residue 113
Atom CE3 of residue 111
Atom CD1 of residue 25
ARG
Atom N of residue 104
Atom N of residue 58
Atom OD1 of residue 101
Atom CD of residue 114
Atom O of residue 128
GLY
Atom C of residue 102
Atom O of residue 91
Atom N of residue 78
Atom C of residue 100
Atom CA of residue 74
Atom N of residue 83
Atom C of residue 38
Atom CA of residue 16
Atom O of residue 30
Atom O of residue 41
Atom O of residue 6
Atom CA of residue 49
Atom N of residue 96
ASP
Atom O of residue 87
ALA
Atom CB of residue 42
Atom CE of residue 1
Atom CG of residue 68
Atom CB of residue 53
Atom CB of residue 90
Atom CB of residue 5
Atom CG of residue 111
Atom C of residue 71
Atom C of residue 29
Atom N of residue 118
Atom O of residue 92
Atom CG of residue 59
Atom CG of residue 46
Atom CA of residue 106
Atom C of residue 55
Atom CD of residue 125
Atom CE3 of residue 63
Atom OH of residue 20
Atom CE2 of residue 53
Atom O of residue 109
Atom CA of residue 61
Atom CG of residue 34
Atom CZ of residue 61
Atom O of residue 22
Atom O of residue 80
Atom CA of residue 114
Atom O of residue 39
THR
Atom SG of residue 64
Atom N of residue 11
ILE
Atom CD1 of residue 23
Atom C of residue 36
Atom O of residue 77
Atom CG1 of residue 99
Atom CA of residue 31
Atom C of residue 44
ALA
Atom N of residue 126
ASN
Atom C of residue 7
Atom O of residue 98
Atom CB of residue 20
Atom SG of residue 115
Atom N of residue 53
Atom CG2 of residue 40
Atom CE3 of residue 28
Atom C of residue 5
ALA
Atom CB of residue 15
Atom NE of residue 45
Atom CA of residue 121
Atom OG1 of residue 51
Atom OG of residue 86
Atom C of residue 19
Atom NH1 of residue 21
Atom C of residue 108
ARG
Atom CG of residue 123
Atom OE1 of residue 35
Atom CB of residue 60
Atom CG of residue 70
Atom CG of residue 17
Atom CA of residue 124
CYS
Atom CG1 of residue 78
Atom OD2 of residue 18
Atom ND2 of residue 74
Atom CA of residue 63
Atom C of residue 45
Atom CD2 of residue 129
Atom O of residue 107
THR
Atom CA of residue 25
Atom CB of residue 56
Atom N of residue 42
Atom O of residue 4
Atom CZ of residue 38
Atom CG of residue 96
Atom CG of residue 28
Atom CZ of residue 23
Atom CG2 of residue 29
Atom SG of residue 76
Atom CD of residue 112
Atom C of residue 122
Atom O of residue 27
Atom NH1 of residue 73
Atom O of residue 12
Atom CA of residue 34
CYS
Atom CA of residue 40
6lyz.pdb
Atom C of residue 94
Atom CE1 of residue 3
SER
Atom CZ of residue 14
Atom O of residue 75
Atom CH2 of residue 108
Atom CB of residue 41
Atom N of residue 117
Atom CG of residue 62
Atom N of residue 14
Atom C of residue 61
Atom CB of residue 87
Atom N of residue 90
Atom CE3 of residue 62
Atom CG of residue 113
Atom C of residue 50
Atom CA of residue 127
PRO
Atom CG1 of residue 88
Atom O of residue 9
Atom O of residue 26
TRP
Atom CA of residue 3
Atom C of residue 81
Atom CG of residue 48
Atom O of residue 71
Atom C of residue 31
Atom N of residue 66
TRP
ILE
Atom O of residue 103
Atom CG of residue 38
LYS
Atom CG of residue 105
ARG
CYS
Atom N of residue 23
Atom CA of residue 112
ASP
TYR
Atom N of residue 47
Atom C of residue 12
Atom CA of residue 62
Atom NE of residue 114
Atom CB of residue 77
Atom CB of residue 3
Atom CA of residue 67
Atom O of residue 102
Atom CB of residue 91
Atom O of residue 100
Atom OD1 of residue 93
Atom C of residue 15
Atom C of residue 85
Atom CA of residue 101
Atom N of residue 121
Atom O of residue 118
Atom CB of residue 116
Atom OXT of residue 129
Atom N of residue 56
MET
Atom OD1 of residue 39
Atom CB of residue 6
Atom N of residue 9
Atom C of residue 54
Atom CA of residue 110
Atom C of residue 129
LYS
Atom SG of residue 127
Atom CB of residue 43
Atom ND2 of residue 106
Atom N of residue 91
Atom CE of residue 33
Atom CA of residue 15
Atom CA of residue 88
Atom C of residue 18
Atom NH1 of residue 128
Atom C of residue 74
Atom CG of residue 14
Atom N of residue 41
VAL
Atom C of residue 16
Atom CG2 of residue 51
Atom N of residue 87
Atom CZ of residue 53
Atom CA of residue 11
CYS
Atom O of residue 61
Atom O of residue 52
Atom CZ2 of residue 111
Atom CD2 of residue 25
ALA
Atom CD of residue 70
Atom CB of residue 30
Atom CD1 of residue 17
Atom O of residue 31
Atom CA of residue 93
Atom CD1 of residue 84
Atom C of residue 32
Atom C of residue 120
Atom CB of residue 98
Atom CG of residue 20
Atom CA of residue 2
Atom N of residue 60
Atom C of residue 125
Atom O of residue 94
ASN
Atom CZ2 of residue 28
Atom CA of residue 95
Atom CA of residue 89
GLY
Atom NH2 of residue 21
Atom O of residue 108
Atom O of residue 7
Atom N of residue 43
Atom CB of residue 80
Atom NE1 of residue 108
Atom C of residue 114
Atom N of residue 77
ALA
Atom CG of residue 53
Atom CG of residue 12
Atom O of residue 24
Atom CG of residue 3
TRP
Atom CB of residue 21
Atom OG1 of residue 118
Atom CA of residue 86
Atom OD2 of residue 101
Atom CB of residue 121
Atom CD1 of residue 58
Atom CB of residue 109
Atom CB of residue 69
Atom OD1 of residue 46
Atom CA of residue 66
Atom O of residue 129
Atom OH of residue 23
Atom CA of residue 23
Atom CA of residue 8
Atom CA of residue 51
Atom CB of residue 92
Atom NE of residue 112
Atom OD1 of residue 48
Atom CA of residue 84
Atom CB of residue 27
Atom N of residue 21
Atom NH2 of residue 73
CYS
Atom OD1 of residue 119
ASN
Atom C of residue 49
Atom CA of residue 4
Atom O of residue 85
Atom O of residue 57
Atom CD2 of residue 123
Chain A
Atom CB of residue 39
Atom O of residue 5
Atom N of residue 10
Atom CD1 of residue 111
Atom CG of residue 97
Atom CA of residue 123
Atom SD of residue 105
ALA
Atom CD1 of residue 34
Atom CA of residue 70
Atom C of residue 106
Atom CA of residue 44
Atom CA of residue 111
Atom NE of residue 125
Atom CB of residue 65
Atom O of residue 67
Atom CD1 of residue 62
Atom CB of residue 118
Atom O of residue 32
Atom O of residue 47
Atom ND2 of residue 93
Atom C of residue 40
ARG
Atom CB of residue 103
Atom N of residue 75
Atom CA of residue 65
Atom CD of residue 1
Atom CD of residue 13
Atom CG2 of residue 99
GLY
Atom CB of residue 107
ALA
Atom CG of residue 56
THR
Atom CA of residue 76
Atom C of residue 64
Atom N of residue 116
Atom CG2 of residue 88
Atom O of residue 55
Atom CG of residue 83
GLY
Atom CD2 of residue 20
Atom NE2 of residue 57
Atom CA of residue 79
Atom CA of residue 119
Atom CH2 of residue 28
Atom CB of residue 44
Atom N of residue 8
Atom O of residue 120
Atom N of residue 39
GLN
LYS
Atom CB of residue 1
Atom NH1 of residue 14
Atom N of residue 69
Atom CG of residue 41
Atom C of residue 66
Atom C of residue 124
GLY
Atom CB of residue 73
Atom C of residue 11
Atom CA of residue 46
Atom CD2 of residue 8
Atom CB of residue 61
Atom CG of residue 87
Atom O of residue 54
Atom NZ of residue 1
Atom C of residue 112
Atom CB of residue 9
GLU
Atom N of residue 27
THR
Atom CG of residue 5
Atom CD1 of residue 63
Atom N of residue 72
Atom CB of residue 31
Atom C of residue 34
Atom C of residue 25
Atom CD2 of residue 84
Atom CA of residue 78
Atom O of residue 18
Atom O of residue 74
Atom CD1 of residue 28
Atom N of residue 19
Atom C of residue 101
Atom CA of residue 99
Atom CZ2 of residue 123
Atom ND2 of residue 39
Atom CD of residue 97
Atom O of residue 58
Atom CA of residue 96
Atom C of residue 123
Atom CA of residue 115
Atom CB of residue 52
Atom CZ2 of residue 62
TYR
LEU
Atom OD1 of residue 59
Atom ND2 of residue 37
Atom C of residue 110
Atom CZ of residue 114
Atom CG of residue 77
Atom CD of residue 128
Atom CA of residue 80
Atom N of residue 103
Atom CD1 of residue 38
Atom CB of residue 100
Atom C of residue 35
Atom OD1 of residue 113
Atom O of residue 15
TYR
Atom CD of residue 68
Atom CA of residue 17
ALA
Atom CG of residue 121
Atom O of residue 29
LYS
Atom CA of residue 33
Atom CE2 of residue 108
Atom C of residue 4
Atom NZ of residue 33
Atom CB of residue 24
Atom N of residue 109
Atom CZ of residue 45
Atom C of residue 93
Atom OD2 of residue 119
Atom CZ3 of residue 63
Atom CA of residue 28
Atom CG of residue 21
Atom O of residue 50
Atom CD1 of residue 20
Atom CG2 of residue 118
GLN
Atom C of residue 62
Atom C of residue 95
Atom C of residue 88
ASP
Atom O of residue 124
Atom C of residue 89
Atom OH of residue 53
Atom CA of residue 82
Atom C of residue 37
Atom OG1 of residue 69
ARG
Atom ND2 of residue 46
Atom CG2 of residue 78
Atom O of residue 1
Atom O of residue 45
Atom N of residue 71
Atom CG1 of residue 92
Atom CZ3 of residue 28
Atom SD of residue 12
Atom CB of residue 75
Atom CB of residue 8
Atom CD2 of residue 17
ARG
Atom CA of residue 113
Atom O of residue 49
Atom CA of residue 68
Atom CG1 of residue 98
Atom CD of residue 96
Atom CA of residue 48
Atom CB of residue 94
Atom OE2 of residue 35
Atom CG of residue 39
Atom C of residue 86
Atom CB of residue 72
Atom CG1 of residue 2
Atom CD2 of residue 111
Atom O of residue 44
Atom CG of residue 73
Atom CB of residue 123
Atom CB of residue 108
Atom ND2 of residue 59
Atom NE1 of residue 123
Atom O of residue 106
Atom C of residue 9
Atom C of residue 23
Atom CD1 of residue 83
ASN
Atom CG of residue 116
Atom N of residue 107
Atom O of residue 66
LEU
Atom C of residue 84
Atom CA of residue 105
Atom N of residue 52
Atom N of residue 29
Atom CB of residue 47
Atom CD1 of residue 124
Atom O of residue 40
Atom O of residue 35
VAL
Atom N of residue 128
Atom OG1 of residue 43
Atom O of residue 81
Atom CZ of residue 125
THR
Atom N of residue 100
Atom CG of residue 65
Atom CB of residue 58
Atom CA of residue 118
Atom N of residue 38
Atom C of residue 70
LYS
Atom NH1 of residue 61
Atom N of residue 24
Atom C of residue 33
Atom CB of residue 55
Atom CA of residue 104
Atom CE1 of residue 20
Atom N of residue 35
Atom C of residue 111
Atom CZ of residue 112
Atom CG of residue 27
Atom OD2 of residue 87
Atom NH2 of residue 128
Atom CZ3 of residue 111
Atom CG of residue 44
LEU
Atom N of residue 26
ASN
Atom CD2 of residue 34
THR
Atom CB of residue 85
Atom C of residue 8
Atom CA of residue 97
Atom CD1 of residue 53
Atom OG of residue 91
Atom O of residue 3
Atom CA of residue 83
Atom C of residue 76
Atom C of residue 127
Atom C of residue 3
Atom C of residue 79
Atom C of residue 119
Atom O of residue 25
Atom N of residue 94
Atom CG of residue 103
ASN
Atom SG of residue 80
Atom CD2 of residue 28
Atom O of residue 101
Atom NE of residue 68
Atom O of residue 114
Atom OG of residue 72
Atom N of residue 102
Atom OD2 of residue 48
Atom CD2 of residue 63
Atom OG of residue 60
Atom C of residue 2
Atom C of residue 46
Atom CA of residue 20
Atom CG of residue 7
Atom CA of residue 92
LEU
Atom CB of residue 45
Atom N of residue 17
Atom SG of residue 30
Atom CZ3 of residue 123
Atom CB of residue 66
Model 0
Atom CD2 of residue 38
Atom CG1 of residue 109
Atom CA of residue 42
Atom CZ2 of residue 63
Atom CE of residue 105
Atom CZ3 of residue 62
Atom N of residue 5
Atom CB of residue 120
Atom ND2 of residue 113
Atom O of residue 23
Atom CA of residue 53
Atom NE2 of residue 121
Atom C of residue 99
Atom CG2 of residue 43
SER
Atom CB of residue 124
Atom O of residue 37
Atom CA of residue 126
Atom C of residue 115
Atom CG of residue 61
Atom N of residue 55
Atom CB of residue 57
Atom NE2 of residue 15
Atom O of residue 33
Atom C of residue 51
Atom CG of residue 75
VAL
Atom NH1 of residue 45
Atom N of residue 32
Atom O of residue 93
Atom C of residue 80
Atom CD1 of residue 56
Atom CA of residue 9
Atom N of residue 85
Atom CB of residue 18
Atom OG1 of residue 89
Atom CB of residue 35
Atom CB of residue 50
Atom O of residue 125
Atom O of residue 8
Atom C of residue 17
Atom CB of residue 62
Atom CB of residue 81
Atom O of residue 36
Atom CG of residue 13
Atom CE of residue 97
Atom CD2 of residue 62
Atom C of residue 59
ILE
Atom O of residue 123
Atom CG of residue 52
Atom CB of residue 74
Atom O of residue 127
Atom O of residue 64
Atom CD1 of residue 78
Atom CD of residue 116
Atom CD of residue 41
Atom O of residue 122
Atom SG of residue 6
Atom N of residue 108
Atom N of residue 22
Atom C of residue 28
Atom CA of residue 129
Atom OD1 of residue 87
Atom CD2 of residue 23
Atom CE of residue 96
Atom CA of residue 90
Atom N of residue 36
Atom N of residue 73
Atom C of residue 82
Atom N of residue 88
GLN
Atom N of residue 30
Atom CE3 of residue 108
Atom NH2 of residue 14
ALA
Atom CG2 of residue 92
Atom CG of residue 66
Atom CA of residue 35
Atom OG of residue 24
Atom CA of residue 56
Atom O of residue 84
Atom CA of residue 117
Atom N of residue 120
Atom C of residue 113
Atom C of residue 68
Atom CD of residue 14
Atom O of residue 121
Atom O of residue 112
Atom C of residue 48
Atom C of residue 63
Atom CG2 of residue 2
Atom CA of residue 1
ASN
Atom O of residue 2
Atom CG of residue 19
Atom OD1 of residue 77
Atom N of residue 74
SER
Atom CA of residue 10
Atom N of residue 92
Atom CG of residue 15
Atom C of residue 126
Atom C of residue 1
Atom C of residue 78
Atom N of residue 125
Atom CG of residue 1
Atom CA of residue 41
Atom NH1 of residue 125
Atom O of residue 95
Atom C of residue 105
Atom CD of residue 21
Atom CG of residue 128
VAL
Atom CA of residue 87
Atom C of residue 72
Atom N of residue 50
Atom C of residue 96
Atom N of residue 64
Atom CH2 of residue 111
Atom CB of residue 32
Atom N of residue 6
GLY
Atom O of residue 110
Atom CA of residue 43
Atom N of residue 81
GLY
Atom CD2 of residue 53
Atom NE1 of residue 111
Atom OD1 of residue 44
Atom CD of residue 73
Atom CB of residue 12
ASN
Atom OG of residue 100
Atom C of residue 118
Atom CB of residue 7
SER
Atom N of residue 16
Atom CB of residue 106
Atom CD2 of residue 83
Atom C of residue 104
ILE
Atom O of residue 79
Atom O of residue 119
Atom CG2 of residue 109
Atom OG1 of residue 47
Atom CB of residue 23
Atom CB of residue 129
Atom CB of residue 114
Atom CA of residue 77
Atom C of residue 97
GLY
Atom CA of residue 91
Atom N of residue 59
Atom CA of residue 69
SER
Atom C of residue 83
Atom CB of residue 40
PHE
Atom CG2 of residue 98
Atom CA of residue 116
Atom CA of residue 75
Atom CB of residue 33
Atom CG1 of residue 55
Atom CD of residue 121
Atom OD1 of residue 66
Atom NH1 of residue 114
Atom O of residue 89
Atom N of residue 54
Atom CZ of residue 34
ILE
Atom O of residue 70
ARG
Atom N of residue 44
LYS
Atom N of residue 18
Atom N of residue 1
Atom O of residue 126
Atom CH2 of residue 62
Atom SG of residue 94
Atom O of residue 51
Atom O of residue 86
Atom CD1 of residue 88
Atom CD1 of residue 8
ASP
Atom N of residue 61
TRP
Atom CB of residue 25
Atom C of residue 42
Atom CA of residue 64
Atom N of residue 57
GLY
Atom CG of residue 108
Atom C of residue 10
Atom CG of residue 35
Atom CE1 of residue 34
Atom O of residue 76
Atom C of residue 53
Atom NE1 of residue 28
Atom CB of residue 101
Atom CD2 of residue 15
Atom CZ of residue 68
Atom O of residue 17
Atom N of residue 31
ARG
Atom NH1 of residue 5
Atom OD1 of residue 27
Atom O of residue 59
Atom CA of residue 98
Atom C of residue 20
Atom CG of residue 74
CYS
Atom CB of residue 36
Atom NH2 of residue 61
Atom CB of residue 125
Atom CG of residue 45
Atom CA of residue 58
LEU
in 1.209s ... ok

----------------------------------------------------------------------
Ran 1 test in 1.210s

OK
foxs application unit tests succeeded
build/include/IMP/Key.h: In function 'void get_residue_solvent_accessibility(const IMP::Particles&, const IMP::Particles&, const std::vector >&, std::vector >&)':
build/include/IMP/Key.h:120: warning: dereferencing pointer '' does break strict-aliasing rules
/usr/lib/gcc/x86_64-redhat-linux/4.4.6/../../../../include/c++/4.4.6/bits/stl_tree.h:175: note: initialized from here
tempfile /scratch/nightly-build-3697/imp-SVN.r14111/applications/integrative_docking/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp applications/integrative_docking/test/fast-test.results.result
mkdir -p /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; cd /scratch/nightly-build-3697/imp-SVN.r14111/build/tmp; (/scratch/nightly-build-3697/imp-SVN.r14111/tools/imppy.sh python /scratch/nightly-build-3697/imp-SVN.r14111/scons_tools/run-all-tests.py --application=integrative_docking --pycoverage=no --results=/scratch/nightly-build-3697/imp-SVN.r14111/applications/integrative_docking/test/fast-test.results /scratch/nightly-build-3697/imp-SVN.r14111/applications/integrative_docking/test/test_em2d_dock.py /scratch/nightly-build-3697/imp-SVN.r14111/applications/integrative_docking/test/test_em3d_dock.py /scratch/nightly-build-3697/imp-SVN.r14111/applications/integrative_docking/test/test_foxsdock.py /scratch/nightly-build-3697/imp-SVN.r14111/applications/integrative_docking/test/test_nmr_rtc.py >/scratch/nightly-build-3697/imp-SVN.r14111/applications/integrative_docking/test/fast-test.results.out) > /dev/null
Simple test of EM2D single PDB score application ... em2d_single_score /scratch/nightly-build-3697/imp-SVN.r14111/applications/integrative_docking/test/input/complex-2d.pdb /scratch/nightly-build-3697/imp-SVN.r14111/applications/integrative_docking/test/input/image_1.pgm /scratch/nightly-build-3697/imp-SVN.r14111/applications/integrative_docking/test/input/image_2.pgm /scratch/nightly-build-3697/imp-SVN.r14111/applications/integrative_docking/test/input/image_3.pgm -s 2.2 -n 200 
Image width = 110 height = 110 max color val = 255
Image width = 110 height = 110 max color val = 255
Image width = 110 height = 110 max color val = 255
Image width = 110 height = 110 max color val = 255
Image width = 110 height = 110 max color val = 255
Image width = 110 height = 110 max color val = 255
height = 1 all images 3
7824 atoms were read from file /scratch/nightly-build-3697/imp-SVN.r14111/applications/integrative_docking/test/input/complex-2d.pdb
200 projections were created
Image 0 Best projection 171 -135.204 0 0 0.952586 0.310345
Image 1 Best projection 27 198.988 0 0 0.945239 0.342167
Image 2 Best projection 152 75.5035 0 0 0.943158 0.289988
Total score = 2.84098
height = 1 all images 3
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
SER
Atom C of residue 230
Atom CZ of residue 97
Atom CA of residue 187
Atom C of residue 137
Atom C of residue 96
Atom O of residue 108
Atom CG of residue 66
Atom C of residue 94
Atom O of residue 205
Atom CE2 of residue 521
Atom CD2 of residue 453
Atom NE2 of residue 88
Atom CA of residue 314
Atom CG of residue 245
Atom CG1 of residue 200
Atom CB of residue 615
Atom CA of residue 73
Atom C of residue 367
Atom OG of residue 8
ALA
Atom OE1 of residue 531
Atom N of residue 679
Atom CA of residue 187
Atom OG of residue 332
Atom CG of residue 620
Atom CA of residue 353
Atom O of residue 284
PRO
Atom CH2 of residue 428
Atom CB of residue 241
Atom CB of residue 367
Atom O of residue 393
Atom CB of residue 270
Atom CB of residue 133
Atom CD of residue 496
Atom CE of residue 423
Atom CD of residue 163
Atom OG1 of residue 641
Atom CB of residue 32
Atom CB of residue 44
Atom CD of residue 248
Atom CA of residue 110
Atom CB of residue 272
Atom CB of residue 591
Atom C of residue 673
Atom NZ of residue 222
Atom N of residue 14
Atom CD2 of residue 131
Atom CA of residue 304
Atom CD1 of residue 90
Atom OE1 of residue 262
Atom CG of residue 177
Atom N of residue 86
Atom CZ2 of residue 461
GLY
Atom N of residue 410
Atom CB of residue 3
Atom CB of residue 402
Atom CD of residue 342
Atom CD of residue 506
Atom CA of residue 321
Atom CA of residue 148
Atom CG2 of residue 104
Atom O of residue 389
Atom CG of residue 256
Atom CA of residue 332
Atom C of residue 210
Atom N of residue 144
Atom CG of residue 405
Atom CB of residue 196
Atom CG of residue 122
Atom CA of residue 122
Atom N of residue 236
Atom O of residue 606
PRO
Atom ND1 of residue 187
ALA
Atom CD of residue 258
GLY
Atom CA of residue 153
Atom CA of residue 317
Atom N of residue 348
Atom CA of residue 95
Atom CZ of residue 299
Atom NE of residue 73
SER
Atom CD1 of residue 440
Atom O of residue 362
Atom N of residue 488
SER
Atom N of residue 63
Atom CG of residue 155
Atom CB of residue 126
Atom N of residue 647
Atom CA of residue 411
Atom CA of residue 446
Atom O of residue 399
Atom CA of residue 99
Atom SG of residue 635
Atom N of residue 601
Atom CA of residue 657
Atom C of residue 586
Atom CG2 of residue 416
Atom N of residue 295
Atom C of residue 48
Atom CB of residue 457
Atom CA of residue 276
Atom NE2 of residue 437
Atom OE1 of residue 141
Atom C of residue 187
Atom N of residue 436
Atom CD of residue 158
Atom CB of residue 146
GLU
Atom O of residue 244
Atom C of residue 304
Atom C of residue 383
Atom N of residue 527
Atom NZ of residue 418
Atom CD2 of residue 464
Atom C of residue 511
Atom O of residue 326
Atom O of residue 352
SER
Atom N of residue 183
Atom N of residue 80
Atom CD of residue 357
Atom C of residue 537
Atom CA of residue 267
Atom CA of residue 428
Atom CG2 of residue 127
Atom N of residue 100
Atom CG of residue 272
Atom CE3 of residue 72
Atom O of residue 342
Atom O of residue 673
Atom C of residue 167
Atom NE1 of residue 630
Atom CB of residue 241
Atom CB of residue 90
Atom C of residue 182
Atom O of residue 219
Atom CB of residue 625
HIS
Atom C of residue 321
ILE
Atom CG2 of residue 472
LEU
Atom CB of residue 284
Atom CG of residue 159
Atom OD2 of residue 651
Atom CG of residue 270
Atom CA of residue 373
Atom N of residue 569
Atom CB of residue 321
Atom CB of residue 201
Atom NH1 of residue 97
Atom CG of residue 187
Atom CD of residue 403
Atom C of residue 432
Atom O of residue 35
LEU
Atom N of residue 548
Atom CB of residue 19
Atom CG1 of residue 380
GLN
Atom CD of residue 620
Atom C of residue 192
Atom CZ of residue 521
Atom C of residue 326
Atom C of residue 411
Atom CA of residue 225
Atom CG of residue 391
Atom CA of residue 191
Atom O of residue 374
Atom C of residue 152
Atom N of residue 231
Atom CA of residue 397
ILE
Atom CH2 of residue 248
Atom NE2 of residue 413
Atom CG of residue 482
Atom CG2 of residue 641
Atom CG of residue 44
Atom NE of residue 248
Atom CA of residue 370
Atom CB of residue 206
PHE
Atom CD1 of residue 245
Atom O of residue 187
Atom CB of residue 73
Atom CA of residue 280
Atom O of residue 94
Atom CA of residue 275
THR
Atom CB of residue 163
Atom CB of residue 359
Atom N of residue 136
Atom CA of residue 492
Atom C of residue 314
Atom OE2 of residue 294
Atom N of residue 532
Atom N of residue 228
Atom N of residue 164
Atom O of residue 537
Atom O of residue 586
Atom NE of residue 167
Atom C of residue 32
Atom O of residue 421
Atom N of residue 172
Atom CB of residue 308
Atom CD2 of residue 90
Atom CD1 of residue 177
Atom CZ3 of residue 461
Atom CB of residue 205
Atom CG of residue 146
Atom CB of residue 353
Atom NE1 of residue 453
Atom C of residue 542
Atom O of residue 321
Atom CG of residue 363
Atom CG2 of residue 200
Atom N of residue 211
Atom N of residue 109
Atom CG1 of residue 615
Atom OE2 of residue 262
Atom CG2 of residue 336
Atom CG of residue 441
Atom CE1 of residue 114
Atom CD1 of residue 416
Atom OG of residue 201
Atom CD of residue 253
Atom CA of residue 299
Atom C of residue 347
Atom CG1 of residue 104
Atom C of residue 114
Atom CB of residue 289
Atom C of residue 332
Atom HET:HG   of residue 694
Atom N of residue 245
Atom CB of residue 606
Atom CA of residue 338
Atom N of residue 429
Atom CB of residue 362
Atom O of residue 411
Atom CB of residue 290
Atom CB of residue 148
Atom CB of residue 266
Atom CG of residue 367
Atom N of residue 596
Atom CG1 of residue 140
TYR
Atom C of residue 122
Atom CD1 of residue 272
Atom CB of residue 673
Atom CA of residue 69
GLY
GLU
Atom CB of residue 153
Atom C of residue 317
CYS
Atom OE1 of residue 158
Atom OE1 of residue 342
Atom C of residue 384
Atom CB of residue 669
Atom O of residue 383
Atom CD of residue 155
Atom CE of residue 506
Atom CE of residue 83
Atom C of residue 446
Atom OE1 of residue 258
Atom N of residue 223
Atom O of residue 511
Atom C of residue 141
Atom NE of residue 357
Atom SG of residue 378
ALA
Atom CB of residue 187
ALA
Atom C of residue 418
Atom CA of residue 236
THR
Atom O of residue 367
Atom CD of residue 122
Atom CG of residue 90
Atom O of residue 274
Atom CZ of residue 73
Atom CB of residue 58
Atom CA of residue 317
Atom N of residue 560
Atom CG of residue 163
SER
Atom O of residue 542
Atom CA of residue 196
Atom ND1 of residue 565
Atom CA of residue 253
Atom ND1 of residue 391
Atom N of residue 132
Atom C of residue 304
Atom CB of residue 428
Atom N of residue 285
Atom OD1 of residue 414
Atom CG of residue 241
Atom OE1 of residue 403
Atom O of residue 347
Atom O of residue 432
CYS
VAL
Atom CG of residue 133
ASN
Atom CB of residue 187
Atom CG2 of residue 73
Atom NZ of residue 423
Atom N of residue 322
Atom CA of residue 501
Atom CG of residue 591
Atom N of residue 400
THR
Atom N of residue 375
Atom N of residue 88
Atom N of residue 353
Atom SG of residue 477
Atom C of residue 373
Atom CB of residue 53
Atom CA of residue 262
CYS
Atom C of residue 312
LEU
Atom CA of residue 516
CYS
Atom NH1 of residue 299
Atom CB of residue 537
Atom CA of residue 402
Atom OD1 of residue 192
Atom CZ of residue 167
Atom CB of residue 304
Atom N of residue 343
Atom CB of residue 276
Atom CA of residue 61
Atom CA of residue 426
Atom N of residue 636
Atom CG2 of residue 380
Atom C of residue 248
Atom C of residue 267
Atom O of residue 182
Atom OG of residue 487
Atom N of residue 626
Atom CG1 of residue 359
Atom CG of residue 126
Atom N of residue 322
LYS
Atom O of residue 137
Atom O of residue 167
Atom CD2 of residue 437
Atom C of residue 294
Atom NE of residue 496
Atom C of residue 397
THR
Atom CD2 of residue 196
Atom NE2 of residue 65
Atom OG1 of residue 3
Atom CB of residue 370
SER
Atom O of residue 114
Atom N of residue 327
Atom C of residue 99
Atom CB of residue 280
Atom OE1 of residue 482
Atom OE1 of residue 620
ARG
Atom CB of residue 586
Atom CB of residue 317
Atom N of residue 36
Atom SG of residue 457
Atom CG2 of residue 140
Atom CB of residue 441
Atom CB of residue 253
Atom CZ of residue 248
LYS
Atom N of residue 220
Atom O of residue 309
Atom CB of residue 421
Atom CD of residue 256
Atom O of residue 96
Atom CD1 of residue 363
Atom C of residue 262
Atom O of residue 152
Atom CB of residue 274
Atom CA of residue 468
THR
Atom O of residue 384
Atom C of residue 8
Atom NZ of residue 83
Atom OG1 of residue 472
Atom OG1 of residue 290
Atom CZ2 of residue 72
Atom O of residue 611
Atom CB of residue 225
Atom CE2 of residue 630
Atom CB of residue 191
Atom N of residue 290
Atom CA of residue 679
Atom CD2 of residue 179
Atom N of residue 379
Atom C of residue 299
Atom O of residue 48
Atom N of residue 390
Atom O of residue 314
Atom CD1 of residue 270
Atom CG of residue 153
Atom C of residue 79
Atom CD2 of residue 177
GLU
Atom CH2 of residue 461
Atom N of residue 414
Atom CD2 of residue 146
Atom N of residue 642
Atom O of residue 32
THR
Atom CB of residue 338
Atom CB of residue 542
CYS
Atom C of residue 332
Atom CE1 of residue 90
Atom N of residue 201
ALA
LYS
Atom CA of residue 215
Atom CE2 of residue 114
Atom N of residue 417
Atom CD2 of residue 440
Atom OH of residue 521
Atom OE2 of residue 669
Atom CB of residue 347
Atom CA of residue 647
Atom CA of residue 105
Atom O of residue 210
Atom CA of residue 27
Atom OE1 of residue 122
Atom CD2 of residue 184
Atom OG of residue 317
Atom C of residue 127
Atom CD1 of residue 44
Atom CG of residue 362
Atom CD2 of residue 565
GLU
Atom O of residue 304
Atom CD2 of residue 245
Atom OE2 of residue 141
Atom CA of residue 183
Atom N of residue 337
Atom N of residue 95
Atom CG1 of residue 241
Atom C of residue 657
Atom CG1 of residue 428
PHE
Atom C of residue 414
Atom CD2 of residue 272
Atom CD1 of residue 241
Atom CA of residue 527
Atom OG1 of residue 673
Atom CD1 of residue 133
Atom CG2 of residue 615
Atom OD1 of residue 405
Atom CA of residue 601
Atom CA of residue 93
Atom O of residue 122
Atom NE2 of residue 342
Atom CA of residue 279
Atom N of residue 138
Atom CB of residue 511
ILE
Atom CA of residue 14
LEU
Atom CA of residue 86
Atom C of residue 679
Atom CA of residue 436
Atom C of residue 552
Atom N of residue 66
Atom CG2 of residue 19
Atom CG of residue 205
Atom CZ of residue 357
Atom C of residue 353
Atom CG2 of residue 3
Atom O of residue 192
Atom CB of residue 383
Atom CE2 of residue 453
Atom NE2 of residue 187
Atom N of residue 156
Atom CA of residue 400
Atom OD1 of residue 367
Atom CG of residue 276
Atom CD of residue 159
Atom N of residue 478
Atom CG of residue 152
SER
Atom CG of residue 243
Atom CA of residue 100
Atom CD of residue 163
Atom CA of residue 63
Atom OE2 of residue 258
Atom N of residue 168
Atom CD2 of residue 391
Atom O of residue 332
Atom N of residue 458
Atom CE1 of residue 437
Atom O of residue 397
Atom NE2 of residue 196
Atom C of residue 516
Atom O of residue 332
THR
HG
Atom C of residue 402
ASP
Atom CG of residue 606
Atom C of residue 110
Atom CA of residue 77
Atom OG of residue 370
TYR
Atom N of residue 433
Atom CA of residue 207
Atom CG1 of residue 148
Atom C of residue 426
Atom O of residue 99
Atom OG1 of residue 187
Atom N of residue 368
Atom CG1 of residue 280
Atom SD of residue 126
Atom C of residue 196
GLN
Atom CG1 of residue 284
Atom CA of residue 327
Atom N of residue 141
Atom O of residue 317
Atom OE2 of residue 482
Atom O of residue 657
Atom CG of residue 321
Atom OG of residue 58
Atom NH1 of residue 167
SER
GLY
Atom CB of residue 309
Atom NZ of residue 506
SER
Atom OE1 of residue 256
Atom SG of residue 308
Atom CB of residue 69
Atom CG1 of residue 73
Atom C of residue 423
PRO
Atom C of residue 601
Atom CA of residue 236
Atom C of residue 279
Atom CG2 of residue 359
Atom ND1 of residue 591
Atom O of residue 8
GLN
Atom CZ3 of residue 72
Atom CG of residue 225
Atom CE3 of residue 630
Atom O of residue 418
Atom C of residue 236
Atom O of residue 294
Atom CA of residue 348
Atom CZ of residue 496
Atom CB of residue 679
Atom NH1 of residue 73
Atom C of residue 501
Atom C of residue 201
Atom NH2 of residue 97
Atom CA of residue 172
Atom CA of residue 569
Atom CA of residue 414
Atom CA of residue 295
Atom C of residue 317
Atom N of residue 33
Atom O of residue 127
Atom CG1 of residue 338
PRO
Atom CD2 of residue 363
Atom CE2 of residue 90
Atom C of residue 141
Atom O of residue 312
Atom CA of residue 231
Atom CG1 of residue 19
Atom CG2 of residue 241
Atom NE2 of residue 441
Atom NH2 of residue 299
Atom NE2 of residue 158
Atom N of residue 441
Atom NH1 of residue 248
CYS
Atom CB of residue 411
Atom O of residue 446
Atom N of residue 473
Atom N of residue 49
Atom CB of residue 114
Atom CB of residue 314
THR
Atom C of residue 262
Atom N of residue 385
Atom N of residue 84
Atom CG2 of residue 290
Atom CD of residue 90
Atom CD1 of residue 205
Atom CB of residue 78
Atom ND1 of residue 537
Atom N of residue 183
Atom CA of residue 429
Atom OG of residue 206
Atom C of residue 611
Atom OE1 of residue 159
Atom CA of residue 596
Atom O of residue 373
Atom CD1 of residue 615
Atom C of residue 405
Atom CG of residue 289
Atom CA of residue 337
Atom CB of residue 27
Atom CB of residue 601
Atom CA of residue 560
Atom O of residue 279
Atom CA of residue 548
Atom C of residue 88
MET
Atom CD of residue 153
Atom CB of residue 109
Atom O of residue 552
Atom N of residue 333
Atom CB of residue 215
Atom OE2 of residue 620
Atom O of residue 353
Atom CA of residue 1
Atom N of residue 98
Atom N of residue 522
Atom C of residue 77
Atom OG of residue 383
Atom CE3 of residue 453
TRP
Atom C of residue 104
Atom C of residue 253
Atom OD2 of residue 367
Atom N of residue 209
Atom CD2 of residue 270
Atom CG of residue 53
ALA
Atom C of residue 414
PHE
HIS
Atom C of residue 295
Atom CA of residue 209
Atom CD2 of residue 44
Atom CG of residue 669
Atom CB of residue 63
Atom OE2 of residue 403
Atom CA of residue 570
Atom CB of residue 304
Atom C of residue 14
Atom C of residue 177
ARG
Atom O of residue 516
Atom C of residue 380
Atom OG of residue 274
Atom CG2 of residue 428
Atom CE1 of residue 272
Atom CE of residue 126
Atom CD2 of residue 241
Atom CA of residue 136
Atom CG2 of residue 148
ALA
Atom CG2 of residue 673
Atom CG of residue 69
ALA
Atom CB of residue 86
Atom CD of residue 152
Atom CA of residue 228
Atom O of residue 248
Atom O of residue 406
SER
Atom CB of residue 100
Atom ND2 of residue 414
Atom O of residue 299
TYR
Atom CE1 of residue 245
ASP
Atom CB of residue 317
Atom O of residue 679
Atom N of residue 462
Atom CA of residue 368
ARG
Atom CD1 of residue 146
Atom C of residue 3
Atom CD of residue 243
Atom CD1 of residue 362
Atom CD2 of residue 187
Atom N of residue 507
Atom CB of residue 446
Atom CD1 of residue 276
Atom C of residue 596
Atom CA of residue 636
Atom CA of residue 164
Atom CZ of residue 114
Atom CB of residue 122
Atom CG of residue 586
GLY
Atom CA of residue 488
GLU
Atom CG of residue 421
Atom C of residue 492
Atom C of residue 308
ARG
Atom C of residue 548
Atom O of residue 236
Atom C of residue 437
Atom CA of residue 109
Atom CB of residue 552
Atom N of residue 424
THR
Atom CA of residue 410
Atom O of residue 267
Atom O of residue 501
Atom CA of residue 285
Atom CG2 of residue 347
Atom C of residue 206
Atom CE1 of residue 391
Atom O of residue 262
Atom C of residue 183
Atom CB of residue 397
Atom CG2 of residue 187
Atom CG2 of residue 280
Atom CB of residue 414
Atom O of residue 295
Atom CB of residue 236
Atom O of residue 304
Atom N of residue 9
Atom C of residue 370
Atom CB of residue 400
Atom CA of residue 343
Atom C of residue 191
Atom CZ of residue 90
Atom CB of residue 348
Atom N of residue 313
Atom C of residue 299
Atom C of residue 158
Atom C of residue 58
ASP
Atom CD1 of residue 606
Atom NH2 of residue 248
Atom CA of residue 220
Atom CA of residue 626
Atom CD2 of residue 591
Atom CA of residue 390
Atom C of residue 258
Atom O of residue 253
GLU
Atom N of residue 512
Atom CA of residue 353
Atom CB of residue 373
Atom O of residue 262
Atom C of residue 569
Atom O of residue 601
Atom NH1 of residue 357
Atom CB of residue 192
Atom C of residue 468
Atom NH2 of residue 167
Atom CB of residue 279
Atom CA of residue 322
ALA
ALA
Atom CD of residue 225
Atom N of residue 118
ALA
Atom CA of residue 652
Atom CB of residue 231
Atom OE1 of residue 90
Atom NH2 of residue 73
Atom CG of residue 537
Atom CE of residue 243
Atom OE1 of residue 163
Atom O of residue 77
Atom OG of residue 63
Atom C of residue 647
Atom CA of residue 223
Atom CB of residue 596
Atom O of residue 317
Atom N of residue 128
Atom CG2 of residue 338
Atom O of residue 488
Atom CD1 of residue 69
Atom O of residue 548
Atom N of residue 419
Atom CD2 of residue 133
Atom OE1 of residue 153
Atom O of residue 141
Atom CB of residue 99
Atom NE2 of residue 122
Atom CD1 of residue 19
Atom O of residue 380
Atom N of residue 242
Atom CG of residue 215
Atom N of residue 621
Atom CB of residue 410
Atom CG of residue 411
Atom CE1 of residue 565
Atom C of residue 527
Atom CG2 of residue 284
PRO
Atom OD1 of residue 321
Atom CA of residue 417
Atom N of residue 404
Atom OG1 of residue 400
Atom CB of residue 172
Atom CE1 of residue 363
Atom C of residue 372
Atom CE2 of residue 270
Atom O of residue 177
Atom NE1 of residue 146
ALA
Atom C of residue 359
GLU
Atom CZ2 of residue 630
Atom OE2 of residue 159
Atom CA of residue 375
Atom SG of residue 86
Atom N of residue 616
Atom NH1 of residue 496
Atom C of residue 436
Atom CD2 of residue 441
Atom C of residue 209
Atom O of residue 468
Atom CA of residue 642
Atom C of residue 44
Atom CD of residue 421
Atom CB of residue 299
Atom CA of residue 473
Atom CB of residue 332
Atom CA of residue 201
Atom C of residue 652
Atom CA of residue 141
Atom CD1 of residue 53
Atom ND2 of residue 405
SER
Atom N of residue 249
Atom N of residue 483
Atom N of residue 354
LEU
Atom OG1 of residue 100
ALA
Atom CD2 of residue 362
Atom CZ2 of residue 453
Atom O of residue 414
Atom C of residue 136
Atom O of residue 104
Atom CG1 of residue 114
Atom N of residue 368
ASP
Atom CZ of residue 245
Atom O of residue 88
Atom CA of residue 532
Atom C of residue 85
Atom C of residue 228
Atom CD1 of residue 73
Atom CD2 of residue 205
Atom CA of residue 379
Atom N of residue 1
Atom CB of residue 295
Atom CG of residue 253
Atom CG1 of residue 309
Atom N of residue 543
Atom NZ of residue 611
Atom O of residue 492
Atom N of residue 295
Atom C of residue 337
Atom N of residue 517
Atom CB of residue 657
Atom CG2 of residue 410
Atom OD1 of residue 586
Atom CE2 of residue 272
Atom OG1 of residue 347
Atom O of residue 647
Atom C of residue 290
Atom CH2 of residue 72
Atom CA of residue 36
Atom N of residue 674
Atom NE2 of residue 391
HIS
Atom O of residue 183
Atom N of residue 398
Atom C of residue 164
THR
Atom N of residue 268
Atom N of residue 343
Atom O of residue 326
Atom O of residue 370
Atom NE2 of residue 256
ASP
PRO
Atom CG of residue 317
Atom OG1 of residue 348
Atom N of residue 263
Atom CD1 of residue 289
Atom SG of residue 552
Atom N of residue 275
GLY
Atom C of residue 560
Atom N of residue 305
Atom OE2 of residue 163
Atom CE1 of residue 187
LEU
Atom CG of residue 446
Atom CA of residue 138
Atom O of residue 527
Atom O of residue 308
Atom O of residue 191
Atom O of residue 596
Atom NH2 of residue 357
Atom C of residue 114
Atom O of residue 3
Atom N of residue 168
Atom N of residue 607
Atom N of residue 127
Atom CE1 of residue 241
Atom CA of residue 433
Atom CA of residue 49
Atom CD of residue 343
Atom O of residue 258
Atom N of residue 315
Atom CB of residue 548
Atom C of residue 133
Atom O of residue 652
GLU
Atom C of residue 298
Atom CG2 of residue 27
Atom C of residue 122
Atom CG of residue 122
Atom CB of residue 501
TRP
Atom CD of residue 669
Atom C of residue 626
Atom N of residue 415
Atom CG of residue 304
Atom OH of residue 90
Atom C of residue 353
Atom C of residue 532
Atom O of residue 228
Atom N of residue 188
Atom O of residue 436
Atom CA of residue 394
VAL
Atom C of residue 428
Atom O of residue 110
Atom CG2 of residue 400
Atom CB of residue 492
Atom CG of residue 99
Atom OE1 of residue 152
PRO
Atom O of residue 337
Atom CA of residue 66
Atom O of residue 299
Atom CA of residue 183
Atom O of residue 201
Atom O of residue 359
LEU
Atom N of residue 73
Atom NE2 of residue 565
Atom CB of residue 253
Atom C of residue 223
Atom CA of residue 419
Atom OG of residue 373
Atom CB of residue 285
Atom C of residue 429
Atom CG of residue 279
Atom O of residue 196
Atom OG of residue 172
Atom CD2 of residue 276
Atom CA of residue 80
Atom CA of residue 478
ARG
Atom O of residue 44
Atom CA of residue 385
Atom CE1 of residue 591
Atom CA of residue 84
Atom CA of residue 168
Atom CA of residue 458
Atom O of residue 14
Atom N of residue 237
Atom O of residue 437
Atom NH2 of residue 496
Atom C of residue 73
Atom C of residue 636
Atom CE1 of residue 441
Atom O of residue 114
Atom N of residue 318
Atom O of residue 209
Atom CG of residue 192
Atom C of residue 220
Atom N of residue 384
Atom CG2 of residue 309
Atom CA of residue 156
Atom O of residue 206
Atom C of residue 148
Atom CD2 of residue 69
Atom O of residue 308
Atom CA of residue 553
Atom C of residue 280
Atom N of residue 381
Atom CD of residue 215
GLN
Atom OG1 of residue 410
Atom C of residue 236
ALA
Atom CB of residue 77
Atom C of residue 63
Atom O of residue 136
Atom O of residue 290
Atom OE2 of residue 332
Atom C of residue 90
Atom CB of residue 375
Atom N of residue 142
Atom C of residue 109
Atom CB of residue 532
Atom O of residue 405
VAL
ALA
Atom N of residue 74
Atom C of residue 642
Atom N of residue 89
Atom CB of residue 611
Atom CB of residue 390
LEU
Atom N of residue 178
Atom CB of residue 262
Atom O of residue 569
Atom O of residue 66
Atom C of residue 253
Atom CG2 of residue 114
Atom N of residue 285
Atom CE of residue 225
Atom CZ3 of residue 630
Atom CB of residue 419
Atom C of residue 88
Atom CB of residue 88
Atom CB of residue 407
Atom CG of residue 231
Atom C of residue 19
Atom CZ of residue 657
Atom C of residue 379
Atom OD2 of residue 321
Chain A
Atom ND2 of residue 586
SER
Atom CE of residue 421
Atom N of residue 300
Atom CB of residue 647
Atom N of residue 257
Atom N of residue 160
Atom CB of residue 327
Atom C of residue 478
Atom CB of residue 652
Atom N of residue 680
Atom CA of residue 462
Atom CG1 of residue 27
Atom CD1 of residue 122
Atom CA of residue 98
Atom CA of residue 33
Atom O of residue 560
Atom C of residue 338
Atom CE1 of residue 362
Atom CB of residue 36
Atom CE2 of residue 363
Atom CD1 of residue 304
Atom CA of residue 211
Atom O of residue 58
Atom CG of residue 295
Atom N of residue 4
Atom O of residue 428
Atom O of residue 429
Atom C of residue 488
Atom CE2 of residue 241
Atom CB of residue 196
Atom CB of residue 527
Atom C of residue 61
Atom N of residue 338
TYR
Atom CG2 of residue 100
Atom CZ of residue 272
Atom CB of residue 138
Atom N of residue 259
ALA
Atom O of residue 90
Atom CA of residue 512
Atom N of residue 15
Atom N of residue 406
ILE
Atom CE1 of residue 196
GLN
Atom O of residue 158
ALA
Atom CA of residue 441
Atom N of residue 249
Atom CD1 of residue 411
Atom CB of residue 433
Atom CB of residue 49
Atom CA of residue 315
Atom CE1 of residue 276
Atom N of residue 192
Atom CA of residue 118
PRO
Atom CG2 of residue 348
Atom NE2 of residue 152
ALA
Atom O of residue 164
Atom CB of residue 110
Atom C of residue 187
Atom CA of residue 9
Atom N of residue 115
Atom O of residue 223
Atom N of residue 602
Atom NE2 of residue 90
Atom CE1 of residue 205
LEU
Atom NZ of residue 243
Atom CG of residue 285
Atom CA of residue 522
GLY
Atom CB of residue 326
Atom CZ3 of residue 453
Atom CB of residue 322
Atom O of residue 148
ILE
Atom OG of residue 492
Atom OG1 of residue 548
Atom O of residue 133
Atom O of residue 478
Atom CD2 of residue 289
Atom CA of residue 313
Atom O of residue 280
Atom O of residue 122
LEU
Atom N of residue 309
ARG
Atom N of residue 438
Atom CB of residue 211
Atom NE2 of residue 153
Atom OD1 of residue 317
Atom O of residue 532
SER
Atom CB of residue 436
Atom O of residue 636
GLY
Atom CA of residue 333
ASP
Atom CA of residue 395
Atom O of residue 220
Atom CD of residue 446
Atom N of residue 105
Atom CG2 of residue 228
Atom CB of residue 183
Atom C of residue 417
Atom O of residue 236
Atom OD2 of residue 192
Atom CA of residue 128
Atom OE1 of residue 669
VAL
PRO
ARG
Atom NZ of residue 225
Atom CB of residue 168
Atom C of residue 458
Atom N of residue 91
ALA
VAL
Atom CA of residue 242
Atom CE2 of residue 146
Atom CB of residue 468
Atom CD of residue 279
VAL
Atom C of residue 156
Atom CA of residue 507
Atom OG of residue 390
Atom C of residue 172
Atom C of residue 86
Atom N of residue 374
Atom OG of residue 262
Atom CB of residue 569
Atom N of residue 358
Atom CB of residue 65
Atom O of residue 338
Atom CG of residue 611
Atom N of residue 497
Atom CD of residue 231
Atom C of residue 441
Atom CB of residue 183
GLN
Atom CG of residue 501
ASP
Atom CB of residue 209
Atom N of residue 244
Atom OG of residue 326
Atom N of residue 360
Atom CG of residue 322
Atom CD2 of residue 411
Atom CA of residue 285
ARG
Atom OG1 of residue 327
Atom C of residue 201
Atom O of residue 353
Atom CB of residue 228
Atom O of residue 73
ALA
Atom CG of residue 36
Atom CD of residue 211
Atom O of residue 109
Atom CB of residue 95
HIS
Atom N of residue 300
GLY
Atom N of residue 202
SER
Atom NE2 of residue 591
Atom CB of residue 136
Atom N of residue 207
Atom O of residue 400
Atom CB of residue 343
Atom CG of residue 253
Atom CA of residue 493
Atom N of residue 392
Atom CG of residue 332
Atom CZ of residue 363
Atom C of residue 375
Atom CE1 of residue 53
Atom CB of residue 409
MET
Atom CA of residue 142
Atom C of residue 98
Atom N of residue 310
Atom O of residue 626
Atom N of residue 371
Atom CH2 of residue 630
Atom CD of residue 419
Atom O of residue 19
Atom N of residue 159
Atom CA of residue 74
Atom N of residue 59
Atom CA of residue 354
Atom C of residue 163
Atom N of residue 291
Atom CB of residue 478
Atom CG of residue 652
Atom CA of residue 616
Atom C of residue 196
Atom CD1 of residue 27
Atom CG of residue 657
Atom CD2 of residue 122
Atom O of residue 417
ALA
Atom N of residue 45
Atom NZ of residue 421
Atom CG2 of residue 63
Atom CG of residue 22
Atom CD2 of residue 304
Atom CG2 of residue 596
Atom CZ of residue 270
Atom C of residue 153
Atom CD of residue 99
Atom N of residue 91
Atom CE2 of residue 205
Atom OE1 of residue 215
Atom CA of residue 621
Atom CD of residue 295
Atom C of residue 441
Atom CB of residue 429
Atom CH2 of residue 453
Atom CZ of residue 241
LYS
Atom CA of residue 368
Atom C of residue 319
Atom CG2 of residue 327
Atom O of residue 201
Atom CB of residue 164
Atom O of residue 642
Atom C of residue 100
ALA
Atom CA of residue 674
ASP
Atom CA of residue 295
Atom ND2 of residue 317
ALA
Atom C of residue 462
Atom CA of residue 517
Atom CE3 of residue 146
Atom CA of residue 343
Atom C of residue 522
Atom O of residue 253
Atom N of residue 566
Atom N of residue 229
Atom CE2 of residue 276
Atom SG of residue 679
Atom C of residue 275
Atom CA of residue 140
Atom N of residue 429
Atom CG of residue 110
Atom OG1 of residue 77
Atom CA of residue 404
Atom O of residue 473
Atom O of residue 458
PHE
Atom N of residue 553
Atom CB of residue 333
Atom CA of residue 249
Atom N of residue 115
Atom CD of residue 501
Atom OD1 of residue 285
Atom CB of residue 560
Atom CB of residue 385
Atom N of residue 670
Atom CA of residue 384
Atom O of residue 63
Atom O of residue 156
Atom C of residue 84
Atom N of residue 149
Atom C of residue 49
Atom CB of residue 223
Atom CG2 of residue 548
CYS
Atom C of residue 512
Atom OH of residue 245
Atom O of residue 86
Atom CA of residue 146
ASP
Atom CE2 of residue 53
THR
Atom CD1 of residue 183
Atom N of residue 281
Atom O of residue 379
ARG
Atom CA of residue 127
Atom CG1 of residue 196
Atom CB of residue 62
Atom N of residue 134
Atom CG of residue 211
Atom CA of residue 263
Atom CA of residue 188
Atom CB of residue 636
Atom N of residue 123
Atom CD2 of residue 537
Atom CG of residue 183
Atom CG of residue 209
Atom CA of residue 193
Atom N of residue 221
Atom N of residue 327
Atom C of residue 507
Atom N of residue 447
Atom CD1 of residue 253
VAL
Atom CD of residue 118
Atom CB of residue 353
Atom CG2 of residue 266
Atom N of residue 410
Atom CA of residue 398
Atom OG1 of residue 228
Atom CA of residue 338
Atom O of residue 410
Atom CA of residue 268
Atom N of residue 237
Atom CE2 of residue 362
TRP
Atom C of residue 433
Atom C of residue 225
Atom C of residue 348
Atom CD of residue 313
Atom CA of residue 424
Atom OG1 of residue 95
Atom SG of residue 601
Atom CA of residue 381
Atom N of residue 587
Atom CB of residue 395
Atom N of residue 280
Atom CA of residue 305
Atom CG of residue 136
Atom N of residue 648
Atom C of residue 73
Atom C of residue 400
Atom CG of residue 343
Atom CA of residue 115
ALA
Atom CG of residue 569
Atom O of residue 275
CYS
Atom C of residue 140
Atom CA of residue 168
GLU
Atom CB of residue 626
TRP
GLY
Atom C of residue 363
Atom CD of residue 22
Atom CE of residue 231
Atom CB of residue 79
Atom CB of residue 249
Atom NE2 of residue 215
Atom CA of residue 318
Atom O of residue 163
Atom N of residue 412
Atom CG of residue 138
Atom SG of residue 527
Atom O of residue 375
HIS
Atom CD2 of residue 183
Atom CG of residue 436
Atom N of residue 74
GLN
Atom CA of residue 543
Atom N of residue 422
PHE
Atom C of residue 315
Atom CB of residue 63
Atom OE1 of residue 99
Atom CB of residue 263
Atom CA of residue 300
Atom CB of residue 354
Atom CB of residue 33
Atom C of residue 385
Atom N of residue 339
Atom CA of residue 249
Atom O of residue 84
Atom CD of residue 36
Atom CG of residue 168
Atom CA of residue 91
Atom C of residue 616
Atom CB of residue 642
Atom CG2 of residue 77
VAL
Atom CA of residue 300
Atom C of residue 390
Atom O of residue 172
Atom C of residue 285
Atom O of residue 141
Atom O of residue 462
Atom CB of residue 424
Atom C of residue 621
PRO
Atom O of residue 522
Atom CB of residue 305
Atom N of residue 64
LYS
Atom CB of residue 9
Atom N of residue 348
TRP
Atom CD of residue 611
Atom C of residue 368
Atom C of residue 327
Atom CA of residue 237
Atom N of residue 479
Atom OD1 of residue 652
GLY
Atom O of residue 441
Atom CB of residue 379
Atom CB of residue 417
LEU
Atom CB of residue 488
Atom CE1 of residue 69
Atom C of residue 245
Atom O of residue 153
Atom C of residue 27
Atom C of residue 517
Atom OG1 of residue 333
Atom CG1 of residue 249
Atom CZ of residue 205
Atom NE of residue 295
Atom OG1 of residue 560
Atom N of residue 454
Atom SG of residue 223
Atom O of residue 512
Atom CA of residue 178
HIS
Atom CG2 of residue 95
Atom O of residue 441
Atom C of residue 543
Atom OH of residue 272
Atom C of residue 404
Atom CD of residue 332
Atom O of residue 62
Atom N of residue 271
LEU
Atom N of residue 318
ASN
Atom O of residue 348
Atom CB of residue 152
Atom N of residue 263
ARG
LEU
Atom CZ2 of residue 146
Atom CB of residue 1
Atom CB of residue 128
VAL
Atom CD1 of residue 138
Atom C of residue 115
Atom C of residue 407
Atom N of residue 631
Atom CB of residue 118
Atom CB of residue 91
Atom N of residue 87
Atom C of residue 146
Atom CA of residue 142
ALA
Atom C of residue 242
Atom CB of residue 275
Atom CE1 of residue 537
Atom CD of residue 110
Atom CZ of residue 362
Atom O of residue 187
Atom C of residue 127
Atom O of residue 433
Atom O of residue 285
Atom CA of residue 309
Atom CB of residue 458
Atom CG1 of residue 596
Atom CB of residue 295
Atom CG of residue 313
Atom CG2 of residue 424
Atom CG1 of residue 79
Atom CA of residue 483
Atom CD of residue 657
ILE
Atom C of residue 343
Atom CA of residue 607
Atom N of residue 254
Atom CG1 of residue 305
Atom CA of residue 64
Atom CD of residue 322
Atom C of residue 473
Atom O of residue 49
Atom N of residue 549
Atom N of residue 305
Atom N of residue 110
Atom C of residue 398
THR
Atom CD1 of residue 436
Atom CA of residue 587
Atom CA of residue 4
Atom CG of residue 395
Atom CG of residue 429
Atom N of residue 79
Atom CB of residue 156
Atom CA of residue 648
ASP
Atom CA of residue 257
Atom N of residue 493
Atom CA of residue 192
Atom CA of residue 160
Atom C of residue 142
Atom OD1 of residue 183
Atom CE1 of residue 122
Atom OG1 of residue 468
Atom CG of residue 33
PRO
Atom CG of residue 9
Atom CA of residue 392
Atom CA of residue 15
Atom OG1 of residue 353
HIS
Atom N of residue 20
ARG
Atom OE1 of residue 501
GLU
Atom C of residue 168
Atom CB of residue 543
Atom CA of residue 371
Atom CG2 of residue 196
Atom N of residue 528
Atom N of residue 173
Atom CZ of residue 276
Atom CA of residue 64
Atom CZ of residue 53
Atom CG2 of residue 263
Atom CA of residue 17
Atom C of residue 128
VAL
Atom N of residue 78
Atom C of residue 241
Atom C of residue 232
Atom OE1 of residue 36
Atom CB of residue 105
Atom C of residue 343
PHE
Atom OD1 of residue 168
Atom OG of residue 91
Atom C of residue 237
Atom O of residue 196
Atom CA of residue 358
GLU
Atom C of residue 268
Atom OD2 of residue 285
Atom CA of residue 202
Atom C of residue 384
Atom CA of residue 310
Atom SG of residue 626
Atom O of residue 390
Atom CA of residue 259
Atom CE2 of residue 69
Atom NE of residue 22
Atom CB of residue 141
Atom CB of residue 408
THR
Atom CG of residue 164
Atom CG2 of residue 249
Atom C of residue 483
Atom C of residue 215
Atom CA of residue 117
SER
Atom O of residue 100
Atom C of residue 607
Atom CA of residue 360
Atom O of residue 73
Atom CB of residue 201
Atom CA of residue 438
Atom CA of residue 497
SER
Atom OG of residue 636
Atom O of residue 242
Atom N of residue 442
Atom C of residue 410
Atom OG of residue 488
ALA
Atom C of residue 300
Atom O of residue 507
LEU
Atom O of residue 315
Atom CB of residue 192
Atom CD of residue 569
Atom O of residue 27
Atom O of residue 101
Atom N of residue 193
Atom O of residue 385
Atom CB of residue 84
Atom CB of residue 207
Atom O of residue 225
Atom NZ of residue 231
Atom OG of residue 642
Atom C of residue 592
Atom CB of residue 285
Atom C of residue 674
HIS
GLY
Atom CB of residue 462
Atom CG1 of residue 424
Atom CA of residue 322
Atom CB of residue 17
Atom N of residue 79
Atom CB of residue 45
Atom CB of residue 522
Atom CG2 of residue 305
Atom CA of residue 78
Atom CA of residue 291
Atom C of residue 570
THR
Atom O of residue 146
ILE
PRO
Atom ND2 of residue 652
ALA
Atom CB of residue 178
Atom CA of residue 680
Atom CG of residue 379
Atom CB of residue 441
Atom CD of residue 202
Atom CD1 of residue 429
SER
Atom CB of residue 259
Atom CG of residue 295
Atom OD1 of residue 141
Atom CA of residue 374
Atom CE1 of residue 183
Atom CG2 of residue 333
Atom O of residue 142
SER
Atom O of residue 483
Atom CE2 of residue 122
Atom CZ of residue 295
Atom CB of residue 607
PHE
Atom CA of residue 415
Atom O of residue 232
Atom CG of residue 105
Atom CE of residue 611
ALA
Atom CB of residue 512
Atom N of residue 154
Atom CB of residue 142
Atom C of residue 95
Atom CD of residue 209
Atom CA of residue 254
Atom C of residue 249
Atom O of residue 543
Atom CG of residue 156
Atom O of residue 322
Atom CA of residue 149
Atom CD2 of residue 253
Atom O of residue 363
Atom SG of residue 192
Atom O of residue 65
Atom O of residue 245
Atom OE2 of residue 211
Atom O of residue 616
Atom C of residue 188
Atom C of residue 553
Atom O of residue 404
Atom CG of residue 207
Atom CD2 of residue 138
GLY
Atom CD1 of residue 596
Atom CB of residue 313
THR
Atom ND1 of residue 381
Atom N of residue 301
Atom CZ3 of residue 146
Atom CA of residue 59
Atom O of residue 621
Atom CB of residue 4
Atom CA of residue 429
Atom C of residue 285
Atom CE of residue 110
Atom CD of residue 136
Atom N of residue 434
Atom C of residue 257
Atom O of residue 368
Atom O of residue 674
Atom OE1 of residue 332
Atom C of residue 276
Atom C of residue 160
Atom N of residue 376
GLN
ARG
Atom CG of residue 408
Atom N of residue 197
Atom CD of residue 164
Atom CA of residue 602
Atom CG of residue 88
Atom C of residue 322
Atom C of residue 354
Atom CG of residue 417
Atom O of residue 241
LEU
ARG
Atom CB of residue 15
Atom N of residue 349
Atom CA of residue 290
Atom O of residue 680
Atom N of residue 637
Atom O of residue 517
Atom N of residue 206
Atom CA of residue 159
Atom CG of residue 202
Atom N of residue 164
Atom O of residue 384
GLN
Atom C of residue 272
Atom CD2 of residue 259
Atom CB of residue 309
Atom C of residue 91
Atom N of residue 533
Atom CA of residue 281
Atom NE of residue 657
Atom CB of residue 318
Atom CA of residue 237
ASP
Atom CD1 of residue 9
Atom CD1 of residue 196
Atom O of residue 237
Atom OH of residue 53
Atom CA of residue 115
GLU
Atom CA of residue 221
Atom N of residue 188
Atom CB of residue 507
Atom N of residue 50
LEU
Atom C of residue 64
Atom CG of residue 118
Atom N of residue 202
Atom OE1 of residue 569
Atom O of residue 188
Atom O of residue 553
Atom O of residue 78
Atom CB of residue 101
Atom CA of residue 45
Atom CA of residue 280
Atom N of residue 363
Atom CB of residue 360
Atom N of residue 226
Atom CG of residue 458
Atom ND1 of residue 438
Atom C of residue 497
Atom C of residue 231
Atom CD of residue 275
HIS
Atom CG2 of residue 560
Atom CA of residue 566
Atom O of residue 115
Atom CA of residue 229
Atom CG2 of residue 353
PHE
Atom O of residue 398
Atom CB of residue 74
Atom O of residue 602
Atom C of residue 249
Atom CB of residue 483
Atom CD1 of residue 88
Atom O of residue 322
Atom N of residue 411
Atom O of residue 128
Atom N of residue 101
Atom O of residue 607
Atom CZ of residue 22
Atom C of residue 290
Atom CG of residue 381
Atom CB of residue 242
Atom CB of residue 300
Atom OD2 of residue 183
Atom OE2 of residue 501
Atom N of residue 210
Atom CG2 of residue 468
Atom CD2 of residue 395
SER
Atom CA of residue 447
Atom O of residue 343
Atom C of residue 392
Atom N of residue 224
Atom C of residue 192
Atom OD2 of residue 141
Atom CA of residue 91
Atom C of residue 358
Atom CG of residue 318
Atom O of residue 168
Atom CA of residue 339
Atom N of residue 627
Atom CB of residue 415
Atom O of residue 127
ARG
Atom CB of residue 371
Atom C of residue 671
Atom CB of residue 291
Atom CD1 of residue 207
Atom CA of residue 134
SER
Atom C of residue 142
Atom CA of residue 406
Atom CE2 of residue 183
Atom CG2 of residue 79
Atom CA of residue 123
Atom CG of residue 557
Atom NE2 of residue 537
Atom O of residue 249
Atom CA of residue 327
Atom CE of residue 136
Atom N of residue 612
Atom N of residue 254
LEU
Atom CZ of residue 78
Atom C of residue 374
Atom CA of residue 110
Atom CB of residue 616
Atom ND1 of residue 417
VAL
Atom C of residue 305
TYR
GLY
Atom CA of residue 631
Atom C of residue 419
Atom CA of residue 479
Atom N of residue 653
Atom O of residue 215
Atom CH2 of residue 146
Atom CB of residue 621
Atom CB of residue 202
Atom CG of residue 259
Atom CB of residue 368
Atom O of residue 160
Atom N of residue 597
Atom O of residue 327
Atom CA of residue 87
Atom CB of residue 146
Atom CD1 of residue 295
Atom CA of residue 104
ILE
Atom CD2 of residue 436
HIS
Atom CD1 of residue 379
Atom O of residue 354
Atom CZ of residue 122
Atom CB of residue 406
Atom N of residue 643
Atom CA of residue 422
Atom CB of residue 404
Atom N of residue 333
Atom CA of residue 305
Atom O of residue 290
Atom OE2 of residue 132
Atom N of residue 518
Atom CB of residue 59
Atom CB of residue 115
Atom CB of residue 429
Atom N of residue 386
GLN
Atom CA of residue 454
Atom CG of residue 84
SER
Atom OD2 of residue 168
Atom CA of residue 153
Atom C of residue 310
Atom CA of residue 592
Atom OE1 of residue 322
Atom N of residue 391
Atom CD of residue 458
Atom CB of residue 243
Atom OG of residue 462
Atom NH1 of residue 657
Atom CB of residue 159
Atom O of residue 268
Atom O of residue 285
Atom CD2 of residue 33
Atom N of residue 523
Atom C of residue 327
LYS
Atom O of residue 300
Atom CA of residue 348
Atom CB of residue 473
Atom NE2 of residue 36
Atom CD of residue 105
Atom CG2 of residue 285
Atom C of residue 493
Atom N of residue 364
Atom O of residue 276
Atom C of residue 118
LEU
Atom OG1 of residue 178
Atom CB of residue 281
Atom N of residue 165
Atom CB of residue 322
Atom CB of residue 237
Atom CG of residue 101
Atom C of residue 254
Atom O of residue 257
Atom CA of residue 549
Atom CA of residue 533
Atom ND1 of residue 557
Atom CA of residue 77
Atom C of residue 333
GLU
Atom CG of residue 275
Atom OG of residue 300
Atom C of residue 183
Atom N of residue 561
Atom CD1 of residue 395
Atom CB of residue 221
Atom CE1 of residue 138
Atom CA of residue 73
Atom N of residue 401
ASP
Atom CG of residue 512
HIS
Atom N of residue 354
Atom OE1 of residue 211
Atom CA of residue 318
Atom CA of residue 81
Atom CB of residue 398
Atom C of residue 338
GLN
Atom CG of residue 1
Atom O of residue 343
ALA
ALA
Atom NH1 of residue 22
Atom N of residue 246
Atom CA of residue 271
Atom C of residue 53
Atom N of residue 28
Atom CD2 of residue 88
TYR
Atom N of residue 502
Atom CA of residue 489
Atom CA of residue 670
Atom CG of residue 507
Atom C of residue 566
Atom N of residue 344
Atom O of residue 392
Atom C of residue 229
Atom N of residue 142
Atom OE2 of residue 569
Atom CA of residue 74
ALA
Atom O of residue 358
Atom N of residue 538
Atom CG of residue 4
Atom CG1 of residue 441
Atom CB of residue 168
ALA
Atom C of residue 64
GLU
Atom CG of residue 371
Atom N of residue 197
PRO
Atom CG of residue 419
Atom CG of residue 201
Atom CB of residue 406
SER
Atom CA of residue 263
Atom O of residue 231
Atom N of residue 80
Atom O of residue 327
Atom N of residue 242
Atom C of residue 348
Atom CB of residue 115
Atom O of residue 493
Atom CZ of residue 69
Atom O of residue 374
Atom N of residue 264
Atom O of residue 424
Atom O of residue 249
Atom CG of residue 483
Atom C of residue 193
Atom CB of residue 339
Atom O of residue 254
Atom CD2 of residue 429
Atom NZ of residue 110
Atom N of residue 385
Atom CB of residue 134
Atom CB of residue 290
Atom C of residue 680
Atom CB of residue 123
Atom CA of residue 20
Atom CB of residue 381
Atom N of residue 216
Atom CG of residue 59
GLU
VAL
Atom CD2 of residue 9
Atom CD of residue 84
Atom C of residue 168
Atom O of residue 192
Atom CG of residue 15
Atom CB of residue 237
Atom CG of residue 146
Atom CB of residue 81
Atom N of residue 437
Atom CA of residue 197
Atom O of residue 95
Atom CD2 of residue 379
HIS
Atom O of residue 310
Atom CD1 of residue 156
Atom CB of residue 149
Atom CA of residue 528
Atom CA of residue 173
Atom N of residue 328
Atom C of residue 271
Atom N of residue 133
Atom N of residue 463
Atom CB of residue 142
Atom CA of residue 411
Atom C of residue 587
Atom N of residue 469
ILE
Atom C of residue 670
Atom CD of residue 543
Atom CG of residue 360
Atom C of residue 648
Atom NZ of residue 136
Atom C of residue 36
Atom CB of residue 674
Atom N of residue 267
Atom CA of residue 376
Atom CG of residue 438
Atom O of residue 142
Atom CG of residue 616
Atom O of residue 497
Atom CB of residue 343
Atom O of residue 305
Atom C of residue 78
Atom CB of residue 127
Atom C of residue 422
Atom CG of residue 79
GLY
THR
Atom OH of residue 78
Atom O of residue 333
Atom CG of residue 621
Atom CD1 of residue 33
Atom N of residue 129
LYS
Atom C of residue 395
Atom C of residue 454
Atom CB of residue 300
Atom O of residue 348
Atom CG1 of residue 285
Atom CG1 of residue 368
Atom C of residue 309
Atom CB of residue 92
Atom ND1 of residue 512
Atom CG2 of residue 178
Atom C of residue 602
Atom N of residue 243
Atom CA of residue 442
Atom CG2 of residue 115
Atom N of residue 355
Atom N of residue 269
Atom NH1 of residue 295
Atom O of residue 193
Atom N of residue 474
Atom N of residue 75
Atom CZ of residue 183
PRO
Atom CB of residue 160
MET
SER
GLU
Atom CG of residue 45
Atom N of residue 489
Atom CA of residue 188
Atom CG1 of residue 291
Atom CE2 of residue 138
Atom CA of residue 50
Atom OG1 of residue 407
Atom C of residue 631
Atom CZ of residue 184
Atom CG1 of residue 263
Atom CB of residue 188
Atom C of residue 91
Atom CD of residue 1
Atom CG2 of residue 441
Atom CB of residue 249
Atom CA of residue 434
Atom CE1 of residue 207
Atom C of residue 528
VAL
Atom N of residue 258
Atom O of residue 419
Atom CD1 of residue 134
Atom O of residue 271
Atom CB of residue 110
Atom CA of residue 79
Atom CB of residue 670
Atom CB of residue 327
Atom C of residue 447
Atom O of residue 566
Atom C of residue 69
Atom C of residue 305
Atom C of residue 318
Atom CA of residue 79
Atom CG of residue 159
Atom N of residue 323
Atom CD of residue 4
Atom N of residue 255
Atom CE1 of residue 429
Atom C of residue 280
Atom OG of residue 127
Atom CG of residue 149
Atom CD2 of residue 295
Atom C of residue 211
Atom CA of residue 349
ARG
Atom CD2 of residue 557
Atom CB of residue 20
Atom O of residue 272
Atom C of residue 9
Atom CA of residue 224
Atom NE of residue 458
Atom OD1 of residue 15
ASN
Atom CG2 of residue 81
Atom N of residue 96
LEU
Atom OD1 of residue 318
Atom CG of residue 429
Atom CD of residue 607
Atom N of residue 111
THR
Atom CD2 of residue 156
Atom O of residue 671
Atom CB of residue 246
Atom C of residue 263
Atom CB of residue 553
Atom CG of residue 123
Atom N of residue 89
ALA
Atom NE2 of residue 322
SER
Atom O of residue 91
Atom CA of residue 597
Atom CG of residue 237
Atom CA of residue 154
Atom C of residue 533
Atom C of residue 313
Atom CB of residue 358
Atom O of residue 183
Atom N of residue 286
Atom CA of residue 363
Atom CA of residue 627
Atom O of residue 528
ASN
Atom O of residue 229
Atom N of residue 277
Atom CG of residue 183
Atom OG1 of residue 281
Atom CG of residue 142
Atom CD2 of residue 417
Atom O of residue 587
Atom OG of residue 237
Atom CD of residue 101
SER
PHE
Atom CB of residue 78
Atom CD of residue 360
THR
Atom CG of residue 404
Atom CB of residue 348
Atom O of residue 648
Atom CB of residue 438
Atom N of residue 143
Atom CD1 of residue 263
Atom N of residue 498
Atom N of residue 250
Atom CA of residue 206
Atom CD1 of residue 483
LYS
Atom C of residue 300
Atom C of residue 146
THR
Atom CA of residue 469
Atom O of residue 280
Atom CD1 of residue 507
Atom CB of residue 173
Atom C of residue 479
Atom CB of residue 87
Atom CB of residue 374
Atom N of residue 291
Atom C of residue 104
Atom OG of residue 74
LEU
Atom CD of residue 59
Atom O of residue 202
Atom O of residue 395
GLU
Atom NE1 of residue 259
Atom O of residue 168
Atom N of residue 193
SER
Atom CA of residue 637
Atom CA of residue 96
Atom N of residue 123
Atom CA of residue 643
Atom CA of residue 210
Atom CA of residue 164
PRO
Atom O of residue 309
Atom CB of residue 392
Atom O of residue 118
Atom CG of residue 160
Atom CB of residue 271
Atom C of residue 110
Atom CG of residue 141
Atom N of residue 570
ALA
GLY
Atom NE1 of residue 33
Atom CA of residue 523
Atom O of residue 670
Atom CD2 of residue 371
Atom CG2 of residue 291
Atom O of residue 36
Atom CA of residue 226
Atom O of residue 631
Atom SD of residue 201
Atom C of residue 424
Atom O of residue 91
Atom ND1 of residue 442
Atom OG of residue 249
Atom N of residue 306
Atom C of residue 221
Atom CZ of residue 318
Atom CG1 of residue 415
Atom N of residue 137
Atom CD2 of residue 207
Atom N of residue 420
Atom CA of residue 653
Atom C of residue 295
LEU
Atom CG of residue 398
ARG
Atom CB of residue 587
Atom CA of residue 101
Atom CG of residue 339
Atom N of residue 301
Atom O of residue 447
Atom CA of residue 129
Atom CB of residue 648
Atom CE of residue 105
Atom O of residue 305
Atom C of residue 178
Atom CA of residue 339
Atom NE2 of residue 381
Atom CA of residue 538
GLY
Atom CB of residue 434
GLU
Atom C of residue 254
Atom C of residue 549
Atom N of residue 92
Atom O of residue 479
Atom CD of residue 616
Atom CB of residue 104
Atom N of residue 232
Atom CA of residue 28
Atom CA of residue 165
Atom C of residue 79
Atom N of residue 176
Atom CG of residue 543
Atom NH2 of residue 22
VAL
Atom O of residue 211
Atom N of residue 334
Atom CD of residue 159
Atom CG1 of residue 115
Atom CD of residue 621
Atom N of residue 442
Atom CD of residue 429
ILE
Atom C of residue 387
Atom CB of residue 528
Atom CG2 of residue 368
Atom OH of residue 183
Atom CD2 of residue 512
Atom CB of residue 376
Atom CG of residue 87
Atom O of residue 406
Atom CB of residue 349
Atom O of residue 263
Atom ND1 of residue 553
Atom OG1 of residue 20
LEU
Atom CE1 of residue 417
Atom N of residue 319
ALA
Atom CG of residue 343
Atom CD1 of residue 45
Atom CG of residue 327
Atom O of residue 422
Atom CD of residue 404
VAL
Atom O of residue 69
Atom CD2 of residue 134
Atom O of residue 146
CYS
LEU
Atom NH2 of residue 295
THR
Atom CE2 of residue 429
Atom O of residue 454
Atom CB of residue 188
Atom OD1 of residue 149
Atom CB of residue 566
Atom CA of residue 420
Atom O of residue 313
Atom CG2 of residue 281
Atom C of residue 237
Atom N of residue 273
Atom N of residue 128
ILE
Atom OD2 of residue 15
Atom CB of residue 154
Atom O of residue 53
LEU
Atom CA of residue 518
Atom NH2 of residue 657
Atom CA of residue 386
Atom CG2 of residue 415
Atom CD2 of residue 507
Atom NE1 of residue 156
Atom OE1 of residue 84
Atom CA of residue 197
Atom CG of residue 173
Atom O of residue 549
Atom CB of residue 229
Atom OD1 of residue 146
Atom CG of residue 374
THR
Atom CA of residue 71
Atom CD1 of residue 142
Atom CE1 of residue 379
Atom O of residue 338
Atom CD1 of residue 123
Atom C of residue 206
Atom CB of residue 50
Atom N of residue 494
Atom CG1 of residue 392
Atom CA of residue 364
LYS
Atom N of residue 119
Atom O of residue 318
ASP
Atom SD of residue 398
Atom CA of residue 102
Atom CB of residue 101
Atom CB of residue 310
Atom O of residue 64
Atom CE of residue 360
Atom O of residue 592
Atom CD1 of residue 371
Atom C of residue 322
Atom CA of residue 242
Atom CG of residue 348
Atom CA of residue 391
Atom CG of residue 115
Atom CZ of residue 458
Atom CA of residue 598
Atom NE2 of residue 438
CYS
GLU
Atom CB of residue 680
Atom C of residue 637
Atom CD2 of residue 381
ARG
Atom CB of residue 91
Atom CD2 of residue 483
Atom OE1 of residue 1
Atom C of residue 210
Atom CG of residue 607
Atom CA of residue 255
Atom C of residue 489
Atom O of residue 221
Atom CB of residue 164
LEU
Atom CA of residue 401
Atom C of residue 224
Atom CG of residue 92
Atom CG of residue 406
GLY
Atom CA of residue 269
GLY
Atom CD1 of residue 339
Atom C of residue 363
Atom CA of residue 672
Atom N of residue 675
LYS
Atom N of residue 310
Atom CD of residue 226
GLU
Atom C of residue 22
Atom O of residue 300
Atom N of residue 184
Atom CA of residue 502
Atom CA of residue 561
Atom CA of residue 267
Atom O of residue 78
Atom C of residue 197
Atom CZ of residue 138
Atom CA of residue 169
Atom CG1 of residue 271
Atom N of residue 617
Atom CE1 of residue 78
VAL
Atom C of residue 74
Atom N of residue 425
Atom SG of residue 358
Atom CG of residue 587
Atom OE1 of residue 4
Atom C of residue 469
Atom O of residue 79
Atom CB of residue 129
Atom CG of residue 648
Atom C of residue 291
Atom NZ of residue 105
Atom CB of residue 631
Atom CA of residue 246
Atom C of residue 134
Atom CA of residue 354
Atom NE of residue 59
Atom OE1 of residue 621
Atom CE2 of residue 33
TYR
Atom C of residue 627
Atom N of residue 37
Atom CD1 of residue 368
Atom CD of residue 364
Atom CG of residue 376
Atom O of residue 295
Atom O of residue 110
GLU
Atom C of residue 263
Atom N of residue 156
Atom CB of residue 570
Atom CG of residue 197
Atom CB of residue 602
Atom CA of residue 355
Atom CB of residue 193
Atom C of residue 202
Atom CA of residue 385
Atom CB of residue 422
ASN
Atom CA of residue 344
Atom CD1 of residue 259
Atom N of residue 184
Atom CB of residue 305
Atom O of residue 597
Atom CE of residue 201
Atom N of residue 54
Atom OG of residue 188
Atom CB of residue 338
Atom CA of residue 216
Atom N of residue 296
Atom C of residue 523
Atom CB of residue 454
Atom OE1 of residue 543
Atom O of residue 387
Atom CD of residue 188
Atom O of residue 9
Atom OE2 of residue 84
Atom CG of residue 566
Atom CA of residue 612
Atom CB of residue 401
Atom O of residue 254
Atom CD of residue 237
Atom OD2 of residue 146
Atom CG of residue 104
Atom CE2 of residue 379
SER
Atom CA of residue 111
Atom CA of residue 328
Atom OG of residue 154
Atom CA of residue 463
Atom CA of residue 133
Atom OE1 of residue 275
Atom CG of residue 411
Atom C of residue 643
Atom OE1 of residue 429
CYS
Atom CB of residue 197
Atom OG of residue 50
Atom CG of residue 528
Atom CA of residue 494
Atom CD of residue 87
Atom CD1 of residue 406
Atom O of residue 178
Atom CA of residue 118
Atom CA of residue 437
Atom CG of residue 442
Atom NE2 of residue 417
ALA
Atom O of residue 469
Atom C of residue 102
Atom CD of residue 327
Atom CB of residue 592
Atom N of residue 405
Atom CB of residue 74
Atom CA of residue 333
Atom N of residue 264
Atom CG of residue 553
Atom CD2 of residue 123
Atom C of residue 518
Atom O of residue 206
Atom N of residue 147
Atom CA of residue 323
Atom CA of residue 123
Atom NE2 of residue 1
Atom OD2 of residue 318
Atom CA of residue 286
Atom CB of residue 386
Atom CB of residue 280
Atom N of residue 70
Atom CB of residue 364
LYS
Atom CB of residue 318
Atom O of residue 533
Atom C of residue 281
Atom CB of residue 197
Atom C of residue 71
ALA
Atom CD1 of residue 115
ALA
Atom O of residue 237
Atom OD1 of residue 343
Atom CZ of residue 429
Atom CG1 of residue 310
ASN
GLY
Atom CA of residue 474
Atom NH1 of residue 458
Atom CA of residue 54
Atom CG of residue 680
Atom O of residue 637
Atom CB of residue 28
PHE
LYS
Atom CD2 of residue 45
Atom CG of residue 101
GLN
Atom CG of residue 164
Atom N of residue 65
Atom N of residue 508
Atom N of residue 323
Atom OH of residue 138
Atom C of residue 612
Atom CG1 of residue 401
Atom CD1 of residue 173
Atom C of residue 78
Atom O of residue 224
Atom CE1 of residue 512
Atom C of residue 15
Atom N of residue 359
CYS
Atom NE2 of residue 4
Atom CG of residue 430
Atom O of residue 363
Atom N of residue 250
Atom CE2 of residue 156
Atom CZ of residue 648
Atom C of residue 391
Atom CD1 of residue 115
Atom CA of residue 258
Atom CD of residue 160
Atom CB of residue 328
Atom OG of residue 349
Atom CG2 of residue 20
Atom N of residue 658
Atom CD2 of residue 142
Atom CZ of residue 59
TYR
Atom C of residue 434
Atom C of residue 105
Atom C of residue 155
Atom CE of residue 398
GLU
Atom OE1 of residue 607
Atom CG of residue 71
Atom N of residue 396
Atom CD of residue 670
Atom C of residue 385
Atom CD1 of residue 348
Atom OG of residue 129
Atom OD2 of residue 149
Atom C of residue 333
Atom C of residue 597
Atom O of residue 134
Atom N of residue 212
Atom N of residue 314
ASP
Atom CA of residue 250
Atom N of residue 484
Atom C of residue 502
Atom CE3 of residue 33
Atom C of residue 561
Atom N of residue 222
Atom O of residue 627
Atom N of residue 10
Atom CB of residue 447
Atom CB of residue 672
LYS
Atom CB of residue 169
Atom CD1 of residue 92
Atom CB of residue 479
Atom C of residue 653
Atom NE of residue 237
Atom CA of residue 291
Atom CG of residue 602
Atom CA of residue 245
Atom OE1 of residue 159
Atom ND1 of residue 193
Atom CA of residue 176
Atom CD2 of residue 339
Atom C of residue 415
Atom C of residue 474
Atom CA of residue 193
Atom O of residue 22
Atom C of residue 354
Atom C of residue 165
Atom O of residue 523
Atom NZ of residue 360
Atom CB of residue 242
Atom O of residue 197
Atom CB of residue 612
Atom N of residue 286
SER
VAL
Atom CG2 of residue 271
Atom CD2 of residue 438
ALA
Atom CE2 of residue 78
Atom CA of residue 232
Atom CA of residue 89
Atom CB of residue 355
Atom CB of residue 469
Atom OE2 of residue 543
Atom CB of residue 344
ARG
Atom CA of residue 277
Atom CG1 of residue 328
Atom CB of residue 216
Atom NE2 of residue 621
Atom O of residue 643
Atom N of residue 203
Atom O of residue 489
Atom CA of residue 306
Atom CA of residue 301
Atom CE2 of residue 259
Atom N of residue 369
Atom CG of residue 364
Atom CA of residue 143
Atom N of residue 179
ASN
Atom CA of residue 498
Atom NE2 of residue 275
Atom OG of residue 91
Atom CB of residue 442
Atom CA of residue 442
Atom C of residue 111
Atom CG of residue 188
Atom CB of residue 333
Atom CG of residue 229
Atom C of residue 62
THR
Atom C of residue 118
Atom C of residue 463
Atom C of residue 133
Atom CA of residue 425
Atom CB of residue 96
Atom O of residue 518
VAL
Atom CG1 of residue 386
Atom CG of residue 454
Atom CG of residue 592
Atom N of residue 85
Atom O of residue 291
Atom CG2 of residue 401
VAL
Atom CB of residue 226
Atom CB of residue 549
Atom O of residue 653
Atom N of residue 147
Atom O of residue 263
Atom C of residue 437
Atom CD2 of residue 553
Atom O of residue 71
Atom C of residue 245
Atom CZ of residue 379
Atom CD of residue 430
GLY
Atom N of residue 430
Atom O of residue 474
Atom CG of residue 74
Atom CG2 of residue 392
Atom NE of residue 160
Atom OD1 of residue 374
Atom CB of residue 533
Atom OG of residue 28
Atom CA of residue 334
Atom CG of residue 78
Atom NE1 of residue 371
Atom C of residue 672
Atom CD1 of residue 528
Atom CD2 of residue 115
Atom OG1 of residue 631
Atom NE2 of residue 512
Atom O of residue 15
Atom C of residue 154
Atom N of residue 111
Atom C of residue 115
Atom O of residue 538
Atom CB of residue 411
Atom O of residue 210
LEU
Atom CG2 of residue 310
Atom N of residue 328
Atom N of residue 78
Atom CE3 of residue 156
Atom C of residue 149
Atom O of residue 391
Atom CA of residue 341
SER
Atom CD1 of residue 376
Atom N of residue 296
Atom C of residue 349
Atom CD of residue 104
Atom C of residue 20
Atom O of residue 165
Atom CB of residue 206
Atom CE1 of residue 142
Atom N of residue 418
Atom OD2 of residue 343
Atom C of residue 45
GLU
Atom N of residue 448
Atom O of residue 434
Atom C of residue 50
THR
Atom N of residue 306
Atom CG of residue 318
Atom N of residue 189
Atom N of residue 339
Atom CE1 of residue 381
SER
Atom OE2 of residue 159
LYS
Atom CB of residue 269
Atom OE2 of residue 429
Atom CD of residue 71
Atom O of residue 111
Atom CB of residue 387
Atom CA of residue 137
LYS
Atom CB of residue 254
Atom C of residue 258
Atom NH2 of residue 458
Atom O of residue 61
Atom O of residue 100
Atom O of residue 74
Atom CB of residue 637
Atom O of residue 102
Atom OE2 of residue 607
SER
Atom C of residue 138
Atom O of residue 612
Atom CA of residue 93
Atom CE1 of residue 553
VAL
Atom C of residue 4
Atom C of residue 1
Atom CB of residue 286
Atom CB of residue 363
Atom CD of residue 164
Atom O of residue 385
Atom CG2 of residue 328
Atom O of residue 354
ASP
Atom OE1 of residue 87
Atom CD2 of residue 406
Atom O of residue 281
Atom NH1 of residue 59
Atom CA of residue 184
Atom N of residue 238
Atom CD of residue 101
Atom C of residue 360
Atom CG of residue 422
Atom OG1 of residue 242
Atom CE1 of residue 438
Atom NZ of residue 40
Atom N of residue 92
Atom C of residue 538
Atom C of residue 318
Atom CD2 of residue 348
Atom OG of residue 344
LEU
LEU
Atom O of residue 333
Atom ND1 of residue 229
Atom CG of residue 570
Atom O of residue 118
Atom N of residue 399
LEU
Atom CB of residue 627
Atom CA of residue 273
SER
Atom C of residue 129
Atom CZ of residue 237
Atom O of residue 245
Atom CB of residue 210
VAL
Atom O of residue 561
VAL
Atom CB of residue 474
Atom CE2 of residue 207
Atom CD1 of residue 566
Atom CE3 of residue 259
Atom CD2 of residue 173
Atom CB of residue 224
Atom OD2 of residue 374
LEU
Atom O of residue 463
Atom CG of residue 193
Atom CB of residue 523
Atom NE2 of residue 77
Atom C of residue 301
Atom N of residue 292
Atom CG of residue 226
Atom CG2 of residue 631
Atom N of residue 23
Atom CD1 of residue 271
Atom CB of residue 143
Atom C of residue 498
Atom CB of residue 147
Atom CG of residue 269
Atom C of residue 123
Atom CG of residue 670
GLU
Atom O of residue 415
Atom CD of residue 592
Atom N of residue 69
Atom CZ of residue 549
Atom N of residue 393
Atom CB of residue 420
Atom CB of residue 100
SER
Atom CG1 of residue 81
Atom CA of residue 296
Atom CD of residue 587
Atom CB of residue 643
Atom N of residue 135
SER
Atom CE1 of residue 339
Atom CG1 of residue 111
Atom O of residue 219
Atom CA of residue 128
Atom CE2 of residue 371
Atom CD1 of residue 648
Atom O of residue 105
Atom CA of residue 310
Atom CA of residue 70
Atom C of residue 364
ARG
Atom CG of residue 246
Atom O of residue 154
LEU
Atom CD of residue 197
Atom C of residue 123
Atom NE2 of residue 442
Atom O of residue 502
Atom CB of residue 489
Atom CB of residue 341
Atom CA of residue 119
Atom CD2 of residue 376
SER
SER
THR
Atom CB of residue 232
Atom N of residue 75
Atom CB of residue 518
Atom CB of residue 334
Atom C of residue 323
PHE
Atom N of residue 189
Atom CA of residue 405
Atom C of residue 401
Atom CA of residue 675
PRO
Atom O of residue 133
Atom C of residue 381
Atom C of residue 429
Atom CA of residue 203
Atom N of residue 72
Atom CG2 of residue 386
Atom CG of residue 387
GLU
Atom CG of residue 254
Atom CZ of residue 160
Atom NE2 of residue 87
SER
Atom O of residue 437
Atom N of residue 380
Atom CG1 of residue 280
Atom OD1 of residue 422
Atom CD2 of residue 528
Atom N of residue 513
Atom CD1 of residue 143
Atom CG of residue 216
Atom N of residue 622
Atom CD of residue 469
Atom OG1 of residue 286
Atom OE1 of residue 164
ALA
Atom CD of residue 454
Atom C of residue 137
Atom O of residue 349
Atom C of residue 81
Atom NH2 of residue 680
Atom NE of residue 104
Atom N of residue 282
Atom OD2 of residue 70
Atom CB of residue 165
GLY
Atom CB of residue 102
Atom N of residue 311
Atom N of residue 435
Atom N of residue 392
Atom CB of residue 310
Atom CA of residue 184
HIS
Atom CA of residue 617
Atom C of residue 159
Atom CG of residue 355
Atom CZ2 of residue 33
Atom N of residue 544
Atom CB of residue 671
Atom CD2 of residue 566
Atom CA of residue 37
Atom C of residue 173
Atom CE1 of residue 115
Atom CB of residue 61
Atom OD1 of residue 570
Atom CA of residue 75
MET
Atom CB of residue 250
Atom O of residue 323
Atom C of residue 89
Atom CZ of residue 411
Atom N of residue 344
Atom CA of residue 65
Atom CB of residue 219
Atom O of residue 129
ILE
Atom C of residue 675
Atom O of residue 258
Atom C of residue 291
Atom CA of residue 314
ILE
THR
Atom C of residue 28
Atom O of residue 1
Atom O of residue 123
Atom CA of residue 508
THR
Atom O of residue 138
LYS
Atom N of residue 169
Atom CG of residue 224
Atom CB of residue 193
Atom C of residue 328
Atom CB of residue 354
Atom CD1 of residue 318
Atom O of residue 4
Atom O of residue 360
Atom CB of residue 273
Atom CG2 of residue 242
Atom CD of residue 197
Atom CZ of residue 207
Atom O of residue 50
ALA
Atom CG of residue 479
Atom C of residue 438
Atom C of residue 100
Atom O of residue 498
Atom O of residue 77
Atom O of residue 123
Atom N of residue 603
Atom CG of residue 206
Atom N of residue 276
Atom CD2 of residue 193
Atom N of residue 562
Atom C of residue 176
Atom CB of residue 255
Atom CA of residue 222
GLY
Atom N of residue 349
Atom C of residue 344
Atom C of residue 494
Atom CD2 of residue 229
Atom CD2 of residue 92
Atom CB of residue 54
Atom N of residue 101
Atom CE1 of residue 406
Atom CA of residue 484
Atom CD of residue 269
Atom C of residue 442
ASN
Atom CE2 of residue 339
Atom CB of residue 111
Atom CB of residue 306
Atom C of residue 128
Atom CG of residue 310
Atom N of residue 459
Atom CB of residue 653
Atom CA of residue 264
Atom N of residue 638
Atom O of residue 40
Atom CB of residue 184
Atom CB of residue 502
Atom OE1 of residue 587
Atom O of residue 318
Atom CG of residue 210
Atom CD1 of residue 489
Atom CA of residue 10
Atom CG1 of residue 474
Atom CD2 of residue 648
Atom OG1 of residue 61
Atom NH1 of residue 237
Atom CG of residue 533
Atom N of residue 375
Atom CD of residue 680
Atom CB of residue 118
Atom CG1 of residue 232
Atom CB of residue 463
Atom CG of residue 250
Atom CA of residue 359
Atom CA of residue 301
Atom O of residue 115
Atom N of residue 364
Atom OE1 of residue 670
Atom C of residue 430
Atom CB of residue 385
Atom N of residue 416
TYR
Atom O of residue 675
Atom C of residue 226
Atom N of residue 632
Atom N of residue 272
Atom O of residue 291
Atom CB of residue 314
Atom O of residue 20
Atom CA of residue 658
Atom CA of residue 155
Atom O of residue 45
Atom C of residue 386
Atom CA of residue 85
Atom O of residue 88
Atom CG of residue 193
Atom CB of residue 119
Atom N of residue 16
SER
Atom CA of residue 147
Atom O of residue 81
Atom OE1 of residue 197
Atom O of residue 426
VAL
Atom N of residue 431
Atom N of residue 608
Atom CA of residue 396
Atom CA of residue 250
Atom O of residue 149
Atom N of residue 106
Atom CG of residue 549
Atom O of residue 364
Atom CB of residue 133
Atom CE2 of residue 142
Atom CD1 of residue 216
Atom NH2 of residue 59
VAL
Atom CE1 of residue 193
Atom CG of residue 469
Atom CZ3 of residue 33
Atom OE1 of residue 454
Atom CG of residue 627
Atom CD of residue 387
Atom O of residue 137
Atom CE2 of residue 115
Atom CA of residue 202
Atom CA of residue 296
Atom CA of residue 111
Atom CA of residue 101
Atom CB of residue 437
Atom O of residue 89
Atom CG of residue 306
Atom OG of residue 65
LEU
Atom CZ2 of residue 156
Atom O of residue 401
LEU
Atom CB of residue 70
Atom SD of residue 246
Atom CG of residue 96
Atom ND1 of residue 602
Atom CD1 of residue 355
Atom C of residue 296
Atom CG of residue 123
Atom O of residue 429
Atom CE of residue 101
Atom CG1 of residue 523
Atom CA of residue 286
Atom OG of residue 420
Atom CA of residue 306
Atom CG of residue 143
Atom CA of residue 189
Atom CD2 of residue 442
Atom CB of residue 301
Atom CD1 of residue 411
Atom O of residue 442
Atom OD2 of residue 422
Atom N of residue 51
Atom N of residue 529
Atom CD of residue 612
Atom CA of residue 369
Atom NH1 of residue 160
Atom C of residue 617
Atom CD1 of residue 314
Atom O of residue 28
Atom C of residue 658
Atom CD of residue 206
Atom CB of residue 538
Atom N of residue 2
Atom CG of residue 643
Atom CG2 of residue 286
Atom O of residue 176
Atom CA of residue 328
Atom N of residue 139
Atom CB of residue 37
Atom CZ2 of residue 259
Atom C of residue 92
Atom CD2 of residue 318
Atom NE of residue 680
Atom CG of residue 118
MET
GLU
Atom N of residue 5
Atom CA of residue 238
Atom CB of residue 396
Atom CG of residue 273
Atom CE of residue 188
Atom O of residue 301
Atom O of residue 128
Atom CB of residue 258
Atom CD of residue 310
LEU
Atom CG of residue 425
Atom CG of residue 518
Atom CG of residue 334
Atom C of residue 508
VAL
Atom NE1 of residue 566
Atom CG2 of residue 333
Atom CG of residue 413
Atom CB of residue 597
Atom C of residue 202
Atom C of residue 339
Atom CD2 of residue 65
Atom O of residue 159
GLU
LEU
PRO
Atom O of residue 430
Atom CG of residue 219
Atom CB of residue 675
THR
Atom C of residue 184
Atom N of residue 350
Atom CA of residue 179
Atom N of residue 21
Atom CG of residue 184
Atom OE2 of residue 144
Atom CG2 of residue 280
Atom CB of residue 222
Atom NE of residue 592
Atom CA of residue 448
HIS
Atom CA of residue 69
Atom C of residue 286
SER
ASN
ARG
Atom O of residue 328
CYS
Atom NH2 of residue 237
Atom N of residue 82
Atom C of residue 189
Atom CA of residue 276
Atom CG of residue 301
Atom N of residue 116
LEU
Atom OG1 of residue 385
Atom N of residue 150
Atom O of residue 173
ALA
Atom CG of residue 277
Atom C of residue 376
Atom OD1 of residue 533
Atom CE2 of residue 406
Atom CB of residue 498
Atom C of residue 264
Atom N of residue 124
Atom CD2 of residue 602
Atom CG of residue 165
Atom O of residue 658
Atom CZ of residue 142
Atom C of residue 59
GLN
Atom N of residue 46
Atom OE2 of residue 670
Atom CD of residue 627
Atom CB of residue 10
Atom CE3 of residue 371
Atom CA of residue 323
GLY
Atom N of residue 155
Atom CD of residue 111
Atom C of residue 359
Atom CB of residue 426
Atom OG of residue 396
Atom CZ of residue 339
Atom CD1 of residue 111
Atom OG1 of residue 70
Atom CE1 of residue 229
Atom O of residue 104
Atom CA of residue 418
Atom N of residue 503
Atom NZ of residue 101
Atom CG2 of residue 523
ALA
Atom C of residue 405
Atom CG2 of residue 474
Atom O of residue 202
Atom CG2 of residue 232
Atom O of residue 381
Atom CG of residue 147
Atom CG of residue 489
Atom C of residue 250
Atom CZ3 of residue 156
Atom CG of residue 197
Atom CA of residue 254
ARG
Atom CG of residue 354
Atom C of residue 87
Atom O of residue 140
CYS
Atom CG of residue 314
Atom CB of residue 296
Atom ND1 of residue 643
Atom N of residue 145
Atom C of residue 242
Atom O of residue 286
Atom N of residue 64
Atom CE of residue 246
Atom CD of residue 479
Atom O of residue 438
Atom CD of residue 143
Atom CB of residue 189
Atom CD1 of residue 96
Atom CA of residue 92
Atom CE1 of residue 442
Atom CD of residue 210
Atom NE2 of residue 164
ASP
Atom O of residue 344
Atom CE of residue 494
Atom N of residue 365
Atom OG of residue 119
Atom NH2 of residue 160
Atom CA of residue 212
Atom O of residue 617
Atom NE2 of residue 553
Atom CD of residue 518
Atom CD2 of residue 216
Atom CD2 of residue 411
Atom CH2 of residue 33
Atom CD of residue 77
Atom NE2 of residue 454
Atom C of residue 323
Atom OE1 of residue 410
Atom CG of residue 37
Atom O of residue 226
SER
Atom NE2 of residue 197
Atom N of residue 41
Atom CB of residue 323
Atom NE2 of residue 587
MET
Atom OE1 of residue 387
Atom N of residue 361
Atom CB of residue 301
Atom CE1 of residue 648
Atom CB of residue 137
Atom N of residue 402
Atom C of residue 369
Atom O of residue 433
Atom OD1 of residue 224
VAL
Atom CA of residue 264
Atom OD2 of residue 570
Atom N of residue 464
Atom CA of residue 399
Atom CD of residue 334
Atom CD2 of residue 355
Atom CD1 of residue 123
Atom O of residue 231
Atom NZ of residue 188
Atom N of residue 130
LEU
Atom CD1 of residue 118
Atom O of residue 339
Atom CD of residue 301
Atom N of residue 160
Atom OG1 of residue 538
Atom CB of residue 442
Atom CA of residue 135
CYS
Atom CA of residue 82
Atom C of residue 207
LEU
Atom C of residue 420
Atom CG of residue 597
Atom CB of residue 296
Atom CB of residue 140
GLU
Atom CD of residue 165
Atom CB of residue 658
Atom OE1 of residue 206
GLU
GLY
Atom N of residue 423
Atom O of residue 405
Atom CA of residue 435
TYR
Atom CD of residue 549
Atom C of residue 306
Atom O of residue 92
Atom CA of residue 23
GLY
Atom CE1 of residue 318
Atom CA of residue 622
Atom NE of residue 269
Atom CA of residue 344
CYS
Atom C of residue 396
Atom OD1 of residue 273
Atom CZ of residue 592
Atom N of residue 129
Atom CA of residue 292
Atom NE of residue 310
Atom CA of residue 393
Atom O of residue 376
Atom CB of residue 212
Atom CB of residue 179
Atom O of residue 264
ALA
Atom N of residue 177
Atom CZ2 of residue 371
Atom N of residue 324
Atom C of residue 448
Atom OE2 of residue 410
Atom CB of residue 202
Atom ND2 of residue 533
Atom CB of residue 425
ALA
Atom CD of residue 250
Atom O of residue 359
Atom C of residue 484
Atom CG1 of residue 203
Atom CA of residue 431
Atom CA of residue 364
Atom CB of residue 430
Atom CE2 of residue 566
Atom CG of residue 612
Atom CG1 of residue 675
Atom CZ of residue 115
Atom CA of residue 459
Atom NE2 of residue 229
Atom OD1 of residue 354
Atom O of residue 87
Atom CB of residue 264
Atom N of residue 292
CYS
Atom CD1 of residue 184
Atom O of residue 242
ARG
Atom CB of residue 286
Atom CD of residue 193
Atom CA of residue 513
Atom CA of residue 16
Atom N of residue 329
Atom CA of residue 638
Atom CG of residue 133
Atom O of residue 189
Atom CB of residue 81
Atom N of residue 382
Atom CD of residue 147
Atom CB of residue 116
Atom C of residue 286
Atom CA of residue 100
Atom O of residue 386
Atom O of residue 250
Atom C of residue 164
Atom C of residue 85
ASN
Atom C of residue 69
Atom N of residue 345
Atom OG1 of residue 653
Atom C of residue 147
Atom CA of residue 375
Atom CZ of residue 680
Atom OG1 of residue 437
Atom OH of residue 142
Atom O of residue 59
Atom CA of residue 380
Atom C of residue 418
Atom N of residue 430
Atom CB of residue 46
Atom N of residue 281
Atom CD2 of residue 489
Atom CD of residue 219
Atom CA of residue 349
Atom CZ3 of residue 259
Atom CG1 of residue 333
Atom N of residue 439
Atom CB of residue 75
LYS
Atom C of residue 238
Atom C of residue 344
Atom OE1 of residue 210
Atom CD1 of residue 306
Atom O of residue 508
Atom O of residue 494
Atom CD of residue 277
Atom OG of residue 212
Atom OG1 of residue 54
Atom CZ of residue 406
Atom N of residue 571
Atom CA of residue 82
HIS
Atom CG of residue 255
Atom CA of residue 311
VAL
Atom CD1 of residue 474
Atom N of residue 411
Atom OE1 of residue 197
Atom CA of residue 392
Atom N of residue 227
Atom CA of residue 282
Atom N of residue 29
Atom O of residue 484
Atom C of residue 92
Atom O of residue 296
MET
Atom CB of residue 135
Atom CG of residue 222
Atom OE1 of residue 627
Atom NE2 of residue 387
ASP
Atom CG of residue 137
Atom N of residue 174
Atom CG2 of residue 70
Atom OD2 of residue 224
Atom CB of residue 433
Atom C of residue 119
Atom C of residue 246
Atom CA of residue 272
Atom CA of residue 80
Atom OG of residue 264
Atom C of residue 276
Atom CB of residue 89
Atom CD2 of residue 123
Atom C of residue 80
Atom O of residue 207
Atom C of residue 149
Atom CG of residue 258
Atom CA of residue 632
Atom CG of residue 498
Atom CD2 of residue 96
Atom CE1 of residue 602
Atom C of residue 442
GLN
Atom CA of residue 562
Atom CD1 of residue 523
PRO
Atom N of residue 421
GLU
Atom OG of residue 296
Atom CB of residue 617
Atom C of residue 399
Atom OE1 of residue 518
SER
Atom CA of residue 145
Atom CE1 of residue 489
Atom C of residue 328
Atom CA of residue 416
VAL
Atom O of residue 323
Atom O of residue 306
Atom N of residue 480
Atom N of residue 70
Atom CB of residue 344
Atom CD2 of residue 643
Atom C of residue 33
Atom SG of residue 301
Atom O of residue 85
Atom CD of residue 37
PRO
Atom O of residue 184
Atom O of residue 147
Atom CG of residue 179
Atom CB of residue 82
Atom CA of residue 292
Atom C of residue 232
Atom CE of residue 334
Atom CZ of residue 269
GLY
Atom N of residue 671
Atom CG2 of residue 385
Atom NH1 of residue 592
Atom ND1 of residue 435
Atom CA of residue 51
Atom CB of residue 23
Atom CD2 of residue 118
Atom CD1 of residue 133
Atom OE1 of residue 301
Atom C of residue 216
PHE
Atom N of residue 588
Atom O of residue 286
Atom N of residue 387
Atom C of residue 339
Atom OG of residue 10
Atom CE2 of residue 648
Atom CB of residue 292
Atom CA of residue 529
Atom O of residue 69
Atom CE3 of residue 566
Atom C of residue 393
Atom N of residue 238
Atom CA of residue 350
Atom CG2 of residue 437
Atom C of residue 197
Atom NH2 of residue 250
Atom OG of residue 658
ILE
Atom CD of residue 255
PRO
Atom O of residue 80
Atom CB of residue 405
MET
Atom O of residue 155
Atom CG2 of residue 538
Atom CE1 of residue 411
Atom C of residue 355
Atom O of residue 396
Atom N of residue 455
Atom CZ of residue 310
Atom O of residue 193
Atom C of residue 212
Atom CB of residue 111
Atom O of residue 418
ARG
Atom O of residue 328
Atom CB of residue 416
Atom CH2 of residue 156
LEU
Atom OE1 of residue 612
Atom O of residue 369
Atom NE of residue 549
Atom CA of residue 62
Atom CG1 of residue 202
Atom CB of residue 264
Atom CA of residue 124
Atom CB of residue 359
Atom C of residue 622
Atom O of residue 238
Atom CA of residue 281
Atom C of residue 188
Atom CB of residue 508
Atom CG2 of residue 675
Atom N of residue 88
Atom CE of residue 143
Atom C of residue 264
Atom CG of residue 426
Atom C of residue 380
Atom CB of residue 123
Atom NE2 of residue 193
Atom N of residue 443
Atom CB of residue 203
Atom CG2 of residue 111
Atom CZ of residue 306
Atom N of residue 243
Atom CB of residue 106
Atom CB of residue 494
Atom CD of residue 258
Atom CG of residue 286
SER
Atom CG2 of residue 54
Atom CD of residue 498
Atom CA of residue 571
Atom CA of residue 21
SER
Atom CB of residue 394
Atom OE2 of residue 206
Atom OH of residue 184
Atom CA of residue 2
Atom CD of residue 222
Atom O of residue 164
Atom OE2 of residue 197
Atom CA of residue 139
SER
Atom N of residue 334
Atom C of residue 314
Atom OG of residue 89
Atom CA of residue 5
Atom CA of residue 298
Atom C of residue 431
Atom C of residue 364
Atom CB of residue 250
Atom OE1 of residue 219
Atom C of residue 311
Atom ND2 of residue 273
Atom CA of residue 150
Atom CB of residue 392
Atom C of residue 459
Atom ND2 of residue 354
Atom C of residue 638
Atom CB of residue 282
Atom N of residue 143
Atom CA of residue 116
Atom CA of residue 503
Atom O of residue 344
Atom CG of residue 135
Atom CA of residue 544
Atom C of residue 10
Atom C of residue 513
Atom C of residue 80
GLN
Atom NH1 of residue 680
Atom C of residue 82
Atom O of residue 232
Atom O of residue 399
ASN
Atom CA of residue 41
Atom CA of residue 319
Atom CA of residue 46
Atom C of residue 101
Atom CG1 of residue 81
Atom N of residue 386
Atom CG of residue 416
ASP
Atom CA of residue 130
Atom N of residue 475
SER
Atom O of residue 149
Atom N of residue 116
GLY
Atom C of residue 632
Atom N of residue 93
ALA
Atom N of residue 161
Atom CE2 of residue 318
Atom C of residue 184
Atom NE of residue 469
Atom O of residue 33
Atom C of residue 562
Atom CE of residue 37
Atom ND1 of residue 597
Atom CB of residue 16
Atom CA of residue 480
ASP
Atom ND1 of residue 65
Atom CD of residue 426
SER
Atom N of residue 81
Atom N of residue 157
Atom CA of residue 106
Atom CB of residue 184
Atom C of residue 23
Atom CG2 of residue 653
Atom C of residue 406
Atom CA of residue 464
Atom CE1 of residue 96
Atom NE of residue 165
Atom O of residue 276
Atom O of residue 216
Atom SG of residue 323
Atom NH1 of residue 269
Atom O of residue 339
Atom CA of residue 231
Atom OG of residue 447
Atom CG of residue 292
Atom CA of residue 365
Atom O of residue 246
HIS
Atom C of residue 296
Atom CA of residue 588
Atom N of residue 208
Atom CB of residue 51
Atom O of residue 420
Atom CE of residue 277
Atom CB of residue 306
Atom N of residue 377
Atom N of residue 534
Atom O of residue 197
Atom NE2 of residue 602
Atom O of residue 355
LEU
Atom C of residue 544
Atom OE2 of residue 627
Atom CB of residue 85
Atom CA of residue 402
Atom CB of residue 147
Atom NZ of residue 143
Atom CD1 of residue 179
Atom N of residue 554
Atom O of residue 92
Atom CB of residue 319
ALA
Atom CD of residue 78
Atom CA of residue 430
Atom CA of residue 361
Atom CB of residue 369
Atom C of residue 70
Atom N of residue 230
Atom CG2 of residue 61
Atom OG1 of residue 264
Atom CD2 of residue 133
Atom OE2 of residue 301
Atom O of residue 622
Atom N of residue 524
LEU
Atom OE2 of residue 612
Atom NH1 of residue 549
Atom CA of residue 156
Atom N of residue 438
THR
Atom N of residue 659
Atom O of residue 442
Atom O of residue 380
Atom CA of residue 608
Atom C of residue 273
Atom CA of residue 129
Atom N of residue 302
Atom O of residue 393
Atom N of residue 618
Atom C of residue 375
Atom CG2 of residue 189
Atom OE2 of residue 518
Atom NZ of residue 334
Atom NE of residue 250
Atom N of residue 207
Atom O of residue 184
Atom CE1 of residue 643
Atom N of residue 397
Atom NH1 of residue 310
Atom O of residue 212
Atom CG of residue 111
GLY
Atom OD1 of residue 425
Atom N of residue 60
Atom O of residue 588
Atom CB of residue 5
Atom OE2 of residue 210
Atom N of residue 287
Atom O of residue 101
Atom CG of residue 250
Atom O of residue 364
Atom O of residue 311
Atom OD1 of residue 416
Atom CZ3 of residue 371
Atom C of residue 349
Atom CG of residue 392
Atom O of residue 459
ILE
Atom OE1 of residue 193
Atom O of residue 119
Atom CG2 of residue 202
Atom O of residue 638
Atom CG of residue 282
Atom CB of residue 21
Atom CB of residue 484
ILE
Atom CE2 of residue 411
Atom CB of residue 2
Atom CB of residue 418
Atom N of residue 239
Atom C of residue 145
Atom O of residue 544
Atom CG1 of residue 508
Atom CB of residue 410
Atom CD of residue 139
Atom N of residue 676
Atom O of residue 513
Atom O of residue 264
Atom CB of residue 339
Atom CB of residue 41
Atom CA of residue 160
Atom N of residue 539
Atom N of residue 90
Atom CG of residue 319
Atom O of residue 431
ALA
Atom OE1 of residue 88
Atom N of residue 388
Atom CD1 of residue 137
Atom CB of residue 150
Atom CE of residue 258
Atom CD1 of residue 286
Atom N of residue 225
Atom CG of residue 433
ILE
Atom CA of residue 329
GLN
Atom C of residue 54
Atom N of residue 319
Atom OE1 of residue 498
Atom CZ of residue 165
LYS
Atom C of residue 503
Atom OE1 of residue 255
Atom CD2 of residue 306
Atom OE1 of residue 222
Atom O of residue 188
Atom CG of residue 405
Atom OE1 of residue 77
Atom CA of residue 174
Atom CG of residue 16
Atom C of residue 272
Atom CB of residue 350
Atom CD1 of residue 107
Atom CA of residue 147
Atom CZ of residue 469
Atom C of residue 608
Atom C of residue 281
Atom N of residue 165
Atom NH2 of residue 592
Atom CG of residue 435
Atom NZ of residue 277
Atom CD2 of residue 597
Atom N of residue 63
Atom CA of residue 430
THR
TRP
Atom CA of residue 177
Atom O of residue 10
Atom CA of residue 423
Atom CA of residue 268
Atom CH2 of residue 259
Atom N of residue 233
Atom OG of residue 75
Atom CG1 of residue 359
SER
ALA
Atom O of residue 349
Atom O of residue 74
Atom O of residue 70
LEU
Atom CA of residue 334
TRP
THR
Atom O of residue 80
Atom O of residue 375
Atom CD1 of residue 81
Atom CB of residue 399
Atom O of residue 145
Atom N of residue 628
SER
Atom CG of residue 494
Atom CG of residue 184
ASN
Atom CA of residue 238
Atom CA of residue 534
Atom CD2 of residue 314
GLN
Atom N of residue 198
Atom OE1 of residue 426
Atom CB of residue 92
PHE
Atom O of residue 562
ASN
Atom CZ2 of residue 566
HIS
Atom N of residue 355
PRO
Atom N of residue 119
Atom CE2 of residue 96
Atom CB of residue 276
Atom N of residue 217
ALA
Atom N of residue 112
Atom CD1 of residue 292
Atom C of residue 529
Atom O of residue 23
Atom O of residue 272
Atom CA of residue 439
Atom CA of residue 382
Atom N of residue 443
Atom N of residue 211
Atom OD1 of residue 135
Atom O of residue 608
Atom O of residue 281
Atom CB of residue 328
GLN
Atom CA of residue 345
Atom N of residue 120
Atom C of residue 480
Atom N of residue 654
Atom O of residue 81
Atom C of residue 464
Atom N of residue 519
Atom C of residue 334
Atom N of residue 356
Atom N of residue 185
Atom NE2 of residue 643
Atom CA of residue 72
Atom CA of residue 671
Atom CA of residue 455
Atom CB of residue 544
Atom C of residue 65
Atom CB of residue 130
Atom CG of residue 410
Atom N of residue 198
Atom CB of residue 149
Atom CA of residue 227
Atom O of residue 632
Atom CB of residue 156
Atom C of residue 143
Atom CB of residue 124
Atom CG1 of residue 296
Atom CD1 of residue 319
ALA
Atom C of residue 129
Atom CH2 of residue 371
Atom CD2 of residue 137
Atom CG1 of residue 369
Atom CB of residue 393
Atom CD of residue 433
Atom N of residue 247
Atom OD2 of residue 425
Atom C of residue 301
Atom CB of residue 622
Atom N of residue 124
Atom CG of residue 418
Atom NE2 of residue 219
Atom CD of residue 405
Atom CA of residue 421
Atom N of residue 134
Atom CA of residue 29
Atom N of residue 485
ARG
Atom N of residue 324
Atom OH of residue 411
Atom CA of residue 387
Atom N of residue 340
Atom CB of residue 361
Atom CD1 of residue 74
Atom OE2 of residue 79
SER
Atom CA of residue 88
Atom O of residue 296
ARG
PRO
Atom OG1 of residue 339
ASN
Atom CG of residue 116
Atom CA of residue 539
Atom CB of residue 380
SER
Atom CA of residue 112
Atom O of residue 529
Atom NH2 of residue 310
Atom CG of residue 306
Atom OXT of residue 212
Atom C of residue 111
Atom CG of residue 350
Atom CG2 of residue 359
Atom CB of residue 160
Atom C of residue 588
Atom N of residue 102
Atom CG2 of residue 46
Atom OG of residue 169
Atom CB of residue 245
Atom CB of residue 364
ASP
Atom OD2 of residue 416
Atom CG of residue 85
Atom CB of residue 435
Atom CG of residue 106
Atom CB of residue 459
THR
Atom O of residue 480
Atom OG of residue 147
Atom N of residue 203
Atom CD2 of residue 179
Atom CB of residue 638
Atom CB of residue 369
Atom SD of residue 282
Atom CB of residue 145
Atom CD of residue 344
Atom CG2 of residue 203
Atom N of residue 672
Atom CB of residue 311
Atom O of residue 273
Atom CA of residue 208
Atom CD1 of residue 392
ALA
Atom CB of residue 513
Atom CE1 of residue 597
Atom N of residue 265
Atom CG of residue 2
Atom N of residue 34
Atom CE2 of residue 489
Atom O of residue 129
Atom NZ of residue 37
Atom CZ3 of residue 566
Atom C of residue 259
Atom CD2 of residue 286
Atom CG2 of residue 81
Atom O of residue 54
Atom CG of residue 399
Atom CG1 of residue 189
Atom C of residue 75
Atom NH1 of residue 165
Atom NH2 of residue 269
Atom C of residue 177
Atom C of residue 423
Atom CA of residue 243
Atom N of residue 649
Atom NZ of residue 258
Atom C of residue 292
Atom CG of residue 124
Atom CZ of residue 250
Atom CD2 of residue 107
Atom N of residue 194
SER
Atom CB of residue 608
Atom N of residue 282
Atom CG2 of residue 508
Atom C of residue 277
PHE
Atom CB of residue 80
GLN
Atom CZ of residue 116
Atom OG of residue 5
Atom NE2 of residue 255
Atom CD of residue 410
Atom C of residue 268
Atom N of residue 613
Atom CB of residue 365
Atom OE2 of residue 193
Atom N of residue 24
Atom O of residue 414
Atom CA of residue 554
Atom O of residue 448
TYR
Atom ND2 of residue 135
Atom CB of residue 562
Atom N of residue 47
Atom OE2 of residue 222
Atom N of residue 593
Atom CA of residue 475
Atom CB of residue 139
Atom CB of residue 174
Atom CA of residue 116
Atom CA of residue 230
Atom N of residue 71
Atom CB of residue 375
Atom O of residue 314
Atom O of residue 464
Atom C of residue 90
Atom CA of residue 443
Atom CB of residue 430
Atom C of residue 72
Atom CB of residue 431
GLU
Atom CA of residue 386
Atom O of residue 65
Atom CG1 of residue 130
Atom CG of residue 51
Atom CD of residue 402
Atom CG1 of residue 149
Atom CB of residue 632
Atom CA of residue 654
Atom ND1 of residue 439
Atom OE2 of residue 498
Atom CG2 of residue 264
Atom C of residue 41
Atom CB of residue 382
Atom CA of residue 60
Atom O of residue 503
Atom CE1 of residue 306
Atom N of residue 11
Atom CB of residue 345
Atom CD of residue 16
Atom NZ of residue 69
Atom N of residue 297
LEU
Atom CG of residue 276
Atom CG2 of residue 296
Atom CA of residue 524
Atom N of residue 220
Atom CD of residue 494
Atom C of residue 227
Atom CD1 of residue 184
Atom CD of residue 306
Atom CA of residue 247
ALA
Atom SG of residue 21
GLU
Atom N of residue 246
Atom CG of residue 361
Atom CA of residue 302
THR
Atom CD of residue 85
ASP
Atom CB of residue 480
Atom N of residue 148
Atom C of residue 179
Atom C of residue 571
SER
Atom CA of residue 438
GLY
Atom O of residue 334
Atom CG1 of residue 380
Atom N of residue 644
Atom CD1 of residue 250
LEU
Atom N of residue 545
Atom CG of residue 150
Atom CG of residue 365
Atom CA of residue 161
Atom CB of residue 93
Atom CA of residue 618
SER
Atom C of residue 603
Atom CB of residue 29
Atom CA of residue 143
Atom CD2 of residue 319
TYR
Atom CB of residue 387
Atom C of residue 169
Atom CA of residue 388
Atom N of residue 138
Atom C of residue 37
Atom C of residue 238
Atom O of residue 143
Atom CG1 of residue 369
Atom OE2 of residue 426
Atom O of residue 301
VAL
Atom CG of residue 311
Atom CA of residue 157
Atom OH of residue 648
Atom CB of residue 402
Atom CD2 of residue 392
Atom CA of residue 659
VAL
Atom NH1 of residue 469
Atom C of residue 203
PRO
Atom C of residue 455
Atom CD2 of residue 292
Atom N of residue 407
Atom CB of residue 329
Atom N of residue 82
GLY
Atom CA of residue 119
Atom CG of residue 484
HIS
Atom CD1 of residue 116
Atom O of residue 177
Atom CA of residue 397
Atom O of residue 423
Atom N of residue 259
Atom CG2 of residue 369
Atom OE1 of residue 433
Atom N of residue 213
Atom CD of residue 350
Atom C of residue 425
GLY
Atom CZ of residue 96
LEU
Atom C of residue 269
Atom SD of residue 2
ARG
Atom CA of residue 287
Atom CG1 of residue 46
Atom C of residue 416
Atom N of residue 509
Atom N of residue 350
Atom NE2 of residue 435
Atom CD of residue 106
Atom C of residue 116
Atom NH2 of residue 549
THR
Atom CG of residue 92
SER
Atom CB of residue 243
GLY
Atom CD2 of residue 74
Atom CD1 of residue 51
Atom CA of residue 676
Atom CA of residue 377
PRO
Atom N of residue 265
Atom CG of residue 414
Atom CD1 of residue 189
Atom C of residue 21
Atom CB of residue 448
Atom CG1 of residue 622
Atom CA of residue 239
Atom C of residue 222
Atom C of residue 371
Atom CB of residue 208
Atom CG of residue 139
Atom CH2 of residue 566
Atom OG of residue 174
Atom N of residue 287
Atom N of residue 55
Atom O of residue 75
Atom N of residue 360
Atom O of residue 90
GLY
Atom C of residue 5
Atom CG of residue 430
Atom CG of residue 431
LEU
GLU
Atom OD1 of residue 150
Atom C of residue 243
Atom CG of residue 93
Atom CB of residue 272
Atom N of residue 499
Atom N of residue 315
Atom CG2 of residue 339
Atom CD of residue 66
Atom NH2 of residue 165
Atom CD of residue 124
Atom CA of residue 207
GLU
Atom CB of residue 503
Atom SG of residue 608
Atom C of residue 255
Atom OG of residue 345
Atom NE of residue 16
Atom OG of residue 329
Atom CA of residue 355
Atom O of residue 111
Atom OG of residue 160
Atom C of residue 443
Atom CG of residue 344
Atom O of residue 82
Atom CD2 of residue 250
Atom CG of residue 364
Atom C of residue 386
Atom N of residue 66
Atom N of residue 274
VAL
Atom CA of residue 649
Atom CG2 of residue 149
Atom O of residue 227
Atom N of residue 394
Atom OG1 of residue 459
Atom C of residue 161
Atom N of residue 681
Atom CG of residue 638
Atom CE of residue 282
Atom NH1 of residue 250
Atom NZ of residue 494
Atom CG of residue 513
Atom O of residue 571
Atom CA of residue 233
Atom CB of residue 464
Atom CA of residue 324
Atom N of residue 233
Atom O of residue 259
Atom CG of residue 632
Atom C of residue 193
Atom N of residue 62
Atom C of residue 554
Atom OG of residue 29
Atom CD1 of residue 418
Atom CG of residue 145
Atom N of residue 329
ALA
Atom OE1 of residue 405
Atom CE1 of residue 292
Atom O of residue 238
Atom N of residue 144
Atom N of residue 407
Atom O of residue 41
Atom OG1 of residue 382
Atom N of residue 427
Atom CD1 of residue 276
Atom NH2 of residue 469
Atom CA of residue 102
Atom CB of residue 529
Atom CA of residue 225
Atom O of residue 277
Atom CB of residue 88
TYR
Atom C of residue 143
Atom CA of residue 217
Atom CA of residue 185
SER
Atom CA of residue 282
Atom CE2 of residue 306
Atom O of residue 455
Atom OD1 of residue 361
Atom CA of residue 350
Atom CB of residue 231
Atom C of residue 654
Atom CD of residue 414
ALA
Atom CD of residue 92
Atom CA of residue 324
Atom CA of residue 211
Atom N of residue 83
Atom CA of residue 165
SER
Atom C of residue 157
Atom CB of residue 129
HIS
Atom CD1 of residue 369
Atom O of residue 334
Atom NE2 of residue 597
Atom CA of residue 120
SER
Atom SG of residue 375
Atom C of residue 96
Atom CG2 of residue 622
Atom N of residue 297
Atom C of residue 319
Atom C of residue 524
Atom CD1 of residue 72
Atom CA of residue 34
Atom O of residue 169
Atom CA of residue 628
Atom O of residue 371
Atom CG2 of residue 130
Atom O of residue 37
Atom CD2 of residue 184
Atom NE of residue 306
Atom ND1 of residue 247
Atom CG of residue 439
Atom CB of residue 571
Atom O of residue 394
Atom CE1 of residue 107
Atom CB of residue 324
PRO
Atom C of residue 74
PHE
Atom C of residue 618
Atom CG1 of residue 80
Atom O of residue 179
Atom CA of residue 681
Atom SD of residue 399
Atom OE1 of residue 145
Atom CA of residue 194
Atom CB of residue 287
Atom CA of residue 340
Atom CA of residue 55
Atom N of residue 190
Atom CA of residue 443
Atom CD2 of residue 116
Atom CA of residue 356
Atom O of residue 269
Atom C of residue 135
Atom SG of residue 562
Atom CD of residue 364
Atom O of residue 268
Atom C of residue 310
GLY
Atom NE2 of residue 433
Atom CG2 of residue 459
Atom CB of residue 377
Atom CD of residue 88
Chain B
Atom C of residue 534
Atom CD1 of residue 638
Atom C of residue 282
Atom CA of residue 198
Atom N of residue 166
Atom CA of residue 519
Atom CB of residue 185
Atom CB of residue 239
VAL
Atom N of residue 178
Atom CD1 of residue 46
Atom O of residue 416
Atom CB of residue 423
Atom C of residue 302
CYS
Atom NE of residue 106
Atom N of residue 232
SER
Atom OD1 of residue 513
Atom O of residue 654
Atom CA of residue 203
Atom CZ of residue 272
Atom OD1 of residue 480
Atom CA of residue 407
Atom CA of residue 603
Atom C of residue 160
Atom C of residue 324
Atom CB of residue 60
Atom C of residue 411
Atom O of residue 443
Atom CD of residue 431
Atom C of residue 388
ALA
GLU
Atom CA of residue 265
LEU
Atom O of residue 21
Atom C of residue 207
Atom OG1 of residue 448
Atom CD2 of residue 418
Atom O of residue 222
GLY
Atom OE2 of residue 405
Atom C of residue 475
Atom C of residue 174
LEU
Atom N of residue 550
Atom CG of residue 421
Atom N of residue 17
Atom CG of residue 247
Atom N of residue 76
Atom N of residue 42
Atom N of residue 335
Atom C of residue 250
Atom CD of residue 430
Atom O of residue 203
Atom CG2 of residue 324
VAL
Atom CD2 of residue 435
Atom ND2 of residue 150
Atom N of residue 567
ARG
Atom CE1 of residue 65
Atom CD2 of residue 93
ARG
Atom NE of residue 66
Atom CD1 of residue 484
Atom CG of residue 503
Atom OE1 of residue 344
Atom N of residue 609
Atom CZ of residue 489
ARG
Atom C of residue 345
Atom N of residue 194
Atom N of residue 112
Atom OE1 of residue 350
Atom C of residue 119
Atom O of residue 292
Atom CB of residue 233
Atom CA of residue 134
GLN
Atom CG of residue 387
THR
Atom N of residue 251
Atom CA of residue 189
Atom OE1 of residue 85
Atom N of residue 228
Atom CA of residue 71
Atom CD of residue 365
Atom N of residue 278
SER
Atom N of residue 376
Atom O of residue 319
Atom C of residue 438
Atom N of residue 340
Atom C of residue 198
Atom O of residue 143
Atom CB of residue 217
Atom CG2 of residue 380
Atom CD of residue 185
Atom O of residue 255
PRO
Atom OG of residue 243
Atom N of residue 530
Atom N of residue 150
GLY
Atom N of residue 598
Atom CG2 of residue 382
ASP
Atom CB of residue 324
Atom C of residue 539
Atom CA of residue 124
Atom OH of residue 306
Atom CG of residue 402
Atom C of residue 556
Atom C of residue 225
Atom C of residue 355
Atom CG2 of residue 80
Atom CE of residue 399
Atom O of residue 425
Atom O of residue 96
Atom O of residue 5
Atom CD2 of residue 72
Atom CB of residue 102
Atom O of residue 524
Atom CD1 of residue 311
Atom C of residue 130
Atom O of residue 475
Atom C of residue 392
Atom O of residue 161
Atom CB of residue 439
Atom C of residue 29
Atom CE of residue 124
Atom CD2 of residue 276
Atom CE of residue 2
Atom C of residue 211
Atom O of residue 135
Atom N of residue 563
Atom CB of residue 165
Atom CA of residue 220
Atom CA of residue 138
Atom N of residue 260
Atom N of residue 185
Atom CB of residue 120
Atom O of residue 618
Atom N of residue 103
GLY
Atom C of residue 681
Atom C of residue 659
Atom C of residue 628
Atom CB of residue 455
GLY
Atom CD1 of residue 632
Atom CA of residue 24
Atom CB of residue 654
Atom CG of residue 571
Atom OE1 of residue 92
Atom CG of residue 60
Atom N of residue 470
Atom CB of residue 397
Atom CA of residue 246
Atom CA of residue 545
Atom CB of residue 189
Atom CG of residue 129
Atom CA of residue 593
ALA
Atom CB of residue 268
Atom CE2 of residue 292
Atom C of residue 139
Atom N of residue 370
Atom N of residue 434
Atom OG1 of residue 377
Atom O of residue 534
Atom CA of residue 315
Atom CG of residue 464
Atom N of residue 199
Atom N of residue 623
Atom O of residue 319
SER
Atom CG1 of residue 423
Atom O of residue 302
Atom N of residue 372
Atom CA of residue 232
Atom C of residue 334
Atom CB of residue 247
Atom CG of residue 480
SER
Atom C of residue 407
Atom CE2 of residue 107
Atom ND1 of residue 443
Atom N of residue 302
Atom C of residue 356
Atom CD1 of residue 387
Atom O of residue 388
SER
Atom OG1 of residue 324
Atom N of residue 38
Atom C of residue 676
Atom CZ of residue 16
Atom CB of residue 238
Atom O of residue 438
Atom N of residue 369
Atom CG of residue 64
Atom C of residue 519
GLN
Atom OE2 of residue 145
Atom O of residue 386
THR
Atom CZ of residue 106
Atom C of residue 329
Atom OE2 of residue 350
Atom O of residue 119
GLY
Atom N of residue 170
Atom CA of residue 83
Atom OD2 of residue 361
Atom CA of residue 233
Atom OE2 of residue 85
Atom CE1 of residue 435
Atom CG of residue 208
GLU
Atom CA of residue 394
Atom N of residue 460
VAL
Atom CG of residue 89
Atom CA of residue 148
Atom CA of residue 297
Atom CA of residue 103
Atom CB of residue 319
Atom O of residue 659
ALA
Atom N of residue 381
Atom CG of residue 185
Atom C of residue 194
Atom CA of residue 644
Atom N of residue 490
Atom N of residue 417
Atom CA of residue 198
Atom CZ of residue 306
Atom ND2 of residue 513
Atom NE of residue 414
Atom O of residue 324
Atom C of residue 124
Atom SG of residue 588
Atom NE2 of residue 344
Atom CB of residue 34
Atom OG of residue 397
Atom CD of residue 340
Atom CA of residue 274
Atom CG1 of residue 189
Atom CA of residue 11
Atom C of residue 593
Atom CD of residue 75
Atom CD2 of residue 51
Atom CG of residue 272
Atom CB of residue 534
Atom N of residue 180
Atom N of residue 293
Atom O of residue 554
Atom N of residue 6
Atom CE1 of residue 418
Atom CB of residue 443
Atom OE1 of residue 431
Atom N of residue 365
Atom CD2 of residue 311
Atom CA of residue 66
Atom O of residue 157
Atom C of residue 243
Atom N of residue 406
Atom O of residue 392
PHE
Atom CA of residue 287
Atom O of residue 365
Atom CA of residue 265
Atom C of residue 134
Atom CA of residue 340
LEU
Atom CD2 of residue 638
Atom O of residue 282
Atom NZ of residue 124
PRO
Atom CZ of residue 107
Atom CA of residue 360
Atom CE1 of residue 116
Atom O of residue 539
Atom O of residue 411
Atom OG of residue 287
Atom O of residue 676
Atom O of residue 310
Atom O of residue 225
Atom CB of residue 71
Atom CB of residue 421
Atom O of residue 355
VAL
Atom N of residue 426
LEU
Atom C of residue 46
LYS
Atom C of residue 112
Atom CD of residue 93
SER
Atom CA of residue 259
Atom O of residue 29
Atom CD2 of residue 60
Atom CG2 of residue 448
Atom N of residue 270
Atom CG of residue 239
Atom N of residue 204
Atom CG of residue 165
Atom O of residue 139
SER
Atom CB of residue 681
Atom ND1 of residue 464
Atom O of residue 198
Atom CD2 of residue 484
ARG
Atom C of residue 198
Atom C of residue 150
Atom CA of residue 260
LEU
Atom CD2 of residue 632
Atom CA of residue 190
Atom CA of residue 22
Atom CB of residue 143
Atom O of residue 207
Atom C of residue 2
Atom CD of residue 503
Atom C of residue 406
Atom C of residue 220
Atom O of residue 593
Atom CG of residue 529
Atom O of residue 174
Atom O of residue 556
Atom N of residue 81
Atom C of residue 103
Atom CB of residue 119
Atom N of residue 400
Atom CD1 of residue 64
Atom NE of residue 430
Atom CG of residue 102
Atom CB of residue 524
Atom CA of residue 509
Atom CB of residue 161
Atom CB of residue 24
ALA
Atom NE2 of residue 439
Atom N of residue 408
Atom CA of residue 499
Atom N of residue 97
Atom N of residue 277
Atom CB of residue 539
Atom N of residue 136
SER
Atom N of residue 256
Atom C of residue 246
Atom C of residue 361
Atom OD1 of residue 80
PRO
Atom O of residue 345
Atom CG of residue 71
Atom NH1 of residue 16
Atom CG of residue 238
Atom C of residue 55
Atom CB of residue 618
Atom OG of residue 233
Atom O of residue 160
Atom N of residue 223
Atom CA of residue 613
ALA
TYR
Atom CG1 of residue 217
Atom CB of residue 588
THR
Atom CG2 of residue 189
Atom CA of residue 75
Atom CE1 of residue 51
Atom N of residue 495
Atom CA of residue 112
Atom OE2 of residue 92
Atom N of residue 320
Atom O of residue 112
Atom CB of residue 83
Atom CB of residue 157
Atom CB of residue 302
Atom O of residue 198
Atom CG of residue 268
Atom OD1 of residue 208
Atom O of residue 230
Atom NH1 of residue 306
Atom CG2 of residue 377
Atom C of residue 203
Atom CA of residue 76
Atom CG of residue 34
Atom CD2 of residue 387
Atom CB of residue 340
Atom CA of residue 329
ASN
Atom C of residue 233
Atom C of residue 148
Atom CB of residue 297
Atom CA of residue 144
Atom CD of residue 265
SER
Atom CA of residue 316
Atom CB of residue 438
Atom CA of residue 90
Atom N of residue 444
Atom OE2 of residue 431
Atom OG of residue 386
Atom CB of residue 598
Atom CG of residue 319
Atom O of residue 134
Atom CB of residue 554
Atom CA of residue 427
Atom C of residue 287
Atom C of residue 66
Atom CG of residue 455
Atom O of residue 628
Atom CB of residue 11
Atom N of residue 86
Atom C of residue 435
Atom CZ of residue 292
Atom N of residue 311
Atom N of residue 335
Atom CD1 of residue 93
GLN
Atom SG of residue 534
Atom NE2 of residue 464
Atom C of residue 382
SER
Atom N of residue 412
Atom O of residue 124
Atom CA of residue 297
Atom CA of residue 490
Atom NE of residue 93
HIS
Atom C of residue 613
Atom CD of residue 89
Atom N of residue 655
SER
Atom C of residue 265
Atom C of residue 360
ASP
Atom CA of residue 180
Atom N of residue 449
THR
Atom CD1 of residue 239
Atom CB of residue 593
Atom O of residue 130
Atom N of residue 175
Atom C of residue 350
Atom CG of residue 443
Atom O of residue 356
PRO
Atom O of residue 211
Atom CA of residue 470
Atom CZ of residue 430
Atom CA of residue 204
Atom CA of residue 251
Atom OG1 of residue 83
Atom CB of residue 388
Atom N of residue 312
Atom O of residue 243
Atom C of residue 350
Atom CB of residue 475
Atom N of residue 393
Atom C of residue 259
Atom CG of residue 120
Atom CD2 of residue 247
Atom O of residue 203
Atom O of residue 519
Atom CG1 of residue 143
Atom CB of residue 207
SER
Atom CE2 of residue 116
Atom CE2 of residue 418
Atom OE1 of residue 503
Atom N of residue 146
Atom C of residue 644
Atom C of residue 329
LEU
Atom N of residue 346
GLY
Atom OE1 of residue 365
Atom CB of residue 355
Atom CB of residue 265
Atom CG of residue 315
LYS
Atom CA of residue 335
Atom N of residue 161
Atom CA of residue 319
Atom O of residue 46
Atom CA of residue 609
Atom CB of residue 274
Atom OD1 of residue 129
Atom C of residue 138
Atom C of residue 394
Atom CB of residue 225
ARG
VAL
Atom CG1 of residue 161
Atom CZ of residue 414
Atom CA of residue 166
Atom CB of residue 22
Atom CE1 of residue 60
Atom N of residue 589
Atom O of residue 361
Atom N of residue 140
Atom C of residue 402
Atom N of residue 514
Atom C of residue 233
Atom C of residue 340
Atom N of residue 465
Atom O of residue 250
Atom CA of residue 256
GLY
VAL
Atom OD1 of residue 165
Atom C of residue 509
Atom N of residue 199
Atom C of residue 649
Atom O of residue 150
Atom O of residue 613
Atom CA of residue 228
Atom N of residue 633
Atom N of residue 422
Atom CD of residue 272
TYR
Atom C of residue 499
Atom O of residue 681
Atom N of residue 639
Atom N of residue 283
Atom CG2 of residue 217
Atom N of residue 540
Atom CA of residue 178
Atom C of residue 545
Atom CG2 of residue 423
Atom OD2 of residue 80
Atom NH1 of residue 106
Atom CA of residue 550
VAL
Atom CG1 of residue 266
Atom CA of residue 535
Atom CG of residue 119
Atom CD2 of residue 64
Atom CE1 of residue 557
Atom O of residue 603
Atom N of residue 93
Atom CD1 of residue 102
Atom CB of residue 230
Atom C of residue 377
VAL
LEU
Atom CA of residue 191
GLY
VAL
Atom C of residue 180
Atom N of residue 345
Atom C of residue 282
Atom O of residue 329
Atom O of residue 66
Atom CD1 of residue 455
Atom CA of residue 372
Atom O of residue 233
Atom C of residue 75
Atom CB of residue 260
Atom O of residue 557
Atom OG of residue 297
Atom CA of residue 213
Atom CB of residue 112
Atom O of residue 407
Atom CA of residue 42
Atom O of residue 382
Atom CB of residue 659
THR
Atom CB of residue 211
Atom O of residue 194
ASN
Atom CA of residue 563
Atom C of residue 306
Atom CA of residue 567
Atom CA of residue 495
Atom CA of residue 278
Atom OD1 of residue 120
Atom CA of residue 376
Atom C of residue 397
Atom CA of residue 170
Atom CB of residue 628
Atom C of residue 189
Atom OH of residue 292
Atom CE2 of residue 51
Atom CB of residue 334
Atom CD2 of residue 439
Atom CB of residue 144
Atom CD1 of residue 571
Atom O of residue 340
TRP
Atom O of residue 256
Atom CG2 of residue 83
Atom NH1 of residue 93
Atom O of residue 220
Atom CG of residue 157
Atom O of residue 138
Atom CD1 of residue 529
Atom NH2 of residue 306
Atom O of residue 329
Atom NE of residue 89
Atom SG of residue 654
Atom C of residue 427
Atom OH of residue 107
Atom CA of residue 302
Atom CD1 of residue 324
Atom CA of residue 623
Atom N of residue 525
Atom CG of residue 340
Atom O of residue 545
Atom N of residue 325
Atom CD1 of residue 268
Atom N of residue 131
Atom CA of residue 150
Atom CB of residue 676
Atom C of residue 550
PHE
Atom OG of residue 24
Atom NE1 of residue 93
Atom C of residue 598
Atom CA of residue 180
Atom CB of residue 315
Atom CG of residue 554
Atom C of residue 124
Atom CB of residue 443
Atom N of residue 357
Atom C of residue 297
Atom CB of residue 69
Atom N of residue 389
Atom C of residue 287
Atom CA of residue 185
Atom NE2 of residue 247
Atom CG of residue 618
Atom O of residue 190
Atom CB of residue 76
Atom N of residue 520
Atom CE2 of residue 184
Atom CZ of residue 418
ASP
Atom O of residue 644
Atom O of residue 287
Atom CB of residue 80
Atom CG of residue 260
Atom CA of residue 370
GLU
Atom CB of residue 134
Atom N of residue 30
Atom C of residue 185
Atom O of residue 2
Atom C of residue 387
Atom CA of residue 417
Atom CG of residue 274
THR
Atom CB of residue 613
Atom O of residue 394
Atom OG of residue 225
Atom CA of residue 460
Atom NE2 of residue 101
Atom O of residue 103
Atom CD of residue 319
Atom O of residue 55
Atom CA of residue 465
Atom CA of residue 381
Atom CE2 of residue 60
HIS
VAL
Atom CD2 of residue 239
Atom CB of residue 112
Atom N of residue 424
Atom CG of residue 302
Atom CG of residue 593
ALA
Atom CB of residue 603
Atom CB of residue 124
Atom NH1 of residue 430
Atom CD1 of residue 34
Atom O of residue 246
Atom CA of residue 365
Atom OD2 of residue 165
Atom O of residue 509
Atom CD1 of residue 71
Atom OD1 of residue 421
Atom OD1 of residue 238
Atom O of residue 148
Atom CG of residue 438
PRO
THR
Atom C of residue 166
Atom CG of residue 207
Atom NE2 of residue 503
Atom CA of residue 6
Atom C of residue 470
VAL
Atom CB of residue 329
Atom NH2 of residue 106
TYR
Atom O of residue 550
Atom NH1 of residue 414
Atom NE2 of residue 557
Atom CD of residue 42
VAL
Atom CD2 of residue 102
Atom OD2 of residue 129
Atom CA of residue 38
SER
Atom O of residue 287
Atom CB of residue 228
Atom C of residue 185
Atom NH2 of residue 16
Atom CA of residue 400
Atom CB of residue 204
Atom C of residue 178
Atom N of residue 387
Atom C of residue 11
Atom N of residue 244
Atom CB of residue 233
Atom CG of residue 80
Atom O of residue 75
Atom CA of residue 434
Atom O of residue 350
Atom O of residue 233
Atom CB of residue 340
Atom C of residue 335
Atom O of residue 360
Atom CA of residue 181
Atom CA of residue 136
Atom C of residue 83
ARG
Atom ND2 of residue 208
ARG
ARG
Atom CA of residue 293
Atom CA of residue 277
Atom CZ of residue 659
Atom C of residue 217
Atom CA of residue 589
Atom CB of residue 194
ARG
Atom N of residue 362
Atom N of residue 351
Atom O of residue 435
Atom O of residue 259
Atom CA of residue 194
Atom CE1 of residue 439
Atom O of residue 124
Atom N of residue 251
Atom N of residue 3
Atom CG of residue 69
Atom C of residue 563
Atom O of residue 649
Atom C of residue 567
Atom CG1 of residue 334
Atom OE2 of residue 365
Atom CB of residue 278
Atom CZ of residue 89
Atom NE of residue 272
Atom CG of residue 355
Atom C of residue 376
Atom CD of residue 618
Atom CD2 of residue 571
Atom C of residue 190
Atom CG of residue 76
Atom CA of residue 426
Atom CE2 of residue 64
LEU
Atom N of residue 432
Atom CD2 of residue 455
Atom C of residue 324
Atom SD of residue 260
Atom CB of residue 557
Atom C of residue 24
Atom OD2 of residue 480
Atom C of residue 297
Atom O of residue 265
ALA
Atom N of residue 383
Atom O of residue 180
THR
Atom CA of residue 270
Atom CG of residue 211
Atom CB of residue 220
Atom O of residue 402
Atom O of residue 185
Atom OD2 of residue 120
Atom O of residue 598
Atom CB of residue 103
Atom CD1 of residue 60
Atom C of residue 623
Atom OG1 of residue 204
Atom CA of residue 223
Atom CZ of residue 93
Atom N of residue 67
Atom CG of residue 628
Atom O of residue 189
Atom CD of residue 302
Atom CA of residue 89
Atom C of residue 292
Atom C of residue 150
Atom O of residue 499
Atom OE1 of residue 185
Atom CA of residue 320
Atom C of residue 256
Atom O of residue 306
Atom CA of residue 92
Atom CB of residue 138
Atom CA of residue 86
Atom OG of residue 148
Atom CB of residue 203
Atom C of residue 293
Atom CD of residue 438
Atom CB of residue 42
Atom O of residue 427
Atom N of residue 108
Atom C of residue 251
Atom CG of residue 112
GLN
Atom OD1 of residue 157
Atom CG of residue 134
Atom C of residue 370
Atom CA of residue 311
Atom CB of residue 550
Atom CB of residue 194
Atom CG2 of residue 161
Atom N of residue 330
VAL
Atom N of residue 56
Atom CG of residue 265
Atom CG2 of residue 143
Atom NE2 of residue 443
CYS
Atom CD2 of residue 34
Atom CB of residue 170
Atom CB of residue 246
Atom CD2 of residue 268
Atom CD2 of residue 529
Atom C of residue 460
THR
Atom OD2 of residue 238
Atom N of residue 102
Atom NH2 of residue 414
VAL
Atom N of residue 604
Atom CB of residue 302
Atom C of residue 381
PRO
Atom CB of residue 644
Atom CA of residue 312
Atom N of residue 151
Atom CA of residue 393
Atom C of residue 495
Atom ND2 of residue 421
Atom CB of residue 213
Atom N of residue 135
Atom CD of residue 554
Atom N of residue 22
Atom C of residue 116
Atom CB of residue 270
Atom C of residue 609
Atom O of residue 387
Atom C of residue 365
Atom CD of residue 274
Atom N of residue 476
Atom CZ of residue 51
Atom CG of residue 613
Atom C of residue 16
Atom CG of residue 156
Atom CG1 of residue 144
Atom N of residue 535
Atom CB of residue 180
Atom CG of residue 324
Atom CD of residue 6
Atom O of residue 178
TYR
ILE
Atom CD of residue 593
Atom O of residue 11
TYR
Atom CG1 of residue 233
Atom CG of residue 230
Atom N of residue 307
Atom CA of residue 514
Atom N of residue 351
Atom CB of residue 265
Atom O of residue 335
Atom CB of residue 360
Atom N of residue 288
Atom CD of residue 69
Atom C of residue 340
Atom CB of residue 509
Atom CA of residue 140
Atom CD of residue 38
Atom CD2 of residue 71
Atom CG2 of residue 407
Atom CD1 of residue 355
Atom OG of residue 112
Atom O of residue 293
Atom CA of residue 639
Atom CA of residue 283
Atom CB of residue 93
Atom O of residue 297
Atom CA of residue 444
ASP
Atom O of residue 83
Atom OG of residue 329
Atom O of residue 350
Atom N of residue 436
Atom C of residue 208
Atom N of residue 260
Atom CG2 of residue 194
Atom O of residue 377
Atom NE of residue 319
Atom CE1 of residue 239
Atom CB of residue 372
Atom O of residue 567
Atom CB of residue 185
GLN
Atom CA of residue 161
Atom CA of residue 412
Atom CG1 of residue 124
ALA
Atom CG2 of residue 204
Atom O of residue 251
Atom CB of residue 649
Atom N of residue 395
Atom NH1 of residue 272
Atom C of residue 465
LEU
Atom C of residue 97
Atom OD1 of residue 207
Atom CA of residue 485
Atom OG1 of residue 270
Atom CG of residue 194
Atom O of residue 609
Atom O of residue 324
Atom CA of residue 199
Atom CB of residue 75
Atom CE2 of residue 93
Atom N of residue 481
Atom CB of residue 426
Atom NH2 of residue 430
Atom NH2 of residue 93
ALA
Atom CB of residue 545
Atom O of residue 150
Atom CD1 of residue 230
Atom CD1 of residue 161
Atom C of residue 439
Atom CB of residue 499
Atom O of residue 166
Atom N of residue 125
Atom CA of residue 144
Atom CG of residue 659
PRO
THR
Atom CD of residue 145
Atom C of residue 490
VAL
Atom CA of residue 175
Atom N of residue 415
Atom N of residue 234
Atom CZ of residue 64
Atom CB of residue 427
Atom CA of residue 449
Atom OE2 of residue 185
Atom C of residue 102
Atom O of residue 397
Atom N of residue 84
Atom N of residue 307
Atom ND2 of residue 157
Atom N of residue 130
Atom C of residue 228
Atom CG of residue 88
SER
Atom CA of residue 30
Atom C of residue 277
Atom O of residue 217
Atom CA of residue 525
Atom OG1 of residue 170
TYR
Atom CA of residue 346
Atom CA of residue 633
Atom C of residue 365
Atom N of residue 104
PHE
Atom CD1 of residue 76
PHE
Atom CB of residue 180
CYS
Atom N of residue 504
Atom CD1 of residue 112
Atom O of residue 282
Atom N of residue 190
Atom CG2 of residue 233
ALA
PRO
Atom N of residue 677
Atom N of residue 226
Atom C of residue 434
Atom N of residue 619
Atom OG of residue 681
Atom OD1 of residue 340
Atom O of residue 465
PRO
Atom C of residue 485
Atom N of residue 419
Atom C of residue 39
Atom O of residue 340
Atom ND1 of residue 417
Atom CG of residue 372
Atom CG of residue 75
Atom N of residue 403
Atom OD1 of residue 156
Atom CG2 of residue 144
Atom OG of residue 180
Atom CD1 of residue 119
Atom CB of residue 293
Atom N of residue 558
Atom CD of residue 211
Atom CB of residue 223
Atom C of residue 165
Atom CA of residue 387
Atom C of residue 106
Atom CG2 of residue 334
Atom CG1 of residue 550
Atom OG of residue 278
Atom CG1 of residue 194
Atom O of residue 63
Atom C of residue 120
Atom N of residue 378
Atom O of residue 376
VAL
SER
Atom N of residue 572
Atom C of residue 144
VAL
THR
Atom OG of residue 246
Atom N of residue 456
Atom CD of residue 628
Atom N of residue 61
Atom OE1 of residue 302
Atom CB of residue 38
Atom CB of residue 287
Atom O of residue 297
THR
Atom CG of residue 42
Atom CG of residue 93
Atom CB of residue 297
Atom N of residue 221
THR
Atom N of residue 269
Atom C of residue 260
Atom C of residue 400
LEU
Atom CD2 of residue 324
Atom O of residue 623
Atom CG2 of residue 270
Atom CE2 of residue 239
Atom O of residue 470
Atom CB of residue 350
Atom O of residue 292
Atom O of residue 208
Atom OH of residue 51
Atom ND1 of residue 613
Atom O of residue 495
Atom CB of residue 311
Atom CZ of residue 319
Atom CD2 of residue 443
Atom C of residue 444
Atom CB of residue 136
Atom O of residue 563
Atom CA of residue 47
Atom OE1 of residue 593
Atom CA of residue 244
Atom CG of residue 138
ILE
ALA
SER
Atom CG of residue 265
Atom N of residue 336
Atom ND2 of residue 207
Atom CG of residue 360
Atom O of residue 485
Atom C of residue 181
Atom CB of residue 178
Atom CG of residue 417
Atom CA of residue 424
Atom O of residue 181
Atom O of residue 370
Atom O of residue 24
Atom CE3 of residue 93
Atom OE1 of residue 554
Atom CG of residue 426
Atom CA of residue 199
ARG
Atom CB of residue 161
Atom CA of residue 540
Atom CA of residue 357
Atom CG2 of residue 124
Atom C of residue 430
Atom CB of residue 282
TYR
Atom CA of residue 389
Atom N of residue 330
Atom O of residue 460
Atom CB of residue 166
Atom CA of residue 520
Atom O of residue 144
Atom O of residue 589
Atom CG1 of residue 644
Atom O of residue 490
Atom CA of residue 131
Atom N of residue 650
Atom CG of residue 185
Atom C of residue 421
Atom C of residue 514
Atom C of residue 112
CYS
Atom O of residue 116
Atom CB of residue 251
Atom O of residue 365
Atom CA of residue 362
Atom OE1 of residue 274
ARG
Atom CB of residue 567
Atom O of residue 106
Atom O of residue 228
HIS
Atom CD2 of residue 355
Atom CB of residue 465
Atom C of residue 639
Atom CB of residue 283
Atom CB of residue 277
Atom N of residue 218
Atom CZ of residue 60
Atom CB of residue 175
Atom O of residue 407
Atom OE1 of residue 101
Atom CD2 of residue 119
Atom CA of residue 383
Atom C of residue 449
Atom CB of residue 412
GLY
Atom CE1 of residue 34
Atom O of residue 165
Atom SG of residue 509
Atom N of residue 234
Atom C of residue 86
Atom CD2 of residue 230
Atom O of residue 434
Atom N of residue 366
Atom N of residue 162
Atom N of residue 149
ALA
Atom CG of residue 499
Atom O of residue 400
Atom N of residue 439
Atom CG of residue 340
Atom CA of residue 108
Atom O of residue 381
SER
Atom CB of residue 320
Atom CD of residue 194
Atom N of residue 94
HIS
Atom CB of residue 346
Atom CB of residue 150
Atom C of residue 633
Atom N of residue 298
Atom N of residue 682
LEU
Atom CB of residue 199
SER
VAL
Atom C of residue 540
Atom OE1 of residue 211
Atom CG of residue 136
Atom CB of residue 563
Atom O of residue 102
Atom N of residue 388
Atom CG1 of residue 223
SER
LEU
Atom CA of residue 403
Atom C of residue 278
Atom C of residue 65
SER
Atom N of residue 239
Atom CA of residue 655
VAL
Atom CB of residue 376
Atom CA of residue 408
Atom CD1 of residue 315
Atom CG of residue 179
Atom CB of residue 6
Atom CA of residue 257
Atom CG2 of residue 170
Atom CB of residue 490
Atom C of residue 312
PHE
Atom OE1 of residue 628
Atom CB of residue 393
Atom OG1 of residue 203
Atom O of residue 112
Atom O of residue 204
Atom CA of residue 67
TYR
Atom CD of residue 138
Atom N of residue 107
Atom CE of residue 260
Atom N of residue 288
Atom CE1 of residue 71
Atom CE1 of residue 247
Atom C of residue 265
Atom CB of residue 485
Atom O of residue 116
Atom CG1 of residue 180
Atom CB of residue 623
Atom OG of residue 153
Atom C of residue 525
Atom N of residue 341
Atom OD1 of residue 254
complex-2d.pdb
Atom N of residue 12
Atom OD1 of residue 372
THR
Atom CD of residue 311
Atom N of residue 25
ARG
Atom O of residue 439
Atom CA of residue 81
Atom C of residue 180
Atom CA of residue 120
Atom CG of residue 293
Atom CA of residue 251
Atom CD of residue 659
Atom CE1 of residue 443
Atom N of residue 325
Atom CB of residue 470
Atom CZ of residue 66
Atom CA of residue 84
Atom CB of residue 140
Atom CG2 of residue 550
Atom O of residue 120
SER
Atom NH1 of residue 319
Atom CA of residue 56
Atom CG of residue 320
Atom CA of residue 345
Atom CG2 of residue 644
Atom CA of residue 288
Atom OG of residue 178
Atom N of residue 398
Atom CB of residue 386
Atom CB of residue 181
Atom N of residue 371
Atom C of residue 535
Atom CD1 of residue 199
Atom CB of residue 30
Atom O of residue 97
Atom CB of residue 540
Atom CG of residue 297
Atom OE2 of residue 274
Atom CA of residue 130
Atom O of residue 86
Atom CG of residue 38
Atom CD1 of residue 334
Atom CB of residue 460
VAL
GLN
Atom CB of residue 408
GLY
Atom CD2 of residue 76
Atom NE2 of residue 554
Atom CB of residue 381
Atom C of residue 270
Atom CZ of residue 239
Atom CA of residue 432
Atom CB of residue 609
Atom C of residue 424
Atom N of residue 293
Atom CD2 of residue 613
Atom CB of residue 495
ILE
Atom O of residue 514
GLU
LEU
Atom CG of residue 302
Atom CB of residue 357
Atom N of residue 366
Atom C of residue 389
Atom N of residue 510
Atom OE2 of residue 593
Atom CG of residue 567
Atom CA of residue 599
Atom CG of residue 213
Atom O of residue 639
Atom OG1 of residue 283
Atom CA of residue 68
Atom C of residue 520
Atom N of residue 428
Atom N of residue 208
Atom CB of residue 116
Atom CG of residue 6
Atom CB of residue 47
THR
Atom O of residue 312
Atom NE2 of residue 302
Atom C of residue 199
Atom CB of residue 131
Atom CG of residue 393
Atom OG of residue 175
Atom CD of residue 426
Atom CB of residue 251
TYR
Atom O of residue 449
Atom CZ of residue 105
Atom O of residue 430
Atom CE2 of residue 34
TYR
ALA
VAL
Atom CA of residue 151
Atom C of residue 51
Atom CB of residue 434
ASN
Atom CA of residue 604
Atom C of residue 345
Atom N of residue 158
Atom CG of residue 346
Atom CG of residue 150
Atom CD1 of residue 185
Atom C of residue 82
Atom O of residue 535
Atom CD1 of residue 265
Atom CA of residue 234
Atom CA of residue 135
Atom CB of residue 190
Atom CA of residue 125
Atom CB of residue 144
Atom O of residue 277
Atom OD1 of residue 360
Atom N of residue 117
Atom C of residue 589
GLN
Atom OG of residue 545
Atom OG1 of residue 350
Atom CA of residue 476
Atom CG of residue 140
Atom N of residue 229
Atom CA of residue 226
Atom CA of residue 330
ALA
Atom C of residue 144
Atom CG2 of residue 408
Atom C of residue 108
GLN
Atom C of residue 60
Atom N of residue 154
Atom O of residue 444
SER
VAL
Atom O of residue 421
Atom CA of residue 307
Atom C of residue 81
Atom CA of residue 351
Atom CD2 of residue 315
PRO
Atom C of residue 204
Atom N of residue 166
Atom CB of residue 362
Atom CB of residue 244
Atom ND2 of residue 156
Atom CB of residue 400
Atom C of residue 42
Atom O of residue 525
Atom ND2 of residue 254
Atom CG of residue 282
Atom OG of residue 490
Atom CA of residue 132
Atom O of residue 199
Atom CA of residue 436
Atom CA of residue 260
THR
Atom C of residue 247
Atom CA of residue 412
Atom NH2 of residue 272
Atom N of residue 440
Atom CG of residue 199
Atom CG of residue 251
Atom OD1 of residue 302
Atom O of residue 540
Atom OD1 of residue 136
Atom NH1 of residue 66
Atom OG of residue 563
Atom CD2 of residue 112
Atom CG2 of residue 223
Atom CA of residue 221
Atom CB of residue 67
Atom O of residue 51
Atom O of residue 278
Atom O of residue 194
Atom CE1 of residue 355
Atom CD of residue 213
Atom CB of residue 56
Atom C of residue 76
Atom C of residue 604
ARG
Atom O of residue 345
Atom C of residue 432
Atom CG of residue 251
Atom CA of residue 456
Atom OE2 of residue 628
Atom N of residue 209
Atom CA of residue 395
Atom CD of residue 499
Atom CA of residue 572
Atom C of residue 30
Atom CG of residue 144
Atom NE of residue 194
Atom CA of residue 190
Atom C of residue 476
Atom C of residue 38
Atom CG of residue 311
Atom CE2 of residue 71
Atom CG2 of residue 203
Atom CA of residue 481
LEU
Atom CA of residue 619
Atom N of residue 466
TRP
Atom O of residue 108
Atom OG of residue 485
Atom CG1 of residue 161
Atom CG of residue 116
Atom OG1 of residue 623
Atom N of residue 125
Atom CA of residue 504
Atom CG of residue 47
Atom N of residue 103
Atom CB of residue 417
Atom CB of residue 403
Atom CG of residue 287
Atom N of residue 231
THR
GLN
Atom CZ2 of residue 93
Atom CA of residue 415
Atom CD1 of residue 293
Atom N of residue 555
Atom CG of residue 166
Atom C of residue 443
Atom CG2 of residue 180
Atom SG of residue 357
Atom NZ of residue 609
LEU
Atom CB of residue 151
Atom N of residue 551
Atom O of residue 633
Atom N of residue 599
ARG
Atom N of residue 98
Atom O of residue 520
Atom N of residue 645
Atom CB of residue 84
Atom CA of residue 307
LEU
Atom N of residue 303
THR
Atom CA of residue 530
ALA
Atom OD1 of residue 70
Atom CA of residue 378
Atom NE of residue 659
Atom NH1 of residue 105
Atom C of residue 170
Atom CA of residue 234
Atom CB of residue 86
Atom N of residue 76
Atom CG1 of residue 460
Atom CA of residue 149
Atom O of residue 144
Atom CG2 of residue 56
Atom N of residue 113
Atom OG1 of residue 408
Atom C of residue 68
Atom O of residue 604
Atom OG of residue 381
Atom O of residue 270
VAL
Atom CA of residue 491
THR
Atom CE1 of residue 613
Atom CG of residue 495
Atom CA of residue 677
Atom CB of residue 514
Atom O of residue 82
Atom O of residue 265
Atom CD2 of residue 265
Atom C of residue 572
Atom OD2 of residue 360
Atom OG1 of residue 412
Atom O of residue 185
Atom CA of residue 419
LEU
GLU
Atom C of residue 77
Atom ND2 of residue 372
Atom CA of residue 269
Atom O of residue 476
Atom C of residue 156
Atom O of residue 180
Atom CG of residue 190
Atom CB of residue 639
Atom CG2 of residue 283
Atom O of residue 42
Atom CB of residue 383
Atom CD1 of residue 297
Atom C of residue 6
Atom CB of residue 444
Atom CA of residue 94
Atom O of residue 389
Atom CB of residue 312
Atom C of residue 274
Atom OG of residue 403
Atom CD1 of residue 393
Atom C of residue 175
Atom CZ3 of residue 93
Atom CG1 of residue 17
Atom OG of residue 376
Atom C of residue 135
Atom OE1 of residue 79
Atom CA of residue 336
Atom CD of residue 251
Atom CB of residue 449
Atom CB of residue 40
Atom N of residue 113
Atom CA of residue 330
Atom CG of residue 244
Atom CG1 of residue 131
THR
Atom CB of residue 330
Atom CE1 of residue 464
Atom CA of residue 558
Atom CG2 of residue 161
Atom OE2 of residue 211
Atom CB of residue 345
Atom CB of residue 288
Atom CD of residue 251
Atom CG of residue 84
ARG
Atom C of residue 530
Atom CD of residue 346
Atom C of residue 395
Atom CD2 of residue 185
Atom N of residue 71
Atom CA of residue 162
Atom C of residue 307
Atom CB of residue 351
Atom CD of residue 144
Atom CA of residue 325
PRO
Atom C of residue 130
MET
Atom CD of residue 140
Atom CE2 of residue 355
Atom NH2 of residue 319
ILE
Atom O of residue 432
Atom C of residue 132
Atom N of residue 139
Atom ND1 of residue 436
Atom C of residue 260
Atom C of residue 677
Atom N of residue 121
Atom OD1 of residue 432
Atom N of residue 120
Atom NE of residue 499
Atom N of residue 585
Atom CD1 of residue 166
VAL
Atom CG of residue 470
Atom N of residue 257
Atom CG2 of residue 350
Atom CA of residue 650
Atom CA of residue 209
Atom CA of residue 557
Atom OG of residue 465
Atom CE of residue 426
Atom CA of residue 43
Atom C of residue 93
LYS
GLY
Atom CD2 of residue 320
Atom OH of residue 239
Atom CZ of residue 194
Atom N of residue 431
Atom CB of residue 525
Atom CD1 of residue 266
SER
SER
ALA
Atom CG of residue 434
Atom CH2 of residue 93
Atom N of residue 179
Atom O of residue 170
HIS
Atom C of residue 417
Atom O of residue 424
Atom CA of residue 12
Atom N of residue 52
Atom CB of residue 633
Atom CG1 of residue 56
Atom C of residue 619
Atom O of residue 76
Atom CB of residue 604
Atom CG of residue 383
Atom ND1 of residue 116
Atom CD of residue 282
Atom OG1 of residue 67
Atom N of residue 546
Atom CA of residue 325
Atom O of residue 530
Atom C of residue 226
PRO
SER
Atom N of residue 273
Atom C of residue 415
Atom CB of residue 234
Atom C of residue 419
Atom CA of residue 398
Atom C of residue 372
Atom CB of residue 476
Atom C of residue 151
Atom C of residue 70
Atom N of residue 181
Atom CA of residue 428
Atom N of residue 486
Atom NH1 of residue 659
Atom N of residue 564
GLU
Atom C of residue 94
Atom CD of residue 567
Atom C of residue 403
Atom O of residue 677
Atom N of residue 312
Atom N of residue 279
Atom CB of residue 378
Atom N of residue 377
Atom CD2 of residue 293
Atom CG of residue 400
Atom C of residue 357
Atom CA of residue 388
Atom C of residue 456
Atom C of residue 269
Atom C of residue 650
HIS
Atom C of residue 194
Atom CA of residue 25
Atom C of residue 481
HIS
Atom CA of residue 682
Atom CB of residue 520
Atom OD2 of residue 302
Atom CA of residue 218
Atom N of residue 181
Atom CG2 of residue 412
Atom CD2 of residue 297
Atom C of residue 504
Atom N of residue 212
Atom ND2 of residue 136
Atom CZ of residue 34
Atom CD1 of residue 47
Atom CG of residue 609
Atom CD1 of residue 84
Atom C of residue 223
Atom C of residue 221
Atom CA of residue 158
ARG
Atom OE1 of residue 213
Atom NH1 of residue 96
Atom CA of residue 439
Atom OE1 of residue 144
Atom CG2 of residue 623
Atom N of residue 629
Atom O of residue 130
GLY
Atom CD1 of residue 150
Atom CA of residue 298
Atom N of residue 145
VAL
Atom O of residue 30
Atom CB of residue 125
Atom CA of residue 98
Atom O of residue 60
Atom N of residue 271
Atom OG1 of residue 288
Atom CB of residue 307
Atom CB of residue 389
HIS
Atom CA of residue 107
Atom CB of residue 77
Atom CD of residue 495
Atom CZ of residue 71
Atom O of residue 307
Atom CA of residue 239
PRO
Atom O of residue 572
Atom CE1 of residue 315
Atom CD of residue 336
Atom N of residue 361
LEU
Atom CB of residue 398
Atom CG of residue 362
Atom CB of residue 424
Atom N of residue 594
Atom CG2 of residue 131
Atom CA of residue 293
Atom CD1 of residue 287
Atom C of residue 412
Atom C of residue 655
Atom O of residue 156
Atom NZ of residue 426
Atom C of residue 558
Atom O of residue 93
Atom O of residue 443
Atom CE of residue 69
Atom O of residue 132
Atom CB of residue 199
Atom OE2 of residue 567
Atom O of residue 395
Atom CD of residue 434
Atom CG2 of residue 460
PRO
GLU
Atom CG2 of residue 17
Atom O of residue 247
Atom N of residue 266
Atom N of residue 65
Atom OE1 of residue 251
Atom CA of residue 208
Atom N of residue 382
Atom N of residue 186
LEU
Atom N of residue 255
Atom CD1 of residue 244
Atom O of residue 650
Atom CA of residue 371
Atom CB of residue 535
Atom C of residue 682
Atom C of residue 161
Atom CB of residue 589
Atom C of residue 239
Atom CG of residue 345
Atom SD of residue 470
Atom CA of residue 166
Atom C of residue 234
Atom OG1 of residue 86
LEU
Atom CB of residue 530
Atom CA of residue 229
Atom N of residue 186
Atom CB of residue 148
Atom ND2 of residue 340
GLN
Atom CB of residue 108
Atom CD of residue 540
Atom O of residue 6
Atom CE3 of residue 320
Atom NH1 of residue 194
Atom CA of residue 76
Atom CA of residue 52
Atom C of residue 557
Atom N of residue 515
Atom CZ of residue 355
Atom NH2 of residue 105
Atom CA of residue 103
Atom CA of residue 366
Atom O of residue 274
Atom O of residue 38
Atom CB of residue 677
Atom O of residue 226
Atom CZ of residue 499
Atom SG of residue 234
Atom CD1 of residue 400
Atom CG of residue 639
Atom C of residue 283
Atom CD2 of residue 166
Atom CA of residue 326
Atom CA of residue 154
Atom CA of residue 645
Atom CG2 of residue 398
Atom CB of residue 388
Atom CG1 of residue 312
Atom CB of residue 190
Atom CD2 of residue 393
Atom O of residue 175
Atom O of residue 260
Atom C of residue 93
Atom N of residue 204
LYS
Atom CB of residue 82
Atom N of residue 320
Atom OG of residue 125
Atom CA of residue 117
Atom CG of residue 449
Atom CA of residue 125
LYS
Atom C of residue 136
SER
Atom CD2 of residue 84
Atom O of residue 223
Atom CB of residue 130
Atom CA of residue 510
Atom O of residue 260
ARG
Atom OG of residue 330
GLY
Atom O of residue 199
Atom N of residue 309
Atom O of residue 419
Atom N of residue 283
Atom N of residue 491
Atom O of residue 456
Atom NE of residue 346
Atom CD2 of residue 150
Atom OG1 of residue 633
Atom OG of residue 351
Atom O of residue 682
Atom CG of residue 604
Atom CD1 of residue 383
Atom CG1 of residue 277
Atom O of residue 504
Atom OH of residue 34
Atom O of residue 221
Atom NE2 of residue 417
Atom NE of residue 140
Atom CB of residue 107
Atom CB of residue 245
Atom CA of residue 366
Atom NH2 of residue 96
Atom N of residue 624
Atom CG of residue 444
Atom CB of residue 432
GLY
Atom CB of residue 12
Atom CG of residue 476
Atom CG of residue 436
Atom CB of residue 25
Atom O of residue 70
Atom O of residue 408
Atom N of residue 266
Atom CD of residue 190
Atom N of residue 31
CYS
Atom CB of residue 218
Atom CB of residue 257
Atom N of residue 171
Atom CG2 of residue 67
MET
Atom N of residue 195
Atom CE1 of residue 293
Atom C of residue 439
GLU
Atom O of residue 325
Atom C of residue 412
Atom CG of residue 525
Atom O of residue 94
Atom CG of residue 190
Atom CB of residue 650
Atom CA of residue 551
Atom N of residue 248
Atom O of residue 412
Atom O of residue 655
Atom CA of residue 440
Atom CB of residue 298
Atom CE2 of residue 315
Atom O of residue 558
Atom N of residue 444
Atom N of residue 298
ASP
Atom CD1 of residue 362
Atom O of residue 234
Atom CG2 of residue 86
Atom N of residue 461
Atom C of residue 17
Atom C of residue 239
Atom O of residue 619
LYS
HIS
GLN
Atom NE of residue 251
CYS
Atom CG of residue 132
Atom C of residue 330
Atom CZ of residue 199
Atom CB of residue 293
Atom N of residue 408
Atom CA of residue 335
Atom C of residue 162
PHE
THR
Atom N of residue 536
Atom CA of residue 266
Atom O of residue 415
Atom CB of residue 98
Atom N of residue 247
Atom C of residue 302
Atom N of residue 61
ASN
Atom N of residue 106
Atom C of residue 645
Atom CG2 of residue 288
Atom CA of residue 139
Atom O of residue 151
Atom N of residue 39
Atom NE2 of residue 613
Atom NE of residue 495
Atom OE1 of residue 311
Atom C of residue 71
Atom CD of residue 366
Atom CB of residue 307
Atom NE2 of residue 213
GLN
Atom C of residue 120
Atom N of residue 77
Atom CD of residue 639
Atom O of residue 283
Atom C of residue 428
Atom C of residue 208
Atom CG1 of residue 589
Atom CE of residue 470
Atom CG1 of residue 398
Atom CA of residue 113
Atom CG2 of residue 312
Atom CG1 of residue 424
Atom CE1 of residue 393
Atom N of residue 176
Atom C of residue 371
Atom CZ of residue 104
Atom CG of residue 82
Atom N of residue 341
Atom N of residue 43
Atom CD of residue 117
Atom ND1 of residue 449
Atom O of residue 357
Atom CA of residue 70
Atom N of residue 275
Atom O of residue 269
Atom N of residue 568
Atom N of residue 404
Atom N of residue 157
Atom CG1 of residue 520
Atom NE2 of residue 251
Atom CA of residue 179
ILE
Atom CD of residue 609
Atom C of residue 158
Atom CA of residue 303
Atom CZ of residue 346
Atom CD2 of residue 287
ASP
Atom CB of residue 655
Atom CB of residue 682
LYS
Atom CD of residue 345
Atom N of residue 205
Atom C of residue 366
Atom CB of residue 325
Atom CZ of residue 140
ARG
Atom CG of residue 530
ASP
Atom C of residue 330
ASP
Model 0
Atom CA of residue 555
Atom C of residue 426
Atom CD2 of residue 199
Atom CG of residue 108
Atom C of residue 125
Atom N of residue 7
Atom CD1 of residue 444
Atom CG of residue 388
Atom OH of residue 84
Atom O of residue 330
ALA
Atom N of residue 261
Atom CB of residue 260
Atom CG of residue 181
Atom C of residue 335
LEU
Atom OG of residue 378
Atom C of residue 351
ILE
Atom CB of residue 336
Atom CD1 of residue 320
Atom CD2 of residue 47
ARG
Atom C of residue 510
Atom O of residue 372
Atom CG1 of residue 677
Atom O of residue 71
Atom CA of residue 422
Atom CG of residue 366
Atom CB of residue 71
Atom C of residue 234
Atom CG2 of residue 277
Atom O of residue 161
Atom C of residue 325
Atom C of residue 154
Atom CG of residue 432
Atom CD of residue 525
Atom CA of residue 546
Atom OG of residue 12
Atom CB of residue 436
Atom CB of residue 395
Atom O of residue 162
Atom O of residue 93
Atom O of residue 481
Atom CE1 of residue 166
Atom C of residue 125
Atom CG of residue 218
Atom N of residue 224
Atom CG of residue 130
Atom CD2 of residue 244
Atom CA of residue 279
Atom CA of residue 113
Atom OE1 of residue 190
Atom O of residue 439
LEU
Atom CG of residue 540
Atom O of residue 239
Atom CZ of residue 251
Atom N of residue 390
Atom CB of residue 456
Atom CE1 of residue 150
THR
Atom CG of residue 298
Atom CD of residue 604
Atom N of residue 505
Atom CA of residue 40
Atom CG of residue 307
Atom C of residue 131
Atom CA of residue 121
Atom O of residue 239
Atom N of residue 356
Atom CB of residue 619
Atom CZ of residue 315
GLN
Atom C of residue 555
VAL
LEU
Atom C of residue 84
Atom CD of residue 132
Atom CD of residue 476
Atom CD of residue 181
Atom CB of residue 229
Atom CB of residue 226
Atom O of residue 335
Atom ND1 of residue 440
Atom NH1 of residue 499
LYS
Atom CA of residue 486
MET
Atom N of residue 358
Atom OG1 of residue 325
Atom CB of residue 269
Atom N of residue 152
Atom CG2 of residue 633
Atom CB of residue 422
Atom O of residue 17
Atom CA of residue 145
Atom CG of residue 406
Atom CG2 of residue 520
Atom O of residue 428
Atom NH2 of residue 194
Atom CA of residue 431
Atom C of residue 67
Atom C of residue 546
Atom CD2 of residue 362
Atom CG1 of residue 650
Atom O of residue 371
Atom OE2 of residue 311
Atom NE of residue 434
Atom C of residue 378
Atom NH1 of residue 104
Atom OE1 of residue 413
Atom CB of residue 415
Atom CB of residue 419
Atom OG1 of residue 107
Atom O of residue 403
TRP
SER
Atom CB of residue 558
Atom CD2 of residue 383
Atom NH2 of residue 659
Atom O of residue 302
Atom O of residue 412
Atom O of residue 125
Atom CA of residue 212
Atom CB of residue 103
GLY
Atom C of residue 113
Atom CB of residue 166
Atom CB of residue 221
Atom CB of residue 94
Atom CD2 of residue 417
Atom O of residue 158
Atom CB of residue 209
Atom CA of residue 408
Atom CA of residue 195
TRP
Atom CA of residue 273
Atom C of residue 213
Atom CD1 of residue 82
Atom CA of residue 377
Atom C of residue 408
Atom CA of residue 271
GLY
Atom CD1 of residue 179
Atom CE1 of residue 47
TYR
Atom O of residue 366
Atom CA of residue 629
Atom N of residue 373
Atom CA of residue 248
Atom CG of residue 199
GLY
PRO
Atom CZ of residue 495
Atom CB of residue 366
Atom OG of residue 535
Atom CB of residue 555
Atom CB of residue 117
LYS
Atom C of residue 303
Atom CA of residue 594
TYR
Atom CG1 of residue 655
Atom CD2 of residue 400
Atom C of residue 199
Atom CG of residue 336
LYS
Atom O of residue 510
Atom CE1 of residue 244
Atom CB of residue 96
Atom OG1 of residue 422
Atom CA of residue 515
Atom C of residue 599
Atom C of residue 56
Atom CB of residue 266
Atom CA of residue 181
Atom C of residue 251
HIS
Atom N of residue 162
Atom O of residue 136
Atom CA of residue 564
Atom CB of residue 546
ALA
Atom CG1 of residue 395
Atom CA of residue 204
Atom O of residue 120
Atom CG of residue 682
Atom N of residue 97
Atom N of residue 640
Atom N of residue 284
Atom CE2 of residue 166
Atom CA of residue 186
Atom N of residue 346
Atom CG2 of residue 424
Atom O of residue 131
Atom CG of residue 293
Atom CB of residue 52
Atom CD of residue 530
THR
Atom CA of residue 186
Atom CG of residue 25
Atom CB of residue 121
Atom O of residue 330
Atom CB of residue 481
Atom CB of residue 113
Atom CA of residue 466
LEU
Atom CA of residue 361
Atom CD2 of residue 449
Atom C of residue 288
Atom C of residue 34
Atom CE of residue 609
Atom O of residue 113
Atom O of residue 84
Atom C of residue 139
Atom CB of residue 335
Atom C of residue 408
Atom N of residue 308
Atom CA of residue 248
Atom C of residue 273
Atom O of residue 351
Atom CA of residue 266
Atom NE2 of residue 190
Atom O of residue 208
ASN
Atom CG2 of residue 589
Atom NH1 of residue 346
Atom CG2 of residue 677
SER
Atom C of residue 491
Atom CD1 of residue 307
Atom OG of residue 166
Atom OE1 of residue 132
Atom O of residue 67
Atom CD1 of residue 190
Atom CA of residue 351
Atom NE2 of residue 436
VAL
Atom CG of residue 226
Atom CZ of residue 434
Atom CB of residue 162
Atom NH2 of residue 499
Atom CA of residue 65
Atom CD of residue 218
Atom N of residue 541
Atom CD2 of residue 444
Atom N of residue 634
Atom CB of residue 412
Atom CG of residue 266
Atom O of residue 426
Atom CG of residue 98
Atom CE1 of residue 383
Atom N of residue 240
Atom CG of residue 103
Atom NH1 of residue 251
Atom CG2 of residue 325
Atom N of residue 87
Atom C of residue 551
Atom CD1 of residue 298
Atom CB of residue 439
Atom N of residue 605
Atom CA of residue 382
Atom CB of residue 186
Atom OG of residue 419
Atom NE of residue 525
Atom CB of residue 70
Atom CD of residue 388
Atom CA of residue 255
Atom CE2 of residue 150
GLY
Atom O of residue 56
Atom CG of residue 619
Atom O of residue 555
Atom CG1 of residue 558
Atom NE1 of residue 320
Atom N of residue 471
Atom CB of residue 431
Atom OG of residue 221
Atom NE of residue 476
Atom CB of residue 234
Atom CG of residue 209
Atom CB of residue 279
Atom O of residue 273
Atom CB of residue 239
Atom O of residue 234
ALA
Atom N of residue 401
Atom CB of residue 43
Atom N of residue 278
Atom N of residue 180
Atom CA of residue 171
Atom CA of residue 283
Atom N of residue 313
Atom C of residue 12
Atom CE2 of residue 393
Atom CG2 of residue 422
Atom CD of residue 25
Atom CA of residue 320
Atom CE2 of residue 293
Atom O of residue 125
Atom N of residue 521
Atom C of residue 212
Atom O of residue 398
Atom CG of residue 257
Atom O of residue 491
LYS
Atom O of residue 546
Atom C of residue 351
Atom CG2 of residue 650
Atom CA of residue 85
Atom CB of residue 371
Atom O of residue 378
Atom C of residue 377
VAL
Atom CD1 of residue 108
Atom CD2 of residue 116
SER
Atom O of residue 154
Atom CG of residue 456
Atom OE1 of residue 181
Atom OG1 of residue 260
Atom OG of residue 229
Atom CG1 of residue 113
Atom N of residue 409
Atom CA of residue 61
LEU
GLY
Atom N of residue 195
Atom O of residue 288
Atom N of residue 137
Atom N of residue 85
Atom CB of residue 330
Atom CE1 of residue 362
Atom NH1 of residue 140
SER
GLY
Atom O of residue 551
GLY
Atom O of residue 599
Atom N of residue 18
ARG
Atom N of residue 556
Atom CD of residue 186
Atom N of residue 433
Atom CB of residue 366
Atom CD1 of residue 424
SER
Atom SD of residue 293
Atom CG2 of residue 107
Atom N of residue 614
PRO
Atom N of residue 72
Atom CG of residue 440
Atom CB of residue 181
PRO
Atom CA of residue 31
Atom N of residue 668
Atom N of residue 303
Atom CB of residue 125
Atom CA of residue 106
Atom O of residue 34
Atom C of residue 564
Atom CE2 of residue 47
Atom CE1 of residue 417
Atom O of residue 139
Atom CD of residue 209
Atom CA of residue 39
Atom O of residue 213
Atom C of residue 336
Atom CB of residue 208
Atom CB of residue 428
Atom N of residue 413
Atom N of residue 610
Atom C of residue 283
Atom C of residue 629
Atom CB of residue 510
Atom CG of residue 96
Atom OH of residue 393
Atom C of residue 311
Atom CG of residue 121
Atom CD2 of residue 82
Atom C of residue 320
Atom CD1 of residue 266
Atom O of residue 251
Atom C of residue 361
Atom CA of residue 247
Atom CA of residue 444
Atom CG of residue 117
Atom CA of residue 624
Atom O of residue 645
Atom CA of residue 390
Atom C of residue 594
HIS
Atom O of residue 351
Atom CG of residue 481
Atom CA of residue 536
Atom CB of residue 120
Atom CD of residue 682
VAL
Atom CZ of residue 190
Atom CB of residue 158
Atom N of residue 132
Atom N of residue 531
Atom C of residue 515
Atom CG of residue 412
Atom OH of residue 315
Atom N of residue 427
PRO
Atom CE2 of residue 244
Atom CD of residue 199
LEU
ARG
Atom OG1 of residue 335
Atom CB of residue 273
Atom N of residue 235
Atom CG of residue 439
GLU
VAL
Atom OE1 of residue 388
Atom CD2 of residue 307
THR
Atom O of residue 303
Atom CG of residue 269
Atom CD1 of residue 677
Atom CZ of residue 150
Atom CA of residue 461
Atom C of residue 107
Atom C of residue 204
Atom CG of residue 415
Atom CA of residue 341
Atom N of residue 126
Atom O of residue 72
Atom CG of residue 431
Atom C of residue 166
Atom N of residue 68
Atom CA of residue 275
Atom CG1 of residue 234
Atom NH1 of residue 434
Atom CG of residue 279
Atom N of residue 331
Atom N of residue 240
Atom CB of residue 145
GLY
ARG
Atom CD of residue 98
Atom C of residue 486
Atom C of residue 382
Atom N of residue 590
Atom CB of residue 154
Atom N of residue 445
Atom CA of residue 471
Atom O of residue 283
Atom C of residue 255
Atom CD1 of residue 456
Atom OG1 of residue 94
Atom O of residue 12
Atom CA of residue 67
Atom CA of residue 176
Atom CG2 of residue 260
GLY
Atom O of residue 320
Atom N of residue 352
Atom CE1 of residue 449
THR
Atom CA of residue 205
Atom CA of residue 224
Atom CB of residue 79
Atom N of residue 94
Atom CA of residue 157
GLY
Atom CE1 of residue 116
Atom CG of residue 186
Atom CA of residue 7
Atom CG of residue 70
Atom CD1 of residue 257
Atom CB of residue 171
Atom NH2 of residue 251
Atom CD2 of residue 436
Atom NH2 of residue 346
Atom CA of residue 261
Atom NH1 of residue 495
Atom N of residue 57
Atom C of residue 266
Atom CA of residue 541
Atom CA of residue 505
Atom CB of residue 645
Atom CD of residue 103
Atom CZ of residue 476
Atom NH2 of residue 140
Atom CG of residue 52
Atom CB of residue 89
THR
Atom C of residue 66
GLN
SER
Atom CB of residue 271
Atom CA of residue 410
GLU
Atom CA of residue 568
Atom CG2 of residue 395
Atom C of residue 422
Atom O of residue 366
Atom OE1 of residue 25
Atom OG1 of residue 162
Atom NH2 of residue 104
Atom CB of residue 440
Atom CG of residue 181
Atom N of residue 500
Atom OE1 of residue 218
Atom CE2 of residue 320
Atom O of residue 564
Atom CD1 of residue 130
Atom CB of residue 351
Atom N of residue 651
Atom CD of residue 619
Atom CA of residue 585
Atom CD2 of residue 108
GLN
Atom O of residue 486
SER
Atom CG of residue 428
THR
Atom CZ of residue 525
Atom CB of residue 132
Atom O of residue 629
Atom O of residue 417
Atom C of residue 229
Atom CD2 of residue 298
Atom CG2 of residue 113
Atom N of residue 83
Atom CB of residue 31
Atom CG of residue 43
Atom CZ of residue 166
Atom CA of residue 413
Atom C of residue 106
Atom CB of residue 205
Atom CB of residue 113
Atom NE of residue 209
Atom CA of residue 152
Atom N of residue 40
Atom CA of residue 308
Atom CA of residue 356
Atom CG of residue 145
Atom C of residue 315
Atom N of residue 191
Atom CB of residue 61
Atom CE1 of residue 84
Atom CG of residue 158
Atom CE of residue 293
Atom C of residue 186
THR
Atom ND1 of residue 226
Atom O of residue 515
Atom N of residue 379
Atom CD1 of residue 415
Atom CZ of residue 293
Atom C of residue 247
Atom ND1 of residue 444
Atom C of residue 624
Atom CZ of residue 47
Atom C of residue 398
Atom CA of residue 373
Atom CA of residue 409
TYR
Atom CG1 of residue 208
Atom CG of residue 271
Atom C of residue 410
Atom N of residue 289
Atom OD2 of residue 432
Atom CG of residue 341
Atom CB of residue 283
Atom CG2 of residue 94
Atom CE2 of residue 362
Atom CB of residue 303
Atom OG of residue 394
Atom OE2 of residue 181
Atom N of residue 372
Atom O of residue 204
Atom CG2 of residue 655
Atom CD of residue 412
Atom CB of residue 320
Atom CB of residue 325
Atom CA of residue 358
Atom N of residue 420
Atom CD of residue 79
Atom C of residue 325
Atom CD of residue 269
Atom CA of residue 87
Atom CA of residue 288
ARG
ALA
Atom C of residue 585
Atom NE of residue 682
Atom CA of residue 640
Atom CA of residue 284
Atom CE2 of residue 383
THR
Atom O of residue 382
PRO
Atom CA of residue 346
Atom O of residue 255
Atom N of residue 222
GLN
Atom O of residue 311
Atom C of residue 461
Atom OG1 of residue 195
Atom N of residue 214
Atom O of residue 377
THR
THR
Atom O of residue 336
Atom NE2 of residue 449
Atom CA of residue 590
Atom CG of residue 205
Atom CG of residue 366
Atom CB of residue 275
Atom CD2 of residue 190
CYS
Atom CG2 of residue 234
GLY
Atom CG2 of residue 335
Atom OG of residue 599
Atom CG of residue 273
Atom CD of residue 481
Atom CG2 of residue 558
Atom O of residue 368
Atom C of residue 117
Atom O of residue 212
Atom N of residue 252
Atom CA of residue 313
Atom O of residue 16
Atom CB of residue 139
Atom CE1 of residue 436
Atom C of residue 346
Atom CB of residue 176
Atom N of residue 678
Atom O of residue 186
Atom CD1 of residue 395
Atom CG2 of residue 162
Atom CD of residue 555
Atom NE2 of residue 218
Atom CD of residue 431
Atom CD2 of residue 257
Atom CB of residue 224
Atom CD2 of residue 130
Atom CG of residue 510
Atom NE of residue 199
Atom CD of residue 279
Atom CD of residue 121
Atom CB of residue 157
Atom OE1 of residue 98
Atom O of residue 361
Atom CA of residue 162
Atom CG1 of residue 154
Atom CG of residue 645
Atom CE1 of residue 307
Atom CA of residue 95
Atom C of residue 390
Atom CD of residue 52
Atom C of residue 107
Atom N of residue 261
Atom NH2 of residue 434
Atom CG of residue 248
Atom N of residue 105
Atom C of residue 298
Atom CE1 of residue 266
LYS
Atom C of residue 341
Atom CA of residue 97
Atom OH of residue 166
Atom CA of residue 278
Atom OG of residue 61
Atom CG of residue 125
Atom C of residue 505
Atom SD of residue 546
Atom CZ of residue 244
Atom O of residue 209
Atom C of residue 288
Atom CB of residue 551
Atom OE1 of residue 619
Atom CB of residue 585
Atom N of residue 200
Atom CA of residue 605
Atom CZ2 of residue 320
PHE
Atom NH1 of residue 525
Atom CE2 of residue 84
Atom CB of residue 85
Atom NH2 of residue 495
Atom C of residue 267
Atom CD2 of residue 456
LYS
Atom N of residue 425
Atom CG of residue 78
Atom CA of residue 404
VAL
Atom O of residue 410
Atom N of residue 35
Atom CB of residue 491
Atom O of residue 166
Atom C of residue 261
Atom CA of residue 372
Atom CD2 of residue 226
Atom O of residue 422
Atom O of residue 64
Atom NE2 of residue 440
Atom CD of residue 181
Atom CG of residue 120
Atom OH of residue 293
MET
Atom C of residue 466
Atom CA of residue 401
Atom O of residue 247
Atom O of residue 624
ALA
Atom N of residue 331
Atom CA of residue 131
Atom CA of residue 595
Atom CG of residue 351
ASP
Atom CB of residue 152
Atom CD of residue 96
Atom C of residue 356
Atom CA of residue 521
Atom CZ of residue 383
Atom O of residue 117
Atom CA of residue 240
Atom CB of residue 212
Atom CB of residue 564
Atom CD1 of residue 341
ASP
Atom N of residue 630
Atom C of residue 179
Atom OE1 of residue 567
Atom N of residue 182
Atom CB of residue 248
Atom CB of residue 377
Atom CD of residue 43
Atom CB of residue 67
Atom C of residue 278
Atom CA of residue 303
Atom CD of residue 205
Atom NE2 of residue 388
Atom CG of residue 171
Atom CD of residue 366
Atom CG of residue 113
Atom CZ of residue 362
Atom CB of residue 373
Atom O of residue 288
Atom NE2 of residue 25
Atom CB of residue 599
Atom N of residue 656
Atom CD of residue 145
Atom CG of residue 31
Atom N of residue 559
Atom CG of residue 325
Atom OE1 of residue 103
Atom NH2 of residue 66
Atom N of residue 399
LYS
Atom O of residue 325
Atom OE1 of residue 269
Atom O of residue 461
Atom CA of residue 634
Atom C of residue 366
Atom CB of residue 515
GLY
Atom CD2 of residue 415
Atom OD1 of residue 439
Atom N of residue 337
Atom CB of residue 358
Atom OH of residue 47
Atom CD of residue 510
Atom N of residue 13
Atom CA of residue 132
Atom N of residue 151
Atom CA of residue 214
Atom O of residue 315
Atom C of residue 640
Atom CB of residue 284
GLY
Atom CB of residue 7
Atom CG of residue 283
Atom CG of residue 303
Atom CG of residue 139
Atom O of residue 107
Atom OG1 of residue 176
Atom C of residue 308
Atom CB of residue 204
GLY
Atom CG of residue 320
Atom C of residue 97
Atom N of residue 252
Atom N of residue 109
Atom NE2 of residue 116
Atom CD of residue 125
Atom O of residue 179
Atom OH of residue 244
Atom C of residue 293
Atom C of residue 394
Atom O of residue 229
Atom CA of residue 72
Atom OE1 of residue 121
Atom CA of residue 331
Atom NE of residue 412
Atom OG of residue 157
PRO
Atom O of residue 585
Atom CZ of residue 682
Atom CB of residue 361
Atom CA of residue 195
Atom CZ of residue 84
Atom O of residue 390
Atom NH1 of residue 199
Atom CA of residue 531
Atom CD of residue 40
Atom N of residue 496
Atom N of residue 435
Atom CA of residue 18
Atom CA of residue 352
Atom CD2 of residue 266
Atom N of residue 68
Atom CG2 of residue 208
Atom CB of residue 278
Atom CB of residue 303
Atom N of residue 453
Atom CB of residue 382
Atom C of residue 433
VAL
Atom CB of residue 255
ASN
Atom O of residue 594
Atom CA of residue 614
Atom NE of residue 96
Atom N of residue 336
Atom CB of residue 195
Atom CD of residue 273
Atom C of residue 113
Atom CA of residue 668
Atom CG of residue 444
Atom CB of residue 162
Atom NZ of residue 186
SER
Atom CA of residue 137
Atom N of residue 167
Atom CA of residue 68
Atom N of residue 235
Atom C of residue 436
Atom C of residue 140
Atom O of residue 346
Atom CG of residue 85
CYS
Atom CE1 of residue 551
Atom N of residue 396
Atom CA of residue 94
Atom CB of residue 64
Atom CD1 of residue 428
Atom CB of residue 486
Atom CA of residue 369
Atom C of residue 590
Atom O of residue 106
GLN
Atom CD of residue 491
Atom C of residue 87
Atom NE of residue 52
Atom OE1 of residue 481
Atom O of residue 536
Atom O of residue 466
Atom N of residue 167
Atom CG2 of residue 154
Atom C of residue 388
Atom CD1 of residue 158
Atom CB of residue 288
VAL
Atom N of residue 600
Atom O of residue 356
Atom NE2 of residue 619
LYS
Atom CA of residue 427
Atom C of residue 218
Atom C of residue 195
Atom OG of residue 564
Atom OE2 of residue 103
Atom NH2 of residue 525
Atom CG of residue 275
Atom CE1 of residue 190
Atom CD of residue 120
Atom ND2 of residue 439
Atom CG of residue 555
Atom C of residue 401
Atom NE2 of residue 98
Atom CG2 of residue 303
Atom C of residue 61
Atom N of residue 117
Atom N of residue 48
Atom CD1 of residue 171
Atom CE2 of residue 307
Atom C of residue 313
Atom NH1 of residue 476
ALA
Atom C of residue 25
Atom O of residue 298
Atom O of residue 267
SER
Atom CA of residue 126
Atom C of residue 521
Atom C of residue 668
Atom OD1 of residue 271
Atom CB of residue 240
Atom CE of residue 431
Atom N of residue 67
Atom CG of residue 224
Atom OH of residue 362
Atom CA of residue 407
Atom N of residue 423
Atom NE of residue 279
Atom CA of residue 240
Atom N of residue 294
Atom CA of residue 500
Atom CA of residue 235
Atom CB of residue 624
Atom CG of residue 358
Atom CA of residue 420
Atom CA of residue 409
Atom CA of residue 445
VAL
Atom CG of residue 546
Atom CB of residue 594
VAL
Atom N of residue 326
Atom CA of residue 406
Atom CA of residue 651
Atom N of residue 230
Atom CB of residue 72
Atom CD1 of residue 31
Atom C of residue 383
Atom CB of residue 247
Atom O of residue 505
Atom O of residue 590
Atom OG of residue 7
Atom CG of residue 212
TYR
Atom CD2 of residue 341
Atom C of residue 634
ARG
Atom OG1 of residue 377
Atom N of residue 467
Atom O of residue 97
Atom O of residue 278
Atom CE of residue 205
Atom CB of residue 179
Atom CE1 of residue 456
Atom O of residue 293
Atom CB of residue 315
Atom N of residue 395
Atom N of residue 367
Atom CZ of residue 412
Atom CD2 of residue 440
Atom O of residue 113
LEU
Atom O of residue 541
Atom O of residue 195
Atom C of residue 346
Atom C of residue 471
Atom CB of residue 413
Atom CZ of residue 209
Atom CB of residue 186
Atom CB of residue 461
Atom CB of residue 94
SER
Atom CG of residue 382
Atom C of residue 257
VAL
Atom SG of residue 255
Atom N of residue 418
Atom N of residue 163
Atom CE of residue 181
Atom N of residue 416
Atom O of residue 668
Atom CB of residue 444
Atom CD1 of residue 645
Atom CA of residue 289
Atom CD1 of residue 283
Atom OE1 of residue 366
PRO
Atom N of residue 95
Atom C of residue 244
SER
Atom CG of residue 152
Atom O of residue 140
Atom CG2 of residue 176
Atom CB of residue 18
Atom OD1 of residue 320
Atom O of residue 341
Atom C of residue 98
ALA
Atom CD2 of residue 428
THR
Atom C of residue 409
Atom CA of residue 399
TRP
Chain P
Atom N of residue 108
VAL
Atom CA of residue 57
Atom CG of residue 77
Atom C of residue 191
Atom CG of residue 361
Atom CE of residue 125
Atom CB of residue 137
Atom CB of residue 68
Atom NE of residue 510
Atom O of residue 87
Atom CE of residue 40
ARG
VAL
Atom C of residue 157
Atom OE1 of residue 145
GLN
Atom OG1 of residue 303
Atom CD1 of residue 154
Atom O of residue 408
Atom CA of residue 610
Atom ND1 of residue 113
Atom CA of residue 425
Atom CD of residue 303
Atom CD2 of residue 158
Atom O of residue 243
Atom CZ of residue 96
Atom CA of residue 261
VAL
Atom CG of residue 515
CYS
Atom CE of residue 273
Atom OE2 of residue 481
GLY
LEU
Atom C of residue 605
Atom O of residue 346
Atom NZ of residue 431
Atom CD of residue 275
Atom O of residue 261
Atom CA of residue 97
Atom CA of residue 678
ARG
Atom CZ of residue 279
Atom CG of residue 94
Atom CG of residue 409
Atom N of residue 316
Atom O of residue 640
Atom CG of residue 284
ALA
Atom CB of residue 413
Atom O of residue 313
Atom N of residue 131
Atom CG of residue 551
ALA
Atom CE1 of residue 226
Atom CG of residue 204
Atom CA of residue 83
Atom CB of residue 352
Atom CB of residue 427
Atom CE of residue 43
Atom N of residue 591
Atom OG1 of residue 240
Atom CZ of residue 307
Atom CD of residue 224
Atom OG of residue 373
Atom CZ of residue 52
Atom C of residue 614
HIS
Atom CD2 of residue 248
Atom CA of residue 105
Atom CB of residue 214
Atom CA of residue 109
Atom N of residue 272
Atom CA of residue 433
Atom O of residue 388
Atom CG of residue 491
Atom O of residue 672
Atom CB of residue 390
Atom N of residue 316
Atom CG of residue 288
Atom CA of residue 379
Atom CB of residue 331
Atom N of residue 357
Atom C of residue 536
Atom O of residue 570
Atom C of residue 126
ARG
Atom CG of residue 247
Atom CD1 of residue 325
TRP
Atom CE of residue 186
Atom N of residue 506
Atom CB of residue 195
Atom N of residue 403
Atom C of residue 103
Atom CG of residue 68
Atom OE2 of residue 269
Atom O of residue 634
Atom C of residue 240
Atom CB of residue 235
Atom N of residue 440
Atom OG1 of residue 162
Atom C of residue 117
Atom C of residue 445
Atom CD1 of residue 408
Atom C of residue 610
Atom CD2 of residue 171
Atom CA of residue 252
Atom CE2 of residue 456
Atom CA of residue 222
Atom ND1 of residue 139
Atom O of residue 436
Atom N of residue 347
Atom CA of residue 151
Atom CA of residue 600
PRO
Atom CE1 of residue 440
Atom NZ of residue 181
Atom O of residue 605
Atom CB of residue 668
Atom O of residue 471
Atom CE of residue 546
ALA
Atom CE2 of residue 190
Atom CB of residue 132
Atom OG1 of residue 72
LYS
VAL
Atom OE2 of residue 121
SER
PRO
Atom CA of residue 200
Atom CD1 of residue 358
Atom O of residue 409
Atom CZ3 of residue 320
Atom CD1 of residue 351
Atom NH1 of residue 209
Atom N of residue 187
Atom CD of residue 57
ILE
Atom O of residue 218
Atom O of residue 39
Atom CA of residue 107
Atom C of residue 47
Atom O of residue 257
Atom CD1 of residue 152
Atom O of residue 98
LEU
Atom OG1 of residue 18
Atom NE2 of residue 145
Atom O of residue 383
Atom CB of residue 368
Atom NZ of residue 205
Atom N of residue 526
Atom CA of residue 630
THR
Atom NH2 of residue 476
Atom N of residue 294
VAL
Atom CD1 of residue 515
Atom N of residue 299
Atom N of residue 114
Atom CG2 of residue 377
Atom C of residue 500
Atom CB of residue 341
Atom CB of residue 289
Atom C of residue 373
Atom C of residue 531
Atom C of residue 40
VAL
Atom O of residue 157
ALA
Atom CA of residue 559
Atom O of residue 521
Atom C of residue 541
Atom CD2 of residue 645
Atom OD1 of residue 212
Atom CB of residue 610
Atom C of residue 341
LYS
Atom NE of residue 303
LEU
Atom CD1 of residue 85
Atom OD1 of residue 204
Atom N of residue 620
Atom NE2 of residue 444
Atom CG1 of residue 624
Atom C of residue 420
Atom CB of residue 471
Atom CD2 of residue 283
Atom CA of residue 331
Atom N of residue 595
Atom CA of residue 367
Atom N of residue 482
Atom OD2 of residue 320
Atom N of residue 641
Atom CD of residue 284
Atom CB of residue 200
Atom CA of residue 252
Atom SG of residue 413
Atom CA of residue 35
Atom CA of residue 418
SER
VAL
Atom CB of residue 404
Atom N of residue 262
Atom CA of residue 396
Atom NE2 of residue 226
Atom OG1 of residue 352
Atom N of residue 586
Atom NH1 of residue 682
Atom N of residue 121
Atom O of residue 401
Atom NZ of residue 125
GLU
Atom C of residue 362
Atom SG of residue 132
Atom O of residue 614
Atom CA of residue 182
Atom CG2 of residue 195
Atom CA of residue 656
Atom N of residue 268
Atom O of residue 191
Atom CD2 of residue 408
Atom CG of residue 137
Atom N of residue 565
Atom CD2 of residue 113
Atom OH of residue 307
Atom N of residue 391
GLU
Atom CA of residue 336
Atom CG of residue 461
Atom CE1 of residue 64
Atom C of residue 331
Atom NZ of residue 273
Atom CA of residue 88
Atom CB of residue 97
Atom NZ of residue 43
Atom O of residue 98
Atom CA of residue 167
Atom CA of residue 337
Atom SG of residue 486
Atom CA of residue 453
Atom C of residue 431
Atom OE2 of residue 366
Atom NE of residue 491
Atom CE of residue 275
Atom O of residue 244
Atom O of residue 531
Atom CB of residue 98
Atom CA of residue 312
Atom NH1 of residue 279
Atom C of residue 121
Atom O of residue 25
Atom C of residue 105
Atom CB of residue 316
Atom CG of residue 235
Atom CD2 of residue 31
Atom CD1 of residue 361
Atom CG2 of residue 162
Atom CD2 of residue 325
Atom O of residue 445
CYS
VAL
Atom N of residue 270
Atom CD2 of residue 139
Atom NH2 of residue 199
Atom N of residue 437
GLY
Atom C of residue 176
Atom C of residue 379
Atom CD1 of residue 248
Atom CB of residue 409
Atom O of residue 61
Atom CG2 of residue 240
Atom CE of residue 224
Atom C of residue 331
Atom CZ of residue 510
Atom NH1 of residue 52
Atom CD1 of residue 78
Atom OG of residue 200
Atom C of residue 413
Atom C of residue 186
Atom O of residue 298
Atom C of residue 7
Atom C of residue 252
Atom N of residue 547
Atom C of residue 222
Atom OH of residue 190
Atom C of residue 651
Atom CB of residue 87
Atom CD of residue 288
Atom CA of residue 435
Atom O of residue 68
Atom N of residue 219
Atom ND2 of residue 271
LYS
Atom CG of residue 195
Atom N of residue 389
Atom C of residue 425
Atom N of residue 635
Atom C of residue 656
Atom NH1 of residue 412
Atom CB of residue 57
Atom CA of residue 294
Atom OE1 of residue 555
Atom N of residue 384
Atom CD of residue 278
Atom OG1 of residue 368
Atom O of residue 610
Atom N of residue 258
Atom CA of residue 167
Atom CZ of residue 456
Atom CA of residue 13
Atom N of residue 477
SER
Atom CA of residue 163
Atom C of residue 440
ARG
Atom N of residue 378
Atom O of residue 500
LEU
Atom CB of residue 401
Atom OG of residue 668
Atom CG2 of residue 624
Atom CD of residue 382
Atom CE of residue 147
Atom CZ of residue 491
Atom N of residue 256
Atom C of residue 95
Atom CB of residue 313
Atom CB of residue 312
Atom ND1 of residue 551
Atom CA of residue 423
HIS
Atom OG1 of residue 427
Atom CB of residue 521
Atom OD2 of residue 212
Atom O of residue 341
Atom C of residue 630
Atom CA of residue 235
Atom N of residue 141
Atom CD2 of residue 85
GLU
Atom NE1 of residue 428
Atom O of residue 420
Atom CA of residue 591
Atom O of residue 47
Atom CE1 of residue 171
Atom O of residue 331
Atom CZ of residue 393
Atom CG2 of residue 72
Atom CG of residue 186
ARG
Atom C of residue 181
Atom N of residue 342
Atom O of residue 126
Atom C of residue 559
Atom C of residue 109
Atom CH2 of residue 320
Atom N of residue 409
Atom O of residue 107
Atom C of residue 205
HIS
CYS
GLY
Atom NH1 of residue 89
Atom O of residue 651
Atom CG of residue 40
Atom OG of residue 404
Atom CD1 of residue 461
Atom CG2 of residue 18
Atom O of residue 240
Atom CG of residue 585
GLY
Atom N of residue 155
Atom CB of residue 346
Atom N of residue 472
Atom N of residue 159
Atom O of residue 373
Atom CA of residue 496
Atom C of residue 151
Atom C of residue 261
Atom CD of residue 94
Atom N of residue 26
Atom O of residue 656
Atom C of residue 83
Atom C of residue 31
Atom O of residue 303
Atom O of residue 103
Atom CB of residue 35
Atom CZ of residue 303
Atom C of residue 131
Atom O of residue 176
Atom C of residue 195
Atom CE2 of residue 266
Atom CG of residue 97
Atom N of residue 62
Atom N of residue 118
Atom CD2 of residue 358
Atom N of residue 284
Atom N of residue 367
Atom CA of residue 326
Atom NH2 of residue 209
GLU
Atom C of residue 678
Atom CG of residue 312
Atom CD2 of residue 515
Atom N of residue 321
THR
Atom NE of residue 284
Atom C of residue 200
Atom CD2 of residue 361
Atom N of residue 646
Atom CD1 of residue 137
Atom O of residue 67
Atom OD1 of residue 68
Atom CB of residue 108
Atom CD of residue 413
Atom N of residue 394
Atom CG2 of residue 352
Atom CB of residue 337
Atom CE1 of residue 325
Atom C of residue 453
ALA
Atom N of residue 126
Atom CA of residue 403
Atom NH1 of residue 510
SER
Atom C of residue 132
GLU
Atom CA of residue 53
Atom N of residue 615
Atom CA of residue 230
Atom NH2 of residue 412
Atom OD2 of residue 204
Atom NE2 of residue 555
Atom CB of residue 191
Atom CB of residue 252
Atom SD of residue 247
Atom CD2 of residue 444
Atom CB of residue 298
Atom O of residue 7
Atom OG of residue 289
Atom O of residue 222
Atom NH2 of residue 89
Atom N of residue 245
Atom CG of residue 87
Atom C of residue 404
Atom O of residue 331
Atom CD2 of residue 406
Atom N of residue 99
Atom N of residue 606
Atom OE1 of residue 382
Atom O of residue 186
Atom NZ of residue 147
SER
GLN
Atom O of residue 362
Atom O of residue 425
PHE
Atom CG of residue 98
Atom CA of residue 63
Atom O of residue 121
PHE
Atom O of residue 266
Atom CD of residue 235
Atom O of residue 413
Atom CD2 of residue 152
Atom C of residue 435
Atom NH2 of residue 682
Atom CA of residue 440
Atom CB of residue 68
Atom CA of residue 62
GLY
Atom CB of residue 445
Atom CG1 of residue 399
Atom CB of residue 331
Atom OG1 of residue 313
THR
Atom O of residue 678
Atom O of residue 261
Atom O of residue 600
Atom CB of residue 536
Atom CA of residue 416
Atom CG2 of residue 427
Atom O of residue 109
Atom CB of residue 167
Atom NZ of residue 275
Atom CB of residue 13
Atom N of residue 200
GLU
Atom CA of residue 108
Atom N of residue 289
Atom NE1 of residue 248
Atom C of residue 145
Atom CE2 of residue 428
SER
HIS
PRO
Atom CD of residue 195
Atom CE2 of residue 171
Atom C of residue 182
Atom CA of residue 357
GLU
Atom CB of residue 656
Atom O of residue 409
Atom N of residue 127
Atom N of residue 487
Atom CE of residue 247
Atom O of residue 431
Atom N of residue 104
Atom NZ of residue 224
Atom C of residue 89
CYS
Atom C of residue 235
Atom CD2 of residue 78
Atom CE1 of residue 85
Atom NH2 of residue 279
Atom C of residue 18
Atom N of residue 241
Atom O of residue 105
Atom CA of residue 299
Atom N of residue 158
Atom CB of residue 500
Atom CA of residue 467
Atom OG of residue 401
Atom N of residue 669
Atom C of residue 358
Atom C of residue 320
Atom CE1 of residue 113
GLU
HIS
Atom C of residue 496
Atom O of residue 151
Atom CD of residue 312
Atom C of residue 63
Atom CG of residue 57
Atom O of residue 83
Atom CD of residue 585
Atom CG of residue 521
Atom C of residue 240
THR
Atom CG of residue 35
Atom N of residue 342
Atom C of residue 307
Atom CD2 of residue 351
Atom O of residue 372
Atom O of residue 379
Atom C of residue 294
Atom CA of residue 126
Atom O of residue 135
Atom CA of residue 78
Atom CG1 of residue 672
Atom O of residue 252
HIS
Atom CA of residue 316
Atom CA of residue 262
Atom CD2 of residue 551
Atom C of residue 396
Atom CG1 of residue 214
Atom CA of residue 114
Atom CZ of residue 266
Atom C of residue 43
Atom CG of residue 278
Atom N of residue 625
Atom CA of residue 414
Atom C of residue 271
Atom CA of residue 506
Atom CG2 of residue 369
Atom CB of residue 107
Atom O of residue 205
Atom CA of residue 565
Atom O of residue 95
Atom NH2 of residue 52
CYS
Atom CA of residue 121
Atom CA of residue 606
Atom OG of residue 337
Atom C of residue 162
Atom CB of residue 541
Atom O of residue 117
Atom N of residue 457
Atom CA of residue 294
Atom CB of residue 531
Atom CA of residue 347
Atom NE of residue 94
Atom C of residue 163
GLY
Atom O of residue 440
Atom N of residue 153
GLN
Atom C of residue 167
Atom O of residue 31
Atom CE1 of residue 444
Atom C of residue 289
Atom CA of residue 547
Atom O of residue 89
Atom C of residue 152
Atom C of residue 336
Atom C of residue 72
Atom C of residue 467
Atom CB of residue 109
ASP
VAL
Atom O of residue 630
TYR
Atom CE1 of residue 139
Atom CB of residue 230
Atom CD2 of residue 461
ASP
Atom CA of residue 620
Atom O of residue 181
Atom O of residue 200
Atom N of residue 362
Atom N of residue 8
Atom CB of residue 420
Atom OD2 of residue 68
Atom N of residue 363
Atom C of residue 595
Atom N of residue 374
Atom O of residue 404
Atom C of residue 568
Atom N of residue 227
Atom OD1 of residue 186
Atom CB of residue 105
Atom O of residue 145
Atom HET:HG   of residue 693
Atom CG of residue 445
Atom CA of residue 526
Atom NH2 of residue 510
Atom O of residue 131
Atom CB of residue 326
Atom C of residue 209
Atom NE2 of residue 99
Atom N of residue 177
Atom N of residue 413
Atom OG of residue 191
Atom C of residue 303
Atom CG of residue 298
GLU
Atom C of residue 275
Atom CG1 of residue 13
Atom N of residue 274
GLN
Atom CG1 of residue 536
Atom CZ of residue 284
GLY
PRO
Atom NE2 of residue 382
GLY
Atom C of residue 147
Atom CA of residue 256
Atom NE2 of residue 113
Atom CB of residue 222
Atom NH1 of residue 303
VAL
Atom O of residue 182
Atom O of residue 396
Atom O of residue 195
Atom CE1 of residue 515
CYS
Atom CD of residue 409
Atom C of residue 416
Atom CA of residue 244
Atom N of residue 248
Atom O of residue 240
Atom CG of residue 107
Atom N of residue 432
Atom CG2 of residue 610
Atom C of residue 224
Atom O of residue 235
Atom O of residue 336
Atom CG1 of residue 367
Atom C of residue 279
Atom N of residue 122
Atom O of residue 467
Atom CA of residue 641
Atom O of residue 559
Atom CG of residue 331
Atom CB of residue 261
Atom CB of residue 423
Atom N of residue 205
Atom C of residue 357
Atom C of residue 352
Atom CG2 of residue 368
Atom C of residue 427
Atom O of residue 167
Atom O of residue 453
Atom C of residue 403
Atom CB of residue 399
Atom O of residue 132
Atom CA of residue 477
Atom CB of residue 651
Atom CE1 of residue 184
Atom C of residue 52
ILE
Atom CD1 of residue 98
Atom CB of residue 372
LEU
Atom C of residue 600
Atom N of residue 380
Atom CB of residue 294
GLN
Atom O of residue 162
Atom CA of residue 155
Atom CB of residue 135
Atom OE1 of residue 195
Atom CZ of residue 171
Atom CB of residue 252
Atom CA of residue 391
Atom CA of residue 270
Atom N of residue 332
Atom CA of residue 482
Atom CG1 of residue 656
Chain A
Atom O of residue 43
Atom C of residue 369
Atom CB of residue 418
Atom CB of residue 425
Atom CA of residue 405
Atom NE2 of residue 551
Atom CA of residue 635
Atom CE of residue 235
Atom CA of residue 99
GLU
Atom CA of residue 219
Atom CD2 of residue 137
SER
CYS
Atom C of residue 190
Atom CA of residue 437
Atom C of residue 316
Atom CE2 of residue 85
Atom NE of residue 312
Atom O of residue 435
Atom O of residue 163
Atom CE2 of residue 248
Atom N of residue 441
Atom CB of residue 114
Atom CB of residue 83
Atom C of residue 121
Atom C of residue 244
SER
ARG
Atom CG of residue 541
Atom CA of residue 556
Atom C of residue 506
Atom CA of residue 104
Atom N of residue 352
Atom NE2 of residue 531
Atom OE1 of residue 278
Atom CE2 of residue 325
Atom N of residue 187
Atom CG1 of residue 346
Atom CB of residue 72
Atom CD of residue 35
Atom CG of residue 167
Atom CB of residue 630
Atom NE2 of residue 139
Atom ND1 of residue 87
Atom CB of residue 294
Atom CB of residue 347
Atom CG1 of residue 230
Atom CG of residue 423
Atom CZ of residue 94
Atom CB of residue 299
Atom CG2 of residue 214
Atom N of residue 182
Atom N of residue 402
Atom CA of residue 253
Atom CA of residue 219
Atom O of residue 358
Atom N of residue 421
Atom O of residue 307
Atom CB of residue 95
Atom O of residue 595
Atom O of residue 568
Atom O of residue 72
GLY
Atom CD1 of residue 521
Atom CB of residue 559
Atom CA of residue 384
Atom C of residue 337
Atom CA of residue 258
Atom C of residue 270
Atom CG1 of residue 108
Atom N of residue 100
Atom C of residue 482
Atom CA of residue 378
Atom CG of residue 500
Atom C of residue 444
Atom O of residue 271
MET
THR
Atom CA of residue 646
Atom O of residue 289
Atom CA of residue 389
Atom CG2 of residue 313
Atom O of residue 496
Atom CB of residue 151
Atom CA of residue 26
Atom CB of residue 467
Atom CA of residue 342
Atom NH1 of residue 284
Atom N of residue 32
Atom OG1 of residue 109
GLY
Atom C of residue 526
ALA
Atom CA of residue 284
Atom CG of residue 222
Atom NH2 of residue 303
Atom CB of residue 678
Atom CB of residue 182
Atom CE2 of residue 515
Atom CG of residue 114
Atom CA of residue 321
Atom O of residue 352
Atom O of residue 416
Atom C of residue 440
Atom N of residue 201
Atom SG of residue 67
ALA
GLY
Atom N of residue 133
GLN
Atom N of residue 146
Atom OE1 of residue 409
LEU
THR
Atom N of residue 304
Atom C of residue 565
Atom NH1 of residue 491
Atom CG2 of residue 672
Atom CB of residue 131
Atom O of residue 152
Atom CA of residue 141
ASP
SER
VAL
PHE
Atom C of residue 620
Atom N of residue 192
Atom CB of residue 453
Atom O of residue 403
Atom O of residue 275
Atom CA of residue 615
Atom CD2 of residue 98
Atom OD2 of residue 186
GLN
Atom CA of residue 158
Atom C of residue 57
Atom CB of residue 73
Atom NZ of residue 235
Atom C of residue 641
SER
Atom O of residue 320
Atom CE1 of residue 137
Atom N of residue 90
Atom CG2 of residue 13
Atom N of residue 652
Atom NE1 of residue 461
Atom CB of residue 396
Atom O of residue 18
Atom CB of residue 482
Atom O of residue 121
Atom C of residue 252
Atom N of residue 383
VAL
Atom N of residue 241
TYR
ALA
Atom O of residue 147
Atom CA of residue 367
Atom O of residue 224
Atom CG of residue 418
Atom CA of residue 159
Atom CG of residue 425
Atom O of residue 279
Atom C of residue 342
Atom CA of residue 487
Atom N of residue 414
Atom OD1 of residue 298
Atom N of residue 107
Atom C of residue 391
Atom CD of residue 331
Atom CB of residue 235
Atom O of residue 316
Atom CB of residue 262
LEU
Atom CZ of residue 85
CYS
Atom CB of residue 435
Atom CB of residue 367
Atom N of residue 196
Atom C of residue 266
Atom O of residue 294
Atom C of residue 368
Atom CB of residue 167
Atom CZ of residue 325
Atom O of residue 506
Atom O of residue 369
Atom N of residue 114
Atom O of residue 547
Atom N of residue 511
Atom CA of residue 289
Atom C of residue 635
Atom C of residue 393
Atom CE3 of residue 248
SER
Atom CE3 of residue 428
Atom N of residue 163
Atom C of residue 219
Atom OE2 of residue 195
Atom O of residue 526
Atom CG of residue 72
Atom OE1 of residue 35
Atom CD of residue 167
Atom CA of residue 245
Atom CD2 of residue 87
Atom ND1 of residue 437
Atom OG of residue 347
Atom CG2 of residue 656
Atom CG of residue 299
Atom CG2 of residue 536
Atom SD of residue 500
Atom C of residue 153
ALA
Atom O of residue 440
Atom CA of residue 44
Atom NE2 of residue 278
PHE
Atom CG1 of residue 610
Atom C of residue 256
Atom CB of residue 496
Atom O of residue 427
Atom CD2 of residue 521
Atom CD of residue 97
Atom CA of residue 669
Atom C of residue 248
Atom C of residue 62
Atom CA of residue 472
Atom CA of residue 48
THR
Atom N of residue 673
Atom N of residue 308
Atom C of residue 68
Atom CA of residue 457
Atom C of residue 477
Atom O of residue 270
Atom O of residue 52
Atom CZ of residue 312
Atom CB of residue 219
Atom C of residue 591
Atom C of residue 155
Atom N of residue 314
Atom CD of residue 418
PHE
GLY
Atom N of residue 152
Atom CG1 of residue 261
Atom O of residue 357
Chain P
Atom O of residue 342
ALA
Atom CD of residue 384
Atom C of residue 487
TYR
Atom CA of residue 342
Atom CG of residue 630
Atom O of residue 190
Atom CG1 of residue 326
Atom CA of residue 200
Atom CG of residue 531
Atom CG2 of residue 230
Atom C of residue 214
Atom C of residue 378
ALA
Atom C of residue 316
Atom O of residue 252
Atom CB of residue 65
Atom CA of residue 625
Atom C of residue 76
Atom CD of residue 445
Atom N of residue 206
Atom CB of residue 389
Atom CB of residue 568
Atom C of residue 26
Atom CG of residue 73
Atom O of residue 57
Atom CA of residue 127
Atom CG of residue 559
Atom O of residue 565
Atom CG2 of residue 108
Atom CG of residue 262
Atom N of residue 19
Atom O of residue 482
Atom CA of residue 241
Atom CG of residue 105
Atom O of residue 620
Atom CD1 of residue 406
ALA
Atom CA of residue 309
VAL
Atom OG of residue 372
Atom O of residue 79
Atom CB of residue 336
Atom CB of residue 163
Atom CA of residue 413
HIS
Atom CG of residue 467
Atom O of residue 641
Atom NH2 of residue 284
Atom O of residue 248
Atom CD of residue 541
Atom CA of residue 8
Atom C of residue 472
Atom CB of residue 258
Atom OH of residue 171
Atom CA of residue 90
Atom C of residue 13
Atom CB of residue 141
Atom CE2 of residue 461
THR
Atom CZ of residue 515
Atom CG of residue 65
SER
SER
Atom N of residue 359
Atom N of residue 321
Atom C of residue 646
Atom CG2 of residue 346
Atom N of residue 148
SER
Atom CG1 of residue 252
Atom C of residue 547
Atom CG of residue 294
Atom C of residue 615
Atom O of residue 266
Atom CB of residue 416
Atom CB of residue 487
HIS
Atom ND2 of residue 298
Atom N of residue 290
Atom CB of residue 104
Atom OG of residue 235
Atom C of residue 200
Atom N of residue 153
Atom N of residue 53
Atom N of residue 405
Atom CA of residue 177
VAL
Atom CA of residue 205
TRP
ASN
ASP
Atom N of residue 44
Atom O of residue 337
Atom CG of residue 453
ASN
Atom CG of residue 135
Atom C of residue 367
Atom C of residue 159
Atom N of residue 426
Atom CA of residue 227
Atom CA of residue 196
Atom CA of residue 274
Atom CA of residue 58
Atom N of residue 353
Atom CZ2 of residue 428
Atom O of residue 444
Atom CE2 of residue 137
Atom CZ2 of residue 248
Atom CD of residue 105
Atom CA of residue 362
Atom CA of residue 304
Atom C of residue 67
Atom O of residue 256
Atom N of residue 304
Atom CG of residue 651
Atom CG2 of residue 261
Atom CG1 of residue 182
Atom CA of residue 332
Atom CB of residue 342
Atom N of residue 428
Atom C of residue 606
Atom NE of residue 97
Atom CB of residue 248
Atom C of residue 126
LYS
Atom CB of residue 472
Atom CG2 of residue 399
Atom N of residue 96
Atom N of residue 332
Atom CA of residue 363
Atom CB of residue 90
Atom CB of residue 477
Atom N of residue 317
Atom N of residue 73
Atom CD of residue 423
Atom CB of residue 600
Atom NE2 of residue 409
Atom N of residue 122
Atom C of residue 235
Atom O of residue 76
Atom CB of residue 506
Atom O of residue 155
Atom N of residue 446
Atom O of residue 391
ALA
Atom N of residue 140
Atom NH1 of residue 94
Atom CB of residue 357
HG
Atom C of residue 231
Atom CB of residue 403
Atom N of residue 611
Atom CD1 of residue 104
Atom N of residue 276
Atom O of residue 200
GLY
Atom C of residue 347
Atom N of residue 657
Atom CD of residue 299
Atom CB of residue 158
Atom CE of residue 500
Atom CB of residue 440
LEU
GLU
Atom OH of residue 325
Atom CB of residue 526
Atom OG of residue 389
Atom CE of residue 418
Atom N of residue 191
Atom CG2 of residue 326
Atom CB of residue 277
ALA
Atom N of residue 373
SER
Atom N of residue 397
THR
Atom CD1 of residue 114
Atom O of residue 153
Atom CE1 of residue 521
Atom N of residue 370
PHE
Atom CA of residue 432
Atom CB of residue 342
Atom O of residue 68
Atom CA of residue 374
Atom NH1 of residue 312
Atom N of residue 280
Atom N of residue 537
Atom C of residue 625
Atom CD1 of residue 135
Atom CG2 of residue 252
Atom CD of residue 222
Atom CG of residue 131
Atom CD of residue 262
Atom OG1 of residue 63
Atom CG of residue 163
Atom CG of residue 167
Atom CB of residue 127
Atom O of residue 487
Atom CG of residue 248
Atom C of residue 171
Atom C of residue 284
LEU
Atom CG of residue 141
Atom N of residue 552
Atom O of residue 635
GLY
Atom CA of residue 122
Atom C of residue 241
Atom C of residue 321
Atom CA of residue 243
Atom N of residue 338
Atom C of residue 309
VAL
Atom N of residue 219
Atom N of residue 225
Atom C of residue 457
Atom CG of residue 437
Atom CD of residue 294
Atom CG1 of residue 416
GLY
THR
Atom OD1 of residue 425
GLN
Atom N of residue 99
Atom SG of residue 678
ILE
Atom CA of residue 380
Atom CA of residue 146
Atom CB of residue 620
Atom CA of residue 586
Atom O of residue 316
Atom C of residue 99
Atom CG of residue 83
THR
Atom CA of residue 114
Atom CD1 of residue 630
Atom O of residue 159
ASN
Atom CG2 of residue 182
Atom C of residue 227
Atom CG1 of residue 435
Atom CA of residue 441
Atom CD of residue 467
Atom CB of residue 641
Atom OXT of residue 444
Atom OG of residue 219
Atom N of residue 77
Atom O of residue 472
SER
Atom CA of residue 352
Atom CB of residue 177
Atom CE3 of residue 461
Atom CA of residue 192
Atom CA of residue 201
Atom CD1 of residue 559
Atom CB of residue 384
Atom N of residue 279
SER
Atom CB of residue 48
Atom CE of residue 167
Atom CD of residue 531
Atom OH of residue 85
Atom C of residue 230
Atom O of residue 214
Atom O of residue 378
Atom CA of residue 182
Atom N of residue 253
Atom N of residue 542
Atom CA of residue 421
Atom N of residue 299
Atom O of residue 284
Atom CB of residue 595
Atom CB of residue 200
Atom N of residue 210
TYR
Atom CG1 of residue 568
ILE
Atom O of residue 321
Atom C of residue 362
Atom N of residue 347
Atom NE1 of residue 72
Atom NE2 of residue 35
Atom CB of residue 565
Atom C of residue 399
PRO
VAL
Atom CE1 of residue 87
Atom CG of residue 496
Atom C of residue 289
ALA
Atom O of residue 423
Atom SG of residue 600
Atom CB of residue 66
Atom N of residue 267
Atom CB of residue 414
Atom CG of residue 403
Atom NH2 of residue 491
CYS
Atom CA of residue 96
PHE
GLN
Atom NE of residue 105
Atom CG of residue 158
Atom N of residue 317
Atom CG2 of residue 109
Atom CA of residue 163
Atom N of residue 592
Atom CZ of residue 137
LYS
Atom CB of residue 391
Atom CE of residue 222
LEU
Atom O of residue 477
Atom C of residue 101
Atom CG2 of residue 367
Atom N of residue 516
Atom NH2 of residue 94
Atom C of residue 205
Atom C of residue 274
Atom CG of residue 342
VAL
Atom CD of residue 167
Atom C of residue 669
Atom CD1 of residue 453
SER
Atom CA of residue 241
ALA
GLU
Atom CE2 of residue 245
Atom CA of residue 133
Atom O of residue 615
Atom ND1 of residue 196
Atom O of residue 26
Atom CA of residue 32
PRO
Atom C of residue 108
Atom O of residue 85
Atom CB of residue 332
Atom CG of residue 357
Atom CA of residue 537
ALA
Atom CA of residue 3
Atom CB of residue 153
Atom C of residue 284
Atom O of residue 126
Atom N of residue 196
Atom CB of residue 432
Atom SG of residue 526
Atom O of residue 367
Atom CB of residue 363
Atom C of residue 374
Atom C of residue 326
GLN
Atom CB of residue 635
ARG
Atom C of residue 409
Atom O of residue 99
Atom CB of residue 8
Atom CD of residue 83
Atom OG of residue 48
LYS
Atom O of residue 457
Atom CD1 of residue 131
Atom CB of residue 437
Atom O of residue 289
Atom CG2 of residue 435
Atom CD2 of residue 114
Atom O of residue 402
Atom CZ3 of residue 428
Atom CG of residue 414
Atom C of residue 389
Atom CG of residue 258
Atom CB of residue 256
Atom ND2 of residue 425
Atom OD1 of residue 651
Atom CA of residue 210
Atom NH2 of residue 312
VAL
Atom CB of residue 122
Atom C of residue 413
Atom CD of residue 482
PHE
Atom O of residue 235
Atom CD2 of residue 606
Atom O of residue 62
Atom O of residue 646
Atom CD2 of residue 135
GLN
Atom CA of residue 611
Atom CE2 of residue 72
Atom N of residue 253
Atom NZ of residue 167
Atom CD2 of residue 630
Atom O of residue 13
Atom CG of residue 90
ASN
Atom O of residue 230
Atom O of residue 227
Atom OG of residue 294
Atom O of residue 669
Atom C of residue 219
THR
Atom CA of residue 383
Atom N of residue 557
Atom CG of residue 506
Atom CB of residue 155
VAL
Atom O of residue 171
Atom CA of residue 511
Atom CE1 of residue 270
SER
Atom CD2 of residue 53
Atom CG2 of residue 568
Atom CG of residue 196
Atom CB of residue 380
Atom CZ3 of residue 248
Atom OG1 of residue 127
Atom CD2 of residue 559
Atom CG of residue 384
Atom CA of residue 359
Atom O of residue 591
Atom CA of residue 206
Atom C of residue 35
Atom N of residue 236
Atom OE1 of residue 294
Atom CD of residue 141
Atom O of residue 347
Atom CG1 of residue 336
Atom O of residue 241
Atom ND1 of residue 441
Atom NE of residue 299
Atom N of residue 215
Atom CD of residue 73
Atom CB of residue 378
Atom N of residue 58
Atom N of residue 501
Atom CG of residue 440
Atom N of residue 326
Atom CA of residue 290
Atom C of residue 352
Atom CA of residue 552
Atom N of residue 27
Atom N of residue 110
Atom CA of residue 542
Atom CA of residue 272
Atom CG of residue 565
Atom C of residue 342
Atom CA of residue 673
Atom CA of residue 308
Atom N of residue 69
Atom OG of residue 595
Atom NE2 of residue 87
Atom CA of residue 19
Atom CB of residue 182
Atom N of residue 468
VAL
Atom O of residue 625
Atom C of residue 421
Atom CA of residue 347
Atom N of residue 492
Atom CB of residue 159
Atom CB of residue 405
Atom CA of residue 152
Atom N of residue 262
Atom O of residue 413
in 15.930s ... ok
Simple test of EM2D score application ... em2d_score /scratch/nightly-build-3697/imp-SVN.r14111/applications/integrative_docking/test/input/2p4e.pdb /scratch/nightly-build-3697/imp-SVN.r14111/applications/integrative_docking/test/input/model4.pdb /scratch/nightly-build-3697/imp-SVN.r14111/applications/integrative_docking/test/input/transforms10 /scratch/nightly-build-3697/imp-SVN.r14111/applications/integrative_docking/test/input/image_1.pgm /scratch/nightly-build-3697/imp-SVN.r14111/applications/integrative_docking/test/input/image_2.pgm /scratch/nightly-build-3697/imp-SVN.r14111/applications/integrative_docking/test/input/image_3.pgm -s 2.2 -n 200 
Receptor /scratch/nightly-build-3697/imp-SVN.r14111/applications/integrative_docking/test/input/2p4e.pdb ligand /scratch/nightly-build-3697/imp-SVN.r14111/applications/integrative_docking/test/input/model4.pdb trans file /scratch/nightly-build-3697/imp-SVN.r14111/applications/integrative_docking/test/input/transforms10
4400 atoms were read from file /scratch/nightly-build-3697/imp-SVN.r14111/applications/integrative_docking/test/input/2p4e.pdb
3424 atoms were read from file /scratch/nightly-build-3697/imp-SVN.r14111/applications/integrative_docking/test/input/model4.pdb
Image width = 110 height = 110 max color val = 255
Image width = 110 height = 110 max color val = 255
Image width = 110 height = 110 max color val = 255
Max distance = 136.684 threshold 129.849
Image 0 Best projection 8 60.7273 0 0 0.956441 0
Image 1 Best projection 176 102.016 0 0 0.942828 0
Image 2 Best projection 34 200.819 0 0 0.94691 0
Transform: 0 | 0.948726 | 0.885369 -0.2878 -0.363943 0.0289545 || (82.62, 59.28, -1.011)
Image 0 Best projection 8 66.3251 0 0 0.954957 0
Image 1 Best projection 176 96.7903 0 0 0.937965 0
Image 2 Best projection 55 214.944 0 0 0.952796 0
Transform: 1 | 0.948573 | 0.936686 -0.156171 -0.297768 0.0977994 || (75.69, 67.15, -0.3048)
Image 0 Best projection 18 -2.63004 0 0 0.954611 0
Image 1 Best projection 177 82.8248 0 0 0.944182 0
Image 2 Best projection 35 215.657 0 0 0.941264 0
Transform: 2 | 0.946686 | 0.919489 -0.209453 -0.331709 -0.0252783 || (84.94, 58.97, 3.343)
Image 0 Best projection 33 -20.2402 0 0 0.947739 0
Image 1 Best projection 176 94.0595 0 0 0.934408 0
Image 2 Best projection 54 202.089 0 0 0.951565 0
Transform: 3 | 0.94457 | 0.939604 -0.18398 -0.24281 0.156011 || (64.77, 67.4, -8.547)
Image 0 Best projection 170 -121.324 0 0 0.952135 0
Image 1 Best projection 13 -141.859 0 0 0.940216 0
Image 2 Best projection 171 72.3652 0 0 0.943596 0
Transform: 4 | 0.945315 | 0.367553 -0.603749 0.672282 0.220064 || (-27.56, 9.718, 17.52)
Image 0 Best projection 185 -114.459 0 0 0.95091 0
Image 1 Best projection 3 197.867 0 0 0.932851 0
Image 2 Best projection 171 78.0449 0 0 0.950104 0
Transform: 5 | 0.944622 | 0.361231 -0.412601 0.797644 0.251069 || (-24.84, 19.74, 24.11)
Image 0 Best projection 170 -122.98 0 0 0.949282 0
Image 1 Best projection 12 199.383 0 0 0.938631 0
Image 2 Best projection 151 83.7775 0 0 0.947222 0
Transform: 6 | 0.945045 | 0.431571 -0.563967 0.683474 0.168969 || (-20.62, 0.9181, 12.18)
Image 0 Best projection 18 -7.59236 0 0 0.95551 0
Image 1 Best projection 177 87.2614 0 0 0.94374 0
Image 2 Best projection 35 210.383 0 0 0.94346 0
Transform: 7 | 0.94757 | 0.880682 -0.269008 -0.370728 -0.120808 || (92.21, 53.57, 1.334)
Image 0 Best projection 34 -15.8019 0 0 0.959015 0
Image 1 Best projection 159 89.7029 0 0 0.942542 0
Image 2 Best projection 55 205.542 0 0 0.945863 0
Transform: 8 | 0.94914 | 0.932902 -0.259141 -0.244257 -0.0536557 || (83.29, 57.29, -2.52)
Image 0 Best projection 137 144.982 0 0 0.947115 0
Image 1 Best projection 53 -76.7277 0 0 0.926034 0
Image 2 Best projection 139 -16.4056 0 0 0.954722 0
Transform: 9 | 0.942624 | 0.0934506 0.37914 0.82229 0.413955 || (37.67, 40.1, 89.39)
Not all IMP::base::Objects were freed prior to IMP unloading. This is probably a bad thing.
Atom C of residue 242
Atom CB of residue 282
Atom O of residue 506
Atom CD2 of residue 146
Atom OE2 of residue 431
Atom N of residue 269
Atom CA of residue 98
Atom CG of residue 425
Atom N of residue 356
Atom C of residue 339
Atom O of residue 167
Atom N of residue 63
GLU
GLY
Atom N of residue 586
Atom O of residue 210
Atom C of residue 299
Atom C of residue 224
Atom CZ of residue 406
Atom O of residue 526
Atom CG1 of residue 423
Atom CD2 of residue 123
Atom OE1 of residue 301
Atom OG1 of residue 203
Atom CE1 of residue 64
THR
Atom CB of residue 436
Atom C of residue 136
Atom CD1 of residue 154
Atom CG of residue 324
Atom CB of residue 482
Atom CZ of residue 414
Atom C of residue 116
Atom CB of residue 563
Atom CG1 of residue 263
Atom O of residue 158
Atom NH1 of residue 458
Atom OG of residue 595
ARG
Atom C of residue 12
Atom O of residue 468
Atom OD1 of residue 340
Atom CD of residue 496
Atom CD2 of residue 297
Atom NE of residue 140
Atom CB of residue 345
GLU
Atom CA of residue 402
Atom CA of residue 329
Atom CE1 of residue 418
VAL
Atom CD2 of residue 107
Atom N of residue 60
Atom CD1 of residue 135
Atom C of residue 108
Atom C of residue 293
Atom N of residue 552
Atom N of residue 192
Atom N of residue 601
Atom OD1 of residue 361
Atom CD of residue 454
Atom CB of residue 114
Atom N of residue 69
Atom CB of residue 669
Atom O of residue 86
Atom O of residue 356
Atom N of residue 255
Atom CB of residue 477
Atom O of residue 380
SER
Atom N of residue 173
Atom C of residue 95
Atom N of residue 421
GLN
Atom CA of residue 64
Atom CD of residue 197
Atom N of residue 335
Atom C of residue 15
Atom NE of residue 272
ASN
Atom C of residue 190
Atom CG1 of residue 568
Atom CB of residue 288
Atom CB of residue 635
Atom CZ of residue 515
Atom CE of residue 235
Atom CA of residue 416
Atom CG of residue 365
Atom CB of residue 606
LEU
HIS
Atom CD1 of residue 241
ALA
Atom N of residue 492
ALA
Atom CB of residue 45
Atom N of residue 19
Atom CA of residue 277
Atom CA of residue 410
Atom CA of residue 246
PRO
Atom CB of residue 385
Atom O of residue 211
Atom CA of residue 256
Atom C of residue 312
Atom CB of residue 317
Atom N of residue 448
Atom O of residue 272
Atom CB of residue 487
GLY
Atom CB of residue 673
Atom OE2 of residue 185
Atom C of residue 307
Atom CD2 of residue 630
Atom CG1 of residue 230
Atom O of residue 12
LEU
CYS
Atom O of residue 123
THR
VAL
GLY
Atom CG of residue 93
Atom CA of residue 219
GLY
Atom N of residue 542
Atom CG of residue 92
Atom N of residue 286
Atom CG of residue 293
Atom C of residue 69
Atom CZ of residue 248
Atom CA of residue 537
Atom CG of residue 194
Atom OH of residue 85
Atom CD1 of residue 263
GLU
Atom OG of residue 329
Atom C of residue 32
Atom CG of residue 374
Atom OG1 of residue 281
Atom CD of residue 181
Atom O of residue 370
Atom CE2 of residue 429
Atom O of residue 442
Atom O of residue 339
Atom CE1 of residue 411
Atom CB of residue 168
Atom CD of residue 531
Atom C of residue 83
Atom CB of residue 468
Atom O of residue 396
Atom N of residue 208
Atom N of residue 361
Atom N of residue 277
Atom CA of residue 18
Atom CB of residue 116
Atom C of residue 441
GLU
Atom N of residue 647
Atom CB of residue 7
Atom CG2 of residue 423
Atom CA of residue 178
Atom CB of residue 190
Atom OG1 of residue 288
Atom C of residue 214
Atom NE1 of residue 259
CYS
Atom CD1 of residue 324
Atom CA of residue 657
Atom CB of residue 416
GLU
Atom CA of residue 253
Atom CB of residue 506
ILE
Atom CG of residue 287
Atom OG of residue 61
Atom OD1 of residue 425
ALA
Atom CB of residue 167
Atom C of residue 410
Atom N of residue 27
Atom O of residue 207
Atom CZ of residue 140
Atom N of residue 75
ARG
Atom O of residue 625
Atom O of residue 163
Atom CD2 of residue 379
Atom O of residue 391
Atom N of residue 155
Atom NH2 of residue 458
Atom N of residue 386
Atom CD1 of residue 268
Atom C of residue 334
Atom CA of residue 104
Atom O of residue 307
Atom CD2 of residue 406
Atom CG of residue 45
Atom O of residue 202
Atom ND2 of residue 340
Atom CA of residue 244
Atom C of residue 129
Atom N of residue 381
Atom NE2 of residue 153
Atom C of residue 308
Atom C of residue 407
Atom CE1 of residue 521
ARG
ARG
Atom CD2 of residue 135
Chain A
Atom OG of residue 317
ILE
Atom CG1 of residue 615
Atom NE of residue 496
Atom CG2 of residue 568
Atom N of residue 397
Atom OD2 of residue 361
Atom NZ of residue 235
Atom CG of residue 114
Atom C of residue 180
Atom CA of residue 33
Atom CA of residue 351
Atom CA of residue 463
PHE
GLY
Atom CA of residue 430
Atom CA of residue 345
LEU
Atom CG of residue 620
ASN
Atom CG of residue 435
Atom CA of residue 69
Atom CG of residue 145
Atom CA of residue 350
Atom C of residue 119
Atom OE2 of residue 294
Atom O of residue 224
Atom N of residue 432
Atom CB of residue 526
Atom CG2 of residue 203
Atom CG of residue 416
Atom C of residue 263
Atom OG1 of residue 641
Atom CD1 of residue 606
Atom N of residue 87
Atom CB of residue 210
Atom CA of residue 558
Atom CA of residue 148
Atom N of residue 298
Atom CG of residue 345
Atom N of residue 159
Atom OG1 of residue 385
Atom N of residue 312
Atom OE1 of residue 197
SER
Atom N of residue 124
Atom CD1 of residue 293
Atom CA of residue 679
Atom OE1 of residue 454
Atom OG of residue 487
Atom CG of residue 669
Atom N of residue 212
Atom CA of residue 78
Atom CD of residue 567
Atom CB of residue 472
Atom CB of residue 86
Atom C of residue 406
Atom C of residue 185
Atom OE2 of residue 301
Atom C of residue 243
Atom SG of residue 477
Atom CA of residue 112
Atom N of residue 190
Atom C of residue 277
Atom CE1 of residue 207
Atom CG of residue 282
Atom C of residue 256
Atom N of residue 357
THR
Atom O of residue 15
Atom CB of residue 392
ALA
Atom CA of residue 652
Atom O of residue 108
Atom CA of residue 104
Atom O of residue 190
Atom CG2 of residue 288
Atom CA of residue 552
Atom SG of residue 635
Atom CD1 of residue 114
Atom O of residue 420
Atom CG2 of residue 281
Atom CE of residue 181
Atom CA of residue 542
Atom CA of residue 439
Atom O of residue 78
Atom C of residue 61
Atom N of residue 443
Atom CG of residue 168
Atom OE1 of residue 531
Atom N of residue 13
Atom CG of residue 436
LYS
Atom CA of residue 324
ILE
Atom O of residue 69
Atom O of residue 410
Atom CG of residue 482
Atom CD of residue 365
Atom CD of residue 194
Atom CB of residue 219
Atom OG of residue 563
Atom CA of residue 402
Atom O of residue 119
Atom CB of residue 370
Atom C of residue 294
Atom C of residue 163
Atom N of residue 371
Atom CB of residue 185
Atom N of residue 273
Atom O of residue 38
Atom O of residue 263
Atom CA of residue 159
Atom C of residue 253
Atom CA of residue 55
VAL
Atom CG of residue 591
Atom CA of residue 234
Atom OG of residue 7
Atom CE1 of residue 107
Atom OG1 of residue 673
Atom NE1 of residue 630
Atom CG2 of residue 230
Atom N of residue 124
Atom CD of residue 93
Atom CD2 of residue 85
PRO
Atom O of residue 242
Atom CB of residue 625
Atom O of residue 249
Atom OD2 of residue 70
Atom CB of residue 163
Atom CZ of residue 272
Atom CB of residue 178
Atom C of residue 679
ALA
Atom NZ of residue 243
Atom CE1 of residue 226
Atom C of residue 402
Atom O of residue 32
Atom CD1 of residue 92
Atom CA of residue 255
Atom CG of residue 142
Atom N of residue 340
THR
Atom OG1 of residue 468
Atom CB of residue 129
Atom N of residue 397
Atom C of residue 153
Atom N of residue 516
VAL
LYS
Atom CD of residue 620
Atom CB of residue 329
ALA
Atom CA of residue 269
Atom C of residue 98
Atom CD2 of residue 241
Atom CB of residue 391
Atom O of residue 180
Atom OD1 of residue 416
Atom NH2 of residue 414
Atom O of residue 95
Atom O of residue 441
Atom CG2 of residue 641
GLN
Atom CG of residue 506
Atom CB of residue 104
Atom OD2 of residue 425
Atom CG of residue 167
Atom CE2 of residue 411
Atom O of residue 136
Atom C of residue 601
Atom CG of residue 69
Atom CE2 of residue 207
Atom CE1 of residue 116
Atom C of residue 315
MET
Atom OG of residue 129
Atom CB of residue 435
Atom N of residue 330
Atom OD1 of residue 374
VAL
ASP
GLY
THR
Atom CE1 of residue 379
Atom O of residue 214
PRO
Atom CA of residue 99
Atom CE2 of residue 418
Atom CG of residue 210
Atom C of residue 351
Atom C of residue 463
Atom CA of residue 356
Atom NH1 of residue 319
Atom CD1 of residue 45
Atom CD1 of residue 615
Atom N of residue 341
Atom CB of residue 430
TYR
HIS
Atom CD2 of residue 324
Atom C of residue 657
Atom C of residue 263
GLU
Atom CD of residue 282
Atom O of residue 46
Atom CB of residue 350
Atom OG of residue 370
Atom CA of residue 199
Atom O of residue 334
Atom CA of residue 73
Atom CD1 of residue 287
Atom O of residue 611
Atom CA of residue 375
Atom C of residue 317
Atom N of residue 569
Atom CB of residue 679
Atom N of residue 244
Atom CD1 of residue 259
Atom C of residue 361
Atom CD2 of residue 268
Atom OE1 of residue 567
Atom N of residue 79
Atom CZ of residue 34
Atom CA of residue 124
Atom C of residue 301
Atom CD1 of residue 142
Atom CD1 of residue 436
Atom CB of residue 324
Atom C of residue 558
Atom CB of residue 148
ALA
Atom N of residue 564
Atom O of residue 151
Atom CB of residue 242
Atom CB of residue 119
Atom OG1 of residue 472
Atom O of residue 163
CYS
Atom CB of residue 60
Atom CA of residue 511
Atom N of residue 204
Atom N of residue 203
Atom C of residue 288
ILE
Atom CA of residue 193
Atom O of residue 312
Atom O of residue 83
Atom C of residue 112
Atom CA of residue 222
Atom CA of residue 63
Atom NZ of residue 69
Atom C of residue 235
Atom OE1 of residue 365
Atom CA of residue 366
Atom CG of residue 606
ASN
Atom CD2 of residue 114
Atom C of residue 17
Atom O of residue 308
Atom CD of residue 669
Atom ND1 of residue 439
Atom CE2 of residue 107
Atom N of residue 186
Atom N of residue 548
Atom N of residue 478
LEU
Atom NE2 of residue 454
Atom O of residue 657
Atom N of residue 47
Atom ND1 of residue 591
Atom N of residue 71
Atom C of residue 199
Atom CZ of residue 429
Atom CE1 of residue 241
Atom NH1 of residue 272
Atom CA of residue 68
Atom C of residue 287
Atom CD of residue 345
Atom CA of residue 586
Atom NE2 of residue 226
Atom O of residue 402
Atom C of residue 159
Atom C of residue 281
Atom N of residue 250
Atom C of residue 234
ALA
Atom SG of residue 526
Atom OE1 of residue 4
Atom CD2 of residue 92
Atom N of residue 424
GLN
Atom CA of residue 448
Atom CD2 of residue 293
Atom NE2 of residue 531
Atom N of residue 137
Atom CB of residue 19
Atom OG of residue 329
Atom CE1 of residue 85
Atom CE2 of residue 521
Atom O of residue 98
Atom CG of residue 60
Atom HET:HG   of residue 694
Atom C of residue 104
Atom OD1 of residue 168
Atom N of residue 39
Atom CA of residue 409
Atom NH1 of residue 140
Atom CB of residue 193
Atom CZ of residue 418
Atom CA of residue 386
Atom CG2 of residue 673
Atom N of residue 109
LYS
Atom N of residue 636
Atom NH1 of residue 248
Atom CD of residue 482
Atom NE of residue 93
Atom NE2 of residue 116
Atom C of residue 366
Atom CB of residue 81
ALA
Atom N of residue 459
Atom CA of residue 421
Atom C of residue 542
Atom N of residue 626
Atom N of residue 225
Atom OG1 of residue 86
Atom CG of residue 163
Atom CA of residue 335
Atom CE2 of residue 379
Atom CB of residue 375
Atom OH of residue 411
Atom CZ of residue 496
Atom O of residue 679
Atom O of residue 129
Atom O of residue 277
Atom CA of residue 27
Atom CB of residue 441
Atom C of residue 129
Atom N of residue 33
Atom O of residue 256
Atom O of residue 351
Atom N of residue 136
Atom CG1 of residue 140
SER
GLY
Atom CA of residue 208
Atom CA of residue 277
ASN
Atom OE1 of residue 620
Atom CG of residue 350
Atom O of residue 199
Atom N of residue 335
Atom CD2 of residue 287
Atom CA of residue 492
HIS
PRO
Atom N of residue 616
Atom CB of residue 345
Atom O of residue 287
Atom CB of residue 180
Atom OD2 of residue 416
Atom CA of residue 173
GLY
Atom N of residue 96
Atom CA of residue 501
Atom NE of residue 194
Atom OG of residue 219
Atom C of residue 99
ARG
Atom CA of residue 87
Atom CG2 of residue 385
SER
Atom CA of residue 303
Atom N of residue 313
Atom N of residue 16
ASN
Atom N of residue 215
Atom CA of residue 19
Atom NE2 of residue 435
Atom OG of residue 5
Atom O of residue 253
Atom OD2 of residue 374
Atom CA of residue 312
GLU
Atom CB of residue 307
Atom CE2 of residue 630
Atom C of residue 230
Atom CG2 of residue 468
Atom O of residue 288
Atom C of residue 409
Atom O of residue 114
Atom N of residue 309
Atom CG of residue 193
Atom CG2 of residue 472
Atom CA of residue 203
Atom CG1 of residue 13
Atom CA of residue 190
Atom CB of residue 63
Atom CE2 of residue 259
Atom CB of residue 657
Atom CA of residue 181
Atom N of residue 642
Atom O of residue 366
Atom NZ of residue 181
Atom O of residue 542
Atom C of residue 370
Atom CD of residue 506
Atom N of residue 430
Atom C of residue 425
Atom O of residue 185
Atom C of residue 511
Atom CD of residue 167
Atom CA of residue 381
Atom CA of residue 361
Atom CD2 of residue 606
Atom CA of residue 488
Atom CD of residue 587
Atom CA of residue 647
GLU
Atom N of residue 527
Atom C of residue 611
Atom OH of residue 34
ILE
Atom CD2 of residue 142
Atom C of residue 222
Atom O of residue 601
Atom N of residue 455
Atom N of residue 415
Atom O of residue 263
Atom N of residue 243
Atom CG2 of residue 104
Atom N of residue 164
Atom C of residue 492
THR
Atom C of residue 356
ASP
Atom C of residue 652
PRO
Atom CD of residue 190
Atom N of residue 288
Atom CZ of residue 207
Atom C of residue 537
Atom NH2 of residue 140
Atom N of residue 346
Atom N of residue 283
Atom C of residue 303
Atom CD2 of residue 591
Atom O of residue 234
Atom CA of residue 371
Atom CA of residue 596
Atom NH2 of residue 319
Atom OG1 of residue 178
Atom CB of residue 83
Atom CA of residue 155
Atom NH2 of residue 248
Atom N of residue 325
Atom O of residue 408
Atom CD of residue 402
Atom CZ of residue 521
Atom CA of residue 75
THR
Atom CG2 of residue 86
Atom O of residue 463
Atom C of residue 124
Atom CD2 of residue 45
Atom O of residue 104
Atom OD2 of residue 168
Atom CG of residue 430
Atom OG of residue 345
Atom C of residue 586
Atom OE1 of residue 669
Atom C of residue 55
Atom NE2 of residue 197
Atom NE2 of residue 4
Atom CZ of residue 107
Atom CG of residue 391
Atom O of residue 317
Atom CZ of residue 64
ALA
GLU
Atom CA of residue 397
SER
Atom CG2 of residue 140
Atom CE of residue 69
Atom CB of residue 199
LYS
Atom CB of residue 73
Atom CB of residue 269
Atom CG of residue 185
Atom NH2 of residue 272
Atom CA of residue 109
Atom O of residue 558
Atom O of residue 153
Atom CB of residue 277
Atom N of residue 607
Atom N of residue 386
Atom CB of residue 256
Atom CB of residue 351
ARG
LYS
PHE
Atom NH1 of residue 496
ALA
Atom O of residue 235
Atom N of residue 264
Atom CD1 of residue 119
Atom O of residue 492
Atom C of residue 335
Atom CG of residue 392
Atom C of residue 375
Atom CA of residue 340
Atom O of residue 230
Atom O of residue 652
Atom O of residue 112
Atom CG1 of residue 148
THR
Atom OE1 of residue 482
Atom CB of residue 27
Atom CB of residue 246
Atom C of residue 501
Atom C of residue 219
Atom O of residue 99
Atom CA of residue 105
Atom CD of residue 193
Atom O of residue 303
Atom CA of residue 432
Atom N of residue 674
Atom C of residue 596
Atom CA of residue 273
Atom CA of residue 124
Atom CZ of residue 93
Atom CD1 of residue 408
Atom CB of residue 69
Atom CB of residue 402
Atom CB of residue 253
Atom CB of residue 366
Atom CA of residue 330
Atom O of residue 281
Atom CB of residue 542
Atom O of residue 76
Atom CD of residue 210
Atom CG of residue 439
Atom N of residue 186
Atom CE3 of residue 630
Atom O of residue 124
GLY
Atom N of residue 469
Atom N of residue 289
Atom CB of residue 173
Atom CA of residue 159
Atom N of residue 488
Atom O of residue 55
GLY
Atom CE1 of residue 293
LEU
Atom CA of residue 397
Atom CD1 of residue 295
Atom O of residue 159
Atom C of residue 181
Atom CB of residue 386
ARG
Atom CE of residue 506
Atom OE2 of residue 567
Atom N of residue 288
Atom O of residue 425
Atom O of residue 301
Atom O of residue 511
Atom CA of residue 443
Atom NE of residue 167
Atom CD2 of residue 436
Atom CE3 of residue 259
Atom C of residue 416
Atom CB of residue 40
SER
Atom CD of residue 350
Atom CA of residue 212
CYS
PRO
Atom CD of residue 163
Atom CA of residue 357
HG
GLN
Atom CG1 of residue 104
Atom CG of residue 269
Atom N of residue 357
Atom C of residue 45
Atom OG1 of residue 324
Atom C of residue 552
Atom ND1 of residue 381
Atom CG2 of residue 27
Atom N of residue 321
Atom O of residue 537
Atom OE2 of residue 365
Atom N of residue 247
Atom CZ of residue 194
SER
Atom C of residue 647
Atom ND1 of residue 391
Atom N of residue 318
Atom O of residue 596
Atom N of residue 320
Atom CG2 of residue 178
Atom N of residue 532
Atom O of residue 232
TYR
Atom N of residue 77
Atom C of residue 4
PRO
Atom CB of residue 463
Atom CD1 of residue 392
Atom C of residue 448
Atom O of residue 361
Atom CD of residue 430
Atom CA of residue 516
Atom OE2 of residue 620
Atom O of residue 586
Atom CD2 of residue 435
CYS
Atom CE2 of residue 241
Atom CA of residue 424
Atom N of residue 305
Atom CA of residue 569
Atom N of residue 141
Atom C of residue 155
Atom N of residue 70
Atom CG1 of residue 180
Atom N of residue 227
Atom CA of residue 264
Atom CD2 of residue 295
Atom CB of residue 87
Atom C of residue 75
Atom CA of residue 79
Atom CG2 of residue 73
Atom C of residue 197
Atom C of residue 92
Atom CB of residue 492
Atom CA of residue 204
Atom O of residue 222
Atom CB of residue 558
Atom CA of residue 286
Atom N of residue 154
Atom CG2 of residue 148
Atom CB of residue 601
Atom C of residue 361
Atom C of residue 140
VAL
Atom C of residue 329
SER
Atom OG of residue 48
Atom C of residue 312
Atom CB of residue 212
Atom CB of residue 303
Atom CE1 of residue 65
GLN
Atom CB of residue 98
Atom CZ of residue 379
Atom N of residue 1
Atom C of residue 397
Atom CA of residue 341
Atom N of residue 249
Atom N of residue 236
Atom CG1 of residue 441
Atom CD2 of residue 408
SER
Atom CA of residue 459
Atom OE1 of residue 210
Atom CG of residue 119
Atom CB of residue 234
Atom N of residue 87
Atom NZ of residue 611
Atom CB of residue 124
Atom N of residue 65
Atom CA of residue 616
Atom CB of residue 112
Atom CB of residue 190
Atom CG2 of residue 19
Atom OG of residue 63
Atom C of residue 345
Atom C of residue 207
Atom CB of residue 537
Atom N of residue 117
LEU
Atom O of residue 129
LYS
Atom OE2 of residue 669
Atom O of residue 370
Atom N of residue 407
Atom CA of residue 478
Atom CA of residue 636
Atom CD of residue 657
Atom CE1 of residue 114
Atom C of residue 286
Atom OG1 of residue 95
Atom CG of residue 69
Atom N of residue 282
Atom C of residue 39
Atom N of residue 419
Atom CG of residue 199
Atom CB of residue 439
Atom N of residue 302
Atom CE1 of residue 142
Atom N of residue 437
Atom NH2 of residue 496
Atom N of residue 680
Atom CG